data_r4r9csf
# 
_audit.revision_id    1_0
_audit.creation_date  2015-03-11
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4r9c 
_cell.length_a      36.0880 
_cell.length_b      57.5520 
_cell.length_c      62.3550 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9792 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.044 
_diffrn_reflns.pdbx_d_res_low    42.292 
_diffrn_reflns.limit_h_max       34 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       55 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       59 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            62419 
_diffrn_reflns.pdbx_number_obs   50768 
# 
_entry.id   4r9c 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4r9c 
_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   61.103   5.1005  450.100   72.413  450.100   72.413  450.100   72.413   61.103   5.1005   61.103   5.1005 -0.000000 0.000000 
1 1 1    0    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0    8 o   60.861   5.0793  446.600   71.828  446.600   71.828  446.600   71.828   60.861   5.0793   60.861   5.0793 -0.000000 0.000000 
1 1 1    0    0   10 o   96.706   7.6461  1126.40  172.095  1126.40  172.095  1126.40  172.095   96.706   7.6461   96.706   7.6461 -0.000000 0.000000 
1 1 1    0    0   12 o  106.221   8.3407  1358.20  206.238  1358.20  206.238  1358.20  206.238  106.221   8.3407  106.221   8.3407 -0.000000 0.000000 
1 1 1    0    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   16 o  255.898   19.623  7901.90  1169.71  7901.90  1169.71  7901.90  1169.71  255.898   19.623  255.898   19.623 0.000000 0.000000 
1 1 1    0    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   22 o   14.513   2.6957   27.300   8.3021   27.300   8.3021   27.300   8.3021   14.513   2.6957   14.513   2.6957 -0.000000 0.000000 
1 1 1    0    0   24 o  171.708   13.290  3565.20  531.423  3565.20  531.423  3565.20  531.423  171.708   13.290  171.708   13.290 0.000000 0.000000 
1 1 1    0    0   26 o  200.820   15.547  4895.40  727.078  4895.40  727.078  4895.40  727.078  200.820   15.547  200.820   15.547 -0.000000 0.000000 
1 1 1    0    0   28 o  277.401   21.654  9453.00  1398.52  9453.00  1398.52  9453.00  1398.52  277.401   21.654  277.401   21.654 0.000000 0.000000 
1 1 1    0    0   30 o   10.598   2.8923   15.900   6.2577   15.900   6.2577   15.900   6.2577   10.598   2.8923   10.598   2.8923 0.000000 0.000000 
1 1 1    0    0   32 o  200.649   15.710  4937.40  733.849  4937.40  733.849  4937.40  733.849  200.649   15.710  200.649   15.710 0.000000 0.000000 
1 1 1    0    0   34 o   4.4635   2.3491   3.4000   3.2869   3.4000   3.2869   3.4000   3.2869   4.4635   2.3491   4.4635   2.3491 0.000000 0.000000 
1 1 1    0    0   36 o   57.663   4.8853  402.800   65.420  402.800   65.420  402.800   65.420   57.663   4.8853   57.663   4.8853 0.000000 0.000000 
1 1 1    0    0   38 o   36.913   3.5712  165.900   30.459  165.900   30.459  165.900   30.459   36.913   3.5712   36.913   3.5712 -0.000000 0.000000 
1 1 1    0    0   40 o   29.269   3.1690  105.000   21.252  105.000   21.252  105.000   21.252   29.269   3.1690   29.269   3.1690 0.000000 0.000000 
1 1 1    0    0   42 o   37.540   3.6021  172.000   31.256  172.000   31.256  172.000   31.256   37.540   3.6021   37.540   3.6021 -0.000000 0.000000 
1 1 1    0    0   44 o   73.257   6.1484  664.700  104.635  664.700  104.635  664.700  104.635   73.257   6.1484   73.257   6.1484 -0.000000 0.000000 
1 1 1    0    0   46 o   42.838   4.0336  225.700   39.971  225.700   39.971  225.700   39.971   42.838   4.0336   42.838   4.0336 -0.000000 0.000000 
1 1 1    0    0   48 o   35.181   3.5081  152.400   28.479  152.400   28.479  152.400   28.479   35.181   3.5081   35.181   3.5081 -0.000000 0.000000 
1 1 1    0    0   50 o   49.818   4.5248  309.200   52.219  309.200   52.219  309.200   52.219   49.818   4.5248   49.818   4.5248 -0.000000 0.000000 
1 1 1    0    0   52 o   35.233   3.5298  154.600   28.691  154.600   28.691  154.600   28.691   35.233   3.5298   35.233   3.5298 0.000000 0.000000 
1 1 1    0    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    3 o   70.257   5.7300  594.800   93.606  594.800   93.606  594.800   93.606   70.257   5.7300   70.257   5.7300 0.000000 0.000000 
1 1 1    0    1    4 o  171.825   13.296  3563.20  532.049  3563.20  532.049  3563.20  532.049  171.825   13.296  171.825   13.296 0.000000 0.000000 
1 1 1    0    1    5 o  157.338   12.209  2986.00  447.332  2986.00  447.332  2986.00  447.332  157.338   12.209  157.338   12.209 0.000000 0.000000 
1 1 1    0    1    6 o  104.485   8.1999  1314.80  199.447  1314.80  199.447  1314.80  199.447  104.485   8.1999  104.485   8.1999 -0.000000 0.000000 
1 1 1    0    1    7 o  123.271   9.5957  1831.30  275.426  1831.30  275.426  1831.30  275.426  123.271   9.5957  123.271   9.5957 0.000000 0.000000 
1 1 1    0    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1    9 o   93.172   7.3811  1046.70  160.048  1046.70  160.048  1046.70  160.048   93.172   7.3811   93.172   7.3811 -0.000000 0.000000 
1 1 1    0    1   10 o  155.790   12.079  2938.10  438.206  2938.10  438.206  2938.10  438.206  155.790   12.079  155.790   12.079 0.000000 0.000000 
1 1 1    0    1   11 o  198.363   15.339  4777.10  708.594  4777.10  708.594  4777.10  708.594  198.363   15.339  198.363   15.339 0.000000 0.000000 
1 1 1    0    1   12 o  146.960   11.380  2606.60  389.462  2606.60  389.462  2606.60  389.462  146.960   11.380  146.960   11.380 -0.000000 0.000000 
1 1 1    0    1   13 o  112.863   8.8205  1534.30  231.773  1534.30  231.773  1534.30  231.773  112.863   8.8205  112.863   8.8205 -0.000000 0.000000 
1 1 1    0    1   14 o  124.649   9.6946  1871.30  281.381  1871.30  281.381  1871.30  281.381  124.649   9.6946  124.649   9.6946 0.000000 0.000000 
1 1 1    0    1   15 o   83.273   6.6529  835.100  128.900  835.100  128.900  835.100  128.900   83.273   6.6529   83.273   6.6529 -0.000000 0.000000 
1 1 1    0    1   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   18 o  162.548   12.553  3188.90  475.209  3188.90  475.209  3188.90  475.209  162.548   12.553  162.548   12.553 0.000000 0.000000 
1 1 1    0    1   19 o  191.828   14.797  4453.60  661.078  4453.60  661.078  4453.60  661.078  191.828   14.797  191.828   14.797 0.000000 0.000000 
1 1 1    0    1   20 o  147.194   11.408  2617.40  391.041  2617.40  391.041  2617.40  391.041  147.194   11.408  147.194   11.408 0.000000 0.000000 
1 1 1    0    1   21 o  427.090   34.493 23184.60  3426.43 23184.60  3426.43 23184.60  3426.43  427.090   34.493  427.090   34.493 -0.000000 0.000000 
1 1 1    0    1   22 f  111.845   8.7687  1510.50  228.312  1510.50  228.312  1510.50  228.312  111.845   8.7687  111.845   8.7687 0.000000 0.000000 
1 1 1    0    1   23 o  288.464   22.731 10338.70  1526.26 10338.70  1526.26 10338.70  1526.26  288.464   22.731  288.464   22.731 0.000000 0.000000 
1 1 1    0    1   24 o  188.132   14.643  4318.50  641.467  4318.50  641.467  4318.50  641.467  188.132   14.643  188.132   14.643 0.000000 0.000000 
1 1 1    0    1   25 o   71.561   5.8282  618.200   96.983  618.200   96.983  618.200   96.983   71.561   5.8282   71.561   5.8282 -0.000000 0.000000 
1 1 1    0    1   26 o   71.952   5.8575  625.100   98.005  625.100   98.005  625.100   98.005   71.952   5.8575   71.952   5.8575 0.000000 0.000000 
1 1 1    0    1   27 o  266.115   21.116  8852.00  1307.71  8852.00  1307.71  8852.00  1307.71  266.115   21.116  266.115   21.116 -0.000000 0.000000 
1 1 1    0    1   28 o   32.274   3.2500  126.800   24.192  126.800   24.192  126.800   24.192   32.274   3.2500   32.274   3.2500 0.000000 0.000000 
1 1 1    0    1   29 o  115.417   9.0745  1615.40  243.800  1615.40  243.800  1615.40  243.800  115.417   9.0745  115.417   9.0745 -0.000000 0.000000 
1 1 1    0    1   30 o   14.086   2.6601   25.800   7.9274   25.800   7.9274   25.800   7.9274   14.086   2.6601   14.086   2.6601 -0.000000 0.000000 
1 1 1    0    1   31 o   44.399   3.9798  238.800   40.954  238.800   40.954  238.800   40.954   44.399   3.9798   44.399   3.9798 -0.000000 0.000000 
1 1 1    0    1   32 o  101.353   8.0492  1248.70  189.847  1248.70  189.847  1248.70  189.847  101.353   8.0492  101.353   8.0492 -0.000000 0.000000 
1 1 1    0    1   33 o   48.293   4.2396  282.700   47.490  282.700   47.490  282.700   47.490   48.293   4.2396   48.293   4.2396 0.000000 0.000000 
1 1 1    0    1   34 o   37.299   3.5452  169.200   30.576  169.200   30.576  169.200   30.576   37.299   3.5452   37.299   3.5452 0.000000 0.000000 
1 1 1    0    1   35 o   57.395   4.8731  400.300   64.951  400.300   64.951  400.300   64.951   57.395   4.8731   57.395   4.8731 -0.000000 0.000000 
1 1 1    0    1   36 o  116.446   9.3972  1687.80  254.524  1687.80  254.524  1687.80  254.524  116.446   9.3972  116.446   9.3972 0.000000 0.000000 
1 1 1    0    1   37 o   5.9857   2.6412   6.1000   3.9214   6.1000   3.9214   6.1000   3.9214   5.9857   2.6412   5.9857   2.6412 0.000000 0.000000 
1 1 1    0    1   38 o   41.178   3.8468  207.000   36.654  207.000   36.654  207.000   36.654   41.178   3.8468   41.178   3.8468 0.000000 0.000000 
1 1 1    0    1   39 o   19.941   2.7184   49.700   12.127   49.700   12.127   49.700   12.127   19.941   2.7184   19.941   2.7184 0.000000 0.000000 
1 1 1    0    1   40 o   18.849   2.7287   44.700   11.405   44.700   11.405   44.700   11.405   18.849   2.7287   18.849   2.7287 -0.000000 0.000000 
1 1 1    0    1   41 o   2.4424   1.5726   0.0000   2.0886   0.0000   2.0886   0.0000   2.0886   2.4424   1.5726   2.4424   1.5726 -0.000000 0.000000 
1 1 1    0    1   42 o   12.781   2.8208   22.000   7.4467   22.000   7.4467   22.000   7.4467   12.781   2.8208   12.781   2.8208 -0.000000 0.000000 
1 1 1    0    1   43 o   10.216   2.8725   15.000   5.9985   15.000   5.9985   15.000   5.9985   10.216   2.8725   10.216   2.8725 -0.000000 0.000000 
1 1 1    0    1   44 f   17.448   2.7596   38.900   10.519   38.900   10.519   38.900   10.519   17.448   2.7596   17.448   2.7596 0.000000 0.000000 
1 1 1    0    1   45 o   6.3945   2.7045   6.9000   4.1302   6.9000   4.1302   6.9000   4.1302   6.3945   2.7045   6.3945   2.7045 0.000000 0.000000 
1 1 1    0    1   46 o   37.112   3.6158  171.200   30.996  171.200   30.996  171.200   30.996   37.112   3.6158   37.112   3.6158 0.000000 0.000000 
1 1 1    0    1   47 o   9.4729   2.9418   13.400   5.7642   13.400   5.7642   13.400   5.7642   9.4729   2.9418   9.4729   2.9418 0.000000 0.000000 
1 1 1    0    1   48 o   43.653   4.0925  239.100   41.333  239.100   41.333  239.100   41.333   43.653   4.0925   43.653   4.0925 0.000000 0.000000 
1 1 1    0    1   49 o  ?   ?   -4.5000   0.7466  -4.5000   0.7466  -4.5000   0.7466  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0    1   50 o   1.5866   1.1247  -2.3000   1.7610  -2.3000   1.7610  -2.3000   1.7610   1.5866   1.1247   1.5866   1.1247 0.000000 0.000000 
1 1 1    0    1   51 o   10.741   2.9624   16.700   6.4976   16.700   6.4976   16.700   6.4976   10.741   2.9624   10.741   2.9624 -0.000000 0.000000 
1 1 1    0    1   52 o   5.1857   2.6155   4.8000   3.9628   4.8000   3.9628   4.8000   3.9628   5.1857   2.6155   5.1857   2.6155 -0.000000 0.000000 
1 1 1    0    1   53 o   10.063   3.3370   15.800   7.0542   15.800   7.0542   15.800   7.0542   10.063   3.3370   10.063   3.3370 0.000000 0.000000 
1 1 1    0    1   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    1 o   70.605   5.7561  600.700   94.500  600.700   94.500  600.700   94.500   70.605   5.7561   70.605   5.7561 -0.000000 0.000000 
1 1 1    0    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    3 o  125.665   9.7866  1902.60  286.357  1902.60  286.357  1902.60  286.357  125.665   9.7866  125.665   9.7866 -0.000000 0.000000 
1 1 1    0    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    6 o   41.254   3.7689  206.000   36.011  206.000   36.011  206.000   36.011   41.254   3.7689   41.254   3.7689 -0.000000 0.000000 
1 1 1    0    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2    8 o  172.162   13.306  3584.80  533.489  3584.80  533.489  3584.80  533.489  172.162   13.306  172.162   13.306 -0.000000 0.000000 
1 1 1    0    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   10 o  177.203   13.729  3808.70  566.554  3808.70  566.554  3808.70  566.554  177.203   13.729  177.203   13.729 -0.000000 0.000000 
1 1 1    0    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   13 o  252.646   19.469  7739.60  1145.61  7739.60  1145.61  7739.60  1145.61  252.646   19.469  252.646   19.469 0.000000 0.000000 
1 1 1    0    2   14 o  105.792   8.2953  1347.60  204.298  1347.60  204.298  1347.60  204.298  105.792   8.2953  105.792   8.2953 -0.000000 0.000000 
1 1 1    0    2   15 o  165.178   12.736  3290.00  489.977  3290.00  489.977  3290.00  489.977  165.178   12.736  165.178   12.736 0.000000 0.000000 
1 1 1    0    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   17 o  295.023   22.762 10594.90  1563.99 10594.90  1563.99 10594.90  1563.99  295.023   22.762  295.023   22.762 -0.000000 0.000000 
1 1 1    0    2   18 o   9.6015   2.7205   13.200   5.3425   13.200   5.3425   13.200   5.3425   9.6015   2.7205   9.6015   2.7205 -0.000000 0.000000 
1 1 1    0    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   21 o   34.356   3.3611  143.400   26.669  143.400   26.669  143.400   26.669   34.356   3.3611   34.356   3.3611 -0.000000 0.000000 
1 1 1    0    2   22 o  236.925   18.443  6877.70  1017.43  6877.70  1017.43  6877.70  1017.43  236.925   18.443  236.925   18.443 0.000000 0.000000 
1 1 1    0    2   23 o   43.831   3.9354  232.500   39.977  232.500   39.977  232.500   39.977   43.831   3.9354   43.831   3.9354 0.000000 0.000000 
1 1 1    0    2   24 o   24.539   2.8648   74.000   16.009   74.000   16.009   74.000   16.009   24.539   2.8648   24.539   2.8648 -0.000000 0.000000 
1 1 1    0    2   25 o   74.058   6.0062  662.100  103.445  662.100  103.445  662.100  103.445   74.058   6.0062   74.058   6.0062 -0.000000 0.000000 
1 1 1    0    2   26 o  145.777   11.370  2582.20  385.899  2582.20  385.899  2582.20  385.899  145.777   11.370  145.777   11.370 0.000000 0.000000 
1 1 1    0    2   27 o   84.540   6.7650  863.400  133.061  863.400  133.061  863.400  133.061   84.540   6.7650   84.540   6.7650 0.000000 0.000000 
1 1 1    0    2   28 o  257.224   20.426  8269.90  1222.67  8269.90  1222.67  8269.90  1222.67  257.224   20.426  257.224   20.426 -0.000000 0.000000 
1 1 1    0    2   29 o  105.626   8.3445  1351.50  205.142  1351.50  205.142  1351.50  205.142  105.626   8.3445  105.626   8.3445 -0.000000 0.000000 
1 1 1    0    2   30 o   33.323   3.3040  135.100   25.413  135.100   25.413  135.100   25.413   33.323   3.3040   33.323   3.3040 0.000000 0.000000 
1 1 1    0    2   31 o  224.723   17.955  6339.90  938.770  6339.90  938.770  6339.90  938.770  224.723   17.955  224.723   17.955 0.000000 0.000000 
1 1 1    0    2   32 o   38.997   3.6406  184.600   32.853  184.600   32.853  184.600   32.853   38.997   3.6406   38.997   3.6406 -0.000000 0.000000 
1 1 1    0    2   33 o  113.544   9.0154  1576.70  238.213  1576.70  238.213  1576.70  238.213  113.544   9.0154  113.544   9.0154 0.000000 0.000000 
1 1 1    0    2   34 f   51.766   4.4772  325.100   53.787  325.100   53.787  325.100   53.787   51.766   4.4772   51.766   4.4772 0.000000 0.000000 
1 1 1    0    2   35 o   13.160   2.7083   22.900   7.4336   22.900   7.4336   22.900   7.4336   13.160   2.7083   13.160   2.7083 0.000000 0.000000 
1 1 1    0    2   36 o   23.410   2.8353   67.700   15.062   67.700   15.062   67.700   15.062   23.410   2.8353   23.410   2.8353 -0.000000 0.000000 
1 1 1    0    2   37 o   36.574   3.5122  163.200   29.691  163.200   29.691  163.200   29.691   36.574   3.5122   36.574   3.5122 0.000000 0.000000 
1 1 1    0    2   38 o   48.190   4.2649  283.300   47.658  283.300   47.658  283.300   47.658   48.190   4.2649   48.190   4.2649 -0.000000 0.000000 
1 1 1    0    2   39 o   32.565   3.2811  129.800   24.644  129.800   24.644  129.800   24.644   32.565   3.2811   32.565   3.2811 0.000000 0.000000 
1 1 1    0    2   40 o   2.8465   1.6998   1.0000   2.0218   1.0000   2.0218   1.0000   2.0218   2.8465   1.6998   2.8465   1.6998 -0.000000 0.000000 
1 1 1    0    2   41 o   9.7767   2.8693   13.900   5.7548   13.900   5.7548   13.900   5.7548   9.7767   2.8693   9.7767   2.8693 0.000000 0.000000 
1 1 1    0    2   42 o   23.157   2.8367   66.600   14.889   66.600   14.889   66.600   14.889   23.157   2.8367   23.157   2.8367 0.000000 0.000000 
1 1 1    0    2   43 o   50.933   4.5168  321.100   53.341  321.100   53.341  321.100   53.341   50.933   4.5168   50.933   4.5168 0.000000 0.000000 
1 1 1    0    2   44 o   15.323   2.7377   30.500   8.9641   30.500   8.9641   30.500   8.9641   15.323   2.7377   15.323   2.7377 -0.000000 0.000000 
1 1 1    0    2   45 o   27.066   3.0571   91.100   18.896   91.100   18.896   91.100   18.896   27.066   3.0571   27.066   3.0571 0.000000 0.000000 
1 1 1    0    2   46 o  ?   ?   -3.5000   0.6174  -3.5000   0.6174  -3.5000   0.6174  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0    2   47 o   19.357   2.8068   47.600   12.045   47.600   12.045   47.600   12.045   19.357   2.8068   19.357   2.8068 -0.000000 0.000000 
1 1 1    0    2   48 o   6.0780   2.7364   6.4000   4.2063   6.4000   4.2063   6.4000   4.2063   6.0780   2.7364   6.0780   2.7364 0.000000 0.000000 
1 1 1    0    2   49 o   10.317   2.9487   15.500   6.2267   15.500   6.2267   15.500   6.2267   10.317   2.9487   10.317   2.9487 0.000000 0.000000 
1 1 1    0    2   50 o   7.5601   2.9408   9.4000   5.0037   9.4000   5.0037   9.4000   5.0037   7.5601   2.9408   7.5601   2.9408 -0.000000 0.000000 
1 1 1    0    2   51 o   27.245   3.1093   93.900   19.330   93.900   19.330   93.900   19.330   27.245   3.1093   27.245   3.1093 0.000000 0.000000 
1 1 1    0    2   52 o   9.2578   3.0231   13.200   5.8534   13.200   5.8534   13.200   5.8534   9.2578   3.0231   9.2578   3.0231 -0.000000 0.000000 
1 1 1    0    2   53 o   1.8781   1.3390  -3.8000   2.6298  -3.8000   2.6298  -3.8000   2.6298   1.8781   1.3390   1.8781   1.3390 0.000000 0.000000 
1 1 1    0    2   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    3 o  105.594   8.2962  1342.90  203.925  1342.90  203.925  1342.90  203.925  105.594   8.2962  105.594   8.2962 -0.000000 0.000000 
1 1 1    0    3    4 o  195.575   15.117  4621.80  688.530  4621.80  688.530  4621.80  688.530  195.575   15.117  195.575   15.117 0.000000 0.000000 
1 1 1    0    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    7 o   35.981   3.4540  157.100   28.726  157.100   28.726  157.100   28.726   35.981   3.4540   35.981   3.4540 0.000000 0.000000 
1 1 1    0    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   11 o  156.811   12.144  2972.40  443.487  2972.40  443.487  2972.40  443.487  156.811   12.144  156.811   12.144 0.000000 0.000000 
1 1 1    0    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   14 o   11.738   2.6814   18.600   6.4754   18.600   6.4754   18.600   6.4754   11.738   2.6814   11.738   2.6814 0.000000 0.000000 
1 1 1    0    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   16 o  170.237   13.129  3496.40  520.572  3496.40  520.572  3496.40  520.572  170.237   13.129  170.237   13.129 0.000000 0.000000 
1 1 1    0    3   17 o  262.776   20.250  8383.80  1239.36  8383.80  1239.36  8383.80  1239.36  262.776   20.250  262.776   20.250 0.000000 0.000000 
1 1 1    0    3   18 o  316.188   24.498 12221.80  1803.88 12221.80  1803.88 12221.80  1803.88  316.188   24.498  316.188   24.498 -0.000000 0.000000 
1 1 1    0    3   19 o   74.090   6.0024  661.600  103.427  661.600  103.427  661.600  103.427   74.090   6.0024   74.090   6.0024 -0.000000 0.000000 
1 1 1    0    3   20 f  272.449   21.165  9087.00  1342.74  9087.00  1342.74  9087.00  1342.74  272.449   21.165  272.449   21.165 0.000000 0.000000 
1 1 1    0    3   21 f  153.345   11.896  2845.80  424.811  2845.80  424.811  2845.80  424.811  153.345   11.896  153.345   11.896 -0.000000 0.000000 
1 1 1    0    3   22 o  126.029   9.8383  1920.10  288.684  1920.10  288.684  1920.10  288.684  126.029   9.8383  126.029   9.8383 0.000000 0.000000 
1 1 1    0    3   23 o   78.183   6.3066  737.600  114.689  737.600  114.689  737.600  114.689   78.183   6.3066   78.183   6.3066 0.000000 0.000000 
1 1 1    0    3   24 o  216.934   16.938  5773.90  855.476  5773.90  855.476  5773.90  855.476  216.934   16.938  216.934   16.938 0.000000 0.000000 
1 1 1    0    3   25 o   76.263   6.1740  702.200  109.508  702.200  109.508  702.200  109.508   76.263   6.1740   76.263   6.1740 0.000000 0.000000 
1 1 1    0    3   26 o   99.763   7.9080  1203.40  183.601  1203.40  183.601  1203.40  183.601   99.763   7.9080   99.763   7.9080 -0.000000 0.000000 
1 1 1    0    3   27 o  190.654   14.905  4455.70  661.582  4455.70  661.582  4455.70  661.582  190.654   14.905  190.654   14.905 0.000000 0.000000 
1 1 1    0    3   28 o   3.0877   1.7778   1.4000   2.0799   1.4000   2.0799   1.4000   2.0799   3.0877   1.7778   3.0877   1.7778 0.000000 0.000000 
1 1 1    0    3   29 o   92.182   7.3406  1028.00  157.455  1028.00  157.455  1028.00  157.455   92.182   7.3406   92.182   7.3406 0.000000 0.000000 
1 1 1    0    3   30 o   66.309   5.4683  531.500   84.282  531.500   84.282  531.500   84.282   66.309   5.4683   66.309   5.4683 0.000000 0.000000 
1 1 1    0    3   31 o   47.917   4.2142  278.000   46.835  278.000   46.835  278.000   46.835   47.917   4.2142   47.917   4.2142 -0.000000 0.000000 
1 1 1    0    3   32 o   9.8496   2.7901   13.900   5.6207   13.900   5.6207   13.900   5.6207   9.8496   2.7901   9.8496   2.7901 -0.000000 0.000000 
1 1 1    0    3   33 f   18.241   2.6779   41.800   10.806   41.800   10.806   41.800   10.806   18.241   2.6779   18.241   2.6779 0.000000 0.000000 
1 1 1    0    3   34 o   74.824   6.1121  680.800  106.334  680.800  106.334  680.800  106.334   74.824   6.1121   74.824   6.1121 -0.000000 0.000000 
1 1 1    0    3   35 o  110.557   8.8750  1509.00  228.262  1509.00  228.262  1509.00  228.262  110.557   8.8750  110.557   8.8750 -0.000000 0.000000 
1 1 1    0    3   36 o   73.330   6.0446  657.100  103.032  657.100  103.032  657.100  103.032   73.330   6.0446   73.330   6.0446 -0.000000 0.000000 
1 1 1    0    3   37 o   6.5870   2.7161   7.2000   4.1868   7.2000   4.1868   7.2000   4.1868   6.5870   2.7161   6.5870   2.7161 -0.000000 0.000000 
1 1 1    0    3   38 o   22.520   2.8246   62.900   14.380   62.900   14.380   62.900   14.380   22.520   2.8246   22.520   2.8246 0.000000 0.000000 
1 1 1    0    3   39 o  105.680   8.6822  1407.00  213.299  1407.00  213.299  1407.00  213.299  105.680   8.6822  105.680   8.6822 -0.000000 0.000000 
1 1 1    0    3   40 o   35.289   3.4436  152.400   28.068  152.400   28.068  152.400   28.068   35.289   3.4436   35.289   3.4436 -0.000000 0.000000 
1 1 1    0    3   41 o   35.496   3.4580  154.400   28.353  154.400   28.353  154.400   28.353   35.496   3.4580   35.496   3.4580 -0.000000 0.000000 
1 1 1    0    3   42 o   48.814   4.3591  293.400   49.326  293.400   49.326  293.400   49.326   48.814   4.3591   48.814   4.3591 0.000000 0.000000 
1 1 1    0    3   43 o   15.215   2.7055   30.000   8.8039   30.000   8.8039   30.000   8.8039   15.215   2.7055   15.215   2.7055 -0.000000 0.000000 
1 1 1    0    3   44 o   32.554   3.3120  131.000   24.856  131.000   24.856  131.000   24.856   32.554   3.3120   32.554   3.3120 0.000000 0.000000 
1 1 1    0    3   45 o   25.051   2.9497   78.200   16.814   78.200   16.814   78.200   16.814   25.051   2.9497   25.051   2.9497 -0.000000 0.000000 
1 1 1    0    3   46 o   7.7084   2.8542   9.5000   4.8207   9.5000   4.8207   9.5000   4.8207   7.7084   2.8542   7.7084   2.8542 0.000000 0.000000 
1 1 1    0    3   47 o   26.912   3.0697   90.400   18.851   90.400   18.851   90.400   18.851   26.912   3.0697   26.912   3.0697 -0.000000 0.000000 
1 1 1    0    3   48 o   1.7095   1.1748  -1.1000   1.5443  -1.1000   1.5443  -1.1000   1.5443   1.7095   1.1748   1.7095   1.1748 -0.000000 0.000000 
1 1 1    0    3   49 o   35.973   3.5819  162.300   29.734  162.300   29.734  162.300   29.734   35.973   3.5819   35.973   3.5819 -0.000000 0.000000 
1 1 1    0    3   50 o   7.6484   2.8928   9.5000   4.8988   9.5000   4.8988   9.5000   4.8988   7.6484   2.8928   7.6484   2.8928 -0.000000 0.000000 
1 1 1    0    3   51 o   42.678   4.1141  233.900   40.577  233.900   40.577  233.900   40.577   42.678   4.1141   42.678   4.1141 0.000000 0.000000 
1 1 1    0    3   52 o   7.4441   2.9193   9.2000   4.9148   9.2000   4.9148   9.2000   4.9148   7.4441   2.9193   7.4441   2.9193 -0.000000 0.000000 
1 1 1    0    3   53 o   12.126   3.1536   21.100   7.8035   21.100   7.8035   21.100   7.8035   12.126   3.1536   12.126   3.1536 -0.000000 0.000000 
1 1 1    0    3   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    1 o  189.505   14.652  4337.90  646.644  4337.90  646.644  4337.90  646.644  189.505   14.652  189.505   14.652 0.000000 0.000000 
1 1 1    0    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    4 o   13.646   2.6391   24.300   7.5884   24.300   7.5884   24.300   7.5884   13.646   2.6391   13.646   2.6391 0.000000 0.000000 
1 1 1    0    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4    6 o  136.403   10.604  2243.80  336.809  2243.80  336.809  2243.80  336.809  136.403   10.604  136.403   10.604 0.000000 0.000000 
1 1 1    0    4    7 o   92.637   7.3481  1034.20  158.411  1034.20  158.411  1034.20  158.411   92.637   7.3481   92.637   7.3481 0.000000 0.000000 
1 1 1    0    4    8 o  222.652   17.267  6039.10  895.287  6039.10  895.287  6039.10  895.287  222.652   17.267  222.652   17.267 -0.000000 0.000000 
1 1 1    0    4    9 o  343.278   27.225 14696.30  2174.94 14696.30  2174.94 14696.30  2174.94  343.278   27.225  343.278   27.225 0.000000 0.000000 
1 1 1    0    4   10 o  183.675   14.234  4091.50  608.823  4091.50  608.823  4091.50  608.823  183.675   14.234  183.675   14.234 0.000000 0.000000 
1 1 1    0    4   11 o   14.546   2.6263   27.300   8.1477   27.300   8.1477   27.300   8.1477   14.546   2.6263   14.546   2.6263 -0.000000 0.000000 
1 1 1    0    4   12 o   47.603   4.1770  273.800   46.121  273.800   46.121  273.800   46.121   47.603   4.1770   47.603   4.1770 -0.000000 0.000000 
1 1 1    0    4   13 o   34.939   3.3905  148.200   27.368  148.200   27.368  148.200   27.368   34.939   3.3905   34.939   3.3905 -0.000000 0.000000 
1 1 1    0    4   14 o  238.098   18.305  6859.70  1015.20  6859.70  1015.20  6859.70  1015.20  238.098   18.305  238.098   18.305 -0.000000 0.000000 
1 1 1    0    4   15 o  227.575   17.505  6265.10  927.876  6265.10  927.876  6265.10  927.876  227.575   17.505  227.575   17.505 0.000000 0.000000 
1 1 1    0    4   16 o  208.006   16.007  5230.20  775.513  5230.20  775.513  5230.20  775.513  208.006   16.007  208.006   16.007 0.000000 0.000000 
1 1 1    0    4   17 o   64.652   5.3371  503.900   80.202  503.900   80.202  503.900   80.202   64.652   5.3371   64.652   5.3371 0.000000 0.000000 
1 1 1    0    4   18 o  223.410   17.225  6050.30  896.262  6050.30  896.262  6050.30  896.262  223.410   17.225  223.410   17.225 -0.000000 0.000000 
1 1 1    0    4   19 o  260.860   20.194  8297.80  1226.77  8297.80  1226.77  8297.80  1226.77  260.860   20.194  260.860   20.194 0.000000 0.000000 
1 1 1    0    4   20 o  239.366   18.551  6987.30  1034.06  6987.30  1034.06  6987.30  1034.06  239.366   18.551  239.366   18.551 0.000000 0.000000 
1 1 1    0    4   21 o   48.217   4.2204  281.000   47.205  281.000   47.205  281.000   47.205   48.217   4.2204   48.217   4.2204 0.000000 0.000000 
1 1 1    0    4   22 o   89.435   7.1169  965.100  148.113  965.100  148.113  965.100  148.113   89.435   7.1169   89.435   7.1169 -0.000000 0.000000 
1 1 1    0    4   23 o   38.409   3.6084  178.900   32.063  178.900   32.063  178.900   32.063   38.409   3.6084   38.409   3.6084 -0.000000 0.000000 
1 1 1    0    4   24 o   6.0090   2.5002   6.0000   3.5396   6.0000   3.5396   6.0000   3.5396   6.0090   2.5002   6.0090   2.5002 0.000000 0.000000 
1 1 1    0    4   25 o  196.185   15.376  4714.50  702.233  4714.50  702.233  4714.50  702.233  196.185   15.376  196.185   15.376 -0.000000 0.000000 
1 1 1    0    4   26 o   34.482   3.3700  144.500   26.838  144.500   26.838  144.500   26.838   34.482   3.3700   34.482   3.3700 -0.000000 0.000000 
1 1 1    0    4   27 o   14.500   2.6586   27.200   8.1990   27.200   8.1990   27.200   8.1990   14.500   2.6586   14.500   2.6586 0.000000 0.000000 
1 1 1    0    4   28 o  140.993   11.025  2417.60  361.895  2417.60  361.895  2417.60  361.895  140.993   11.025  140.993   11.025 -0.000000 0.000000 
1 1 1    0    4   29 o   94.535   7.5128  1081.40  165.271  1081.40  165.271  1081.40  165.271   94.535   7.5128   94.535   7.5128 -0.000000 0.000000 
1 1 1    0    4   30 o   12.344   2.7119   20.400   6.9181   20.400   6.9181   20.400   6.9181   12.344   2.7119   12.344   2.7119 -0.000000 0.000000 
1 1 1    0    4   31 o   50.903   4.4076  313.600   52.065  313.600   52.065  313.600   52.065   50.903   4.4076   50.903   4.4076 -0.000000 0.000000 
1 1 1    0    4   32 o   25.080   2.8987   77.300   16.570   77.300   16.570   77.300   16.570   25.080   2.8987   25.080   2.8987 0.000000 0.000000 
1 1 1    0    4   33 o  226.152   18.642  6619.70  979.976  6619.70  979.976  6619.70  979.976  226.152   18.642  226.152   18.642 0.000000 0.000000 
1 1 1    0    4   34 o   8.4124   2.7733   10.700   4.8926   10.700   4.8926   10.700   4.8926   8.4124   2.7733   8.4124   2.7733 0.000000 0.000000 
1 1 1    0    4   35 o   73.618   6.0505  660.800  103.547  660.800  103.547  660.800  103.547   73.618   6.0505   73.618   6.0505 0.000000 0.000000 
1 1 1    0    4   36 o   79.402   6.4989  772.200  119.975  772.200  119.975  772.200  119.975   79.402   6.4989   79.402   6.4989 -0.000000 0.000000 
1 1 1    0    4   37 o   6.2607   2.5787   6.5000   3.7752   6.5000   3.7752   6.5000   3.7752   6.2607   2.5787   6.2607   2.5787 -0.000000 0.000000 
1 1 1    0    4   38 o   20.541   2.7363   52.600   12.613   52.600   12.613   52.600   12.613   20.541   2.7363   20.541   2.7363 0.000000 0.000000 
1 1 1    0    4   39 o   32.965   3.3045  133.000   25.130  133.000   25.130  133.000   25.130   32.965   3.3045   32.965   3.3045 0.000000 0.000000 
1 1 1    0    4   40 o   77.919   6.4569  752.800  116.928  752.800  116.928  752.800  116.928   77.919   6.4569   77.919   6.4569 -0.000000 0.000000 
1 1 1    0    4   41 o   50.013   4.4105  306.900   51.155  306.900   51.155  306.900   51.155   50.013   4.4105   50.013   4.4105 0.000000 0.000000 
1 1 1    0    4   42 o   31.623   3.2403  123.000   23.614  123.000   23.614  123.000   23.614   31.623   3.2403   31.623   3.2403 0.000000 0.000000 
1 1 1    0    4   43 o   4.1291   2.2055   2.9000   2.9323   2.9000   2.9323   2.9000   2.9323   4.1291   2.2055   4.1291   2.2055 -0.000000 0.000000 
1 1 1    0    4   44 o   37.942   3.6433  178.000   31.950  178.000   31.950  178.000   31.950   37.942   3.6433   37.942   3.6433 0.000000 0.000000 
1 1 1    0    4   45 o   10.588   2.8243   15.900   6.1018   15.900   6.1018   15.900   6.1018   10.588   2.8243   10.588   2.8243 0.000000 0.000000 
1 1 1    0    4   46 f   14.237   2.7350   26.700   8.2136   26.700   8.2136   26.700   8.2136   14.237   2.7350   14.237   2.7350 -0.000000 0.000000 
1 1 1    0    4   47 o   25.119   2.9452   78.800   16.841   78.800   16.841   78.800   16.841   25.119   2.9452   25.119   2.9452 -0.000000 0.000000 
1 1 1    0    4   48 o   51.502   4.6622  335.800   55.631  335.800   55.631  335.800   55.631   51.502   4.6622   51.502   4.6622 -0.000000 0.000000 
1 1 1    0    4   49 o   4.2017   2.3344   2.9000   3.4204   2.9000   3.4204   2.9000   3.4204   4.2017   2.3344   4.2017   2.3344 0.000000 0.000000 
1 1 1    0    4   50 o   17.094   2.8033   37.900   10.401   37.900   10.401   37.900   10.401   17.094   2.8033   17.094   2.8033 -0.000000 0.000000 
1 1 1    0    4   51 o   20.613   2.8735   54.400   13.209   54.400   13.209   54.400   13.209   20.613   2.8735   20.613   2.8735 -0.000000 0.000000 
1 1 1    0    4   52 o   26.613   3.1105   90.200   18.849   90.200   18.849   90.200   18.849   26.613   3.1105   26.613   3.1105 -0.000000 0.000000 
1 1 1    0    4   53 o   5.3303   2.8673   5.0000   4.9892   5.0000   4.9892   5.0000   4.9892   5.3303   2.8673   5.3303   2.8673 0.000000 0.000000 
1 1 1    0    4   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    4   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5    4 o  169.977   13.134  3487.90  519.919  3487.90  519.919  3487.90  519.919  169.977   13.134  169.977   13.134 0.000000 0.000000 
1 1 1    0    5    5 o   66.109   5.4487  526.900   83.728  526.900   83.728  526.900   83.728   66.109   5.4487   66.109   5.4487 0.000000 0.000000 
1 1 1    0    5    6 o  117.716   9.2095  1670.80  252.393  1670.80  252.393  1670.80  252.393  117.716   9.2095  117.716   9.2095 0.000000 0.000000 
1 1 1    0    5    7 o  297.656   23.295 10895.00  1614.24 10895.00  1614.24 10895.00  1614.24  297.656   23.295  297.656   23.295 -0.000000 0.000000 
1 1 1    0    5    8 o   86.444   6.9042  901.100  138.863  901.100  138.863  901.100  138.863   86.444   6.9042   86.444   6.9042 -0.000000 0.000000 
1 1 1    0    5    9 o   6.4702   2.5484   6.8000   3.7387   6.8000   3.7387   6.8000   3.7387   6.4702   2.5484   6.4702   2.5484 -0.000000 0.000000 
1 1 1    0    5   10 o   98.256   7.7649  1163.90  177.570  1163.90  177.570  1163.90  177.570   98.256   7.7649   98.256   7.7649 -0.000000 0.000000 
1 1 1    0    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   12 o  186.834   14.414  4215.40  627.194  4215.40  627.194  4215.40  627.194  186.834   14.414  186.834   14.414 0.000000 0.000000 
1 1 1    0    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   14 o   57.961   4.8729  405.200   65.609  405.200   65.609  405.200   65.609   57.961   4.8729   57.961   4.8729 -0.000000 0.000000 
1 1 1    0    5   15 o   19.993   2.6888   49.700   12.048   49.700   12.048   49.700   12.048   19.993   2.6888   19.993   2.6888 -0.000000 0.000000 
1 1 1    0    5   16 o  107.193   8.4072  1383.90  209.794  1383.90  209.794  1383.90  209.794  107.193   8.4072  107.193   8.4072 -0.000000 0.000000 
1 1 1    0    5   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   18 o   38.160   3.5833  176.500   31.635  176.500   31.635  176.500   31.635   38.160   3.5833   38.160   3.5833 -0.000000 0.000000 
1 1 1    0    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   20 o   9.8004   2.7434   13.700   5.4942   13.700   5.4942   13.700   5.4942   9.8004   2.7434   9.8004   2.7434 -0.000000 0.000000 
1 1 1    0    5   21 o   4.1610   2.1023   3.0000   2.5626   3.0000   2.5626   3.0000   2.5626   4.1610   2.1023   4.1610   2.1023 -0.000000 0.000000 
1 1 1    0    5   22 o  116.682   9.1369  1645.20  248.197  1645.20  248.197  1645.20  248.197  116.682   9.1369  116.682   9.1369 -0.000000 0.000000 
1 1 1    0    5   23 o  329.665   26.321 13685.20  2018.91 13685.20  2018.91 13685.20  2018.91  329.665   26.321  329.665   26.321 0.000000 0.000000 
1 1 1    0    5   24 o   81.080   6.5112  793.600  122.813  793.600  122.813  793.600  122.813   81.080   6.5112   81.080   6.5112 0.000000 0.000000 
1 1 1    0    5   25 o   57.065   4.8523  393.500   64.298  393.500   64.298  393.500   64.298   57.065   4.8523   57.065   4.8523 0.000000 0.000000 
1 1 1    0    5   26 o   11.264   2.7427   17.400   6.3207   17.400   6.3207   17.400   6.3207   11.264   2.7427   11.264   2.7427 -0.000000 0.000000 
1 1 1    0    5   27 o   89.930   7.1675  977.400  149.982  977.400  149.982  977.400  149.982   89.930   7.1675   89.930   7.1675 0.000000 0.000000 
1 1 1    0    5   28 o   16.387   2.6452   34.100   9.4356   34.100   9.4356   34.100   9.4356   16.387   2.6452   16.387   2.6452 0.000000 0.000000 
1 1 1    0    5   29 o  156.407   12.243  2988.00  445.817  2988.00  445.817  2988.00  445.817  156.407   12.243  156.407   12.243 -0.000000 0.000000 
1 1 1    0    5   30 o  100.168   7.9450  1216.20  185.206  1216.20  185.206  1216.20  185.206  100.168   7.9450  100.168   7.9450 0.000000 0.000000 
1 1 1    0    5   31 o   90.048   7.1960  982.900  150.766  982.900  150.766  982.900  150.766   90.048   7.1960   90.048   7.1960 0.000000 0.000000 
1 1 1    0    5   32 o   32.795   3.2802  131.000   24.819  131.000   24.819  131.000   24.819   32.795   3.2802   32.795   3.2802 -0.000000 0.000000 
1 1 1    0    5   33 o   9.3178   2.8068   12.700   5.3843   12.700   5.3843   12.700   5.3843   9.3178   2.8068   9.3178   2.8068 0.000000 0.000000 
1 1 1    0    5   34 o  130.957   10.487  2127.40  319.509  2127.40  319.509  2127.40  319.509  130.957   10.487  130.957   10.487 -0.000000 0.000000 
1 1 1    0    5   35 o   10.633   2.8243   15.900   6.1274   15.900   6.1274   15.900   6.1274   10.633   2.8243   10.633   2.8243 -0.000000 0.000000 
1 1 1    0    5   36 o   32.254   3.2599  127.100   24.248  127.100   24.248  127.100   24.248   32.254   3.2599   32.254   3.2599 -0.000000 0.000000 
1 1 1    0    5   37 o  106.083   8.6320  1404.90  212.938  1404.90  212.938  1404.90  212.938  106.083   8.6320  106.083   8.6320 0.000000 0.000000 
1 1 1    0    5   38 o   24.446   2.8948   73.800   16.094   73.800   16.094   73.800   16.094   24.446   2.8948   24.446   2.8948 -0.000000 0.000000 
1 1 1    0    5   39 o   52.341   4.5478  335.000   55.233  335.000   55.233  335.000   55.233   52.341   4.5478   52.341   4.5478 0.000000 0.000000 
1 1 1    0    5   40 o   8.8345   2.8291   11.700   5.2041   11.700   5.2041   11.700   5.2041   8.8345   2.8291   8.8345   2.8291 -0.000000 0.000000 
1 1 1    0    5   41 o   38.017   3.6183  177.100   31.806  177.100   31.806  177.100   31.806   38.017   3.6183   38.017   3.6183 0.000000 0.000000 
1 1 1    0    5   42 o   33.781   3.3685  140.300   26.257  140.300   26.257  140.300   26.257   33.781   3.3685   33.781   3.3685 0.000000 0.000000 
1 1 1    0    5   43 o   20.116   2.7387   50.800   12.328   50.800   12.328   50.800   12.328   20.116   2.7387   20.116   2.7387 0.000000 0.000000 
1 1 1    0    5   44 o   41.946   3.9031  217.900   37.891  217.900   37.891  217.900   37.891   41.946   3.9031   41.946   3.9031 0.000000 0.000000 
1 1 1    0    5   45 o   2.0471   1.3285  -0.1000   1.5308  -0.1000   1.5308  -0.1000   1.5308   2.0471   1.3285   2.0471   1.3285 0.000000 0.000000 
1 1 1    0    5   46 o   43.557   4.0358  236.700   40.690  236.700   40.690  236.700   40.690   43.557   4.0358   43.557   4.0358 0.000000 0.000000 
1 1 1    0    5   47 f   3.3310   1.9362   1.6000   2.5035   1.6000   2.5035   1.6000   2.5035   3.3310   1.9362   3.3310   1.9362 0.000000 0.000000 
1 1 1    0    5   48 o   20.302   2.7754   52.100   12.601   52.100   12.601   52.100   12.601   20.302   2.7754   20.302   2.7754 0.000000 0.000000 
1 1 1    0    5   49 o   27.398   3.0757   94.100   19.254   94.100   19.254   94.100   19.254   27.398   3.0757   27.398   3.0757 -0.000000 0.000000 
1 1 1    0    5   50 o   3.4292   2.0672   1.4000   3.0479   1.4000   3.0479   1.4000   3.0479   3.4292   2.0672   3.4292   2.0672 0.000000 0.000000 
1 1 1    0    5   51 o   10.974   2.9915   17.400   6.7019   17.400   6.7019   17.400   6.7019   10.974   2.9915   10.974   2.9915 -0.000000 0.000000 
1 1 1    0    5   52 o   8.7467   3.0473   12.100   5.6895   12.100   5.6895   12.100   5.6895   8.7467   3.0473   8.7467   3.0473 -0.000000 0.000000 
1 1 1    0    5   53 o   17.502   3.1368   40.800   11.724   40.800   11.724   40.800   11.724   17.502   3.1368   17.502   3.1368 0.000000 0.000000 
1 1 1    0    5   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    5   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    2 o  156.533   12.170  2956.80  443.599  2956.80  443.599  2956.80  443.599  156.533   12.170  156.533   12.170 -0.000000 0.000000 
1 1 1    0    6    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    4 o   93.818   7.4381  1060.50  162.401  1060.50  162.401  1060.50  162.401   93.818   7.4381   93.818   7.4381 0.000000 0.000000 
1 1 1    0    6    5 o   28.822   3.0664  101.400   20.276  101.400   20.276  101.400   20.276   28.822   3.0664   28.822   3.0664 0.000000 0.000000 
1 1 1    0    6    6 o  228.247   17.690  6343.30  940.280  6343.30  940.280  6343.30  940.280  228.247   17.690  228.247   17.690 0.000000 0.000000 
1 1 1    0    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6    8 o  132.726   10.343  2128.50  319.638  2128.50  319.638  2128.50  319.638  132.726   10.343  132.726   10.343 0.000000 0.000000 
1 1 1    0    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   10 o   58.308   4.9042  410.200   66.425  410.200   66.425  410.200   66.425   58.308   4.9042   58.308   4.9042 -0.000000 0.000000 
1 1 1    0    6   11 o  236.447   18.231  6776.40  1003.97  6776.40  1003.97  6776.40  1003.97  236.447   18.231  236.447   18.231 -0.000000 0.000000 
1 1 1    0    6   12 o  284.374   21.923  9820.10  1452.04  9820.10  1452.04  9820.10  1452.04  284.374   21.923  284.374   21.923 0.000000 0.000000 
1 1 1    0    6   13 o  148.176   11.481  2646.00  396.169  2646.00  396.169  2646.00  396.169  148.176   11.481  148.176   11.481 -0.000000 0.000000 
1 1 1    0    6   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   15 o  239.076   18.397  6921.60  1024.43  6921.60  1024.43  6921.60  1024.43  239.076   18.397  239.076   18.397 0.000000 0.000000 
1 1 1    0    6   16 o  234.893   18.086  6684.20  989.488  6684.20  989.488  6684.20  989.488  234.893   18.086  234.893   18.086 -0.000000 0.000000 
1 1 1    0    6   17 o  281.734   21.759  9665.00  1427.70  9665.00  1427.70  9665.00  1427.70  281.734   21.759  281.734   21.759 -0.000000 0.000000 
1 1 1    0    6   18 o  144.395   11.195  2516.30  376.435  2516.30  376.435  2516.30  376.435  144.395   11.195  144.395   11.195 -0.000000 0.000000 
1 1 1    0    6   19 o  113.174   8.8601  1544.70  233.443  1544.70  233.443  1544.70  233.443  113.174   8.8601  113.174   8.8601 -0.000000 0.000000 
1 1 1    0    6   20 o  131.423   10.233  2086.30  313.129  2086.30  313.129  2086.30  313.129  131.423   10.233  131.423   10.233 0.000000 0.000000 
1 1 1    0    6   21 o   10.865   2.7190   16.300   6.0343   16.300   6.0343   16.300   6.0343   10.865   2.7190   10.865   2.7190 -0.000000 0.000000 
1 1 1    0    6   22 o  128.999   10.067  2013.20  302.360  2013.20  302.360  2013.20  302.360  128.999   10.067  128.999   10.067 -0.000000 0.000000 
1 1 1    0    6   23 o  144.180   11.232  2520.50  377.075  2520.50  377.075  2520.50  377.075  144.180   11.232  144.180   11.232 -0.000000 0.000000 
1 1 1    0    6   24 o   68.661   5.6254  569.100   89.797  569.100   89.797  569.100   89.797   68.661   5.6254   68.661   5.6254 0.000000 0.000000 
1 1 1    0    6   25 o   8.9991   2.7523   11.900   5.1108   11.900   5.1108   11.900   5.1108   8.9991   2.7523   8.9991   2.7523 -0.000000 0.000000 
1 1 1    0    6   26 o   95.085   7.5546  1092.90  167.159  1092.90  167.159  1092.90  167.159   95.085   7.5546   95.085   7.5546 0.000000 0.000000 
1 1 1    0    6   27 o   65.917   5.4366  524.800   83.299  524.800   83.299  524.800   83.299   65.917   5.4366   65.917   5.4366 0.000000 0.000000 
1 1 1    0    6   28 o  274.865   22.012  9526.10  1407.61  9526.10  1407.61  9526.10  1407.61  274.865   22.012  274.865   22.012 -0.000000 0.000000 
1 1 1    0    6   29 o   11.494   2.7267   18.000   6.4243   18.000   6.4243   18.000   6.4243   11.494   2.7267   11.494   2.7267 -0.000000 0.000000 
1 1 1    0    6   30 o   74.041   6.0203  663.000  103.656  663.000  103.656  663.000  103.656   74.041   6.0203   74.041   6.0203 0.000000 0.000000 
1 1 1    0    6   31 o   69.711   5.7128  588.100   92.586  588.100   92.586  588.100   92.586   69.711   5.7128   69.711   5.7128 -0.000000 0.000000 
1 1 1    0    6   32 o   12.615   2.7045   21.200   7.0735   21.200   7.0735   21.200   7.0735   12.615   2.7045   12.615   2.7045 0.000000 0.000000 
1 1 1    0    6   33 f  140.527   11.209  2445.40  366.501  2445.40  366.501  2445.40  366.501  140.527   11.209  140.527   11.209 -0.000000 0.000000 
1 1 1    0    6   34 o  138.413   11.120  2388.70  358.038  2388.70  358.038  2388.70  358.038  138.413   11.120  138.413   11.120 -0.000000 0.000000 
1 1 1    0    6   35 o   37.452   3.5555  170.800   30.793  170.800   30.793  170.800   30.793   37.452   3.5555   37.452   3.5555 0.000000 0.000000 
1 1 1    0    6   36 o  116.326   9.4261  1690.90  255.012  1690.90  255.012  1690.90  255.012  116.326   9.4261  116.326   9.4261 0.000000 0.000000 
1 1 1    0    6   37 o   35.118   3.4299  150.600   27.820  150.600   27.820  150.600   27.820   35.118   3.4299   35.118   3.4299 0.000000 0.000000 
1 1 1    0    6   38 o   4.2137   2.2565   3.0000   3.0773   3.0000   3.0773   3.0000   3.0773   4.2137   2.2565   4.2137   2.2565 -0.000000 0.000000 
1 1 1    0    6   39 o   45.469   4.0853  252.600   43.048  252.600   43.048  252.600   43.048   45.469   4.0853   45.469   4.0853 -0.000000 0.000000 
1 1 1    0    6   40 o   23.485   2.8413   68.300   15.144   68.300   15.144   68.300   15.144   23.485   2.8413   23.485   2.8413 0.000000 0.000000 
1 1 1    0    6   41 o   40.667   3.7847  202.700   35.621  202.700   35.621  202.700   35.621   40.667   3.7847   40.667   3.7847 0.000000 0.000000 
1 1 1    0    6   42 f   19.223   2.7216   46.500   11.640   46.500   11.640   46.500   11.640   19.223   2.7216   19.223   2.7216 0.000000 0.000000 
1 1 1    0    6   43 o   11.313   2.7757   17.700   6.4216   17.700   6.4216   17.700   6.4216   11.313   2.7757   11.313   2.7757 -0.000000 0.000000 
1 1 1    0    6   44 o   21.500   2.7905   57.900   13.508   57.900   13.508   57.900   13.508   21.500   2.7905   21.500   2.7905 0.000000 0.000000 
1 1 1    0    6   45 o   24.021   2.8884   72.000   15.756   72.000   15.756   72.000   15.756   24.021   2.8884   24.021   2.8884 0.000000 0.000000 
1 1 1    0    6   46 o   14.805   2.7402   28.700   8.6142   28.700   8.6142   28.700   8.6142   14.805   2.7402   14.805   2.7402 0.000000 0.000000 
1 1 1    0    6   47 o   18.246   2.7279   42.400   10.979   42.400   10.979   42.400   10.979   18.246   2.7279   18.246   2.7279 -0.000000 0.000000 
1 1 1    0    6   48 o   48.254   4.4074  293.800   49.257  293.800   49.257  293.800   49.257   48.254   4.4074   48.254   4.4074 0.000000 0.000000 
1 1 1    0    6   49 o   2.6385   1.6466   0.5000   2.0932   0.5000   2.0932   0.5000   2.0932   2.6385   1.6466   2.6385   1.6466 0.000000 0.000000 
1 1 1    0    6   50 o   16.491   2.7331   35.300   9.7638   35.300   9.7638   35.300   9.7638   16.491   2.7331   16.491   2.7331 0.000000 0.000000 
1 1 1    0    6   51 o   16.879   2.8201   37.200   10.297   37.200   10.297   37.200   10.297   16.879   2.8201   16.879   2.8201 0.000000 0.000000 
1 1 1    0    6   52 o   3.0768   1.9095   0.8000   2.7761   0.8000   2.7761   0.8000   2.7761   3.0768   1.9095   3.0768   1.9095 -0.000000 0.000000 
1 1 1    0    6   53 o   2.9683   1.9377  -0.3000   3.3244  -0.3000   3.3244  -0.3000   3.3244   2.9683   1.9377   2.9683   1.9377 -0.000000 0.000000 
1 1 1    0    6   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    6   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    3 o  125.398   9.8262  1896.90  286.853  1896.90  286.853  1896.90  286.853  125.398   9.8262  125.398   9.8262 -0.000000 0.000000 
1 1 1    0    7    4 o   55.190   4.6998  367.700   60.227  367.700   60.227  367.700   60.227   55.190   4.6998   55.190   4.6998 0.000000 0.000000 
1 1 1    0    7    5 o   82.589   6.6275  822.400  127.336  822.400  127.336  822.400  127.336   82.589   6.6275   82.589   6.6275 0.000000 0.000000 
1 1 1    0    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7    7 o  294.252   23.113 10678.00  1583.19 10678.00  1583.19 10678.00  1583.19  294.252   23.113  294.252   23.113 0.000000 0.000000 
1 1 1    0    7    8 f  206.229   15.978  5167.90  767.335  5167.90  767.335  5167.90  767.335  206.229   15.978  206.229   15.978 -0.000000 0.000000 
1 1 1    0    7    9 o   57.221   4.8279  395.100   64.166  395.100   64.166  395.100   64.166   57.221   4.8279   57.221   4.8279 0.000000 0.000000 
1 1 1    0    7   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   11 o   69.501   5.6842  582.100   91.851  582.100   91.851  582.100   91.851   69.501   5.6842   69.501   5.6842 0.000000 0.000000 
1 1 1    0    7   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   13 o  192.268   14.819  4462.70  663.609  4462.70  663.609  4462.70  663.609  192.268   14.819  192.268   14.819 0.000000 0.000000 
1 1 1    0    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   15 o  396.288   30.877 19309.30  2849.04 19309.30  2849.04 19309.30  2849.04  396.288   30.877  396.288   30.877 -0.000000 0.000000 
1 1 1    0    7   16 o  141.873   10.994  2426.70  363.226  2426.70  363.226  2426.70  363.226  141.873   10.994  141.873   10.994 -0.000000 0.000000 
1 1 1    0    7   17 o  230.565   17.778  6448.30  954.682  6448.30  954.682  6448.30  954.682  230.565   17.778  230.565   17.778 0.000000 0.000000 
1 1 1    0    7   18 o  117.578   9.1875  1667.00  251.504  1667.00  251.504  1667.00  251.504  117.578   9.1875  117.578   9.1875 -0.000000 0.000000 
1 1 1    0    7   19 f   22.443   2.7936   62.200   14.186   62.200   14.186   62.200   14.186   22.443   2.7936   22.443   2.7936 0.000000 0.000000 
1 1 1    0    7   20 o  383.898   30.657 18558.50  2738.40 18558.50  2738.40 18558.50  2738.40  383.898   30.657  383.898   30.657 -0.000000 0.000000 
1 1 1    0    7   21 o  118.680   9.2861  1701.80  256.575  1701.80  256.575  1701.80  256.575  118.680   9.2861  118.680   9.2861 0.000000 0.000000 
1 1 1    0    7   22 o   64.054   5.3006  495.200   78.911  495.200   78.911  495.200   78.911   64.054   5.3006   64.054   5.3006 0.000000 0.000000 
1 1 1    0    7   23 o   77.968   6.2876  733.700  114.031  733.700  114.031  733.700  114.031   77.968   6.2876   77.968   6.2876 0.000000 0.000000 
1 1 1    0    7   24 o   15.426   2.6622   30.500   8.8311   30.500   8.8311   30.500   8.8311   15.426   2.6622   15.426   2.6622 -0.000000 0.000000 
1 1 1    0    7   25 o   74.305   6.0365  666.700  104.309  666.700  104.309  666.700  104.309   74.305   6.0365   74.305   6.0365 -0.000000 0.000000 
1 1 1    0    7   26 o  197.843   15.476  4803.80  712.811  4803.80  712.811  4803.80  712.811  197.843   15.476  197.843   15.476 0.000000 0.000000 
1 1 1    0    7   27 o   7.1557   2.6448   8.1000   4.1431   8.1000   4.1431   8.1000   4.1431   7.1557   2.6448   7.1557   2.6448 0.000000 0.000000 
1 1 1    0    7   28 o   10.888   2.8009   16.500   6.2244   16.500   6.2244   16.500   6.2244   10.888   2.8009   10.888   2.8009 0.000000 0.000000 
1 1 1    0    7   29 o  239.271   19.042  7165.50  1060.22  7165.50  1060.22  7165.50  1060.22  239.271   19.042  239.271   19.042 -0.000000 0.000000 
1 1 1    0    7   30 o   83.774   6.7282  849.500  131.122  849.500  131.122  849.500  131.122   83.774   6.7282   83.774   6.7282 -0.000000 0.000000 
1 1 1    0    7   31 o   22.623   2.7875   63.200   14.284   63.200   14.284   63.200   14.284   22.623   2.7875   22.623   2.7875 0.000000 0.000000 
1 1 1    0    7   32 o   95.482   7.6297  1109.40  169.498  1109.40  169.498  1109.40  169.498   95.482   7.6297   95.482   7.6297 0.000000 0.000000 
1 1 1    0    7   33 o   41.842   3.8273  212.600   37.088  212.600   37.088  212.600   37.088   41.842   3.8273   41.842   3.8273 -0.000000 0.000000 
1 1 1    0    7   34 o   88.721   7.1606  962.200  147.768  962.200  147.768  962.200  147.768   88.721   7.1606   88.721   7.1606 0.000000 0.000000 
1 1 1    0    7   35 o   34.960   3.4081  149.000   27.522  149.000   27.522  149.000   27.522   34.960   3.4081   34.960   3.4081 -0.000000 0.000000 
1 1 1    0    7   36 o   77.440   6.3532  735.200  114.378  735.200  114.378  735.200  114.378   77.440   6.3532   77.440   6.3532 -0.000000 0.000000 
1 1 1    0    7   37 o  101.910   8.2983  1294.50  196.649  1294.50  196.649  1294.50  196.649  101.910   8.2983  101.910   8.2983 0.000000 0.000000 
1 1 1    0    7   38 o   95.898   7.8468  1147.00  174.953  1147.00  174.953  1147.00  174.953   95.898   7.8468   95.898   7.8468 -0.000000 0.000000 
1 1 1    0    7   39 o   31.373   3.2102  120.600   23.212  120.600   23.212  120.600   23.212   31.373   3.2102   31.373   3.2102 -0.000000 0.000000 
1 1 1    0    7   40 o   44.938   4.0573  247.200   42.246  247.200   42.246  247.200   42.246   44.938   4.0573   44.938   4.0573 0.000000 0.000000 
1 1 1    0    7   41 o   6.4346   2.6678   6.9000   4.0330   6.9000   4.0330   6.9000   4.0330   6.4346   2.6678   6.4346   2.6678 0.000000 0.000000 
1 1 1    0    7   42 o   47.319   4.2416  276.000   46.519  276.000   46.519  276.000   46.519   47.319   4.2416   47.319   4.2416 -0.000000 0.000000 
1 1 1    0    7   43 o   9.2577   2.8452   12.700   5.4392   12.700   5.4392   12.700   5.4392   9.2577   2.8452   9.2577   2.8452 -0.000000 0.000000 
1 1 1    0    7   44 o   17.029   2.7130   37.100   10.080   37.100   10.080   37.100   10.080   17.029   2.7130   17.029   2.7130 0.000000 0.000000 
1 1 1    0    7   45 o   10.422   2.8355   15.500   6.0321   15.500   6.0321   15.500   6.0321   10.422   2.8355   10.422   2.8355 0.000000 0.000000 
1 1 1    0    7   46 o   10.436   2.8660   15.600   6.1070   15.600   6.1070   15.600   6.1070   10.436   2.8660   10.436   2.8660 -0.000000 0.000000 
1 1 1    0    7   47 o   43.142   4.0192  232.800   40.128  232.800   40.128  232.800   40.128   43.142   4.0192   43.142   4.0192 -0.000000 0.000000 
1 1 1    0    7   48 o  ?   ?   -6.7000   0.5743  -6.7000   0.5743  -6.7000   0.5743  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0    7   49 o   11.990   2.8051   19.800   6.9029   19.800   6.9029   19.800   6.9029   11.990   2.8051   11.990   2.8051 -0.000000 0.000000 
1 1 1    0    7   50 o   31.004   3.2789  121.100   23.391  121.100   23.391  121.100   23.391   31.004   3.2789   31.004   3.2789 -0.000000 0.000000 
1 1 1    0    7   51 o   13.231   2.8353   23.800   7.7787   23.800   7.7787   23.800   7.7787   13.231   2.8353   13.231   2.8353 -0.000000 0.000000 
1 1 1    0    7   52 o   7.2780   2.8615   8.8000   4.7171   8.8000   4.7171   8.8000   4.7171   7.2780   2.8615   7.2780   2.8615 0.000000 0.000000 
1 1 1    0    7   53 o   6.2221   3.0358   7.0000   5.2600   7.0000   5.2600   7.0000   5.2600   6.2221   3.0358   6.2221   3.0358 -0.000000 0.000000 
1 1 1    0    7   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    7   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    2 o   59.652   5.0355  429.500   69.767  429.500   69.767  429.500   69.767   59.652   5.0355   59.652   5.0355 0.000000 0.000000 
1 1 1    0    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8    4 o   87.814   7.0100  929.900  143.229  929.900  143.229  929.900  143.229   87.814   7.0100   87.814   7.0100 -0.000000 0.000000 
1 1 1    0    8    5 o   50.109   4.3542  303.400   50.626  303.400   50.626  303.400   50.626   50.109   4.3542   50.109   4.3542 0.000000 0.000000 
1 1 1    0    8    6 o   34.308   3.3589  143.000   26.613  143.000   26.613  143.000   26.613   34.308   3.3589   34.308   3.3589 0.000000 0.000000 
1 1 1    0    8    7 f  265.700   20.657  8637.60  1278.04  8637.60  1278.04  8637.60  1278.04  265.700   20.657  265.700   20.657 0.000000 0.000000 
1 1 1    0    8    8 o  290.243   22.544 10305.10  1523.66 10305.10  1523.66 10305.10  1523.66  290.243   22.544  290.243   22.544 -0.000000 0.000000 
1 1 1    0    8    9 o  186.320   14.384  4195.90  624.166  4195.90  624.166  4195.90  624.166  186.320   14.384  186.320   14.384 0.000000 0.000000 
1 1 1    0    8   10 o  261.065   20.121  8266.80  1223.46  8266.80  1223.46  8266.80  1223.46  261.065   20.121  261.065   20.121 0.000000 0.000000 
1 1 1    0    8   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   15 o  208.561   16.081  5260.70  781.142  5260.70  781.142  5260.70  781.142  208.561   16.081  208.561   16.081 0.000000 0.000000 
1 1 1    0    8   16 o  376.725   29.478 17474.60  2585.35 17474.60  2585.35 17474.60  2585.35  376.725   29.478  376.725   29.478 -0.000000 0.000000 
1 1 1    0    8   17 o  262.972   20.349  8423.10  1246.22  8423.10  1246.22  8423.10  1246.22  262.972   20.349  262.972   20.349 -0.000000 0.000000 
1 1 1    0    8   18 o  124.435   9.7025  1868.10  281.107  1868.10  281.107  1868.10  281.107  124.435   9.7025  124.435   9.7025 -0.000000 0.000000 
1 1 1    0    8   19 o  119.704   9.3532  1729.40  260.669  1729.40  260.669  1729.40  260.669  119.704   9.3532  119.704   9.3532 -0.000000 0.000000 
1 1 1    0    8   20 o   12.393   2.6890   20.500   6.8982   20.500   6.8982   20.500   6.8982   12.393   2.6890   12.393   2.6890 -0.000000 0.000000 
1 1 1    0    8   21 f  210.225   16.352  5398.80  800.442  5398.80  800.442  5398.80  800.442  210.225   16.352  210.225   16.352 -0.000000 0.000000 
1 1 1    0    8   22 o  106.458   8.3783  1369.20  207.618  1369.20  207.618  1369.20  207.618  106.458   8.3783  106.458   8.3783 0.000000 0.000000 
1 1 1    0    8   23 o  159.866   12.447  3107.20  463.337  3107.20  463.337  3107.20  463.337  159.866   12.447  159.866   12.447 0.000000 0.000000 
1 1 1    0    8   24 o  161.382   12.576  3170.10  472.566  3170.10  472.566  3170.10  472.566  161.382   12.576  161.382   12.576 -0.000000 0.000000 
1 1 1    0    8   25 o   69.804   5.7196  588.400   92.821  588.400   92.821  588.400   92.821   69.804   5.7196   69.804   5.7196 0.000000 0.000000 
1 1 1    0    8   26 o   41.844   3.8125  212.100   36.952  212.100   36.952  212.100   36.952   41.844   3.8125   41.844   3.8125 -0.000000 0.000000 
1 1 1    0    8   27 o   59.415   4.9795  426.500   68.734  426.500   68.734  426.500   68.734   59.415   4.9795   59.415   4.9795 -0.000000 0.000000 
1 1 1    0    8   28 o  177.546   13.915  3866.20  575.127  3866.20  575.127  3866.20  575.127  177.546   13.915  177.546   13.915 0.000000 0.000000 
1 1 1    0    8   29 o   22.570   2.7900   62.900   14.259   62.900   14.259   62.900   14.259   22.570   2.7900   22.570   2.7900 0.000000 0.000000 
1 1 1    0    8   30 o   81.409   6.5588  802.300  124.202  802.300  124.202  802.300  124.202   81.409   6.5588   81.409   6.5588 -0.000000 0.000000 
1 1 1    0    8   31 o   89.943   7.2153  981.900  150.975  981.900  150.975  981.900  150.975   89.943   7.2153   89.943   7.2153 0.000000 0.000000 
1 1 1    0    8   32 o   40.290   3.7331  197.100   34.816  197.100   34.816  197.100   34.816   40.290   3.7331   40.290   3.7331 -0.000000 0.000000 
1 1 1    0    8   33 o   39.299   3.6675  187.700   33.353  187.700   33.353  187.700   33.353   39.299   3.6675   39.299   3.6675 -0.000000 0.000000 
1 1 1    0    8   34 o   73.116   5.9946  651.200  101.898  651.200  101.898  651.200  101.898   73.116   5.9946   73.116   5.9946 -0.000000 0.000000 
1 1 1    0    8   35 o   19.255   2.7004   46.400   11.585   46.400   11.585   46.400   11.585   19.255   2.7004   19.255   2.7004 -0.000000 0.000000 
1 1 1    0    8   36 o   67.902   5.6417  563.800   89.023  563.800   89.023  563.800   89.023   67.902   5.6417   67.902   5.6417 -0.000000 0.000000 
1 1 1    0    8   37 o   13.738   2.7769   24.900   7.9792   24.900   7.9792   24.900   7.9792   13.738   2.7769   13.738   2.7769 -0.000000 0.000000 
1 1 1    0    8   38 o   27.614   3.0215   93.700   19.102   93.700   19.102   93.700   19.102   27.614   3.0215   27.614   3.0215 -0.000000 0.000000 
1 1 1    0    8   39 o   18.566   2.7085   43.400   11.136   43.400   11.136   43.400   11.136   18.566   2.7085   18.566   2.7085 -0.000000 0.000000 
1 1 1    0    8   40 o   55.219   4.7680  374.400   61.104  374.400   61.104  374.400   61.104   55.219   4.7680   55.219   4.7680 -0.000000 0.000000 
1 1 1    0    8   41 o   50.180   4.4283  309.700   51.532  309.700   51.532  309.700   51.532   50.180   4.4283   50.180   4.4283 0.000000 0.000000 
1 1 1    0    8   42 o   9.6729   2.8203   13.600   5.5931   13.600   5.5931   13.600   5.5931   9.6729   2.8203   9.6729   2.8203 -0.000000 0.000000 
1 1 1    0    8   43 o   5.5552   2.4826   5.3000   3.4630   5.3000   3.4630   5.3000   3.4630   5.5552   2.4826   5.5552   2.4826 -0.000000 0.000000 
1 1 1    0    8   44 o   11.490   2.8237   18.300   6.6344   18.300   6.6344   18.300   6.6344   11.490   2.8237   11.490   2.8237 -0.000000 0.000000 
1 1 1    0    8   45 o   9.7018   2.8705   13.800   5.7188   13.800   5.7188   13.800   5.7188   9.7018   2.8705   9.7018   2.8705 0.000000 0.000000 
1 1 1    0    8   46 f   10.724   2.8976   16.400   6.3421   16.400   6.3421   16.400   6.3421   10.724   2.8976   10.724   2.8976 -0.000000 0.000000 
1 1 1    0    8   47 o   5.2360   2.4778   4.8000   3.4729   4.8000   3.4729   4.8000   3.4729   5.2360   2.4778   5.2360   2.4778 -0.000000 0.000000 
1 1 1    0    8   48 o   24.917   2.9510   77.800   16.722   77.800   16.722   77.800   16.722   24.917   2.9510   24.917   2.9510 0.000000 0.000000 
1 1 1    0    8   49 o   34.971   3.5154  153.700   28.357  153.700   28.357  153.700   28.357   34.971   3.5154   34.971   3.5154 -0.000000 0.000000 
1 1 1    0    8   50 o   17.455   2.7337   39.300   10.443   39.300   10.443   39.300   10.443   17.455   2.7337   17.455   2.7337 0.000000 0.000000 
1 1 1    0    8   51 o   14.478   2.7680   27.900   8.4609   27.900   8.4609   27.900   8.4609   14.478   2.7680   14.478   2.7680 0.000000 0.000000 
1 1 1    0    8   52 o   1.5397   1.0825  -1.7000   1.5258  -1.7000   1.5258  -1.7000   1.5258   1.5397   1.0825   1.5397   1.0825 -0.000000 0.000000 
1 1 1    0    8   53 o   14.326   3.2527   28.600   9.5928   28.600   9.5928   28.600   9.5928   14.326   3.2527   14.326   3.2527 -0.000000 0.000000 
1 1 1    0    8   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    8   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    2 o  156.900   12.221  2980.80  446.463  2980.80  446.463  2980.80  446.463  156.900   12.221  156.900   12.221 0.000000 0.000000 
1 1 1    0    9    3 f   20.659   2.7372   53.000   12.699   53.000   12.699   53.000   12.699   20.659   2.7372   20.659   2.7372 -0.000000 0.000000 
1 1 1    0    9    4 o   63.225   5.2829  482.400   77.604  482.400   77.604  482.400   77.604   63.225   5.2829   63.225   5.2829 -0.000000 0.000000 
1 1 1    0    9    5 o   13.471   2.6762   23.800   7.5614   23.800   7.5614   23.800   7.5614   13.471   2.6762   13.471   2.6762 0.000000 0.000000 
1 1 1    0    9    6 o  239.185   18.533  6967.60  1032.28  6967.60  1032.28  6967.60  1032.28  239.185   18.533  239.185   18.533 0.000000 0.000000 
1 1 1    0    9    7 o  124.196   9.6914  1859.90  280.240  1859.90  280.240  1859.90  280.240  124.196   9.6914  124.196   9.6914 -0.000000 0.000000 
1 1 1    0    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9    9 o   49.112   4.3019  291.400   49.008  291.400   49.008  291.400   49.008   49.112   4.3019   49.112   4.3019 -0.000000 0.000000 
1 1 1    0    9   10 f  357.466   27.665 15602.60  2303.03 15602.60  2303.03 15602.60  2303.03  357.466   27.665  357.466   27.665 0.000000 0.000000 
1 1 1    0    9   11 o  112.854   8.8393  1533.70  232.234  1533.70  232.234  1533.70  232.234  112.854   8.8393  112.854   8.8393 -0.000000 0.000000 
1 1 1    0    9   12 f  227.622   17.530  6266.90  929.387  6266.90  929.387  6266.90  929.387  227.622   17.530  227.622   17.530 0.000000 0.000000 
1 1 1    0    9   13 f   45.271   4.0399  247.800   42.396  247.800   42.396  247.800   42.396   45.271   4.0399   45.271   4.0399 0.000000 0.000000 
1 1 1    0    9   14 o  224.216   17.274  6084.60  902.114  6084.60  902.114  6084.60  902.114  224.216   17.274  224.216   17.274 -0.000000 0.000000 
1 1 1    0    9   15 o  123.817   9.6633  1847.50  278.574  1847.50  278.574  1847.50  278.574  123.817   9.6633  123.817   9.6633 -0.000000 0.000000 
1 1 1    0    9   16 o  438.632   34.740 23987.00  3546.29 23987.00  3546.29 23987.00  3546.29  438.632   34.740  438.632   34.740 -0.000000 0.000000 
1 1 1    0    9   17 o   8.9185   2.8031   11.800   5.1842   11.800   5.1842   11.800   5.1842   8.9185   2.8031   8.9185   2.8031 0.000000 0.000000 
1 1 1    0    9   18 o  368.788   29.125 16938.50  2499.95 16938.50  2499.95 16938.50  2499.95  368.788   29.125  368.788   29.125 -0.000000 0.000000 
1 1 1    0    9   19 o  123.912   9.6687  1854.20  278.946  1854.20  278.946  1854.20  278.946  123.912   9.6687  123.912   9.6687 -0.000000 0.000000 
1 1 1    0    9   20 o  195.968   15.210  4676.40  694.086  4676.40  694.086  4676.40  694.086  195.968   15.210  195.968   15.210 0.000000 0.000000 
1 1 1    0    9   21 o  181.260   14.083  3998.80  594.406  3998.80  594.406  3998.80  594.406  181.260   14.083  181.260   14.083 -0.000000 0.000000 
1 1 1    0    9   22 o   16.342   2.6314   33.900   9.3651   33.900   9.3651   33.900   9.3651   16.342   2.6314   16.342   2.6314 -0.000000 0.000000 
1 1 1    0    9   23 o  252.226   19.844  7878.50  1165.09  7878.50  1165.09  7878.50  1165.09  252.226   19.844  252.226   19.844 0.000000 0.000000 
1 1 1    0    9   24 o   83.927   6.7333  850.700  131.467  850.700  131.467  850.700  131.467   83.927   6.7333   83.927   6.7333 -0.000000 0.000000 
1 1 1    0    9   25 o   35.244   3.4177  150.900   27.829  150.900   27.829  150.900   27.829   35.244   3.4177   35.244   3.4177 -0.000000 0.000000 
1 1 1    0    9   26 o  106.779   8.4193  1379.80  209.251  1379.80  209.251  1379.80  209.251  106.779   8.4193  106.779   8.4193 -0.000000 0.000000 
1 1 1    0    9   27 o  122.306   9.5961  1814.70  273.220  1814.70  273.220  1814.70  273.220  122.306   9.5961  122.306   9.5961 0.000000 0.000000 
1 1 1    0    9   28 o   69.179   5.6698  578.300   91.189  578.300   91.189  578.300   91.189   69.179   5.6698   69.179   5.6698 0.000000 0.000000 
1 1 1    0    9   29 f   52.523   4.5170  333.700   55.069  333.700   55.069  333.700   55.069   52.523   4.5170   52.523   4.5170 -0.000000 0.000000 
1 1 1    0    9   30 o   38.772   3.6474  182.500   32.715  182.500   32.715  182.500   32.715   38.772   3.6474   38.772   3.6474 0.000000 0.000000 
1 1 1    0    9   31 o  129.430   10.244  2052.60  308.589  2052.60  308.589  2052.60  308.589  129.430   10.244  129.430   10.244 -0.000000 0.000000 
1 1 1    0    9   32 o   7.7344   2.7365   9.3000   4.5451   9.3000   4.5451   9.3000   4.5451   7.7344   2.7365   7.7344   2.7365 -0.000000 0.000000 
1 1 1    0    9   33 o   63.444   5.2876  488.800   77.950  488.800   77.950  488.800   77.950   63.444   5.2876   63.444   5.2876 0.000000 0.000000 
1 1 1    0    9   34 o   48.027   4.2315  280.300   47.132  280.300   47.132  280.300   47.132   48.027   4.2315   48.027   4.2315 -0.000000 0.000000 
1 1 1    0    9   35 o  119.680   9.6815  1789.20  269.487  1789.20  269.487  1789.20  269.487  119.680   9.6815  119.680   9.6815 -0.000000 0.000000 
1 1 1    0    9   36 o   60.212   5.0890  442.600   71.168  442.600   71.168  442.600   71.168   60.212   5.0890   60.212   5.0890 -0.000000 0.000000 
1 1 1    0    9   37 o  105.831   8.6387  1402.80  212.577  1402.80  212.577  1402.80  212.577  105.831   8.6387  105.831   8.6387 -0.000000 0.000000 
1 1 1    0    9   38 o   0.8121   0.5849  -1.0000   0.5579  -1.0000   0.5579  -1.0000   0.5579   0.8121   0.5849   0.8121   0.5849 -0.000000 0.000000 
1 1 1    0    9   39 o   11.286   2.7945   17.600   6.4464   17.600   6.4464   17.600   6.4464   11.286   2.7945   11.286   2.7945 0.000000 0.000000 
1 1 1    0    9   40 o   10.124   2.8477   14.700   5.8932   14.700   5.8932   14.700   5.8932   10.124   2.8477   10.124   2.8477 -0.000000 0.000000 
1 1 1    0    9   41 o   14.845   2.6890   28.600   8.5086   28.600   8.5086   28.600   8.5086   14.845   2.6890   14.845   2.6890 0.000000 0.000000 
1 1 1    0    9   42 o   14.368   2.7095   27.000   8.2383   27.000   8.2383   27.000   8.2383   14.368   2.7095   14.368   2.7095 0.000000 0.000000 
1 1 1    0    9   43 o   73.601   6.3112  691.000  107.833  691.000  107.833  691.000  107.833   73.601   6.3112   73.601   6.3112 0.000000 0.000000 
1 1 1    0    9   44 o   26.857   3.0137   89.600   18.495   89.600   18.495   89.600   18.495   26.857   3.0137   26.857   3.0137 0.000000 0.000000 
1 1 1    0    9   45 o   22.337   2.8225   62.500   14.241   62.500   14.241   62.500   14.241   22.337   2.8225   22.337   2.8225 -0.000000 0.000000 
1 1 1    0    9   46 o   36.529   3.5712  166.000   30.128  166.000   30.128  166.000   30.128   36.529   3.5712   36.529   3.5712 0.000000 0.000000 
1 1 1    0    9   47 o   26.383   3.0144   86.900   18.146   86.900   18.146   86.900   18.146   26.383   3.0144   26.383   3.0144 0.000000 0.000000 
1 1 1    0    9   48 o  ?   ?   -4.0000   0.5312  -4.0000   0.5312  -4.0000   0.5312  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0    9   49 o   1.6721   1.1430  -0.9000   1.4194  -0.9000   1.4194  -0.9000   1.4194   1.6721   1.1430   1.6721   1.1430 0.000000 0.000000 
1 1 1    0    9   50 f   11.785   2.8735   19.400   6.9283   19.400   6.9283   19.400   6.9283   11.785   2.8735   11.785   2.8735 -0.000000 0.000000 
1 1 1    0    9   51 o   6.5078   2.8043   7.3000   4.4270   7.3000   4.4270   7.3000   4.4270   6.5078   2.8043   6.5078   2.8043 -0.000000 0.000000 
1 1 1    0    9   52 o   23.831   2.9716   72.500   16.020   72.500   16.020   72.500   16.020   23.831   2.9716   23.831   2.9716 -0.000000 0.000000 
1 1 1    0    9   53 o   1.5889   1.1515  -4.7000   2.3327  -4.7000   2.3327  -4.7000   2.3327   1.5889   1.1515   1.5889   1.1515 0.000000 0.000000 
1 1 1    0    9   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10    4 o  191.101   14.837  4425.50  660.263  4425.50  660.263  4425.50  660.263  191.101   14.837  191.101   14.837 0.000000 0.000000 
1 1 1    0   10    5 o  437.052   34.726 23894.60  3531.76 23894.60  3531.76 23894.60  3531.76  437.052   34.726  437.052   34.726 -0.000000 0.000000 
1 1 1    0   10    6 o  180.099   13.911  3919.50  583.470  3919.50  583.470  3919.50  583.470  180.099   13.911  180.099   13.911 -0.000000 0.000000 
1 1 1    0   10    7 o   64.058   5.2988  494.700   78.889  494.700   78.889  494.700   78.889   64.058   5.2988   64.058   5.2988 0.000000 0.000000 
1 1 1    0   10    8 o  206.113   15.887  5133.20  762.646  5133.20  762.646  5133.20  762.646  206.113   15.887  206.113   15.887 0.000000 0.000000 
1 1 1    0   10    9 f  363.287   28.124 16121.40  2379.40 16121.40  2379.40 16121.40  2379.40  363.287   28.124  363.287   28.124 -0.000000 0.000000 
1 1 1    0   10   10 o  226.322   17.415  6193.20  918.050  6193.20  918.050  6193.20  918.050  226.322   17.415  226.322   17.415 0.000000 0.000000 
1 1 1    0   10   11 o  276.034   21.275  9244.60  1367.78  9244.60  1367.78  9244.60  1367.78  276.034   21.275  276.034   21.275 0.000000 0.000000 
1 1 1    0   10   12 o   32.653   3.3290  129.800   25.057  129.800   25.057  129.800   25.057   32.653   3.3290   32.653   3.3290 0.000000 0.000000 
1 1 1    0   10   13 o   49.113   4.2961  291.400   48.946  291.400   48.946  291.400   48.946   49.113   4.2961   49.113   4.2961 -0.000000 0.000000 
1 1 1    0   10   14 o  400.097   31.329 19734.20  2918.16 19734.20  2918.16 19734.20  2918.16  400.097   31.329  400.097   31.329 0.000000 0.000000 
1 1 1    0   10   15 o  233.669   18.035  6622.90  981.506  6622.90  981.506  6622.90  981.506  233.669   18.035  233.669   18.035 -0.000000 0.000000 
1 1 1    0   10   16 o  197.323   15.251  4716.00  700.861  4716.00  700.861  4716.00  700.861  197.323   15.251  197.323   15.251 0.000000 0.000000 
1 1 1    0   10   17 o  275.431   21.407  9283.60  1372.96  9283.60  1372.96  9283.60  1372.96  275.431   21.407  275.431   21.407 0.000000 0.000000 
1 1 1    0   10   18 o  130.950   10.215  2071.20  311.446  2071.20  311.446  2071.20  311.446  130.950   10.215  130.950   10.215 0.000000 0.000000 
1 1 1    0   10   19 o  173.883   13.499  3669.20  546.566  3669.20  546.566  3669.20  546.566  173.883   13.499  173.883   13.499 -0.000000 0.000000 
1 1 1    0   10   20 o  118.650   9.2956  1701.40  256.763  1701.40  256.763  1701.40  256.763  118.650   9.2956  118.650   9.2956 0.000000 0.000000 
1 1 1    0   10   21 o   83.930   6.7182  850.100  131.184  850.100  131.184  850.100  131.184   83.930   6.7182   83.930   6.7182 -0.000000 0.000000 
1 1 1    0   10   22 o   29.195   3.0695  104.000   20.626  104.000   20.626  104.000   20.626   29.195   3.0695   29.195   3.0695 0.000000 0.000000 
1 1 1    0   10   23 o  215.564   16.862  5710.40  846.216  5710.40  846.216  5710.40  846.216  215.564   16.862  215.564   16.862 0.000000 0.000000 
1 1 1    0   10   24 o  137.786   10.771  2304.20  345.535  2304.20  345.535  2304.20  345.535  137.786   10.771  137.786   10.771 0.000000 0.000000 
1 1 1    0   10   25 o  174.624   13.631  3724.60  554.213  3724.60  554.213  3724.60  554.213  174.624   13.631  174.624   13.631 -0.000000 0.000000 
1 1 1    0   10   26 f  181.953   14.226  4054.10  602.622  4054.10  602.622  4054.10  602.622  181.953   14.226  181.953   14.226 -0.000000 0.000000 
1 1 1    0   10   27 o   73.221   5.9566  647.800  101.423  647.800  101.423  647.800  101.423   73.221   5.9566   73.221   5.9566 0.000000 0.000000 
1 1 1    0   10   28 o   74.175   6.0393  665.100  104.167  665.100  104.167  665.100  104.167   74.175   6.0393   74.175   6.0393 0.000000 0.000000 
1 1 1    0   10   29 o  159.019   12.496  3101.60  462.557  3101.60  462.557  3101.60  462.557  159.019   12.496  159.019   12.496 -0.000000 0.000000 
1 1 1    0   10   30 o   36.685   3.5028  163.500   29.708  163.500   29.708  163.500   29.708   36.685   3.5028   36.685   3.5028 -0.000000 0.000000 
1 1 1    0   10   31 o   99.800   7.9505  1212.70  184.630  1212.70  184.630  1212.70  184.630   99.800   7.9505   99.800   7.9505 -0.000000 0.000000 
1 1 1    0   10   32 o   63.609   5.2942  490.800   78.254  490.800   78.254  490.800   78.254   63.609   5.2942   63.609   5.2942 -0.000000 0.000000 
1 1 1    0   10   33 o   16.447   2.6611   34.400   9.5232   34.400   9.5232   34.400   9.5232   16.447   2.6611   16.447   2.6611 0.000000 0.000000 
1 1 1    0   10   34 o  109.221   8.7869  1475.20  223.249  1475.20  223.249  1475.20  223.249  109.221   8.7869  109.221   8.7869 -0.000000 0.000000 
1 1 1    0   10   35 o   62.554   5.2495  477.200   76.286  477.200   76.286  477.200   76.286   62.554   5.2495   62.554   5.2495 0.000000 0.000000 
1 1 1    0   10   36 o   80.917   6.6262  805.600  124.656  805.600  124.656  805.600  124.656   80.917   6.6262   80.917   6.6262 -0.000000 0.000000 
1 1 1    0   10   37 o   65.845   5.5094  531.400   84.282  531.400   84.282  531.400   84.282   65.845   5.5094   65.845   5.5094 0.000000 0.000000 
1 1 1    0   10   38 o   26.928   2.9868   89.200   18.395   89.200   18.395   89.200   18.395   26.928   2.9868   26.928   2.9868 -0.000000 0.000000 
1 1 1    0   10   39 o   25.285   2.9168   78.900   16.813   78.900   16.813   78.900   16.813   25.285   2.9168   25.285   2.9168 -0.000000 0.000000 
1 1 1    0   10   40 o   55.617   4.8072  380.400   62.049  380.400   62.049  380.400   62.049   55.617   4.8072   55.617   4.8072 -0.000000 0.000000 
1 1 1    0   10   41 o   38.160   3.6329  178.900   32.054  178.900   32.054  178.900   32.054   38.160   3.6329   38.160   3.6329 -0.000000 0.000000 
1 1 1    0   10   42 o   16.802   2.7090   36.100   9.9100   36.100   9.9100   36.100   9.9100   16.802   2.7090   16.802   2.7090 -0.000000 0.000000 
1 1 1    0   10   43 o   14.176   2.7174   26.400   8.1293   26.400   8.1293   26.400   8.1293   14.176   2.7174   14.176   2.7174 0.000000 0.000000 
1 1 1    0   10   44 o   22.910   2.8435   65.600   14.745   65.600   14.745   65.600   14.745   22.910   2.8435   22.910   2.8435 0.000000 0.000000 
1 1 1    0   10   45 o   31.075   3.2395  119.900   23.180  119.900   23.180  119.900   23.180   31.075   3.2395   31.075   3.2395 0.000000 0.000000 
1 1 1    0   10   46 o   8.6120   2.8910   11.400   5.2494   11.400   5.2494   11.400   5.2494   8.6120   2.8910   8.6120   2.8910 0.000000 0.000000 
1 1 1    0   10   47 f   19.231   2.7404   46.900   11.713   46.900   11.713   46.900   11.713   19.231   2.7404   19.231   2.7404 0.000000 0.000000 
1 1 1    0   10   48 o   11.395   2.8652   18.200   6.6681   18.200   6.6681   18.200   6.6681   11.395   2.8652   11.395   2.8652 -0.000000 0.000000 
1 1 1    0   10   49 o   23.604   2.9003   70.300   15.511   70.300   15.511   70.300   15.511   23.604   2.9003   23.604   2.9003 0.000000 0.000000 
1 1 1    0   10   50 o   9.6766   2.8920   13.900   5.7548   13.900   5.7548   13.900   5.7548   9.6766   2.8920   9.6766   2.8920 0.000000 0.000000 
1 1 1    0   10   51 o   21.803   2.8666   60.700   14.050   60.700   14.050   60.700   14.050   21.803   2.8666   21.803   2.8666 0.000000 0.000000 
1 1 1    0   10   52 o   6.3787   2.9177   7.2000   4.7897   7.2000   4.7897   7.2000   4.7897   6.3787   2.9177   6.3787   2.9177 -0.000000 0.000000 
1 1 1    0   10   53 o   22.914   3.0739   67.900   15.792   67.900   15.792   67.900   15.792   22.914   3.0739   22.914   3.0739 0.000000 0.000000 
1 1 1    0   10   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11    4 o   90.314   7.2091  982.700  151.491  982.700  151.491  982.700  151.491   90.314   7.2091   90.314   7.2091 -0.000000 0.000000 
1 1 1    0   11    5 o   32.348   3.3029  127.400   24.626  127.400   24.626  127.400   24.626   32.348   3.3029   32.348   3.3029 0.000000 0.000000 
1 1 1    0   11    6 o  196.311   15.170  4655.00  693.573  4655.00  693.573  4655.00  693.573  196.311   15.170  196.311   15.170 0.000000 0.000000 
1 1 1    0   11    7 o  201.818   15.550  4919.00  730.954  4919.00  730.954  4919.00  730.954  201.818   15.550  201.818   15.550 0.000000 0.000000 
1 1 1    0   11    8 o  255.489   19.672  7905.40  1170.65  7905.40  1170.65  7905.40  1170.65  255.489   19.672  255.489   19.672 0.000000 0.000000 
1 1 1    0   11    9 o  220.538   16.976  5878.90  871.991  5878.90  871.991  5878.90  871.991  220.538   16.976  220.538   16.976 0.000000 0.000000 
1 1 1    0   11   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   12 o  201.286   15.514  4896.20  727.310  4896.20  727.310  4896.20  727.310  201.286   15.514  201.286   15.514 0.000000 0.000000 
1 1 1    0   11   13 o   97.060   7.6747  1134.70  173.368  1134.70  173.368  1134.70  173.368   97.060   7.6747   97.060   7.6747 0.000000 0.000000 
1 1 1    0   11   14 f   39.622   3.7244  190.300   34.139  190.300   34.139  190.300   34.139   39.622   3.7244   39.622   3.7244 -0.000000 0.000000 
1 1 1    0   11   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   16 o  403.540   31.954 20344.00  3001.01 20344.00  3001.01 20344.00  3001.01  403.540   31.954  403.540   31.954 0.000000 0.000000 
1 1 1    0   11   17 o  349.885   27.571 15208.20  2245.42 15208.20  2245.42 15208.20  2245.42  349.885   27.571  349.885   27.571 0.000000 0.000000 
1 1 1    0   11   18 o  291.328   22.822 10472.20  1547.81 10472.20  1547.81 10472.20  1547.81  291.328   22.822  291.328   22.822 0.000000 0.000000 
1 1 1    0   11   19 o  207.729   16.158  5264.80  781.552  5264.80  781.552  5264.80  781.552  207.729   16.158  207.729   16.158 0.000000 0.000000 
1 1 1    0   11   20 o   79.596   6.4155  764.500  118.780  764.500  118.780  764.500  118.780   79.596   6.4155   79.596   6.4155 -0.000000 0.000000 
1 1 1    0   11   21 o   36.132   3.4732  158.500   29.005  158.500   29.005  158.500   29.005   36.132   3.4732   36.132   3.4732 -0.000000 0.000000 
1 1 1    0   11   22 o   42.449   3.8532  218.200   37.892  218.200   37.892  218.200   37.892   42.449   3.8532   42.449   3.8532 -0.000000 0.000000 
1 1 1    0   11   23 o   46.946   4.1412  266.600   45.087  266.600   45.087  266.600   45.087   46.946   4.1412   46.946   4.1412 -0.000000 0.000000 
1 1 1    0   11   24 o  101.954   8.0524  1256.90  191.079  1256.90  191.079  1256.90  191.079  101.954   8.0524  101.954   8.0524 0.000000 0.000000 
1 1 1    0   11   25 o  152.561   11.909  2832.70  422.998  2832.70  422.998  2832.70  422.998  152.561   11.909  152.561   11.909 0.000000 0.000000 
1 1 1    0   11   26 o  111.005   8.7407  1492.50  225.844  1492.50  225.844  1492.50  225.844  111.005   8.7407  111.005   8.7407 -0.000000 0.000000 
1 1 1    0   11   27 o  187.568   14.729  4325.30  643.128  4325.30  643.128  4325.30  643.128  187.568   14.729  187.568   14.729 -0.000000 0.000000 
1 1 1    0   11   28 o   58.116   4.9089  408.400   66.261  408.400   66.261  408.400   66.261   58.116   4.9089   58.116   4.9089 0.000000 0.000000 
1 1 1    0   11   29 f   48.135   4.2209  280.500   47.128  280.500   47.128  280.500   47.128   48.135   4.2209   48.135   4.2209 0.000000 0.000000 
1 1 1    0   11   30 o   4.4240   2.2050   3.4000   2.7992   3.4000   2.7992   3.4000   2.7992   4.4240   2.2050   4.4240   2.2050 0.000000 0.000000 
1 1 1    0   11   31 o   51.859   4.4784  325.900   53.901  325.900   53.901  325.900   53.901   51.859   4.4784   51.859   4.4784 0.000000 0.000000 
1 1 1    0   11   32 o   18.939   2.6828   44.900   11.303   44.900   11.303   44.900   11.303   18.939   2.6828   18.939   2.6828 0.000000 0.000000 
1 1 1    0   11   33 o  149.622   12.098  2818.60  421.024  2818.60  421.024  2818.60  421.024  149.622   12.098  149.622   12.098 0.000000 0.000000 
1 1 1    0   11   34 o   88.554   7.1769  962.200  147.806  962.200  147.806  962.200  147.806   88.554   7.1769   88.554   7.1769 0.000000 0.000000 
1 1 1    0   11   35 o   37.668   3.5786  173.000   31.171  173.000   31.171  173.000   31.171   37.668   3.5786   37.668   3.5786 0.000000 0.000000 
1 1 1    0   11   36 o   38.899   3.6638  184.600   32.968  184.600   32.968  184.600   32.968   38.899   3.6638   38.899   3.6638 0.000000 0.000000 
1 1 1    0   11   37 o   57.510   4.9121  404.500   65.588  404.500   65.588  404.500   65.588   57.510   4.9121   57.510   4.9121 0.000000 0.000000 
1 1 1    0   11   38 o   36.367   3.5057  161.700   29.462  161.700   29.462  161.700   29.462   36.367   3.5057   36.367   3.5057 0.000000 0.000000 
1 1 1    0   11   39 o   24.195   2.8695   72.400   15.787   72.400   15.787   72.400   15.787   24.195   2.8695   24.195   2.8695 0.000000 0.000000 
1 1 1    0   11   40 o   38.348   3.6363  180.300   32.248  180.300   32.248  180.300   32.248   38.348   3.6363   38.348   3.6363 -0.000000 0.000000 
1 1 1    0   11   41 o   69.400   5.8788  602.500   94.750  602.500   94.750  602.500   94.750   69.400   5.8788   69.400   5.8788 0.000000 0.000000 
1 1 1    0   11   42 o   47.702   4.2873  281.800   47.395  281.800   47.395  281.800   47.395   47.702   4.2873   47.702   4.2873 -0.000000 0.000000 
1 1 1    0   11   43 o   31.751   3.2650  124.700   23.886  124.700   23.886  124.700   23.886   31.751   3.2650   31.751   3.2650 -0.000000 0.000000 
1 1 1    0   11   44 o   19.023   2.7284   45.800   11.524   45.800   11.524   45.800   11.524   19.023   2.7284   19.023   2.7284 -0.000000 0.000000 
1 1 1    0   11   45 o   9.4849   2.8721   13.300   5.6127   13.300   5.6127   13.300   5.6127   9.4849   2.8721   9.4849   2.8721 0.000000 0.000000 
1 1 1    0   11   46 f   13.655   2.7580   24.800   7.8781   24.800   7.8781   24.800   7.8781   13.655   2.7580   13.655   2.7580 -0.000000 0.000000 
1 1 1    0   11   47 o   23.577   2.8878   69.700   15.432   69.700   15.432   69.700   15.432   23.577   2.8878   23.577   2.8878 0.000000 0.000000 
1 1 1    0   11   48 o   5.9652   2.5993   6.1000   3.7997   6.1000   3.7997   6.1000   3.7997   5.9652   2.5993   5.9652   2.5993 -0.000000 0.000000 
1 1 1    0   11   49 o   5.5984   2.5987   5.5000   3.8054   5.5000   3.8054   5.5000   3.8054   5.5984   2.5987   5.5984   2.5987 -0.000000 0.000000 
1 1 1    0   11   50 o   40.957   3.9642  214.800   37.515  214.800   37.515  214.800   37.515   40.957   3.9642   40.957   3.9642 0.000000 0.000000 
1 1 1    0   11   51 o   1.6345   1.1305  -1.2000   1.4858  -1.2000   1.4858  -1.2000   1.4858   1.6345   1.1305   1.6345   1.1305 -0.000000 0.000000 
1 1 1    0   11   52 o   27.658   3.1820   97.700   20.068   97.700   20.068   97.700   20.068   27.658   3.1820   27.658   3.1820 0.000000 0.000000 
1 1 1    0   11   53 o   32.103   3.5064  133.200   25.775  133.200   25.775  133.200   25.775   32.103   3.5064   32.103   3.5064 -0.000000 0.000000 
1 1 1    0   11   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   11   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    2 o   85.296   6.8609  876.500  136.131  876.500  136.131  876.500  136.131   85.296   6.8609   85.296   6.8609 -0.000000 0.000000 
1 1 1    0   12    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12    5 o   28.167   3.0780   97.000   19.851   97.000   19.851   97.000   19.851   28.167   3.0780   28.167   3.0780 0.000000 0.000000 
1 1 1    0   12    6 o  263.514   20.335  8414.60  1248.04  8414.60  1248.04  8414.60  1248.04  263.514   20.335  263.514   20.335 -0.000000 0.000000 
1 1 1    0   12    7 o  135.340   10.520  2206.60  331.548  2206.60  331.548  2206.60  331.548  135.340   10.520  135.340   10.520 -0.000000 0.000000 
1 1 1    0   12    8 f   99.339   7.8429  1188.30  181.338  1188.30  181.338  1188.30  181.338   99.339   7.8429   99.339   7.8429 -0.000000 0.000000 
1 1 1    0   12    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   10 o  289.038   22.298 10151.60  1501.07 10151.60  1501.07 10151.60  1501.07  289.038   22.298  289.038   22.298 -0.000000 0.000000 
1 1 1    0   12   11 o  190.719   14.709  4393.30  653.371  4393.30  653.371  4393.30  653.371  190.719   14.709  190.719   14.709 -0.000000 0.000000 
1 1 1    0   12   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   13 o   70.161   5.7338  593.300   93.535  593.300   93.535  593.300   93.535   70.161   5.7338   70.161   5.7338 0.000000 0.000000 
1 1 1    0   12   14 o  314.852   24.475 12144.10  1794.36 12144.10  1794.36 12144.10  1794.36  314.852   24.475  314.852   24.475 -0.000000 0.000000 
1 1 1    0   12   15 o  180.151   13.939  3928.30  584.805  3928.30  584.805  3928.30  584.805  180.151   13.939  180.151   13.939 -0.000000 0.000000 
1 1 1    0   12   16 o  273.784   21.305  9182.60  1358.17  9182.60  1358.17  9182.60  1358.17  273.784   21.305  273.784   21.305 -0.000000 0.000000 
1 1 1    0   12   17 o   77.439   6.2629  723.200  112.801  723.200  112.801  723.200  112.801   77.439   6.2629   77.439   6.2629 -0.000000 0.000000 
1 1 1    0   12   18 o   34.623   3.4076  145.700   27.240  145.700   27.240  145.700   27.240   34.623   3.4076   34.623   3.4076 -0.000000 0.000000 
1 1 1    0   12   19 o   7.7124   2.8445   9.4000   4.7975   9.4000   4.7975   9.4000   4.7975   7.7124   2.8445   7.7124   2.8445 0.000000 0.000000 
1 1 1    0   12   20 o  216.890   16.925  5762.60  854.684  5762.60  854.684  5762.60  854.684  216.890   16.925  216.890   16.925 0.000000 0.000000 
1 1 1    0   12   21 o   43.425   3.9215  228.300   39.458  228.300   39.458  228.300   39.458   43.425   3.9215   43.425   3.9215 0.000000 0.000000 
1 1 1    0   12   22 o  196.039   15.314  4704.70  698.974  4704.70  698.974  4704.70  698.974  196.039   15.314  196.039   15.314 -0.000000 0.000000 
1 1 1    0   12   23 f  113.125   8.8906  1548.70  234.120  1548.70  234.120  1548.70  234.120  113.125   8.8906  113.125   8.8906 -0.000000 0.000000 
1 1 1    0   12   24 o   19.303   2.6820   46.500   11.551   46.500   11.551   46.500   11.551   19.303   2.6820   19.303   2.6820 -0.000000 0.000000 
1 1 1    0   12   25 o  134.057   10.501  2182.30  327.737  2182.30  327.737  2182.30  327.737  134.057   10.501  134.057   10.501 0.000000 0.000000 
1 1 1    0   12   26 o   93.755   7.4649  1063.30  162.854  1063.30  162.854  1063.30  162.854   93.755   7.4649   93.755   7.4649 0.000000 0.000000 
1 1 1    0   12   27 o   39.666   3.6825  190.800   33.809  190.800   33.809  190.800   33.809   39.666   3.6825   39.666   3.6825 -0.000000 0.000000 
1 1 1    0   12   28 o   48.173   4.2282  280.900   47.245  280.900   47.245  280.900   47.245   48.173   4.2282   48.173   4.2282 -0.000000 0.000000 
1 1 1    0   12   29 o   14.577   2.6719   27.500   8.2846   27.500   8.2846   27.500   8.2846   14.577   2.6719   14.577   2.6719 0.000000 0.000000 
1 1 1    0   12   30 o   23.111   2.8109   65.900   14.735   65.900   14.735   65.900   14.735   23.111   2.8109   23.111   2.8109 0.000000 0.000000 
1 1 1    0   12   31 o   58.845   4.9630  419.800   67.835  419.800   67.835  419.800   67.835   58.845   4.9630   58.845   4.9630 -0.000000 0.000000 
1 1 1    0   12   32 o   82.707   6.6971  833.700  128.822  833.700  128.822  833.700  128.822   82.707   6.6971   82.707   6.6971 -0.000000 0.000000 
1 1 1    0   12   33 o   44.270   4.0038  238.300   41.067  238.300   41.067  238.300   41.067   44.270   4.0038   44.270   4.0038 -0.000000 0.000000 
1 1 1    0   12   34 o   34.763   3.4005  147.400   27.301  147.400   27.301  147.400   27.301   34.763   3.4005   34.763   3.4005 0.000000 0.000000 
1 1 1    0   12   35 o  152.037   12.662  2997.40  447.330  2997.40  447.330  2997.40  447.330  152.037   12.662  152.037   12.662 -0.000000 0.000000 
1 1 1    0   12   36 o   77.688   6.3948  742.700  115.484  742.700  115.484  742.700  115.484   77.688   6.3948   77.688   6.3948 -0.000000 0.000000 
1 1 1    0   12   37 o   8.2158   2.7616   10.300   4.7856   10.300   4.7856   10.300   4.7856   8.2158   2.7616   8.2158   2.7616 -0.000000 0.000000 
1 1 1    0   12   38 o   73.182   6.0824  661.200  103.438  661.200  103.438  661.200  103.438   73.182   6.0824   73.182   6.0824 -0.000000 0.000000 
1 1 1    0   12   39 o   72.502   6.0576  651.500  102.043  651.500  102.043  651.500  102.043   72.502   6.0576   72.502   6.0576 -0.000000 0.000000 
1 1 1    0   12   40 o   7.6442   2.7649   9.2000   4.5786   9.2000   4.5786   9.2000   4.5786   7.6442   2.7649   7.6442   2.7649 -0.000000 0.000000 
1 1 1    0   12   41 o   42.503   3.9193  222.500   38.568  222.500   38.568  222.500   38.568   42.503   3.9193   42.503   3.9193 0.000000 0.000000 
1 1 1    0   12   42 o   25.643   2.9511   81.600   17.255   81.600   17.255   81.600   17.255   25.643   2.9511   25.643   2.9511 0.000000 0.000000 
1 1 1    0   12   43 o   21.383   2.7823   57.300   13.391   57.300   13.391   57.300   13.391   21.383   2.7823   21.383   2.7823 -0.000000 0.000000 
1 1 1    0   12   44 o   12.327   2.8082   20.700   7.1240   20.700   7.1240   20.700   7.1240   12.327   2.8082   12.327   2.8082 -0.000000 0.000000 
1 1 1    0   12   45 o   27.835   3.0746   96.400   19.579   96.400   19.579   96.400   19.579   27.835   3.0746   27.835   3.0746 0.000000 0.000000 
1 1 1    0   12   46 o   15.843   2.7083   32.500   9.2428   32.500   9.2428   32.500   9.2428   15.843   2.7083   15.843   2.7083 -0.000000 0.000000 
1 1 1    0   12   47 o   2.1218   1.3935  -0.3000   1.7584  -0.3000   1.7584  -0.3000   1.7584   2.1218   1.3935   2.1218   1.3935 -0.000000 0.000000 
1 1 1    0   12   48 o   14.595   2.7989   28.200   8.6195   28.200   8.6195   28.200   8.6195   14.595   2.7989   14.595   2.7989 -0.000000 0.000000 
1 1 1    0   12   49 o   22.570   2.8760   64.500   14.649   64.500   14.649   64.500   14.649   22.570   2.8760   22.570   2.8760 0.000000 0.000000 
1 1 1    0   12   50 f   15.174   2.7657   30.400   8.9357   30.400   8.9357   30.400   8.9357   15.174   2.7657   15.174   2.7657 0.000000 0.000000 
1 1 1    0   12   51 o   17.151   2.7703   38.300   10.342   38.300   10.342   38.300   10.342   17.151   2.7703   17.151   2.7703 0.000000 0.000000 
1 1 1    0   12   52 o   18.313   2.8670   43.700   11.491   43.700   11.491   43.700   11.491   18.313   2.8670   18.313   2.8670 -0.000000 0.000000 
1 1 1    0   12   53 o   1.6377   1.1922  -5.9000   2.6601  -5.9000   2.6601  -5.9000   2.6601   1.6377   1.1922   1.6377   1.1922 -0.000000 0.000000 
1 1 1    0   12   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   12   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13    2 o  114.707   9.0142  1584.70  240.694  1584.70  240.694  1584.70  240.694  114.707   9.0142  114.707   9.0142 0.000000 0.000000 
1 1 1    0   13    3 o   80.695   6.5120  784.400  122.226  784.400  122.226  784.400  122.226   80.695   6.5120   80.695   6.5120 0.000000 0.000000 
1 1 1    0   13    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13    6 o   63.495   5.3077  486.200   78.301  486.200   78.301  486.200   78.301   63.495   5.3077   63.495   5.3077 -0.000000 0.000000 
1 1 1    0   13    7 o  203.724   15.750  5014.10  747.250  5014.10  747.250  5014.10  747.250  203.724   15.750  203.724   15.750 -0.000000 0.000000 
1 1 1    0   13    8 o  174.320   13.459  3666.20  546.402  3666.20  546.402  3666.20  546.402  174.320   13.459  174.320   13.459 0.000000 0.000000 
1 1 1    0   13    9 f  334.515   25.961 13657.50  2022.28 13657.50  2022.28 13657.50  2022.28  334.515   25.961  334.515   25.961 -0.000000 0.000000 
1 1 1    0   13   10 o   32.207   3.2476  126.200   24.123  126.200   24.123  126.200   24.123   32.207   3.2476   32.207   3.2476 -0.000000 0.000000 
1 1 1    0   13   11 o  155.733   12.058  2925.60  437.291  2925.60  437.291  2925.60  437.291  155.733   12.058  155.733   12.058 0.000000 0.000000 
1 1 1    0   13   12 o  243.614   18.801  7203.00  1066.71  7203.00  1066.71  7203.00  1066.71  243.614   18.801  243.614   18.801 0.000000 0.000000 
1 1 1    0   13   13 o  121.849   9.5213  1790.10  270.108  1790.10  270.108  1790.10  270.108  121.849   9.5213  121.849   9.5213 0.000000 0.000000 
1 1 1    0   13   14 o  141.861   11.026  2429.70  364.215  2429.70  364.215  2429.70  364.215  141.861   11.026  141.861   11.026 -0.000000 0.000000 
1 1 1    0   13   15 f   61.775   5.1513  460.400   73.941  460.400   73.941  460.400   73.941   61.775   5.1513   61.775   5.1513 -0.000000 0.000000 
1 1 1    0   13   16 o  112.180   8.8122  1518.70  230.119  1518.70  230.119  1518.70  230.119  112.180   8.8122  112.180   8.8122 -0.000000 0.000000 
1 1 1    0   13   17 o  160.346   12.462  3116.20  465.314  3116.20  465.314  3116.20  465.314  160.346   12.462  160.346   12.462 0.000000 0.000000 
1 1 1    0   13   18 o  160.909   12.511  3141.40  468.762  3141.40  468.762  3141.40  468.762  160.909   12.511  160.909   12.511 0.000000 0.000000 
1 1 1    0   13   19 o  105.282   8.2996  1338.90  203.387  1338.90  203.387  1338.90  203.387  105.282   8.2996  105.282   8.2996 -0.000000 0.000000 
1 1 1    0   13   20 o   69.521   5.6981  583.400   92.098  583.400   92.098  583.400   92.098   69.521   5.6981   69.521   5.6981 0.000000 0.000000 
1 1 1    0   13   21 o   72.964   5.9445  642.700  100.857  642.700  100.857  642.700  100.857   72.964   5.9445   72.964   5.9445 -0.000000 0.000000 
1 1 1    0   13   22 o  134.815   10.547  2204.50  331.024  2204.50  331.024  2204.50  331.024  134.815   10.547  134.815   10.547 0.000000 0.000000 
1 1 1    0   13   23 o   4.6538   2.4436   3.7000   3.5508   3.7000   3.5508   3.7000   3.5508   4.6538   2.4436   4.6538   2.4436 -0.000000 0.000000 
1 1 1    0   13   24 o  226.392   17.816  6334.30  938.839  6334.30  938.839  6334.30  938.839  226.392   17.816  226.392   17.816 -0.000000 0.000000 
1 1 1    0   13   25 o  287.202   23.045 10424.80  1539.73 10424.80  1539.73 10424.80  1539.73  287.202   23.045  287.202   23.045 -0.000000 0.000000 
1 1 1    0   13   26 o  229.331   18.166  6539.60  969.544  6539.60  969.544  6539.60  969.544  229.331   18.166  229.331   18.166 0.000000 0.000000 
1 1 1    0   13   27 o   34.735   3.4400  146.800   27.580  146.800   27.580  146.800   27.580   34.735   3.4400   34.735   3.4400 0.000000 0.000000 
1 1 1    0   13   28 o   81.649   6.5756  807.000  124.888  807.000  124.888  807.000  124.888   81.649   6.5756   81.649   6.5756 0.000000 0.000000 
1 1 1    0   13   29 o   6.0731   2.5996   6.2000   3.8084   6.2000   3.8084   6.2000   3.8084   6.0731   2.5996   6.0731   2.5996 0.000000 0.000000 
1 1 1    0   13   30 o   70.473   5.7822  602.100   94.732  602.100   94.732  602.100   94.732   70.473   5.7822   70.473   5.7822 0.000000 0.000000 
1 1 1    0   13   31 f   48.188   4.2382  281.700   47.368  281.700   47.368  281.700   47.368   48.188   4.2382   48.188   4.2382 -0.000000 0.000000 
1 1 1    0   13   32 o  130.321   10.462  2111.30  317.170  2111.30  317.170  2111.30  317.170  130.321   10.462  130.321   10.462 0.000000 0.000000 
1 1 1    0   13   33 o   25.569   2.9206   80.400   17.040   80.400   17.040   80.400   17.040   25.569   2.9206   25.569   2.9206 -0.000000 0.000000 
1 1 1    0   13   34 o   63.754   5.3367  495.900   79.046  495.900   79.046  495.900   79.046   63.754   5.3367   63.754   5.3367 -0.000000 0.000000 
1 1 1    0   13   35 o   38.990   3.6651  185.400   33.060  185.400   33.060  185.400   33.060   38.990   3.6651   38.990   3.6651 -0.000000 0.000000 
1 1 1    0   13   36 o   62.470   5.2635  477.700   76.375  477.700   76.375  477.700   76.375   62.470   5.2635   62.470   5.2635 0.000000 0.000000 
1 1 1    0   13   37 o   46.065   4.1280  259.200   44.073  259.200   44.073  259.200   44.073   46.065   4.1280   46.065   4.1280 -0.000000 0.000000 
1 1 1    0   13   38 o   20.466   2.7406   52.300   12.578   52.300   12.578   52.300   12.578   20.466   2.7406   20.466   2.7406 0.000000 0.000000 
1 1 1    0   13   39 o  107.191   8.9652  1475.00  223.274  1475.00  223.274  1475.00  223.274  107.191   8.9652  107.191   8.9652 0.000000 0.000000 
1 1 1    0   13   40 o   45.699   4.1202  256.800   43.631  256.800   43.631  256.800   43.631   45.699   4.1202   45.699   4.1202 0.000000 0.000000 
1 1 1    0   13   41 o   18.642   2.7123   43.900   11.202   43.900   11.202   43.900   11.202   18.642   2.7123   18.642   2.7123 0.000000 0.000000 
1 1 1    0   13   42 o   27.233   3.0265   91.900   18.848   91.900   18.848   91.900   18.848   27.233   3.0265   27.233   3.0265 0.000000 0.000000 
1 1 1    0   13   43 o   39.724   3.7639  195.700   34.578  195.700   34.578  195.700   34.578   39.724   3.7639   39.724   3.7639 -0.000000 0.000000 
1 1 1    0   13   44 o   47.782   4.3310  285.400   47.944  285.400   47.944  285.400   47.944   47.782   4.3310   47.782   4.3310 -0.000000 0.000000 
1 1 1    0   13   45 o   18.685   2.7160   44.300   11.245   44.300   11.245   44.300   11.245   18.685   2.7160   18.685   2.7160 -0.000000 0.000000 
1 1 1    0   13   46 o   24.951   2.9405   77.800   16.693   77.800   16.693   77.800   16.693   24.951   2.9405   24.951   2.9405 0.000000 0.000000 
1 1 1    0   13   47 o   5.2690   2.5920   4.9000   3.8476   4.9000   3.8476   4.9000   3.8476   5.2690   2.5920   5.2690   2.5920 -0.000000 0.000000 
1 1 1    0   13   48 o   5.9376   2.6416   6.1000   3.9214   6.1000   3.9214   6.1000   3.9214   5.9376   2.6416   5.9376   2.6416 -0.000000 0.000000 
1 1 1    0   13   49 o   7.1832   2.8057   8.5000   4.5470   8.5000   4.5470   8.5000   4.5470   7.1832   2.8057   7.1832   2.8057 -0.000000 0.000000 
1 1 1    0   13   50 o   6.9599   2.7957   8.1000   4.4698   8.1000   4.4698   8.1000   4.4698   6.9599   2.7957   6.9599   2.7957 -0.000000 0.000000 
1 1 1    0   13   51 o   1.0687   0.7707  -1.8000   0.9829  -1.8000   0.9829  -1.8000   0.9829   1.0687   0.7707   1.0687   0.7707 -0.000000 0.000000 
1 1 1    0   13   52 o   54.819   5.2428  409.100   66.440  409.100   66.440  409.100   66.440   54.819   5.2428   54.819   5.2428 0.000000 0.000000 
1 1 1    0   13   53 o   2.3537   1.6343  -2.7000   3.1834  -2.7000   3.1834  -2.7000   3.1834   2.3537   1.6343   2.3537   1.6343 -0.000000 0.000000 
1 1 1    0   13   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   13   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14    2 o  103.096   8.1762  1280.20  196.166  1280.20  196.166  1280.20  196.166  103.096   8.1762  103.096   8.1762 0.000000 0.000000 
1 1 1    0   14    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14    4 o  190.663   14.741  4388.70  654.532  4388.70  654.532  4388.70  654.532  190.663   14.741  190.663   14.741 0.000000 0.000000 
1 1 1    0   14    5 o  528.180   41.850 34823.60  5144.21 34823.60  5144.21 34823.60  5144.21  528.180   41.850  528.180   41.850 0.000000 0.000000 
1 1 1    0   14    6 o  263.478   20.370  8419.00  1249.91  8419.00  1249.91  8419.00  1249.91  263.478   20.370  263.478   20.370 -0.000000 0.000000 
1 1 1    0   14    7 o  257.451   19.891  8036.80  1192.64  8036.80  1192.64  8036.80  1192.64  257.451   19.891  257.451   19.891 -0.000000 0.000000 
1 1 1    0   14    8 o   53.871   4.6436  350.400   58.061  350.400   58.061  350.400   58.061   53.871   4.6436   53.871   4.6436 -0.000000 0.000000 
1 1 1    0   14    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   10 o  399.893   31.357 19731.00  2919.12 19731.00  2919.12 19731.00  2919.12  399.893   31.357  399.893   31.357 0.000000 0.000000 
1 1 1    0   14   11 f  110.047   8.6408  1459.30  221.355  1459.30  221.355  1459.30  221.355  110.047   8.6408  110.047   8.6408 0.000000 0.000000 
1 1 1    0   14   12 o  207.370   16.019  5211.50  773.631  5211.50  773.631  5211.50  773.631  207.370   16.019  207.370   16.019 -0.000000 0.000000 
1 1 1    0   14   13 o   63.281   5.2516  483.000   77.231  483.000   77.231  483.000   77.231   63.281   5.2516   63.281   5.2516 0.000000 0.000000 
1 1 1    0   14   14 o  238.849   18.525  6954.80  1030.38  6954.80  1030.38  6954.80  1030.38  238.849   18.525  238.849   18.525 -0.000000 0.000000 
1 1 1    0   14   15 o   52.839   4.5369  337.200   55.648  337.200   55.648  337.200   55.648   52.839   4.5369   52.839   4.5369 -0.000000 0.000000 
1 1 1    0   14   16 o  183.566   14.246  4093.70  608.971  4093.70  608.971  4093.70  608.971  183.566   14.246  183.566   14.246 0.000000 0.000000 
1 1 1    0   14   17 o   62.976   5.2437  478.700   76.735  478.700   76.735  478.700   76.735   62.976   5.2437   62.976   5.2437 -0.000000 0.000000 
1 1 1    0   14   18 o   44.608   3.9988  240.800   41.344  240.800   41.344  240.800   41.344   44.608   3.9988   44.608   3.9988 0.000000 0.000000 
1 1 1    0   14   19 o   91.859   7.3102  1018.80  156.257  1018.80  156.257  1018.80  156.257   91.859   7.3102   91.859   7.3102 -0.000000 0.000000 
1 1 1    0   14   20 o   17.482   2.7054   38.600   10.372   38.600   10.372   38.600   10.372   17.482   2.7054   17.482   2.7054 -0.000000 0.000000 
1 1 1    0   14   21 o  212.005   16.651  5521.40  821.753  5521.40  821.753  5521.40  821.753  212.005   16.651  212.005   16.651 0.000000 0.000000 
1 1 1    0   14   22 o  115.911   9.1121  1626.50  245.860  1626.50  245.860  1626.50  245.860  115.911   9.1121  115.911   9.1121 0.000000 0.000000 
1 1 1    0   14   23 f   26.619   2.9705   86.800   18.076   86.800   18.076   86.800   18.076   26.619   2.9705   26.619   2.9705 0.000000 0.000000 
1 1 1    0   14   24 o  170.528   13.331  3552.60  529.280  3552.60  529.280  3552.60  529.280  170.528   13.331  170.528   13.331 0.000000 0.000000 
1 1 1    0   14   25 o  157.969   12.369  3045.90  454.881  3045.90  454.881  3045.90  454.881  157.969   12.369  157.969   12.369 0.000000 0.000000 
1 1 1    0   14   26 o   53.468   4.5808  345.700   56.859  345.700   56.859  345.700   56.859   53.468   4.5808   53.468   4.5808 -0.000000 0.000000 
1 1 1    0   14   27 o  101.876   8.0842  1258.60  191.660  1258.60  191.660  1258.60  191.660  101.876   8.0842  101.876   8.0842 0.000000 0.000000 
1 1 1    0   14   28 o   24.252   2.8733   72.400   15.846   72.400   15.846   72.400   15.846   24.252   2.8733   24.252   2.8733 -0.000000 0.000000 
1 1 1    0   14   29 o   49.987   4.3503  302.700   50.455  302.700   50.455  302.700   50.455   49.987   4.3503   49.987   4.3503 -0.000000 0.000000 
1 1 1    0   14   30 o  133.504   10.623  2197.70  330.006  2197.70  330.006  2197.70  330.006  133.504   10.623  133.504   10.623 -0.000000 0.000000 
1 1 1    0   14   31 o  115.215   9.2017  1634.00  246.672  1634.00  246.672  1634.00  246.672  115.215   9.2017  115.215   9.2017 -0.000000 0.000000 
1 1 1    0   14   32 o   86.066   6.9732  906.000  139.577  906.000  139.577  906.000  139.577   86.066   6.9732   86.066   6.9732 0.000000 0.000000 
1 1 1    0   14   33 o   6.8636   2.6491   7.6000   4.0731   7.6000   4.0731   7.6000   4.0731   6.8636   2.6491   6.8636   2.6491 -0.000000 0.000000 
1 1 1    0   14   34 o   74.652   6.1480  683.000  106.686  683.000  106.686  683.000  106.686   74.652   6.1480   74.652   6.1480 0.000000 0.000000 
1 1 1    0   14   35 o   13.167   2.7401   23.000   7.5120   23.000   7.5120   23.000   7.5120   13.167   2.7401   13.167   2.7401 -0.000000 0.000000 
1 1 1    0   14   36 o   36.484   3.5094  162.600   29.592  162.600   29.592  162.600   29.592   36.484   3.5094   36.484   3.5094 -0.000000 0.000000 
1 1 1    0   14   37 o   14.402   2.6892   27.000   8.2108   27.000   8.2108   27.000   8.2108   14.402   2.6892   14.402   2.6892 -0.000000 0.000000 
1 1 1    0   14   38 o   82.445   6.8311  847.200  130.889  847.200  130.889  847.200  130.889   82.445   6.8311   82.445   6.8311 -0.000000 0.000000 
1 1 1    0   14   39 o   56.476   4.8798  393.000   63.959  393.000   63.959  393.000   63.959   56.476   4.8798   56.476   4.8798 -0.000000 0.000000 
1 1 1    0   14   40 o   12.037   2.7679   19.700   6.8497   19.700   6.8497   19.700   6.8497   12.037   2.7679   12.037   2.7679 0.000000 0.000000 
1 1 1    0   14   41 o   47.640   4.2818  281.000   47.273  281.000   47.273  281.000   47.273   47.640   4.2818   47.640   4.2818 0.000000 0.000000 
1 1 1    0   14   42 o   37.078   3.5874  170.000   30.734  170.000   30.734  170.000   30.734   37.078   3.5874   37.078   3.5874 0.000000 0.000000 
1 1 1    0   14   43 o   36.911   3.5820  168.900   30.546  168.900   30.546  168.900   30.546   36.911   3.5820   36.911   3.5820 -0.000000 0.000000 
1 1 1    0   14   44 o   17.684   2.7180   39.900   10.552   39.900   10.552   39.900   10.552   17.684   2.7180   17.684   2.7180 -0.000000 0.000000 
1 1 1    0   14   45 o   13.442   2.7588   24.100   7.7383   24.100   7.7383   24.100   7.7383   13.442   2.7588   13.442   2.7588 -0.000000 0.000000 
1 1 1    0   14   46 o   8.6446   2.8437   11.400   5.1519   11.400   5.1519   11.400   5.1519   8.6446   2.8437   8.6446   2.8437 0.000000 0.000000 
1 1 1    0   14   47 o   18.387   2.7458   43.200   11.139   43.200   11.139   43.200   11.139   18.387   2.7458   18.387   2.7458 0.000000 0.000000 
1 1 1    0   14   48 o   28.546   3.1368  102.400   20.494  102.400   20.494  102.400   20.494   28.546   3.1368   28.546   3.1368 -0.000000 0.000000 
1 1 1    0   14   49 o   2.3431   1.5195  -0.1000   1.9982  -0.1000   1.9982  -0.1000   1.9982   2.3431   1.5195   2.3431   1.5195 0.000000 0.000000 
1 1 1    0   14   50 o   21.998   2.8609   61.700   14.166   61.700   14.166   61.700   14.166   21.998   2.8609   21.998   2.8609 0.000000 0.000000 
1 1 1    0   14   51 o   27.881   3.1680   99.000   20.162   99.000   20.162   99.000   20.162   27.881   3.1680   27.881   3.1680 -0.000000 0.000000 
1 1 1    0   14   52 o   2.7872   1.8148  -0.2000   2.8890  -0.2000   2.8890  -0.2000   2.8890   2.7872   1.8148   2.7872   1.8148 0.000000 0.000000 
1 1 1    0   14   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15    1 o  270.020   20.889  8845.80  1313.57  8845.80  1313.57  8845.80  1313.57  270.020   20.889  270.020   20.889 -0.000000 0.000000 
1 1 1    0   15    2 o   93.426   7.4395  1051.30  161.730  1051.30  161.730  1051.30  161.730   93.426   7.4395   93.426   7.4395 0.000000 0.000000 
1 1 1    0   15    3 o   67.307   5.5800  546.200   87.284  546.200   87.284  546.200   87.284   67.307   5.5800   67.307   5.5800 -0.000000 0.000000 
1 1 1    0   15    4 o  402.501   31.419 19911.00  2944.34 19911.00  2944.34 19911.00  2944.34  402.501   31.419  402.501   31.419 0.000000 0.000000 
1 1 1    0   15    5 o   22.374   2.8328   61.900   14.314   61.900   14.314   61.900   14.314   22.374   2.8328   22.374   2.8328 -0.000000 0.000000 
1 1 1    0   15    6 o  234.719   18.166  6673.30  992.984  6673.30  992.984  6673.30  992.984  234.719   18.166  234.719   18.166 -0.000000 0.000000 
1 1 1    0   15    7 o  197.171   15.246  4699.00  700.060  4699.00  700.060  4699.00  700.060  197.171   15.246  197.171   15.246 -0.000000 0.000000 
1 1 1    0   15    8 o  345.431   26.914 14616.00  2164.69 14616.00  2164.69 14616.00  2164.69  345.431   26.914  345.431   26.914 0.000000 0.000000 
1 1 1    0   15    9 o  174.817   13.569  3692.20  552.371  3692.20  552.371  3692.20  552.371  174.817   13.569  174.817   13.569 0.000000 0.000000 
1 1 1    0   15   10 o  303.498   23.616 11264.20  1668.90 11264.20  1668.90 11264.20  1668.90  303.498   23.616  303.498   23.616 0.000000 0.000000 
1 1 1    0   15   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   12 o  405.322   32.128 20543.50  3030.57 20543.50  3030.57 20543.50  3030.57  405.322   32.128  405.322   32.128 -0.000000 0.000000 
1 1 1    0   15   13 f   92.593   7.3609  1033.70  158.604  1033.70  158.604  1033.70  158.604   92.593   7.3609   92.593   7.3609 0.000000 0.000000 
1 1 1    0   15   14 o  425.520   34.287 23013.50  3393.72 23013.50  3393.72 23013.50  3393.72  425.520   34.287  425.520   34.287 -0.000000 0.000000 
1 1 1    0   15   15 o  236.991   18.457  6874.00  1018.50  6874.00  1018.50  6874.00  1018.50  236.991   18.457  236.991   18.457 -0.000000 0.000000 
1 1 1    0   15   16 o   61.274   5.1203  453.200   72.896  453.200   72.896  453.200   72.896   61.274   5.1203   61.274   5.1203 0.000000 0.000000 
1 1 1    0   15   17 o  117.984   9.2543  1682.70  254.178  1682.70  254.178  1682.70  254.178  117.984   9.2543  117.984   9.2543 0.000000 0.000000 
1 1 1    0   15   18 o  329.061   26.305 13638.00  2013.90 13638.00  2013.90 13638.00  2013.90  329.061   26.305  329.061   26.305 0.000000 0.000000 
1 1 1    0   15   19 o  102.253   8.1171  1263.70  193.151  1263.70  193.151  1263.70  193.151  102.253   8.1171  102.253   8.1171 -0.000000 0.000000 
1 1 1    0   15   20 o  187.345   14.659  4289.50  639.369  4289.50  639.369  4289.50  639.369  187.345   14.659  187.345   14.659 0.000000 0.000000 
1 1 1    0   15   21 o   96.303   7.6461  1120.80  171.354  1120.80  171.354  1120.80  171.354   96.303   7.6461   96.303   7.6461 0.000000 0.000000 
1 1 1    0   15   22 o   20.907   2.7724   54.300   13.015   54.300   13.015   54.300   13.015   20.907   2.7724   20.907   2.7724 0.000000 0.000000 
1 1 1    0   15   23 o  105.411   8.3254  1344.50  204.255  1344.50  204.255  1344.50  204.255  105.411   8.3254  105.411   8.3254 0.000000 0.000000 
1 1 1    0   15   24 o  238.677   18.905  7087.90  1050.09  7087.90  1050.09  7087.90  1050.09  238.677   18.905  238.677   18.905 -0.000000 0.000000 
1 1 1    0   15   25 o   99.894   7.9262  1208.10  184.259  1208.10  184.259  1208.10  184.259   99.894   7.9262   99.894   7.9262 0.000000 0.000000 
1 1 1    0   15   26 o   57.035   4.8428  393.400   64.141  393.400   64.141  393.400   64.141   57.035   4.8428   57.035   4.8428 0.000000 0.000000 
1 1 1    0   15   27 o  114.756   9.0553  1601.60  241.868  1601.60  241.868  1601.60  241.868  114.756   9.0553  114.756   9.0553 0.000000 0.000000 
1 1 1    0   15   28 o  144.742   11.447  2574.70  385.621  2574.70  385.621  2574.70  385.621  144.742   11.447  144.742   11.447 0.000000 0.000000 
1 1 1    0   15   29 o  112.524   8.9346  1547.40  233.956  1547.40  233.956  1547.40  233.956  112.524   8.9346  112.524   8.9346 0.000000 0.000000 
1 1 1    0   15   30 o   76.069   6.1993  703.300  109.654  703.300  109.654  703.300  109.654   76.069   6.1993   76.069   6.1993 -0.000000 0.000000 
1 1 1    0   15   31 o   14.714   2.6715   28.000   8.3752   28.000   8.3752   28.000   8.3752   14.714   2.6715   14.714   2.6715 0.000000 0.000000 
1 1 1    0   15   32 o   77.613   6.3404  735.700  114.418  735.700  114.418  735.700  114.418   77.613   6.3404   77.613   6.3404 0.000000 0.000000 
1 1 1    0   15   33 o   41.796   3.8302  212.700   37.072  212.700   37.072  212.700   37.072   41.796   3.8302   41.796   3.8302 -0.000000 0.000000 
1 1 1    0   15   34 o   54.607   4.6931  363.600   59.488  363.600   59.488  363.600   59.488   54.607   4.6931   54.607   4.6931 -0.000000 0.000000 
1 1 1    0   15   35 o   93.006   7.5949  1074.10  164.240  1074.10  164.240  1074.10  164.240   93.006   7.5949   93.006   7.5949 0.000000 0.000000 
1 1 1    0   15   36 o   60.708   5.1425  451.500   72.502  451.500   72.502  451.500   72.502   60.708   5.1425   60.708   5.1425 -0.000000 0.000000 
1 1 1    0   15   37 o   47.464   4.2203  275.500   46.441  275.500   46.441  275.500   46.441   47.464   4.2203   47.464   4.2203 -0.000000 0.000000 
1 1 1    0   15   38 o   4.3695   2.2623   3.3000   3.0112   3.3000   3.0112   3.3000   3.0112   4.3695   2.2623   4.3695   2.2623 0.000000 0.000000 
1 1 1    0   15   39 o   18.074   2.6940   41.300   10.745   41.300   10.745   41.300   10.745   18.074   2.6940   18.074   2.6940 -0.000000 0.000000 
1 1 1    0   15   40 o   92.756   7.8882  1112.10  169.901  1112.10  169.901  1112.10  169.901   92.756   7.8882   92.756   7.8882 0.000000 0.000000 
1 1 1    0   15   41 o   55.465   4.8588  383.600   62.515  383.600   62.515  383.600   62.515   55.465   4.8588   55.465   4.8588 -0.000000 0.000000 
1 1 1    0   15   42 o   27.346   3.0422   92.800   19.023   92.800   19.023   92.800   19.023   27.346   3.0422   27.346   3.0422 -0.000000 0.000000 
1 1 1    0   15   43 o   28.729   3.1223  102.500   20.547  102.500   20.547  102.500   20.547   28.729   3.1223   28.729   3.1223 0.000000 0.000000 
1 1 1    0   15   44 o   19.901   2.7542   50.000   12.236   50.000   12.236   50.000   12.236   19.901   2.7542   19.901   2.7542 0.000000 0.000000 
1 1 1    0   15   45 o   25.918   2.9803   83.800   17.614   83.800   17.614   83.800   17.614   25.918   2.9803   25.918   2.9803 0.000000 0.000000 
1 1 1    0   15   46 o   60.184   5.3471  465.600   74.611  465.600   74.611  465.600   74.611   60.184   5.3471   60.184   5.3471 0.000000 0.000000 
1 1 1    0   15   47 o   15.748   2.7333   32.300   9.2464   32.300   9.2464   32.300   9.2464   15.748   2.7333   15.748   2.7333 -0.000000 0.000000 
1 1 1    0   15   48 o   21.387   2.8204   58.000   13.555   58.000   13.555   58.000   13.555   21.387   2.8204   21.387   2.8204 0.000000 0.000000 
1 1 1    0   15   49 o   20.591   2.8029   54.100   12.915   54.100   12.915   54.100   12.915   20.591   2.8029   20.591   2.8029 0.000000 0.000000 
1 1 1    0   15   50 o   18.486   2.7742   44.100   11.306   44.100   11.306   44.100   11.306   18.486   2.7742   18.486   2.7742 -0.000000 0.000000 
1 1 1    0   15   51 o   5.3368   2.6506   5.1000   4.0391   5.1000   4.0391   5.1000   4.0391   5.3368   2.6506   5.3368   2.6506 0.000000 0.000000 
1 1 1    0   15   52 o   7.3263   3.0361   9.2000   5.2240   9.2000   5.2240   9.2000   5.2240   7.3263   3.0361   7.3263   3.0361 -0.000000 0.000000 
1 1 1    0   15   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   15   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16    1 o  185.324   14.358  4147.90  619.641  4147.90  619.641  4147.90  619.641  185.324   14.358  185.324   14.358 -0.000000 0.000000 
1 1 1    0   16    2 o  112.594   8.8724  1527.40  232.527  1527.40  232.527  1527.40  232.527  112.594   8.8724  112.594   8.8724 -0.000000 0.000000 
1 1 1    0   16    3 o   47.607   4.2324  274.000   46.714  274.000   46.714  274.000   46.714   47.607   4.2324   47.607   4.2324 -0.000000 0.000000 
1 1 1    0   16    4 o   83.736   6.7413  844.800  131.309  844.800  131.309  844.800  131.309   83.736   6.7413   83.736   6.7413 -0.000000 0.000000 
1 1 1    0   16    5 o  283.746   21.980  9796.50  1452.40  9796.50  1452.40  9796.50  1452.40  283.746   21.980  283.746   21.980 -0.000000 0.000000 
1 1 1    0   16    6 o  102.489   8.1170  1265.60  193.608  1265.60  193.608  1265.60  193.608  102.489   8.1170  102.489   8.1170 -0.000000 0.000000 
1 1 1    0   16    7 o   62.148   5.2036  465.900   75.133  465.900   75.133  465.900   75.133   62.148   5.2036   62.148   5.2036 0.000000 0.000000 
1 1 1    0   16    8 o  210.748   16.321  5381.80  801.021  5381.80  801.021  5381.80  801.021  210.748   16.321  210.748   16.321 0.000000 0.000000 
1 1 1    0   16    9 o  371.328   29.207 17058.70  2524.56 17058.70  2524.56 17058.70  2524.56  371.328   29.207  371.328   29.207 0.000000 0.000000 
1 1 1    0   16   10 o  103.236   8.1885  1285.10  196.729  1285.10  196.729  1285.10  196.729  103.236   8.1885  103.236   8.1885 0.000000 0.000000 
1 1 1    0   16   11 o   72.170   5.9067  628.100   99.109  628.100   99.109  628.100   99.109   72.170   5.9067   72.170   5.9067 -0.000000 0.000000 
1 1 1    0   16   12 o   45.553   4.0684  251.000   42.960  251.000   42.960  251.000   42.960   45.553   4.0684   45.553   4.0684 -0.000000 0.000000 
1 1 1    0   16   13 o  248.031   19.309  7530.40  1115.16  7530.40  1115.16  7530.40  1115.16  248.031   19.309  248.031   19.309 -0.000000 0.000000 
1 1 1    0   16   14 o  384.578   30.868 18717.30  2761.68 18717.30  2761.68 18717.30  2761.68  384.578   30.868  384.578   30.868 -0.000000 0.000000 
1 1 1    0   16   15 o   68.308   5.6068  563.000   89.035  563.000   89.035  563.000   89.035   68.308   5.6068   68.308   5.6068 -0.000000 0.000000 
1 1 1    0   16   16 o  350.005   28.129 15474.10  2290.27 15474.10  2290.27 15474.10  2290.27  350.005   28.129  350.005   28.129 -0.000000 0.000000 
1 1 1    0   16   17 o  182.730   14.233  4068.50  605.555  4068.50  605.555  4068.50  605.555  182.730   14.233  182.730   14.233 0.000000 0.000000 
1 1 1    0   16   18 o  263.968   20.878  8644.00  1282.66  8644.00  1282.66  8644.00  1282.66  263.968   20.878  263.968   20.878 -0.000000 0.000000 
1 1 1    0   16   19 o  135.770   10.613  2235.10  335.483  2235.10  335.483  2235.10  335.483  135.770   10.613  135.770   10.613 -0.000000 0.000000 
1 1 1    0   16   20 o   86.070   6.8898  894.700  137.965  894.700  137.965  894.700  137.965   86.070   6.8898   86.070   6.8898 0.000000 0.000000 
1 1 1    0   16   21 o  259.126   20.506  8355.90  1236.68  8355.90  1236.68  8355.90  1236.68  259.126   20.506  259.126   20.506 -0.000000 0.000000 
1 1 1    0   16   22 o  201.631   15.802  4993.90  741.758  4993.90  741.758  4993.90  741.758  201.631   15.802  201.631   15.802 -0.000000 0.000000 
1 1 1    0   16   23 o   78.146   6.3199  737.800  114.867  737.800  114.867  737.800  114.867   78.146   6.3199   78.146   6.3199 -0.000000 0.000000 
1 1 1    0   16   24 o  153.189   11.999  2862.10  427.934  2862.10  427.934  2862.10  427.934  153.189   11.999  153.189   11.999 -0.000000 0.000000 
1 1 1    0   16   25 o  164.888   12.944  3331.30  496.831  3331.30  496.831  3331.30  496.831  164.888   12.944  164.888   12.944 -0.000000 0.000000 
1 1 1    0   16   26 o  291.267   24.030 10981.10  1626.86 10981.10  1626.86 10981.10  1626.86  291.267   24.030  291.267   24.030 -0.000000 0.000000 
1 1 1    0   16   27 f   7.5490   2.7768   9.0000   4.5782   9.0000   4.5782   9.0000   4.5782   7.5490   2.7768   7.5490   2.7768 0.000000 0.000000 
1 1 1    0   16   28 o   19.418   2.7072   47.100   11.723   47.100   11.723   47.100   11.723   19.418   2.7072   19.418   2.7072 0.000000 0.000000 
1 1 1    0   16   29 o   55.432   4.7265  372.500   60.833  372.500   60.833  372.500   60.833   55.432   4.7265   55.432   4.7265 -0.000000 0.000000 
1 1 1    0   16   30 o   58.211   4.9208  411.300   66.528  411.300   66.528  411.300   66.528   58.211   4.9208   58.211   4.9208 0.000000 0.000000 
1 1 1    0   16   31 o  186.781   15.532  4539.50  674.140  4539.50  674.140  4539.50  674.140  186.781   15.532  186.781   15.532 0.000000 0.000000 
1 1 1    0   16   32 o   22.562   2.8002   63.000   14.300   63.000   14.300   63.000   14.300   22.562   2.8002   22.562   2.8002 0.000000 0.000000 
1 1 1    0   16   33 o   32.337   3.2641  127.800   24.343  127.800   24.343  127.800   24.343   32.337   3.2641   32.337   3.2641 0.000000 0.000000 
1 1 1    0   16   34 o   30.472   3.1681  113.700   22.231  113.700   22.231  113.700   22.231   30.472   3.1681   30.472   3.1681 -0.000000 0.000000 
1 1 1    0   16   35 o   89.022   7.2911  983.000  150.904  983.000  150.904  983.000  150.904   89.022   7.2911   89.022   7.2911 0.000000 0.000000 
1 1 1    0   16   36 o  105.274   8.6571  1397.50  211.857  1397.50  211.857  1397.50  211.857  105.274   8.6571  105.274   8.6571 -0.000000 0.000000 
1 1 1    0   16   37 o   53.254   4.6219  347.600   57.114  347.600   57.114  347.600   57.114   53.254   4.6219   53.254   4.6219 -0.000000 0.000000 
1 1 1    0   16   38 f   42.287   3.8911  219.200   38.098  219.200   38.098  219.200   38.098   42.287   3.8911   42.287   3.8911 0.000000 0.000000 
1 1 1    0   16   39 o  108.212   9.2557  1537.80  232.527  1537.80  232.527  1537.80  232.527  108.212   9.2557  108.212   9.2557 0.000000 0.000000 
1 1 1    0   16   40 o   68.831   5.8772  596.400   93.923  596.400   93.923  596.400   93.923   68.831   5.8772   68.831   5.8772 0.000000 0.000000 
1 1 1    0   16   41 o   36.353   3.5446  163.300   29.763  163.300   29.763  163.300   29.763   36.353   3.5446   36.353   3.5446 -0.000000 0.000000 
1 1 1    0   16   42 o   97.446   8.6676  1288.10  195.817  1288.10  195.817  1288.10  195.817   97.446   8.6676   97.446   8.6676 0.000000 0.000000 
1 1 1    0   16   43 o   3.1229   1.8689   1.2000   2.4553   1.2000   2.4553   1.2000   2.4553   3.1229   1.8689   3.1229   1.8689 0.000000 0.000000 
1 1 1    0   16   44 o   1.7859   1.1876  -0.4000   1.3417  -0.4000   1.3417  -0.4000   1.3417   1.7859   1.1876   1.7859   1.1876 -0.000000 0.000000 
1 1 1    0   16   45 o   13.894   2.7566   25.600   8.0353   25.600   8.0353   25.600   8.0353   13.894   2.7566   13.894   2.7566 -0.000000 0.000000 
1 1 1    0   16   46 o   24.006   2.9002   72.300   15.803   72.300   15.803   72.300   15.803   24.006   2.9002   24.006   2.9002 0.000000 0.000000 
1 1 1    0   16   47 o   7.5955   2.8351   9.3000   4.7370   9.3000   4.7370   9.3000   4.7370   7.5955   2.8351   7.5955   2.8351 0.000000 0.000000 
1 1 1    0   16   48 o   6.4507   2.7426   7.1000   4.2437   7.1000   4.2437   7.1000   4.2437   6.4507   2.7426   6.4507   2.7426 0.000000 0.000000 
1 1 1    0   16   49 o   18.184   2.7788   42.700   11.105   42.700   11.105   42.700   11.105   18.184   2.7788   18.184   2.7788 0.000000 0.000000 
1 1 1    0   16   50 o   12.484   2.8972   21.600   7.4290   21.600   7.4290   21.600   7.4290   12.484   2.8972   12.484   2.8972 -0.000000 0.000000 
1 1 1    0   16   51 o   19.130   2.8802   47.500   12.140   47.500   12.140   47.500   12.140   19.130   2.8802   19.130   2.8802 -0.000000 0.000000 
1 1 1    0   16   52 f   19.638   2.8686   50.200   12.473   50.200   12.473   50.200   12.473   19.638   2.8686   19.638   2.8686 -0.000000 0.000000 
1 1 1    0   16   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   16   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17    1 o  120.378   9.4317  1746.40  264.316  1746.40  264.316  1746.40  264.316  120.378   9.4317  120.378   9.4317 0.000000 0.000000 
1 1 1    0   17    2 o   87.970   7.0578  932.500  144.440  932.500  144.440  932.500  144.440   87.970   7.0578   87.970   7.0578 -0.000000 0.000000 
1 1 1    0   17    3 o  204.773   15.852  5075.00  755.958  5075.00  755.958  5075.00  755.958  204.773   15.852  204.773   15.852 -0.000000 0.000000 
1 1 1    0   17    4 o   67.292   5.5852  546.100   87.342  546.100   87.342  546.100   87.342   67.292   5.5852   67.292   5.5852 0.000000 0.000000 
1 1 1    0   17    5 o  225.166   17.441  6149.90  914.528  6149.90  914.528  6149.90  914.528  225.166   17.441  225.166   17.441 -0.000000 0.000000 
1 1 1    0   17    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17    7 o  290.024   22.586 10289.50  1525.21 10289.50  1525.21 10289.50  1525.21  290.024   22.586  290.024   22.586 0.000000 0.000000 
1 1 1    0   17    8 o  392.935   31.127 19235.10  2846.48 19235.10  2846.48 19235.10  2846.48  392.935   31.127  392.935   31.127 0.000000 0.000000 
1 1 1    0   17    9 o  207.420   16.088  5224.00  777.101  5224.00  777.101  5224.00  777.101  207.420   16.088  207.420   16.088 0.000000 0.000000 
1 1 1    0   17   10 o   1.1827   0.8577  -2.7000   1.3056  -2.7000   1.3056  -2.7000   1.3056   1.1827   0.8577   1.1827   0.8577 0.000000 0.000000 
1 1 1    0   17   11 o  170.867   13.294  3538.40  528.919  3538.40  528.919  3538.40  528.919  170.867   13.294  170.867   13.294 0.000000 0.000000 
1 1 1    0   17   12 o  450.223   36.869 26106.00  3859.16 26106.00  3859.16 26106.00  3859.16  450.223   36.869  450.223   36.869 0.000000 0.000000 
1 1 1    0   17   13 o  115.687   9.1078  1616.80  245.258  1616.80  245.258  1616.80  245.258  115.687   9.1078  115.687   9.1078 0.000000 0.000000 
1 1 1    0   17   14 o  149.949   11.680  2724.80  407.800  2724.80  407.800  2724.80  407.800  149.949   11.680  149.949   11.680 -0.000000 0.000000 
1 1 1    0   17   15 o  164.908   12.880  3303.50  494.507  3303.50  494.507  3303.50  494.507  164.908   12.880  164.908   12.880 0.000000 0.000000 
1 1 1    0   17   16 o   26.909   3.0058   88.700   18.489   88.700   18.489   88.700   18.489   26.909   3.0058   26.909   3.0058 0.000000 0.000000 
1 1 1    0   17   17 o  186.732   14.560  4255.50  633.023  4255.50  633.023  4255.50  633.023  186.732   14.560  186.732   14.560 0.000000 0.000000 
1 1 1    0   17   18 o   15.147   2.6721   29.500   8.6696   29.500   8.6696   29.500   8.6696   15.147   2.6721   15.147   2.6721 0.000000 0.000000 
1 1 1    0   17   19 o   97.571   7.7421  1150.50  175.795  1150.50  175.795  1150.50  175.795   97.571   7.7421   97.571   7.7421 0.000000 0.000000 
1 1 1    0   17   20 o   91.092   7.2707  1002.60  154.101  1002.60  154.101  1002.60  154.101   91.092   7.2707   91.092   7.2707 -0.000000 0.000000 
1 1 1    0   17   21 o   62.026   5.1729  464.700   74.553  464.700   74.553  464.700   74.553   62.026   5.1729   62.026   5.1729 0.000000 0.000000 
1 1 1    0   17   22 o   93.915   7.4839  1066.50  163.544  1066.50  163.544  1066.50  163.544   93.915   7.4839   93.915   7.4839 -0.000000 0.000000 
1 1 1    0   17   23 f   38.386   3.6206  178.800   32.148  178.800   32.148  178.800   32.148   38.386   3.6206   38.386   3.6206 0.000000 0.000000 
1 1 1    0   17   24 o  109.747   8.6653  1460.40  221.342  1460.40  221.342  1460.40  221.342  109.747   8.6653  109.747   8.6653 -0.000000 0.000000 
1 1 1    0   17   25 o   72.040   5.8867  627.600   98.602  627.600   98.602  627.600   98.602   72.040   5.8867   72.040   5.8867 -0.000000 0.000000 
1 1 1    0   17   26 o   17.423   2.7757   38.500   10.551   38.500   10.551   38.500   10.551   17.423   2.7757   17.423   2.7757 0.000000 0.000000 
1 1 1    0   17   27 o   67.583   5.5753  553.200   87.582  553.200   87.582  553.200   87.582   67.583   5.5753   67.583   5.5753 -0.000000 0.000000 
1 1 1    0   17   28 o  168.653   13.499  3553.70  529.681  3553.70  529.681  3553.70  529.681  168.653   13.499  168.653   13.499 -0.000000 0.000000 
1 1 1    0   17   29 o   69.359   5.7117  584.300   92.088  584.300   92.088  584.300   92.088   69.359   5.7117   69.359   5.7117 -0.000000 0.000000 
1 1 1    0   17   30 o  167.083   13.616  3552.70  529.020  3552.70  529.020  3552.70  529.020  167.083   13.616  167.083   13.616 0.000000 0.000000 
1 1 1    0   17   31 o   59.416   5.0170  429.500   69.236  429.500   69.236  429.500   69.236   59.416   5.0170   59.416   5.0170 0.000000 0.000000 
1 1 1    0   17   32 o   59.315   5.0203  428.800   69.157  428.800   69.157  428.800   69.157   59.315   5.0203   59.315   5.0203 0.000000 0.000000 
1 1 1    0   17   33 o   52.588   4.5531  337.100   55.565  337.100   55.565  337.100   55.565   52.588   4.5531   52.588   4.5531 0.000000 0.000000 
1 1 1    0   17   34 o   23.610   2.8424   68.900   15.238   68.900   15.238   68.900   15.238   23.610   2.8424   23.610   2.8424 -0.000000 0.000000 
1 1 1    0   17   35 o   36.273   3.5053  160.800   29.380  160.800   29.380  160.800   29.380   36.273   3.5053   36.273   3.5053 -0.000000 0.000000 
1 1 1    0   17   36 o   76.856   6.3704  731.000  113.785  731.000  113.785  731.000  113.785   76.856   6.3704   76.856   6.3704 -0.000000 0.000000 
1 1 1    0   17   37 o   55.214   4.7706  374.300   61.131  374.300   61.131  374.300   61.131   55.214   4.7706   55.214   4.7706 0.000000 0.000000 
1 1 1    0   17   38 o   84.349   7.0608  897.400  138.369  897.400  138.369  897.400  138.369   84.349   7.0608   84.349   7.0608 -0.000000 0.000000 
1 1 1    0   17   39 o   14.846   2.7292   28.700   8.6142   28.700   8.6142   28.700   8.6142   14.846   2.7292   14.846   2.7292 -0.000000 0.000000 
1 1 1    0   17   40 o   29.987   3.1620  111.100   21.820  111.100   21.820  111.100   21.820   29.987   3.1620   29.987   3.1620 -0.000000 0.000000 
1 1 1    0   17   41 f   69.812   6.0187  620.600   97.522  620.600   97.522  620.600   97.522   69.812   6.0187   69.812   6.0187 0.000000 0.000000 
1 1 1    0   17   42 o   9.0375   2.8868   12.300   5.4291   12.300   5.4291   12.300   5.4291   9.0375   2.8868   9.0375   2.8868 -0.000000 0.000000 
1 1 1    0   17   43 o   43.195   4.0082  232.400   40.074  232.400   40.074  232.400   40.074   43.195   4.0082   43.195   4.0082 0.000000 0.000000 
1 1 1    0   17   44 o   4.4716   2.2654   3.5000   2.9805   3.5000   2.9805   3.5000   2.9805   4.4716   2.2654   4.4716   2.2654 0.000000 0.000000 
1 1 1    0   17   45 o   38.413   3.7035  184.200   32.876  184.200   32.876  184.200   32.876   38.413   3.7035   38.413   3.7035 -0.000000 0.000000 
1 1 1    0   17   46 o   16.633   2.7132   35.700   9.8048   35.700   9.8048   35.700   9.8048   16.633   2.7132   16.633   2.7132 -0.000000 0.000000 
1 1 1    0   17   47 o  ?   ?   -2.1000   0.5456  -2.1000   0.5456  -2.1000   0.5456  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   17   48 o   11.314   2.8847   18.100   6.6626   18.100   6.6626   18.100   6.6626   11.314   2.8847   11.314   2.8847 -0.000000 0.000000 
1 1 1    0   17   49 o   21.633   2.8544   59.700   13.875   59.700   13.875   59.700   13.875   21.633   2.8544   21.633   2.8544 0.000000 0.000000 
1 1 1    0   17   50 o   6.1017   2.7208   6.5000   4.1597   6.5000   4.1597   6.5000   4.1597   6.1017   2.7208   6.1017   2.7208 0.000000 0.000000 
1 1 1    0   17   51 o   16.478   2.8347   35.800   10.051   35.800   10.051   35.800   10.051   16.478   2.8347   16.478   2.8347 -0.000000 0.000000 
1 1 1    0   17   52 o   3.4960   2.0913   1.6000   3.0715   1.6000   3.0715   1.6000   3.0715   3.4960   2.0913   3.4960   2.0913 0.000000 0.000000 
1 1 1    0   17   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18    1 o  166.457   12.935  3348.80  501.352  3348.80  501.352  3348.80  501.352  166.457   12.935  166.457   12.935 -0.000000 0.000000 
1 1 1    0   18    2 o   34.992   3.4506  148.800   27.876  148.800   27.876  148.800   27.876   34.992   3.4506   34.992   3.4506 0.000000 0.000000 
1 1 1    0   18    3 o  485.980   39.111 29917.50  4421.44 29917.50  4421.44 29917.50  4421.44  485.980   39.111  485.980   39.111 0.000000 0.000000 
1 1 1    0   18    4 o  ?   ?  -11.9000   1.2491 -11.9000   1.2491 -11.9000   1.2491  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   18    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18    6 o  326.617   25.614 13152.20  1947.53 13152.20  1947.53 13152.20  1947.53  326.617   25.614  326.617   25.614 -0.000000 0.000000 
1 1 1    0   18    7 o  136.931   10.698  2264.60  341.066  2264.60  341.066  2264.60  341.066  136.931   10.698  136.931   10.698 -0.000000 0.000000 
1 1 1    0   18    8 o  241.133   18.788  7096.60  1054.86  7096.60  1054.86  7096.60  1054.86  241.133   18.788  241.133   18.788 -0.000000 0.000000 
1 1 1    0   18    9 o  180.000   14.003  3930.10  586.892  3930.10  586.892  3930.10  586.892  180.000   14.003  180.000   14.003 0.000000 0.000000 
1 1 1    0   18   10 o  290.851   22.857 10438.90  1547.54 10438.90  1547.54 10438.90  1547.54  290.851   22.857  290.851   22.857 -0.000000 0.000000 
1 1 1    0   18   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   13 o   83.853   6.7612  848.600  131.875  848.600  131.875  848.600  131.875   83.853   6.7612   83.853   6.7612 -0.000000 0.000000 
1 1 1    0   18   14 o   43.203   3.9606  226.100   39.624  226.100   39.624  226.100   39.624   43.203   3.9606   43.203   3.9606 -0.000000 0.000000 
1 1 1    0   18   15 o   62.094   5.1773  465.500   74.698  465.500   74.698  465.500   74.698   62.094   5.1773   62.094   5.1773 0.000000 0.000000 
1 1 1    0   18   16 o  183.496   14.303  4107.10  611.089  4107.10  611.089  4107.10  611.089  183.496   14.303  183.496   14.303 -0.000000 0.000000 
1 1 1    0   18   17 o  146.970   11.477  2622.40  392.709  2622.40  392.709  2622.40  392.709  146.970   11.477  146.970   11.477 -0.000000 0.000000 
1 1 1    0   18   18 o  229.635   18.028  6501.30  963.725  6501.30  963.725  6501.30  963.725  229.635   18.028  229.635   18.028 -0.000000 0.000000 
1 1 1    0   18   19 o   44.479   3.9990  239.500   41.221  239.500   41.221  239.500   41.221   44.479   3.9990   44.479   3.9990 0.000000 0.000000 
1 1 1    0   18   20 f  192.356   15.047  4533.50  673.839  4533.50  673.839  4533.50  673.839  192.356   15.047  192.356   15.047 -0.000000 0.000000 
1 1 1    0   18   21 o   21.471   2.8082   57.200   13.564   57.200   13.564   57.200   13.564   21.471   2.8082   21.471   2.8082 0.000000 0.000000 
1 1 1    0   18   22 o   90.879   7.2536  998.700  153.380  998.700  153.380  998.700  153.380   90.879   7.2536   90.879   7.2536 -0.000000 0.000000 
1 1 1    0   18   23 o   83.342   6.7044  839.900  129.978  839.900  129.978  839.900  129.978   83.342   6.7044   83.342   6.7044 -0.000000 0.000000 
1 1 1    0   18   24 f  106.238   8.4128  1369.00  208.005  1369.00  208.005  1369.00  208.005  106.238   8.4128  106.238   8.4128 0.000000 0.000000 
1 1 1    0   18   25 o  145.542   11.467  2594.00  388.479  2594.00  388.479  2594.00  388.479  145.542   11.467  145.542   11.467 0.000000 0.000000 
1 1 1    0   18   26 o  118.923   9.4111  1726.10  260.475  1726.10  260.475  1726.10  260.475  118.923   9.4111  118.923   9.4111 0.000000 0.000000 
1 1 1    0   18   27 o  104.912   8.3550  1342.40  203.964  1342.40  203.964  1342.40  203.964  104.912   8.3550  104.912   8.3550 -0.000000 0.000000 
1 1 1    0   18   28 o   94.591   7.5964  1091.60  167.159  1091.60  167.159  1091.60  167.159   94.591   7.5964   94.591   7.5964 0.000000 0.000000 
1 1 1    0   18   29 o   76.138   6.2178  705.800  110.074  705.800  110.074  705.800  110.074   76.138   6.2178   76.138   6.2178 -0.000000 0.000000 
1 1 1    0   18   30 o   40.995   3.7757  204.400   35.837  204.400   35.837  204.400   35.837   40.995   3.7757   40.995   3.7757 0.000000 0.000000 
1 1 1    0   18   31 o   49.822   4.3602  302.000   50.393  302.000   50.393  302.000   50.393   49.822   4.3602   49.822   4.3602 0.000000 0.000000 
1 1 1    0   18   32 o   84.878   6.9240  886.500  136.651  886.500  136.651  886.500  136.651   84.878   6.9240   84.878   6.9240 -0.000000 0.000000 
1 1 1    0   18   33 o   72.344   5.9790  641.900  100.534  641.900  100.534  641.900  100.534   72.344   5.9790   72.344   5.9790 -0.000000 0.000000 
1 1 1    0   18   34 o   36.087   3.4925  159.100   29.121  159.100   29.121  159.100   29.121   36.087   3.4925   36.087   3.4925 0.000000 0.000000 
1 1 1    0   18   35 o   30.496   3.1662  114.000   22.238  114.000   22.238  114.000   22.238   30.496   3.1662   30.496   3.1662 -0.000000 0.000000 
1 1 1    0   18   36 o   16.255   2.6941   33.800   9.4869   33.800   9.4869   33.800   9.4869   16.255   2.6941   16.255   2.6941 -0.000000 0.000000 
1 1 1    0   18   37 o   22.736   2.8239   64.200   14.531   64.200   14.531   64.200   14.531   22.736   2.8239   22.736   2.8239 -0.000000 0.000000 
1 1 1    0   18   38 o   43.177   3.9602  229.200   39.596  229.200   39.596  229.200   39.596   43.177   3.9602   43.177   3.9602 -0.000000 0.000000 
1 1 1    0   18   39 o   50.397   4.4765  314.500   52.306  314.500   52.306  314.500   52.306   50.397   4.4765   50.397   4.4765 -0.000000 0.000000 
1 1 1    0   18   40 o   2.8403   1.7375   0.8000   2.2218   0.8000   2.2218   0.8000   2.2218   2.8403   1.7375   2.8403   1.7375 -0.000000 0.000000 
1 1 1    0   18   41 o   7.5595   2.7853   9.1000   4.6023   9.1000   4.6023   9.1000   4.6023   7.5595   2.7853   7.5595   2.7853 -0.000000 0.000000 
1 1 1    0   18   42 o   32.321   3.3012  129.500   24.593  129.500   24.593  129.500   24.593   32.321   3.3012   32.321   3.3012 -0.000000 0.000000 
1 1 1    0   18   43 o   25.021   2.9436   78.100   16.761   78.100   16.761   78.100   16.761   25.021   2.9436   25.021   2.9436 0.000000 0.000000 
1 1 1    0   18   44 o   23.465   2.8681   68.900   15.257   68.900   15.257   68.900   15.257   23.465   2.8681   23.465   2.8681 -0.000000 0.000000 
1 1 1    0   18   45 o   22.884   2.8624   65.800   14.813   65.800   14.813   65.800   14.813   22.884   2.8624   22.884   2.8624 -0.000000 0.000000 
1 1 1    0   18   46 o   7.6484   2.8378   9.4000   4.7604   9.4000   4.7604   9.4000   4.7604   7.6484   2.8378   7.6484   2.8378 -0.000000 0.000000 
1 1 1    0   18   47 o   34.133   3.4621  146.800   27.246  146.800   27.246  146.800   27.246   34.133   3.4621   34.133   3.4621 -0.000000 0.000000 
1 1 1    0   18   48 o   8.8708   2.9157   12.100   5.4193   12.100   5.4193   12.100   5.4193   8.8708   2.9157   8.8708   2.9157 -0.000000 0.000000 
1 1 1    0   18   49 o   11.806   2.8643   19.500   6.9201   19.500   6.9201   19.500   6.9201   11.806   2.8643   11.806   2.8643 0.000000 0.000000 
1 1 1    0   18   50 o   6.5793   2.8503   7.5000   4.5699   7.5000   4.5699   7.5000   4.5699   6.5793   2.8503   6.5793   2.8503 0.000000 0.000000 
1 1 1    0   18   51 o   5.3230   2.6572   5.1000   4.0678   5.1000   4.0678   5.1000   4.0678   5.3230   2.6572   5.3230   2.6572 0.000000 0.000000 
1 1 1    0   18   52 o   4.6896   2.5208   3.9000   3.8539   3.9000   3.8539   3.9000   3.8539   4.6896   2.5208   4.6896   2.5208 0.000000 0.000000 
1 1 1    0   18   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   18   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19    1 o  381.626   30.238 18151.00  2685.54 18151.00  2685.54 18151.00  2685.54  381.626   30.238  381.626   30.238 -0.000000 0.000000 
1 1 1    0   19    2 o  148.732   11.580  2673.30  401.028  2673.30  401.028  2673.30  401.028  148.732   11.580  148.732   11.580 -0.000000 0.000000 
1 1 1    0   19    3 o  238.145   18.544  6913.00  1028.26  6913.00  1028.26  6913.00  1028.26  238.145   18.544  238.145   18.544 0.000000 0.000000 
1 1 1    0   19    4 o   54.664   4.7276  361.000   59.975  361.000   59.975  361.000   59.975   54.664   4.7276   54.664   4.7276 -0.000000 0.000000 
1 1 1    0   19    5 o   76.194   6.2135  700.200  110.084  700.200  110.084  700.200  110.084   76.194   6.2135   76.194   6.2135 0.000000 0.000000 
1 1 1    0   19    6 o  252.936   19.729  7828.10  1161.88  7828.10  1161.88  7828.10  1161.88  252.936   19.729  252.936   19.729 0.000000 0.000000 
1 1 1    0   19    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19    9 o  143.068   11.188  2477.40  372.657  2477.40  372.657  2477.40  372.657  143.068   11.188  143.068   11.188 0.000000 0.000000 
1 1 1    0   19   10 o  113.705   8.9647  1561.90  237.258  1561.90  237.258  1561.90  237.258  113.705   8.9647  113.705   8.9647 -0.000000 0.000000 
1 1 1    0   19   11 o   13.665   2.9493   24.900   8.3489   24.900   8.3489   24.900   8.3489   13.665   2.9493   13.665   2.9493 -0.000000 0.000000 
1 1 1    0   19   12 o  101.709   8.0640  1249.30  190.875  1249.30  190.875  1249.30  190.875  101.709   8.0640  101.709   8.0640 0.000000 0.000000 
1 1 1    0   19   13 o  233.981   18.354  6728.80  999.729  6728.80  999.729  6728.80  999.729  233.981   18.354  233.981   18.354 0.000000 0.000000 
1 1 1    0   19   14 o  343.858   27.761 14993.00  2220.30 14993.00  2220.30 14993.00  2220.30  343.858   27.761  343.858   27.761 -0.000000 0.000000 
1 1 1    0   19   15 o   90.558   7.2659  990.600  153.072  990.600  153.072  990.600  153.072   90.558   7.2659   90.558   7.2659 0.000000 0.000000 
1 1 1    0   19   16 o  118.426   9.2996  1697.30  256.370  1697.30  256.370  1697.30  256.370  118.426   9.2996  118.426   9.2996 -0.000000 0.000000 
1 1 1    0   19   17 o   77.247   6.2589  720.500  112.443  720.500  112.443  720.500  112.443   77.247   6.2589   77.247   6.2589 -0.000000 0.000000 
1 1 1    0   19   18 o  193.525   15.124  4585.40  681.434  4585.40  681.434  4585.40  681.434  193.525   15.124  193.525   15.124 -0.000000 0.000000 
1 1 1    0   19   19 o   56.704   4.8065  388.500   63.294  388.500   63.294  388.500   63.294   56.704   4.8065   56.704   4.8065 -0.000000 0.000000 
1 1 1    0   19   20 o  216.560   17.034  5786.30  858.665  5786.30  858.665  5786.30  858.665  216.560   17.034  216.560   17.034 -0.000000 0.000000 
1 1 1    0   19   21 o  195.899   15.385  4719.10  701.591  4719.10  701.591  4719.10  701.591  195.899   15.385  195.899   15.385 -0.000000 0.000000 
1 1 1    0   19   22 o   19.960   2.7592   49.700   12.296   49.700   12.296   49.700   12.296   19.960   2.7592   19.960   2.7592 -0.000000 0.000000 
1 1 1    0   19   23 o   40.775   3.7645  201.600   35.536  201.600   35.536  201.600   35.536   40.775   3.7645   40.775   3.7645 0.000000 0.000000 
1 1 1    0   19   24 o  101.586   8.0708  1252.30  190.792  1252.30  190.792  1252.30  190.792  101.586   8.0708  101.586   8.0708 -0.000000 0.000000 
1 1 1    0   19   25 o   66.132   5.4687  529.400   84.056  529.400   84.056  529.400   84.056   66.132   5.4687   66.132   5.4687 -0.000000 0.000000 
1 1 1    0   19   26 o   1.7901   1.2080  -0.7000   1.4836  -0.7000   1.4836  -0.7000   1.4836   1.7901   1.2080   1.7901   1.2080 0.000000 0.000000 
1 1 1    0   19   27 o   3.7026   2.1367   2.0000   3.0151   2.0000   3.0151   2.0000   3.0151   3.7026   2.1367   3.7026   2.1367 -0.000000 0.000000 
1 1 1    0   19   28 o   51.716   4.4827  324.600   53.796  324.600   53.796  324.600   53.796   51.716   4.4827   51.716   4.4827 0.000000 0.000000 
1 1 1    0   19   29 o   9.0643   2.8443   12.200   5.3446   12.200   5.3446   12.200   5.3446   9.0643   2.8443   9.0643   2.8443 -0.000000 0.000000 
1 1 1    0   19   30 o   66.917   5.5726  545.900   86.650  545.900   86.650  545.900   86.650   66.917   5.5726   66.917   5.5726 0.000000 0.000000 
1 1 1    0   19   31 o  112.755   9.1439  1586.80  239.778  1586.80  239.778  1586.80  239.778  112.755   9.1439  112.755   9.1439 -0.000000 0.000000 
1 1 1    0   19   32 o   23.522   2.8488   68.400   15.206   68.400   15.206   68.400   15.206   23.522   2.8488   23.522   2.8488 0.000000 0.000000 
1 1 1    0   19   33 o   31.319   3.2223  120.100   23.253  120.100   23.253  120.100   23.253   31.319   3.2223   31.319   3.2223 -0.000000 0.000000 
1 1 1    0   19   34 o   62.761   5.2927  482.800   77.155  482.800   77.155  482.800   77.155   62.761   5.2927   62.761   5.2927 -0.000000 0.000000 
1 1 1    0   19   35 o   18.155   2.7045   41.600   10.837   41.600   10.837   41.600   10.837   18.155   2.7045   18.155   2.7045 0.000000 0.000000 
1 1 1    0   19   36 o   20.130   2.7419   50.700   12.349   50.700   12.349   50.700   12.349   20.130   2.7419   20.130   2.7419 0.000000 0.000000 
1 1 1    0   19   37 o   40.741   3.7942  203.700   35.774  203.700   35.774  203.700   35.774   40.741   3.7942   40.741   3.7942 0.000000 0.000000 
1 1 1    0   19   38 o   35.460   3.4688  154.700   28.407  154.700   28.407  154.700   28.407   35.460   3.4688   35.460   3.4688 -0.000000 0.000000 
1 1 1    0   19   39 o   40.230   3.7845  199.800   35.221  199.800   35.221  199.800   35.221   40.230   3.7845   40.230   3.7845 0.000000 0.000000 
1 1 1    0   19   40 o   0.6835   0.5031  -1.7000   0.5743  -1.7000   0.5743  -1.7000   0.5743   0.6835   0.5031   0.6835   0.5031 -0.000000 0.000000 
1 1 1    0   19   41 o   4.4946   2.3466   3.5000   3.2603   3.5000   3.2603   3.5000   3.2603   4.4946   2.3466   4.4946   2.3466 0.000000 0.000000 
1 1 1    0   19   42 o   1.9271   1.2611  -0.2000   1.4212  -0.2000   1.4212  -0.2000   1.4212   1.9271   1.2611   1.9271   1.2611 -0.000000 0.000000 
1 1 1    0   19   43 o   0.7693   0.5598  -1.3000   0.5835  -1.3000   0.5835  -1.3000   0.5835   0.7693   0.5598   0.7693   0.5598 0.000000 0.000000 
1 1 1    0   19   44 o   17.637   2.7344   39.800   10.573   39.800   10.573   39.800   10.573   17.637   2.7344   17.637   2.7344 0.000000 0.000000 
1 1 1    0   19   45 o   8.3606   2.8298   10.800   5.0007   10.800   5.0007   10.800   5.0007   8.3606   2.8298   8.3606   2.8298 0.000000 0.000000 
1 1 1    0   19   46 o   2.0495   1.3550  -0.4000   1.7063  -0.4000   1.7063  -0.4000   1.7063   2.0495   1.3550   2.0495   1.3550 -0.000000 0.000000 
1 1 1    0   19   47 o   3.6724   2.0940   2.1000   2.8451   2.1000   2.8451   2.1000   2.8451   3.6724   2.0940   3.6724   2.0940 -0.000000 0.000000 
1 1 1    0   19   48 o   1.5596   1.0788  -1.1000   1.3544  -1.1000   1.3544  -1.1000   1.3544   1.5596   1.0788   1.5596   1.0788 -0.000000 0.000000 
1 1 1    0   19   49 f   2.5010   1.5819   0.3000   2.0034   0.3000   2.0034   0.3000   2.0034   2.5010   1.5819   2.5010   1.5819 0.000000 0.000000 
1 1 1    0   19   50 o   5.1272   2.6098   4.7000   3.9666   4.7000   3.9666   4.7000   3.9666   5.1272   2.6098   5.1272   2.6098 0.000000 0.000000 
1 1 1    0   19   51 o   35.640   3.6848  165.700   30.252  165.700   30.252  165.700   30.252   35.640   3.6848   35.640   3.6848 0.000000 0.000000 
1 1 1    0   19   52 o   5.9130   2.8403   6.4000   4.5808   6.4000   4.5808   6.4000   4.5808   5.9130   2.8403   5.9130   2.8403 -0.000000 0.000000 
1 1 1    0   19   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   19   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20    2 f  263.651   20.618  8527.10  1265.55  8527.10  1265.55  8527.10  1265.55  263.651   20.618  263.651   20.618 0.000000 0.000000 
1 1 1    0   20    3 f  276.319   21.646  9389.80  1392.41  9389.80  1392.41  9389.80  1392.41  276.319   21.646  276.319   21.646 -0.000000 0.000000 
1 1 1    0   20    4 o  223.716   17.441  6108.00  908.472  6108.00  908.472  6108.00  908.472  223.716   17.441  223.716   17.441 -0.000000 0.000000 
1 1 1    0   20    5 o   78.231   6.3478  738.300  115.488  738.300  115.488  738.300  115.488   78.231   6.3478   78.231   6.3478 0.000000 0.000000 
1 1 1    0   20    6 o  172.849   13.487  3626.60  542.788  3626.60  542.788  3626.60  542.788  172.849   13.487  172.849   13.487 0.000000 0.000000 
1 1 1    0   20    7 o  357.435   28.621 16072.90  2380.05 16072.90  2380.05 16072.90  2380.05  357.435   28.621  357.435   28.621 0.000000 0.000000 
1 1 1    0   20    8 o  266.119   20.909  8730.30  1295.29  8730.30  1295.29  8730.30  1295.29  266.119   20.909  266.119   20.909 -0.000000 0.000000 
1 1 1    0   20    9 o  297.322   23.515 10982.10  1627.18 10982.10  1627.18 10982.10  1627.18  297.322   23.515  297.322   23.515 -0.000000 0.000000 
1 1 1    0   20   10 o  252.914   19.864  7878.70  1169.46  7878.70  1169.46  7878.70  1169.46  252.914   19.864  252.914   19.864 -0.000000 0.000000 
1 1 1    0   20   11 o   78.989   6.4487  753.300  118.437  753.300  118.437  753.300  118.437   78.989   6.4487   78.989   6.4487 0.000000 0.000000 
1 1 1    0   20   12 o  360.862   29.261 16589.40  2455.68 16589.40  2455.68 16589.40  2455.68  360.862   29.261  360.862   29.261 -0.000000 0.000000 
1 1 1    0   20   13 o   56.313   4.8189  383.200   63.000  383.200   63.000  383.200   63.000   56.313   4.8189   56.313   4.8189 0.000000 0.000000 
1 1 1    0   20   14 o   37.901   3.6333  174.400   31.831  174.400   31.831  174.400   31.831   37.901   3.6333   37.901   3.6333 0.000000 0.000000 
1 1 1    0   20   15 o  119.419   9.4103  1726.40  261.572  1726.40  261.572  1726.40  261.572  119.419   9.4103  119.419   9.4103 0.000000 0.000000 
1 1 1    0   20   16 o  124.720   9.8214  1884.60  285.122  1884.60  285.122  1884.60  285.122  124.720   9.8214  124.720   9.8214 -0.000000 0.000000 
1 1 1    0   20   17 o  203.274   15.980  5070.30  756.142  5070.30  756.142  5070.30  756.142  203.274   15.980  203.274   15.980 -0.000000 0.000000 
1 1 1    0   20   18 f   50.585   4.3932  309.400   51.566  309.400   51.566  309.400   51.566   50.585   4.3932   50.585   4.3932 -0.000000 0.000000 
1 1 1    0   20   19 o  176.470   13.806  3808.10  567.194  3808.10  567.194  3808.10  567.194  176.470   13.806  176.470   13.806 0.000000 0.000000 
1 1 1    0   20   20 o   34.560   3.3890  145.200   27.047  145.200   27.047  145.200   27.047   34.560   3.3890   34.560   3.3890 -0.000000 0.000000 
1 1 1    0   20   21 o  115.966   9.1336  1631.30  246.543  1631.30  246.543  1631.30  246.543  115.966   9.1336  115.966   9.1336 -0.000000 0.000000 
1 1 1    0   20   22 f  100.856   8.0109  1232.70  188.017  1232.70  188.017  1232.70  188.017  100.856   8.0109  100.856   8.0109 0.000000 0.000000 
1 1 1    0   20   23 o  168.580   13.289  3498.10  521.455  3498.10  521.455  3498.10  521.455  168.580   13.289  168.580   13.289 0.000000 0.000000 
1 1 1    0   20   24 o  120.038   9.4938  1757.50  265.233  1757.50  265.233  1757.50  265.233  120.038   9.4938  120.038   9.4938 0.000000 0.000000 
1 1 1    0   20   25 o   84.987   6.8510  876.800  135.434  876.800  135.434  876.800  135.434   84.987   6.8510   84.987   6.8510 0.000000 0.000000 
1 1 1    0   20   26 f   71.667   5.8820  623.300   97.999  623.300   97.999  623.300   97.999   71.667   5.8820   71.667   5.8820 0.000000 0.000000 
1 1 1    0   20   27 o   76.852   6.2687  718.500  112.020  718.500  112.020  718.500  112.020   76.852   6.2687   76.852   6.2687 0.000000 0.000000 
1 1 1    0   20   28 o   6.4430   2.7734   7.0000   4.3307   7.0000   4.3307   7.0000   4.3307   6.4430   2.7734   6.4430   2.7734 0.000000 0.000000 
1 1 1    0   20   29 o   56.307   4.8068  385.600   62.840  385.600   62.840  385.600   62.840   56.307   4.8068   56.307   4.8068 -0.000000 0.000000 
1 1 1    0   20   30 o   10.765   2.9153   16.400   6.4055   16.400   6.4055   16.400   6.4055   10.765   2.9153   10.765   2.9153 0.000000 0.000000 
1 1 1    0   20   31 o   61.156   5.1550  456.500   73.228  456.500   73.228  456.500   73.228   61.156   5.1550   61.156   5.1550 -0.000000 0.000000 
1 1 1    0   20   32 o   31.103   3.1958  118.400   22.904  118.400   22.904  118.400   22.904   31.103   3.1958   31.103   3.1958 0.000000 0.000000 
1 1 1    0   20   33 o   72.407   6.0023  644.700  101.004  644.700  101.004  644.700  101.004   72.407   6.0023   72.407   6.0023 -0.000000 0.000000 
1 1 1    0   20   34 o   7.3482   2.7421   8.6000   4.4318   8.6000   4.4318   8.6000   4.4318   7.3482   2.7421   7.3482   2.7421 0.000000 0.000000 
1 1 1    0   20   35 o   25.927   2.9534   82.900   17.475   82.900   17.475   82.900   17.475   25.927   2.9534   25.927   2.9534 0.000000 0.000000 
1 1 1    0   20   36 o   65.818   5.5659  536.400   85.082  536.400   85.082  536.400   85.082   65.818   5.5659   65.818   5.5659 -0.000000 0.000000 
1 1 1    0   20   37 o   18.932   2.7381   45.200   11.496   45.200   11.496   45.200   11.496   18.932   2.7381   18.932   2.7381 -0.000000 0.000000 
1 1 1    0   20   38 o   7.2079   2.7654   8.4000   4.4494   8.4000   4.4494   8.4000   4.4494   7.2079   2.7654   7.2079   2.7654 0.000000 0.000000 
1 1 1    0   20   39 o   35.441   3.4817  155.100   28.492  155.100   28.492  155.100   28.492   35.441   3.4817   35.441   3.4817 -0.000000 0.000000 
1 1 1    0   20   40 o   9.0832   2.8310   12.300   5.3231   12.300   5.3231   12.300   5.3231   9.0832   2.8310   9.0832   2.8310 -0.000000 0.000000 
1 1 1    0   20   41 o   26.817   3.0215   89.400   18.508   89.400   18.508   89.400   18.508   26.817   3.0215   26.817   3.0215 -0.000000 0.000000 
1 1 1    0   20   42 o   80.405   7.0492  850.900  131.473  850.900  131.473  850.900  131.473   80.405   7.0492   80.405   7.0492 -0.000000 0.000000 
1 1 1    0   20   43 o   5.2384   2.4779   4.8000   3.4729   4.8000   3.4729   4.8000   3.4729   5.2384   2.4779   5.2384   2.4779 -0.000000 0.000000 
1 1 1    0   20   44 o   12.366   2.8251   20.900   7.1873   20.900   7.1873   20.900   7.1873   12.366   2.8251   12.366   2.8251 -0.000000 0.000000 
1 1 1    0   20   45 o  ?   ?   -3.8000   0.6030  -3.8000   0.6030  -3.8000   0.6030  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   20   46 o   6.7523   2.8049   7.7000   4.4560   7.7000   4.4560   7.7000   4.4560   6.7523   2.8049   6.7523   2.8049 0.000000 0.000000 
1 1 1    0   20   47 o   13.803   2.8109   25.600   8.1058   25.600   8.1058   25.600   8.1058   13.803   2.8109   13.803   2.8109 0.000000 0.000000 
1 1 1    0   20   48 o   7.4435   2.8639   9.1000   4.7667   9.1000   4.7667   9.1000   4.7667   7.4435   2.8639   7.4435   2.8639 -0.000000 0.000000 
1 1 1    0   20   49 o   6.8319   2.8094   7.9000   4.4829   7.9000   4.4829   7.9000   4.4829   6.8319   2.8094   6.8319   2.8094 0.000000 0.000000 
1 1 1    0   20   50 o   21.647   2.9308   60.400   14.207   60.400   14.207   60.400   14.207   21.647   2.9308   21.647   2.9308 -0.000000 0.000000 
1 1 1    0   20   51 o   6.7151   3.2398   8.3000   5.9666   8.3000   5.9666   8.3000   5.9666   6.7151   3.2398   6.7151   3.2398 -0.000000 0.000000 
1 1 1    0   20   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   20   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21    1 o   91.405   7.3281  1008.30  155.830  1008.30  155.830  1008.30  155.830   91.405   7.3281   91.405   7.3281 -0.000000 0.000000 
1 1 1    0   21    2 o   1.7150   1.2008  -1.9000   1.8208  -1.9000   1.8208  -1.9000   1.8208   1.7150   1.2008   1.7150   1.2008 -0.000000 0.000000 
1 1 1    0   21    3 f  132.061   10.365  2109.60  318.634  2109.60  318.634  2109.60  318.634  132.061   10.365  132.061   10.365 0.000000 0.000000 
1 1 1    0   21    4 o  177.684   13.849  3836.70  572.966  3836.70  572.966  3836.70  572.966  177.684   13.849  177.684   13.849 -0.000000 0.000000 
1 1 1    0   21    5 o  305.369   24.166 11595.20  1717.47 11595.20  1717.47 11595.20  1717.47  305.369   24.166  305.369   24.166 -0.000000 0.000000 
1 1 1    0   21    6 o  192.196   14.983  4499.50  670.494  4499.50  670.494  4499.50  670.494  192.196   14.983  192.196   14.983 0.000000 0.000000 
1 1 1    0   21    7 o  229.661   17.969  6465.50  960.766  6465.50  960.766  6465.50  960.766  229.661   17.969  229.661   17.969 -0.000000 0.000000 
1 1 1    0   21    8 f  108.134   8.5984  1413.10  216.361  1413.10  216.361  1413.10  216.361  108.134   8.5984  108.134   8.5984 0.000000 0.000000 
1 1 1    0   21    9 o  285.207   22.579 10109.50  1498.70 10109.50  1498.70 10109.50  1498.70  285.207   22.579  285.207   22.579 0.000000 0.000000 
1 1 1    0   21   10 o  136.649   10.717  2262.60  340.911  2262.60  340.911  2262.60  340.911  136.649   10.717  136.649   10.717 0.000000 0.000000 
1 1 1    0   21   11 o   93.590   7.4709  1057.90  162.686  1057.90  162.686  1057.90  162.686   93.590   7.4709   93.590   7.4709 0.000000 0.000000 
1 1 1    0   21   12 o   47.954   4.2470  278.200   47.223  278.200   47.223  278.200   47.223   47.954   4.2470   47.954   4.2470 0.000000 0.000000 
1 1 1    0   21   13 o  124.700   9.8179  1883.30  284.979  1883.30  284.979  1883.30  284.979  124.700   9.8179  124.700   9.8179 0.000000 0.000000 
1 1 1    0   21   14 o   81.442   6.6027  801.100  125.059  801.100  125.059  801.100  125.059   81.442   6.6027   81.442   6.6027 -0.000000 0.000000 
1 1 1    0   21   15 o  268.656   21.341  8991.50  1334.22  8991.50  1334.22  8991.50  1334.22  268.656   21.341  268.656   21.341 0.000000 0.000000 
1 1 1    0   21   16 o  223.285   17.590  6145.30  914.211  6145.30  914.211  6145.30  914.211  223.285   17.590  223.285   17.590 0.000000 0.000000 
1 1 1    0   21   17 o  112.887   8.9352  1543.10  234.751  1543.10  234.751  1543.10  234.751  112.887   8.9352  112.887   8.9352 0.000000 0.000000 
1 1 1    0   21   18 o  141.000   11.086  2417.30  363.859  2417.30  363.859  2417.30  363.859  141.000   11.086  141.000   11.086 -0.000000 0.000000 
1 1 1    0   21   19 o  212.050   16.747  5552.20  826.522  5552.20  826.522  5552.20  826.522  212.050   16.747  212.050   16.747 -0.000000 0.000000 
1 1 1    0   21   20 o   12.648   3.1105   22.000   8.0440   22.000   8.0440   22.000   8.0440   12.648   3.1105   12.648   3.1105 -0.000000 0.000000 
1 1 1    0   21   21 o   3.5204   2.1063   1.5000   3.1169   1.5000   3.1169   1.5000   3.1169   3.5204   2.1063   3.5204   2.1063 -0.000000 0.000000 
1 1 1    0   21   22 o  232.838   18.680  6826.50  1011.86  6826.50  1011.86  6826.50  1011.86  232.838   18.680  232.838   18.680 0.000000 0.000000 
1 1 1    0   21   23 o  129.962   10.263  2064.60  310.441  2064.60  310.441  2064.60  310.441  129.962   10.263  129.962   10.263 0.000000 0.000000 
1 1 1    0   21   24 o   70.754   5.8241  606.700   95.790  606.700   95.790  606.700   95.790   70.754   5.8241   70.754   5.8241 -0.000000 0.000000 
1 1 1    0   21   25 o   3.8839   2.1705   2.4000   2.9761   2.4000   2.9761   2.4000   2.9761   3.8839   2.1705   3.8839   2.1705 -0.000000 0.000000 
1 1 1    0   21   26 o   56.314   4.8077  384.800   62.860  384.800   62.860  384.800   62.860   56.314   4.8077   56.314   4.8077 0.000000 0.000000 
1 1 1    0   21   27 o   87.790   7.1039  941.800  145.048  941.800  145.048  941.800  145.048   87.790   7.1039   87.790   7.1039 -0.000000 0.000000 
1 1 1    0   21   28 o   50.132   4.3899  305.500   51.050  305.500   51.050  305.500   51.050   50.132   4.3899   50.132   4.3899 -0.000000 0.000000 
1 1 1    0   21   29 f   82.281   6.7219  830.100  128.598  830.100  128.598  830.100  128.598   82.281   6.7219   82.281   6.7219 0.000000 0.000000 
1 1 1    0   21   30 o   78.407   6.4334  754.200  117.268  754.200  117.268  754.200  117.268   78.407   6.4334   78.407   6.4334 -0.000000 0.000000 
1 1 1    0   21   31 o   92.015   7.5149  1048.30  160.779  1048.30  160.779  1048.30  160.779   92.015   7.5149   92.015   7.5149 -0.000000 0.000000 
1 1 1    0   21   32 o  105.962   8.6653  1407.90  213.483  1407.90  213.483  1407.90  213.483  105.962   8.6653  105.962   8.6653 0.000000 0.000000 
1 1 1    0   21   33 o   16.570   2.6901   35.000   9.6937   35.000   9.6937   35.000   9.6937   16.570   2.6901   16.570   2.6901 0.000000 0.000000 
1 1 1    0   21   34 o   17.942   2.7122   40.700   10.714   40.700   10.714   40.700   10.714   17.942   2.7122   17.942   2.7122 0.000000 0.000000 
1 1 1    0   21   35 o   18.279   2.7193   42.200   10.973   42.200   10.973   42.200   10.973   18.279   2.7193   18.279   2.7193 0.000000 0.000000 
1 1 1    0   21   36 f   34.120   3.3856  143.000   26.662  143.000   26.662  143.000   26.662   34.120   3.3856   34.120   3.3856 0.000000 0.000000 
1 1 1    0   21   37 o   10.551   2.8485   15.800   6.1339   15.800   6.1339   15.800   6.1339   10.551   2.8485   10.551   2.8485 -0.000000 0.000000 
1 1 1    0   21   38 o   5.4327   2.4795   5.1000   3.4584   5.1000   3.4584   5.1000   3.4584   5.4327   2.4795   5.4327   2.4795 -0.000000 0.000000 
1 1 1    0   21   39 o   12.494   2.7688   21.100   7.1418   21.100   7.1418   21.100   7.1418   12.494   2.7688   12.494   2.7688 0.000000 0.000000 
1 1 1    0   21   40 o   1.9793   1.3168  -0.5000   1.6526  -0.5000   1.6526  -0.5000   1.6526   1.9793   1.3168   1.9793   1.3168 0.000000 0.000000 
1 1 1    0   21   41 o   30.907   3.2313  118.500   22.993  118.500   22.993  118.500   22.993   30.907   3.2313   30.907   3.2313 0.000000 0.000000 
1 1 1    0   21   42 o   24.205   2.9139   73.200   16.016   73.200   16.016   73.200   16.016   24.205   2.9139   24.205   2.9139 0.000000 0.000000 
1 1 1    0   21   43 o   23.838   2.8813   71.100   15.590   71.100   15.590   71.100   15.590   23.838   2.8813   23.838   2.8813 -0.000000 0.000000 
1 1 1    0   21   44 o   24.842   2.9556   77.400   16.690   77.400   16.690   77.400   16.690   24.842   2.9556   24.842   2.9556 -0.000000 0.000000 
1 1 1    0   21   45 o   23.018   2.9068   66.900   15.114   66.900   15.114   66.900   15.114   23.018   2.9068   23.018   2.9068 0.000000 0.000000 
1 1 1    0   21   46 o   3.7202   2.0499   2.3000   2.6131   2.3000   2.6131   2.3000   2.6131   3.7202   2.0499   3.7202   2.0499 -0.000000 0.000000 
1 1 1    0   21   47 o   17.473   2.7462   39.500   10.494   39.500   10.494   39.500   10.494   17.473   2.7462   17.473   2.7462 -0.000000 0.000000 
1 1 1    0   21   48 o   3.8002   2.1517   2.3000   2.9761   2.3000   2.9761   2.3000   2.9761   3.8002   2.1517   3.8002   2.1517 0.000000 0.000000 
1 1 1    0   21   49 o   15.042   3.0685   30.700   9.6401   30.700   9.6401   30.700   9.6401   15.042   3.0685   15.042   3.0685 -0.000000 0.000000 
1 1 1    0   21   50 o   14.705   3.0508   29.600   9.3459   29.600   9.3459   29.600   9.3459   14.705   3.0508   14.705   3.0508 -0.000000 0.000000 
1 1 1    0   21   51 o   10.682   3.2018   17.400   7.0361   17.400   7.0361   17.400   7.0361   10.682   3.2018   10.682   3.2018 0.000000 0.000000 
1 1 1    0   21   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   21   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   22    0 o   10.259   3.2732   15.700   6.9859   15.700   6.9859   15.700   6.9859   10.259   3.2732   10.259   3.2732 0.000000 0.000000 
1 1 1    0   22    1 f  180.743   14.056  3973.40  591.570  3973.40  591.570  3973.40  591.570  180.743   14.056  180.743   14.056 -0.000000 0.000000 
1 1 1    0   22    2 o  208.630   16.328  5317.50  793.061  5317.50  793.061  5317.50  793.061  208.630   16.328  208.630   16.328 -0.000000 0.000000 
1 1 1    0   22    3 o  214.008   16.726  5600.20  833.364  5600.20  833.364  5600.20  833.364  214.008   16.726  214.008   16.726 0.000000 0.000000 
1 1 1    0   22    4 o   8.4475   3.0647   11.200   5.6167   11.200   5.6167   11.200   5.6167   8.4475   3.0647   8.4475   3.0647 -0.000000 0.000000 
1 1 1    0   22    5 o   7.8471   2.9431   9.8000   5.0922   9.8000   5.0922   9.8000   5.0922   7.8471   2.9431   7.8471   2.9431 -0.000000 0.000000 
1 1 1    0   22    6 o  205.788   16.090  5177.50  770.899  5177.50  770.899  5177.50  770.899  205.788   16.090  205.788   16.090 0.000000 0.000000 
1 1 1    0   22    7 o  187.622   14.664  4292.90  640.532  4292.90  640.532  4292.90  640.532  187.622   14.664  187.622   14.664 -0.000000 0.000000 
1 1 1    0   22    8 o  105.745   8.3784  1351.40  206.189  1351.40  206.189  1351.40  206.189  105.745   8.3784  105.745   8.3784 0.000000 0.000000 
1 1 1    0   22    9 o   48.588   4.3028  285.600   48.477  285.600   48.477  285.600   48.477   48.588   4.3028   48.588   4.3028 -0.000000 0.000000 
1 1 1    0   22   10 o   13.542   2.9485   24.500   8.2613   24.500   8.2613   24.500   8.2613   13.542   2.9485   13.542   2.9485 -0.000000 0.000000 
1 1 1    0   22   11 o  143.967   11.284  2515.30  378.182  2515.30  378.182  2515.30  378.182  143.967   11.284  143.967   11.284 0.000000 0.000000 
1 1 1    0   22   12 o  257.874   20.391  8247.90  1223.80  8247.90  1223.80  8247.90  1223.80  257.874   20.391  257.874   20.391 0.000000 0.000000 
1 1 1    0   22   13 o  191.390   14.997  4480.30  668.201  4480.30  668.201  4480.30  668.201  191.390   14.997  191.390   14.997 0.000000 0.000000 
1 1 1    0   22   14 o   24.295   2.9667   72.800   16.342   72.800   16.342   72.800   16.342   24.295   2.9667   24.295   2.9667 -0.000000 0.000000 
1 1 1    0   22   15 o   87.920   7.0761  934.100  144.718  934.100  144.718  934.100  144.718   87.920   7.0761   87.920   7.0761 -0.000000 0.000000 
1 1 1    0   22   16 o  144.436   11.328  2536.20  380.886  2536.20  380.886  2536.20  380.886  144.436   11.328  144.436   11.328 0.000000 0.000000 
1 1 1    0   22   17 o  165.629   13.012  3349.90  501.691  3349.90  501.691  3349.90  501.691  165.629   13.012  165.629   13.012 -0.000000 0.000000 
1 1 1    0   22   18 o  280.519   22.590  9937.40  1474.05  9937.40  1474.05  9937.40  1474.05  280.519   22.590  280.519   22.590 -0.000000 0.000000 
1 1 1    0   22   19 o   22.195   2.9381   61.200   14.646   61.200   14.646   61.200   14.646   22.195   2.9381   22.195   2.9381 -0.000000 0.000000 
1 1 1    0   22   20 f  108.497   8.6474  1428.70  218.311  1428.70  218.311  1428.70  218.311  108.497   8.6474  108.497   8.6474 0.000000 0.000000 
1 1 1    0   22   21 o   82.668   6.6929  827.600  128.682  827.600  128.682  827.600  128.682   82.668   6.6929   82.668   6.6929 0.000000 0.000000 
1 1 1    0   22   22 o   59.329   5.0388  426.200   69.420  426.200   69.420  426.200   69.420   59.329   5.0388   59.329   5.0388 -0.000000 0.000000 
1 1 1    0   22   23 o   16.634   2.7101   35.200   9.7968   35.200   9.7968   35.200   9.7968   16.634   2.7101   16.634   2.7101 0.000000 0.000000 
1 1 1    0   22   24 o   53.780   4.6248  350.600   57.734  350.600   57.734  350.600   57.734   53.780   4.6248   53.780   4.6248 0.000000 0.000000 
1 1 1    0   22   25 o   4.5548   2.2980   3.6000   3.0596   3.6000   3.0596   3.6000   3.0596   4.5548   2.2980   4.5548   2.2980 -0.000000 0.000000 
1 1 1    0   22   26 o   14.885   2.7872   28.800   8.7904   28.800   8.7904   28.800   8.7904   14.885   2.7872   14.885   2.7872 -0.000000 0.000000 
1 1 1    0   22   27 o   35.360   3.4524  152.400   28.196  152.400   28.196  152.400   28.196   35.360   3.4524   35.360   3.4524 0.000000 0.000000 
1 1 1    0   22   28 o  179.027   15.043  4204.80  625.628  4204.80  625.628  4204.80  625.628  179.027   15.043  179.027   15.043 0.000000 0.000000 
1 1 1    0   22   29 o   21.541   2.8082   57.700   13.613   57.700   13.613   57.700   13.613   21.541   2.8082   21.541   2.8082 -0.000000 0.000000 
1 1 1    0   22   30 f   45.543   4.0978  252.800   43.249  252.800   43.249  252.800   43.249   45.543   4.0978   45.543   4.0978 -0.000000 0.000000 
1 1 1    0   22   31 o   75.110   6.2061  693.500  108.342  693.500  108.342  693.500  108.342   75.110   6.2061   75.110   6.2061 0.000000 0.000000 
1 1 1    0   22   32 f   35.389   3.4577  153.100   28.262  153.100   28.262  153.100   28.262   35.389   3.4577   35.389   3.4577 -0.000000 0.000000 
1 1 1    0   22   33 o   71.549   5.9570  631.400   99.039  631.400   99.039  631.400   99.039   71.549   5.9570   71.549   5.9570 0.000000 0.000000 
1 1 1    0   22   34 o   5.1359   2.4906   4.6000   3.5314   4.6000   3.5314   4.6000   3.5314   5.1359   2.4906   5.1359   2.4906 -0.000000 0.000000 
1 1 1    0   22   35 f   19.970   2.7504   50.000   12.269   50.000   12.269   50.000   12.269   19.970   2.7504   19.970   2.7504 -0.000000 0.000000 
1 1 1    0   22   36 o   20.855   2.7666   54.400   12.955   54.400   12.955   54.400   12.955   20.855   2.7666   20.855   2.7666 0.000000 0.000000 
1 1 1    0   22   37 o   23.586   2.8641   69.200   15.325   69.200   15.325   69.200   15.325   23.586   2.8641   23.586   2.8641 0.000000 0.000000 
1 1 1    0   22   38 o   2.6217   1.6471   0.4000   2.1316   0.4000   2.1316   0.4000   2.1316   2.6217   1.6471   2.6217   1.6471 0.000000 0.000000 
1 1 1    0   22   39 o   3.7052   2.0738   2.2000   2.7221   2.2000   2.7221   2.2000   2.7221   3.7052   2.0738   3.7052   2.0738 -0.000000 0.000000 
1 1 1    0   22   40 o   32.238   3.3043  128.800   24.549  128.800   24.549  128.800   24.549   32.238   3.3043   32.238   3.3043 -0.000000 0.000000 
1 1 1    0   22   41 f   55.220   4.8875  384.000   62.582  384.000   62.582  384.000   62.582   55.220   4.8875   55.220   4.8875 -0.000000 0.000000 
1 1 1    0   22   42 o   5.6338   2.5631   5.5000   3.6941   5.5000   3.6941   5.5000   3.6941   5.6338   2.5631   5.6338   2.5631 -0.000000 0.000000 
1 1 1    0   22   43 o   15.684   2.7417   32.000   9.2254   32.000   9.2254   32.000   9.2254   15.684   2.7417   15.684   2.7417 -0.000000 0.000000 
1 1 1    0   22   44 o   15.062   2.7682   29.800   8.8642   29.800   8.8642   29.800   8.8642   15.062   2.7682   15.062   2.7682 0.000000 0.000000 
1 1 1    0   22   45 o   12.360   2.8985   21.100   7.3511   21.100   7.3511   21.100   7.3511   12.360   2.8985   12.360   2.8985 0.000000 0.000000 
1 1 1    0   22   46 o   18.702   2.8053   45.000   11.567   45.000   11.567   45.000   11.567   18.702   2.8053   18.702   2.8053 0.000000 0.000000 
1 1 1    0   22   47 o   18.285   2.8046   43.200   11.262   43.200   11.262   43.200   11.262   18.285   2.8046   18.285   2.8046 -0.000000 0.000000 
1 1 1    0   22   48 o   24.030   2.9779   73.600   16.200   73.600   16.200   73.600   16.200   24.030   2.9779   24.030   2.9779 -0.000000 0.000000 
1 1 1    0   22   49 o   34.630   3.6687  155.000   29.230  155.000   29.230  155.000   29.230   34.630   3.6687   34.630   3.6687 -0.000000 0.000000 
1 1 1    0   22   50 o   1.2954   0.9546  -6.4000   2.1151  -6.4000   2.1151  -6.4000   2.1151   1.2954   0.9546   1.2954   0.9546 -0.000000 0.000000 
1 1 1    0   22   51 o   25.078   3.1941   83.400   18.078   83.400   18.078   83.400   18.078   25.078   3.1941   25.078   3.1941 0.000000 0.000000 
1 1 1    0   22   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   22   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23    1 o  197.269   15.377  4751.50  706.267  4751.50  706.267  4751.50  706.267  197.269   15.377  197.269   15.377 0.000000 0.000000 
1 1 1    0   23    2 o   91.750   7.3399  1016.50  156.682  1016.50  156.682  1016.50  156.682   91.750   7.3399   91.750   7.3399 -0.000000 0.000000 
1 1 1    0   23    3 o   55.671   4.7734  374.500   61.689  374.500   61.689  374.500   61.689   55.671   4.7734   55.671   4.7734 -0.000000 0.000000 
1 1 1    0   23    4 o   43.766   4.0276  232.100   40.814  232.100   40.814  232.100   40.814   43.766   4.0276   43.766   4.0276 -0.000000 0.000000 
1 1 1    0   23    5 o   49.213   4.3249  292.900   49.367  292.900   49.367  292.900   49.367   49.213   4.3249   49.213   4.3249 0.000000 0.000000 
1 1 1    0   23    6 o   32.127   3.2693  125.700   24.213  125.700   24.213  125.700   24.213   32.127   3.2693   32.127   3.2693 -0.000000 0.000000 
1 1 1    0   23    7 o   64.567   5.3748  503.400   80.641  503.400   80.641  503.400   80.641   64.567   5.3748   64.567   5.3748 -0.000000 0.000000 
1 1 1    0   23    8 o  124.756   9.8071  1884.50  284.804  1884.50  284.804  1884.50  284.804  124.756   9.8071  124.756   9.8071 0.000000 0.000000 
1 1 1    0   23    9 o  339.306   27.448 14622.60  2166.12 14622.60  2166.12 14622.60  2166.12  339.306   27.448  339.306   27.448 -0.000000 0.000000 
1 1 1    0   23   10 o  371.498   30.472 17774.10  2631.77 17774.10  2631.77 17774.10  2631.77  371.498   30.472  371.498   30.472 -0.000000 0.000000 
1 1 1    0   23   11 o  132.087   10.398  2115.30  319.699  2115.30  319.699  2115.30  319.699  132.087   10.398  132.087   10.398 -0.000000 0.000000 
1 1 1    0   23   12 f  188.162   14.755  4328.90  646.332  4328.90  646.332  4328.90  646.332  188.162   14.755  188.162   14.755 0.000000 0.000000 
1 1 1    0   23   13 o  172.330   13.500  3623.10  541.608  3623.10  541.608  3623.10  541.608  172.330   13.500  172.330   13.500 0.000000 0.000000 
1 1 1    0   23   14 f  216.085   17.058  5753.40  857.905  5753.40  857.905  5753.40  857.905  216.085   17.058  216.085   17.058 -0.000000 0.000000 
1 1 1    0   23   15 o  127.804   10.074  1982.10  299.678  1982.10  299.678  1982.10  299.678  127.804   10.074  127.804   10.074 0.000000 0.000000 
1 1 1    0   23   16 o  310.673   25.213 12302.40  1821.60 12302.40  1821.60 12302.40  1821.60  310.673   25.213  310.673   25.213 0.000000 0.000000 
1 1 1    0   23   17 f  151.651   11.921  2805.00  420.820  2805.00  420.820  2805.00  420.820  151.651   11.921  151.651   11.921 0.000000 0.000000 
1 1 1    0   23   18 o   76.017   6.2154  698.800  109.853  698.800  109.853  698.800  109.853   76.017   6.2154   76.017   6.2154 0.000000 0.000000 
1 1 1    0   23   19 o   25.335   2.9992   79.000   17.281   79.000   17.281   79.000   17.281   25.335   2.9992   25.335   2.9992 0.000000 0.000000 
1 1 1    0   23   20 o  161.227   12.755  3196.60  478.622  3196.60  478.622  3196.60  478.622  161.227   12.755  161.227   12.755 0.000000 0.000000 
1 1 1    0   23   21 o  222.291   18.001  6256.50  930.645  6256.50  930.645  6256.50  930.645  222.291   18.001  222.291   18.001 0.000000 0.000000 
1 1 1    0   23   22 o  122.195   9.7298  1827.50  276.654  1827.50  276.654  1827.50  276.654  122.195   9.7298  122.195   9.7298 -0.000000 0.000000 
1 1 1    0   23   23 o   94.933   7.6294  1098.20  168.488  1098.20  168.488  1098.20  168.488   94.933   7.6294   94.933   7.6294 0.000000 0.000000 
1 1 1    0   23   24 o   1.8319   1.3118  -4.2000   2.6330  -4.2000   2.6330  -4.2000   2.6330   1.8319   1.3118   1.8319   1.3118 0.000000 0.000000 
1 1 1    0   23   25 o   29.895   3.1941  109.400   21.899  109.400   21.899  109.400   21.899   29.895   3.1941   29.895   3.1941 0.000000 0.000000 
1 1 1    0   23   26 o   55.705   4.7955  377.300   62.005  377.300   62.005  377.300   62.005   55.705   4.7955   55.705   4.7955 0.000000 0.000000 
1 1 1    0   23   27 o  141.523   11.588  2536.20  381.284  2536.20  381.284  2536.20  381.284  141.523   11.588  141.523   11.588 -0.000000 0.000000 
1 1 1    0   23   28 o   17.461   2.7069   38.600   10.362   38.600   10.362   38.600   10.362   17.461   2.7069   17.461   2.7069 -0.000000 0.000000 
1 1 1    0   23   29 o   60.127   5.0952  441.300   71.147  441.300   71.147  441.300   71.147   60.127   5.0952   60.127   5.0952 0.000000 0.000000 
1 1 1    0   23   30 o  109.749   8.9768  1511.10  229.059  1511.10  229.059  1511.10  229.059  109.749   8.9768  109.749   8.9768 -0.000000 0.000000 
1 1 1    0   23   31 o   13.271   2.9452   23.700   8.0678   23.700   8.0678   23.700   8.0678   13.271   2.9452   13.271   2.9452 -0.000000 0.000000 
1 1 1    0   23   32 o   7.8804   2.8746   9.8000   4.9276   9.8000   4.9276   9.8000   4.9276   7.8804   2.8746   7.8804   2.8746 -0.000000 0.000000 
1 1 1    0   23   33 o   44.667   4.0446  244.100   41.856  244.100   41.856  244.100   41.856   44.667   4.0446   44.667   4.0446 0.000000 0.000000 
1 1 1    0   23   34 o   36.360   3.5156  162.100   29.537  162.100   29.537  162.100   29.537   36.360   3.5156   36.360   3.5156 -0.000000 0.000000 
1 1 1    0   23   35 o   85.975   7.2281  938.500  144.356  938.500  144.356  938.500  144.356   85.975   7.2281   85.975   7.2281 0.000000 0.000000 
1 1 1    0   23   36 o   16.649   2.7205   35.500   9.8375   35.500   9.8375   35.500   9.8375   16.649   2.7205   16.649   2.7205 -0.000000 0.000000 
1 1 1    0   23   37 o   59.355   5.1504  440.500   70.937  440.500   70.937  440.500   70.937   59.355   5.1504   59.355   5.1504 -0.000000 0.000000 
1 1 1    0   23   38 f   18.272   2.7390   42.400   11.035   42.400   11.035   42.400   11.035   18.272   2.7390   18.272   2.7390 -0.000000 0.000000 
1 1 1    0   23   39 o   35.365   3.4901  154.900   28.495  154.900   28.495  154.900   28.495   35.365   3.4901   35.365   3.4901 0.000000 0.000000 
1 1 1    0   23   40 o   3.5585   2.0450   1.9000   2.7440   1.9000   2.7440   1.9000   2.7440   3.5585   2.0450   3.5585   2.0450 0.000000 0.000000 
1 1 1    0   23   41 o   1.2312   0.8729  -1.4000   1.0625  -1.4000   1.0625  -1.4000   1.0625   1.2312   0.8729   1.2312   0.8729 -0.000000 0.000000 
1 1 1    0   23   42 o   27.057   3.0724   91.400   18.976   91.400   18.976   91.400   18.976   27.057   3.0724   27.057   3.0724 0.000000 0.000000 
1 1 1    0   23   43 o   18.561   2.8170   44.100   11.504   44.100   11.504   44.100   11.504   18.561   2.8170   18.561   2.8170 0.000000 0.000000 
1 1 1    0   23   44 o   37.323   3.6842  175.400   31.744  175.400   31.744  175.400   31.744   37.323   3.6842   37.323   3.6842 -0.000000 0.000000 
1 1 1    0   23   45 o   21.848   2.8594   60.600   14.052   60.600   14.052   60.600   14.052   21.848   2.8594   21.848   2.8594 -0.000000 0.000000 
1 1 1    0   23   46 o   28.790   3.1922  104.900   21.020  104.900   21.020  104.900   21.020   28.790   3.1922   28.790   3.1922 -0.000000 0.000000 
1 1 1    0   23   47 o   21.034   2.8719   56.600   13.511   56.600   13.511   56.600   13.511   21.034   2.8719   21.034   2.8719 0.000000 0.000000 
1 1 1    0   23   48 o   18.962   2.8280   46.500   11.833   46.500   11.833   46.500   11.833   18.962   2.8280   18.962   2.8280 -0.000000 0.000000 
1 1 1    0   23   49 o   14.164   3.1179   27.800   9.1246   27.800   9.1246   27.800   9.1246   14.164   3.1179   14.164   3.1179 -0.000000 0.000000 
1 1 1    0   23   50 o   26.703   3.2180   93.500   19.510   93.500   19.510   93.500   19.510   26.703   3.2180   26.703   3.2180 -0.000000 0.000000 
1 1 1    0   23   51 o   4.3701   2.5839   2.9000   4.5898   2.9000   4.5898   2.9000   4.5898   4.3701   2.5839   4.3701   2.5839 -0.000000 0.000000 
1 1 1    0   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   23   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24    0 o   18.809   2.8700   44.600   11.866   44.600   11.866   44.600   11.866   18.809   2.8700   18.809   2.8700 0.000000 0.000000 
1 1 1    0   24    1 o  147.055   11.476  2623.80  392.914  2623.80  392.914  2623.80  392.914  147.055   11.476  147.055   11.476 0.000000 0.000000 
1 1 1    0   24    2 o  164.351   12.818  3284.90  490.493  3284.90  490.493  3284.90  490.493  164.351   12.818  164.351   12.818 0.000000 0.000000 
1 1 1    0   24    3 o   78.477   6.3979  743.700  116.749  743.700  116.749  743.700  116.749   78.477   6.3979   78.477   6.3979 0.000000 0.000000 
1 1 1    0   24    4 o  120.709   9.5073  1763.50  267.124  1763.50  267.124  1763.50  267.124  120.709   9.5073  120.709   9.5073 -0.000000 0.000000 
1 1 1    0   24    5 o  248.048   19.554  7603.80  1128.98  7603.80  1128.98  7603.80  1128.98  248.048   19.554  248.048   19.554 0.000000 0.000000 
1 1 1    0   24    6 o  159.278   12.468  3084.80  462.326  3084.80  462.326  3084.80  462.326  159.278   12.468  159.278   12.468 -0.000000 0.000000 
1 1 1    0   24    7 o  228.872   18.006  6450.40  959.272  6450.40  959.272  6450.40  959.272  228.872   18.006  228.872   18.006 -0.000000 0.000000 
1 1 1    0   24    8 o  151.680   11.896  2795.60  420.038  2795.60  420.038  2795.60  420.038  151.680   11.896  151.680   11.896 -0.000000 0.000000 
1 1 1    0   24    9 o  247.770   19.591  7599.20  1129.73  7599.20  1129.73  7599.20  1129.73  247.770   19.591  247.770   19.591 -0.000000 0.000000 
1 1 1    0   24   10 o  313.556   25.250 12420.50  1841.65 12420.50  1841.65 12420.50  1841.65  313.556   25.250  313.556   25.250 -0.000000 0.000000 
1 1 1    0   24   11 o  189.995   14.917  4418.20  659.742  4418.20  659.742  4418.20  659.742  189.995   14.917  189.995   14.917 -0.000000 0.000000 
1 1 1    0   24   12 o  159.567   12.517  3101.60  464.975  3101.60  464.975  3101.60  464.975  159.567   12.517  159.567   12.517 0.000000 0.000000 
1 1 1    0   24   13 o  262.634   20.926  8618.50  1278.83  8618.50  1278.83  8618.50  1278.83  262.634   20.926  262.634   20.926 0.000000 0.000000 
1 1 1    0   24   14 o   86.669   7.0114  908.200  141.333  908.200  141.333  908.200  141.333   86.669   7.0114   86.669   7.0114 0.000000 0.000000 
1 1 1    0   24   15 o   83.986   6.7898  852.800  132.631  852.800  132.631  852.800  132.631   83.986   6.7898   83.986   6.7898 0.000000 0.000000 
1 1 1    0   24   16 o  160.524   12.620  3150.40  471.556  3150.40  471.556  3150.40  471.556  160.524   12.620  160.524   12.620 0.000000 0.000000 
1 1 1    0   24   17 o   22.387   2.8796   62.100   14.531   62.100   14.531   62.100   14.531   22.387   2.8796   22.387   2.8796 -0.000000 0.000000 
1 1 1    0   24   18 f  230.833   18.539  6692.60  995.518  6692.60  995.518  6692.60  995.518  230.833   18.539  230.833   18.539 -0.000000 0.000000 
1 1 1    0   24   19 o  219.346   17.643  6050.40  900.216  6050.40  900.216  6050.40  900.216  219.346   17.643  219.346   17.643 0.000000 0.000000 
1 1 1    0   24   20 o  332.228   29.196 15195.60  2249.74 15195.60  2249.74 15195.60  2249.74  332.228   29.196  332.228   29.196 0.000000 0.000000 
1 1 1    0   24   21 o  141.495   11.260  2466.40  370.727  2466.40  370.727  2466.40  370.727  141.495   11.260  141.495   11.260 0.000000 0.000000 
1 1 1    0   24   22 o   41.770   3.8585  211.900   37.311  211.900   37.311  211.900   37.311   41.770   3.8585   41.770   3.8585 0.000000 0.000000 
1 1 1    0   24   23 o   6.8031   3.1658   8.0000   5.6493   8.0000   5.6493   8.0000   5.6493   6.8031   3.1658   6.8031   3.1658 -0.000000 0.000000 
1 1 1    0   24   24 o  131.158   10.574  2138.60  322.599  2138.60  322.599  2138.60  322.599  131.158   10.574  131.158   10.574 0.000000 0.000000 
1 1 1    0   24   25 o   18.209   2.7903   41.900   11.160   41.900   11.160   41.900   11.160   18.209   2.7903   18.209   2.7903 -0.000000 0.000000 
1 1 1    0   24   26 o   59.843   5.1149  436.300   71.063  436.300   71.063  436.300   71.063   59.843   5.1149   59.843   5.1149 0.000000 0.000000 
1 1 1    0   24   27 o   34.814   3.4501  148.000   27.723  148.000   27.723  148.000   27.723   34.814   3.4501   34.814   3.4501 0.000000 0.000000 
1 1 1    0   24   28 o   84.800   6.9743  885.700  137.483  885.700  137.483  885.700  137.483   84.800   6.9743   84.800   6.9743 -0.000000 0.000000 
1 1 1    0   24   29 o   5.5723   2.6660   5.4000   4.0317   5.4000   4.0317   5.4000   4.0317   5.5723   2.6660   5.5723   2.6660 0.000000 0.000000 
1 1 1    0   24   30 o   19.941   2.7776   49.800   12.354   49.800   12.354   49.800   12.354   19.941   2.7776   19.941   2.7776 -0.000000 0.000000 
1 1 1    0   24   31 o   37.568   3.6532  172.700   31.705  172.700   31.705  172.700   31.705   37.568   3.6532   37.568   3.6532 0.000000 0.000000 
1 1 1    0   24   32 f   71.200   6.0104  626.500   99.395  626.500   99.395  626.500   99.395   71.200   6.0104   71.200   6.0104 0.000000 0.000000 
1 1 1    0   24   33 o   23.917   2.9364   71.000   15.914   71.000   15.914   71.000   15.914   23.917   2.9364   23.917   2.9364 -0.000000 0.000000 
1 1 1    0   24   34 o   70.113   5.9340  613.100   96.625  613.100   96.625  613.100   96.625   70.113   5.9340   70.113   5.9340 -0.000000 0.000000 
1 1 1    0   24   35 o   36.058   3.5272  160.100   29.374  160.100   29.374  160.100   29.374   36.058   3.5272   36.058   3.5272 0.000000 0.000000 
1 1 1    0   24   36 o   26.178   3.0065   85.000   17.949   85.000   17.949   85.000   17.949   26.178   3.0065   26.178   3.0065 0.000000 0.000000 
1 1 1    0   24   37 o   10.275   2.8897   15.200   6.0696   15.200   6.0696   15.200   6.0696   10.275   2.8897   10.275   2.8897 -0.000000 0.000000 
1 1 1    0   24   38 o   38.748   3.7949  186.400   33.958  186.400   33.958  186.400   33.958   38.748   3.7949   38.748   3.7949 -0.000000 0.000000 
1 1 1    0   24   39 o   22.425   2.8632   63.000   14.486   63.000   14.486   63.000   14.486   22.425   2.8632   22.425   2.8632 -0.000000 0.000000 
1 1 1    0   24   40 o   3.9181   2.2205   2.4000   3.1733   2.4000   3.1733   2.4000   3.1733   3.9181   2.2205   3.9181   2.2205 -0.000000 0.000000 
1 1 1    0   24   41 f   10.117   2.9764   15.000   6.1791   15.000   6.1791   15.000   6.1791   10.117   2.9764   10.117   2.9764 0.000000 0.000000 
1 1 1    0   24   42 o   25.221   2.9862   79.700   17.129   79.700   17.129   79.700   17.129   25.221   2.9862   25.221   2.9862 -0.000000 0.000000 
1 1 1    0   24   43 o   3.6168   2.1298   1.8000   3.0958   1.8000   3.0958   1.8000   3.0958   3.6168   2.1298   3.6168   2.1298 0.000000 0.000000 
1 1 1    0   24   44 o   3.3174   1.9810   1.4000   2.7462   1.4000   2.7462   1.4000   2.7462   3.3174   1.9810   3.3174   1.9810 -0.000000 0.000000 
1 1 1    0   24   45 o   24.258   2.9847   74.600   16.403   74.600   16.403   74.600   16.403   24.258   2.9847   24.258   2.9847 0.000000 0.000000 
1 1 1    0   24   46 o   2.8291   1.8085   0.2000   2.7019   0.2000   2.7019   0.2000   2.7019   2.8291   1.8085   2.8291   1.8085 0.000000 0.000000 
1 1 1    0   24   47 o   7.2068   2.8901   8.7000   4.7790   8.7000   4.7790   8.7000   4.7790   7.2068   2.8901   7.2068   2.8901 0.000000 0.000000 
1 1 1    0   24   48 o   15.598   2.9956   32.700   9.8568   32.700   9.8568   32.700   9.8568   15.598   2.9956   15.598   2.9956 0.000000 0.000000 
1 1 1    0   24   49 o   6.2319   3.0338   7.1000   5.2482   7.1000   5.2482   7.1000   5.2482   6.2319   3.0338   6.2319   3.0338 0.000000 0.000000 
1 1 1    0   24   50 o  ?   ?   -7.7000   1.0051  -7.7000   1.0051  -7.7000   1.0051  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   24   51 o   4.8717   2.7409   4.2000   4.7879   4.2000   4.7879   4.2000   4.7879   4.8717   2.7409   4.8717   2.7409 -0.000000 0.000000 
1 1 1    0   24   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   24   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25    1 o   81.444   6.5534  800.800  124.157  800.800  124.157  800.800  124.157   81.444   6.5534   81.444   6.5534 -0.000000 0.000000 
1 1 1    0   25    2 o  229.820   18.023  6503.00  964.239  6503.00  964.239  6503.00  964.239  229.820   18.023  229.820   18.023 0.000000 0.000000 
1 1 1    0   25    3 o   39.959   3.7313  193.600   34.502  193.600   34.502  193.600   34.502   39.959   3.7313   39.959   3.7313 0.000000 0.000000 
1 1 1    0   25    4 o  241.783   19.063  7221.10  1072.83  7221.10  1072.83  7221.10  1072.83  241.783   19.063  241.783   19.063 -0.000000 0.000000 
1 1 1    0   25    5 o  153.383   12.011  2859.20  428.883  2859.20  428.883  2859.20  428.883  153.383   12.011  153.383   12.011 0.000000 0.000000 
1 1 1    0   25    6 o  279.844   22.272  9776.30  1450.31  9776.30  1450.31  9776.30  1450.31  279.844   22.272  279.844   22.272 -0.000000 0.000000 
1 1 1    0   25    7 o   22.142   2.8828   60.800   14.367   60.800   14.367   60.800   14.367   22.142   2.8828   22.142   2.8828 -0.000000 0.000000 
1 1 1    0   25    8 o  158.019   12.394  3038.90  455.927  3038.90  455.927  3038.90  455.927  158.019   12.394  158.019   12.394 0.000000 0.000000 
1 1 1    0   25    9 o   2.2196   1.5764  -4.8000   3.5170  -4.8000   3.5170  -4.8000   3.5170   2.2196   1.5764   2.2196   1.5764 0.000000 0.000000 
1 1 1    0   25   10 o  160.467   12.579  3137.50  469.891  3137.50  469.891  3137.50  469.891  160.467   12.579  160.467   12.579 -0.000000 0.000000 
1 1 1    0   25   11 o  180.643   14.184  3993.10  596.449  3993.10  596.449  3993.10  596.449  180.643   14.184  180.643   14.184 0.000000 0.000000 
1 1 1    0   25   12 o   62.431   5.2395  471.000   75.991  471.000   75.991  471.000   75.991   62.431   5.2395   62.431   5.2395 -0.000000 0.000000 
1 1 1    0   25   13 o   46.343   4.1374  260.000   44.447  260.000   44.447  260.000   44.447   46.343   4.1374   46.343   4.1374 -0.000000 0.000000 
1 1 1    0   25   14 o   23.289   2.9938   67.200   15.717   67.200   15.717   67.200   15.717   23.289   2.9938   23.289   2.9938 0.000000 0.000000 
1 1 1    0   25   15 o  184.901   14.598  4208.50  628.250  4208.50  628.250  4208.50  628.250  184.901   14.598  184.901   14.598 -0.000000 0.000000 
1 1 1    0   25   16 o  105.511   8.3871  1350.60  205.926  1350.60  205.926  1350.60  205.926  105.511   8.3871  105.511   8.3871 -0.000000 0.000000 
1 1 1    0   25   17 o  170.678   13.516  3590.20  536.870  3590.20  536.870  3590.20  536.870  170.678   13.516  170.678   13.516 0.000000 0.000000 
1 1 1    0   25   18 o   17.174   2.8414   37.600   10.575   37.600   10.575   37.600   10.575   17.174   2.8414   17.174   2.8414 -0.000000 0.000000 
1 1 1    0   25   19 o  169.808   13.555  3579.20  535.549  3579.20  535.549  3579.20  535.549  169.808   13.555  169.808   13.555 -0.000000 0.000000 
1 1 1    0   25   20 o  116.907   9.3501  1673.00  254.322  1673.00  254.322  1673.00  254.322  116.907   9.3501  116.907   9.3501 -0.000000 0.000000 
1 1 1    0   25   21 o  146.116   11.715  2649.60  398.244  2649.60  398.244  2649.60  398.244  146.116   11.715  146.116   11.715 -0.000000 0.000000 
1 1 1    0   25   22 o   42.008   3.8918  214.500   37.844  214.500   37.844  214.500   37.844   42.008   3.8918   42.008   3.8918 -0.000000 0.000000 
1 1 1    0   25   23 o  103.281   8.3280  1310.50  200.069  1310.50  200.069  1310.50  200.069  103.281   8.3280  103.281   8.3280 -0.000000 0.000000 
1 1 1    0   25   24 o   25.709   2.9982   81.400   17.555   81.400   17.555   81.400   17.555   25.709   2.9982   25.709   2.9982 0.000000 0.000000 
1 1 1    0   25   25 o   11.364   2.9786   18.100   6.9065   18.100   6.9065   18.100   6.9065   11.364   2.9786   11.364   2.9786 0.000000 0.000000 
1 1 1    0   25   26 o   18.688   2.8292   44.100   11.638   44.100   11.638   44.100   11.638   18.688   2.8292   18.688   2.8292 -0.000000 0.000000 
1 1 1    0   25   27 o   19.198   2.8777   46.500   12.181   46.500   12.181   46.500   12.181   19.198   2.8777   19.198   2.8777 -0.000000 0.000000 
1 1 1    0   25   28 o   38.139   3.6580  177.600   32.248  177.600   32.248  177.600   32.248   38.139   3.6580   38.139   3.6580 -0.000000 0.000000 
1 1 1    0   25   29 o   12.597   2.9410   21.600   7.6055   21.600   7.6055   21.600   7.6055   12.597   2.9410   12.597   2.9410 -0.000000 0.000000 
1 1 1    0   25   30 o   5.4163   2.8820   5.0000   4.9892   5.0000   4.9892   5.0000   4.9892   5.4163   2.8820   5.4163   2.8820 -0.000000 0.000000 
1 1 1    0   25   31 o   39.935   3.7644  195.100   34.774  195.100   34.774  195.100   34.774   39.935   3.7644   39.935   3.7644 -0.000000 0.000000 
1 1 1    0   25   32 o   55.660   4.8800  381.200   63.006  381.200   63.006  381.200   63.006   55.660   4.8800   55.660   4.8800 -0.000000 0.000000 
1 1 1    0   25   33 o   16.543   2.9210   35.400   10.349   35.400   10.349   35.400   10.349   16.543   2.9210   16.543   2.9210 -0.000000 0.000000 
1 1 1    0   25   34 o   2.2422   1.5760  -3.6000   3.2281  -3.6000   3.2281  -3.6000   3.2281   2.2422   1.5760   2.2422   1.5760 0.000000 0.000000 
1 1 1    0   25   35 o   35.626   3.5095  156.500   28.867  156.500   28.867  156.500   28.867   35.626   3.5095   35.626   3.5095 -0.000000 0.000000 
1 1 1    0   25   36 o   8.9974   3.0121   12.400   5.7094   12.400   5.7094   12.400   5.7094   8.9974   3.0121   8.9974   3.0121 -0.000000 0.000000 
1 1 1    0   25   37 f   12.548   2.8974   21.500   7.4714   21.500   7.4714   21.500   7.4714   12.548   2.8974   12.548   2.8974 0.000000 0.000000 
1 1 1    0   25   38 o   27.981   3.0918   97.200   19.792   97.200   19.792   97.200   19.792   27.981   3.0918   27.981   3.0918 0.000000 0.000000 
1 1 1    0   25   39 o   4.3131   2.3619   3.1000   3.4445   3.1000   3.4445   3.1000   3.4445   4.3131   2.3619   4.3131   2.3619 -0.000000 0.000000 
1 1 1    0   25   40 o   21.589   2.8380   58.600   13.775   58.600   13.775   58.600   13.775   21.589   2.8380   21.589   2.8380 -0.000000 0.000000 
1 1 1    0   25   41 o   7.6481   2.9242   9.5000   4.9822   9.5000   4.9822   9.5000   4.9822   7.6481   2.9242   7.6481   2.9242 -0.000000 0.000000 
1 1 1    0   25   42 o   16.662   2.7587   35.900   9.9590   35.900   9.9590   35.900   9.9590   16.662   2.7587   16.662   2.7587 0.000000 0.000000 
1 1 1    0   25   43 o   20.913   2.8348   55.500   13.274   55.500   13.274   55.500   13.274   20.913   2.8348   20.913   2.8348 -0.000000 0.000000 
1 1 1    0   25   44 o   17.913   2.8359   41.500   11.095   41.500   11.095   41.500   11.095   17.913   2.8359   17.913   2.8359 0.000000 0.000000 
1 1 1    0   25   45 f   4.9266   2.5142   4.3000   3.6868   4.3000   3.6868   4.3000   3.6868   4.9266   2.5142   4.9266   2.5142 0.000000 0.000000 
1 1 1    0   25   46 o   21.621   2.8834   59.700   13.988   59.700   13.988   59.700   13.988   21.621   2.8834   21.621   2.8834 -0.000000 0.000000 
1 1 1    0   25   47 o   8.0180   3.0132   10.500   5.3325   10.500   5.3325   10.500   5.3325   8.0180   3.0132   8.0180   3.0132 -0.000000 0.000000 
1 1 1    0   25   48 o   8.0272   3.3053   11.100   6.2029   11.100   6.2029   11.100   6.2029   8.0272   3.3053   8.0272   3.3053 -0.000000 0.000000 
1 1 1    0   25   49 o   17.950   2.9507   43.000   11.491   43.000   11.491   43.000   11.491   17.950   2.9507   17.950   2.9507 0.000000 0.000000 
1 1 1    0   25   50 o   11.058   3.3009   18.900   7.5050   18.900   7.5050   18.900   7.5050   11.058   3.3009   11.058   3.3009 0.000000 0.000000 
1 1 1    0   25   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   25   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26    0 o   41.193   3.8264  205.600   36.482  205.600   36.482  205.600   36.482   41.193   3.8264   41.193   3.8264 -0.000000 0.000000 
1 1 1    0   26    1 o   96.691   7.6722  1129.70  172.636  1129.70  172.636  1129.70  172.636   96.691   7.6722   96.691   7.6722 0.000000 0.000000 
1 1 1    0   26    2 o   50.658   4.4127  310.300   51.864  310.300   51.864  310.300   51.864   50.658   4.4127   50.658   4.4127 0.000000 0.000000 
1 1 1    0   26    3 o  289.149   23.037 10479.10  1549.96 10479.10  1549.96 10479.10  1549.96  289.149   23.037  289.149   23.037 -0.000000 0.000000 
1 1 1    0   26    4 o   64.453   5.4021  501.900   80.889  501.900   80.889  501.900   80.889   64.453   5.4021   64.453   5.4021 -0.000000 0.000000 
1 1 1    0   26    5 o  149.451   11.745  2715.80  408.616  2715.80  408.616  2715.80  408.616  149.451   11.745  149.451   11.745 0.000000 0.000000 
1 1 1    0   26    6 o  242.878   19.214  7311.80  1086.10  7311.80  1086.10  7311.80  1086.10  242.878   19.214  242.878   19.214 -0.000000 0.000000 
1 1 1    0   26    7 o   19.400   2.9786   47.500   12.689   47.500   12.689   47.500   12.689   19.400   2.9786   19.400   2.9786 -0.000000 0.000000 
1 1 1    0   26    8 o   10.289   3.2835   15.800   7.0289   15.800   7.0289   15.800   7.0289   10.289   3.2835   10.289   3.2835 -0.000000 0.000000 
1 1 1    0   26    9 o  180.329   14.163  3979.60  594.533  3979.60  594.533  3979.60  594.533  180.329   14.163  180.329   14.163 0.000000 0.000000 
1 1 1    0   26   10 f  196.454   15.456  4742.70  706.777  4742.70  706.777  4742.70  706.777  196.454   15.456  196.454   15.456 0.000000 0.000000 
1 1 1    0   26   11 o  217.453   17.207  5851.90  870.831  5851.90  870.831  5851.90  870.831  217.453   17.207  217.453   17.207 -0.000000 0.000000 
1 1 1    0   26   12 o  144.322   11.347  2537.90  381.195  2537.90  381.195  2537.90  381.195  144.322   11.347  144.322   11.347 -0.000000 0.000000 
1 1 1    0   26   13 o  125.033   9.8840  1900.40  287.628  1900.40  287.628  1900.40  287.628  125.033   9.8840  125.033   9.8840 0.000000 0.000000 
1 1 1    0   26   14 o  269.501   21.884  9244.10  1371.55  9244.10  1371.55  9244.10  1371.55  269.501   21.884  269.501   21.884 0.000000 0.000000 
1 1 1    0   26   15 o   33.371   3.3882  135.700   26.068  135.700   26.068  135.700   26.068   33.371   3.3882   33.371   3.3882 0.000000 0.000000 
1 1 1    0   26   16 o  105.181   8.3847  1344.70  205.207  1344.70  205.207  1344.70  205.207  105.181   8.3847  105.181   8.3847 0.000000 0.000000 
1 1 1    0   26   17 o  123.951   9.8592  1877.70  284.371  1877.70  284.371  1877.70  284.371  123.951   9.8592  123.951   9.8592 -0.000000 0.000000 
1 1 1    0   26   18 o   98.873   7.9421  1190.10  182.675  1190.10  182.675  1190.10  182.675   98.873   7.9421   98.873   7.9421 0.000000 0.000000 
1 1 1    0   26   19 o  101.801   8.1848  1264.70  193.827  1264.70  193.827  1264.70  193.827  101.801   8.1848  101.801   8.1848 -0.000000 0.000000 
1 1 1    0   26   20 f  177.982   14.444  4004.00  597.854  4004.00  597.854  4004.00  597.854  177.982   14.444  177.982   14.444 0.000000 0.000000 
1 1 1    0   26   21 o   60.208   5.0978  440.200   71.281  440.200   71.281  440.200   71.281   60.208   5.0978   60.208   5.0978 0.000000 0.000000 
1 1 1    0   26   22 o   20.800   2.8482   54.000   13.245   54.000   13.245   54.000   13.245   20.800   2.8482   20.800   2.8482 0.000000 0.000000 
1 1 1    0   26   23 o   50.005   4.4228  304.100   51.284  304.100   51.284  304.100   51.284   50.005   4.4228   50.005   4.4228 0.000000 0.000000 
1 1 1    0   26   24 o   19.337   2.9200   47.200   12.434   47.200   12.434   47.200   12.434   19.337   2.9200   19.337   2.9200 -0.000000 0.000000 
1 1 1    0   26   25 o   14.615   2.8576   28.000   8.7837   28.000   8.7837   28.000   8.7837   14.615   2.8576   14.615   2.8576 0.000000 0.000000 
1 1 1    0   26   26 o   8.1675   3.3080   11.000   6.2428   11.000   6.2428   11.000   6.2428   8.1675   3.3080   8.1675   3.3080 0.000000 0.000000 
1 1 1    0   26   27 o   47.299   4.2522  272.900   46.610  272.900   46.610  272.900   46.610   47.299   4.2522   47.299   4.2522 -0.000000 0.000000 
1 1 1    0   26   28 o   26.932   3.0441   89.300   18.722   89.300   18.722   89.300   18.722   26.932   3.0441   26.932   3.0441 -0.000000 0.000000 
1 1 1    0   26   29 o   6.5179   2.9434   7.3000   4.8681   7.3000   4.8681   7.3000   4.8681   6.5179   2.9434   6.5179   2.9434 0.000000 0.000000 
1 1 1    0   26   30 o   37.594   3.6697  173.100   31.865  173.100   31.865  173.100   31.865   37.594   3.6697   37.594   3.6697 -0.000000 0.000000 
1 1 1    0   26   31 o   18.496   2.8503   43.400   11.570   43.400   11.570   43.400   11.570   18.496   2.8503   18.496   2.8503 -0.000000 0.000000 
1 1 1    0   26   32 o   23.915   3.0055   71.200   16.245   71.200   16.245   71.200   16.245   23.915   3.0055   23.915   3.0055 -0.000000 0.000000 
1 1 1    0   26   33 o   38.091   3.6645  178.500   32.260  178.500   32.260  178.500   32.260   38.091   3.6645   38.091   3.6645 0.000000 0.000000 
1 1 1    0   26   34 f   19.727   2.9602   49.400   12.874   49.400   12.874   49.400   12.874   19.727   2.9602   19.727   2.9602 0.000000 0.000000 
1 1 1    0   26   35 o   51.820   4.6996  334.500   56.419  334.500   56.419  334.500   56.419   51.820   4.6996   51.820   4.6996 -0.000000 0.000000 
1 1 1    0   26   36 o   37.904   3.7127  178.000   32.499  178.000   32.499  178.000   32.499   37.904   3.7127   37.904   3.7127 -0.000000 0.000000 
1 1 1    0   26   37 o   30.689   3.2308  116.700   22.819  116.700   22.819  116.700   22.819   30.689   3.2308   30.689   3.2308 0.000000 0.000000 
1 1 1    0   26   38 o   4.6902   2.6773   3.4000   4.6571   3.4000   4.6571   3.4000   4.6571   4.6902   2.6773   4.6902   2.6773 0.000000 0.000000 
1 1 1    0   26   39 o   8.1148   2.9193   10.400   5.1209   10.400   5.1209   10.400   5.1209   8.1148   2.9193   8.1148   2.9193 -0.000000 0.000000 
1 1 1    0   26   40 o  ?   ?   -5.0000   0.7323  -5.0000   0.7323  -5.0000   0.7323  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   26   41 o   28.897   3.1756  104.400   21.002  104.400   21.002  104.400   21.002   28.897   3.1756   28.897   3.1756 0.000000 0.000000 
1 1 1    0   26   42 o  ?   ?   -3.6000   0.6461  -3.6000   0.6461  -3.6000   0.6461  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   26   43 o   31.570   3.3212  125.500   24.132  125.500   24.132  125.500   24.132   31.570   3.3212   31.570   3.3212 0.000000 0.000000 
1 1 1    0   26   44 o   31.460   3.3551  125.200   24.211  125.200   24.211  125.200   24.211   31.460   3.3551   31.460   3.3551 -0.000000 0.000000 
1 1 1    0   26   45 o   18.715   2.7624   45.000   11.427   45.000   11.427   45.000   11.427   18.715   2.7624   18.715   2.7624 -0.000000 0.000000 
1 1 1    0   26   46 o   14.030   2.8810   26.600   8.4334   26.600   8.4334   26.600   8.4334   14.030   2.8810   14.030   2.8810 -0.000000 0.000000 
1 1 1    0   26   47 o   18.190   2.8201   43.100   11.246   43.100   11.246   43.100   11.246   18.190   2.8201   18.190   2.8201 0.000000 0.000000 
1 1 1    0   26   48 o   11.965   3.3429   21.300   8.1725   21.300   8.1725   21.300   8.1725   11.965   3.3429   11.965   3.3429 -0.000000 0.000000 
1 1 1    0   26   49 o   13.438   3.2530   26.100   8.9472   26.100   8.9472   26.100   8.9472   13.438   3.2530   13.438   3.2530 -0.000000 0.000000 
1 1 1    0   26   50 o   26.149   3.3679   92.900   19.848   92.900   19.848   92.900   19.848   26.149   3.3679   26.149   3.3679 -0.000000 0.000000 
1 1 1    0   26   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   26   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27    1 o  321.135   25.960 13128.00  1938.98 13128.00  1938.98 13128.00  1938.98  321.135   25.960  321.135   25.960 0.000000 0.000000 
1 1 1    0   27    2 o   53.497   4.6094  346.000   57.234  346.000   57.234  346.000   57.234   53.497   4.6094   53.497   4.6094 0.000000 0.000000 
1 1 1    0   27    3 o  350.656   28.725 15858.20  2341.78 15858.20  2341.78 15858.20  2341.78  350.656   28.725  350.656   28.725 0.000000 0.000000 
1 1 1    0   27    4 o   58.285   4.9299  410.500   66.734  410.500   66.734  410.500   66.734   58.285   4.9299   58.285   4.9299 -0.000000 0.000000 
1 1 1    0   27    5 o   76.612   6.2804  709.300  111.860  709.300  111.860  709.300  111.860   76.612   6.2804   76.612   6.2804 -0.000000 0.000000 
1 1 1    0   27    6 o  106.464   8.4575  1372.20  209.534  1372.20  209.534  1372.20  209.534  106.464   8.4575  106.464   8.4575 0.000000 0.000000 
1 1 1    0   27    7 o   25.932   2.9993   82.600   17.727   82.600   17.727   82.600   17.727   25.932   2.9993   25.932   2.9993 0.000000 0.000000 
1 1 1    0   27    8 o  100.607   8.0296  1225.40  187.964  1225.40  187.964  1225.40  187.964  100.607   8.0296  100.607   8.0296 -0.000000 0.000000 
1 1 1    0   27    9 o   28.665   3.1582  100.600   20.716  100.600   20.716  100.600   20.716   28.665   3.1582   28.665   3.1582 0.000000 0.000000 
1 1 1    0   27   10 o  144.806   11.405  2556.50  384.414  2556.50  384.414  2556.50  384.414  144.806   11.405  144.806   11.405 -0.000000 0.000000 
1 1 1    0   27   11 o   91.678   7.3735  1017.70  157.250  1017.70  157.250  1017.70  157.250   91.678   7.3735   91.678   7.3735 0.000000 0.000000 
1 1 1    0   27   12 o   56.796   4.8411  390.200   63.841  390.200   63.841  390.200   63.841   56.796   4.8411   56.796   4.8411 0.000000 0.000000 
1 1 1    0   27   13 o   91.168   7.3692  1007.60  156.259  1007.60  156.259  1007.60  156.259   91.168   7.3692   91.168   7.3692 0.000000 0.000000 
1 1 1    0   27   14 o   25.988   3.0088   83.000   17.819   83.000   17.819   83.000   17.819   25.988   3.0088   25.988   3.0088 0.000000 0.000000 
1 1 1    0   27   15 o  107.562   8.5798  1408.40  214.732  1408.40  214.732  1408.40  214.732  107.562   8.5798  107.562   8.5798 -0.000000 0.000000 
1 1 1    0   27   16 f   99.848   8.0043  1213.30  185.932  1213.30  185.932  1213.30  185.932   99.848   8.0043   99.848   8.0043 0.000000 0.000000 
1 1 1    0   27   17 o   52.253   4.5768  331.100   55.475  331.100   55.475  331.100   55.475   52.253   4.5768   52.253   4.5768 -0.000000 0.000000 
1 1 1    0   27   18 o   6.4885   2.9113   7.2000   4.7618   7.2000   4.7618   7.2000   4.7618   6.4885   2.9113   6.4885   2.9113 0.000000 0.000000 
1 1 1    0   27   19 o   12.141   3.2113   20.700   7.9541   20.700   7.9541   20.700   7.9541   12.141   3.2113   12.141   3.2113 0.000000 0.000000 
1 1 1    0   27   20 o   32.189   3.2871  126.500   24.388  126.500   24.388  126.500   24.388   32.189   3.2871   32.189   3.2871 -0.000000 0.000000 
1 1 1    0   27   21 o   60.189   5.1174  440.500   71.523  440.500   71.523  440.500   71.523   60.189   5.1174   60.189   5.1174 -0.000000 0.000000 
1 1 1    0   27   22 o   46.495   4.1612  262.900   44.845  262.900   44.845  262.900   44.845   46.495   4.1612   46.495   4.1612 -0.000000 0.000000 
1 1 1    0   27   23 o   76.386   6.3136  714.000  112.091  714.000  112.091  714.000  112.091   76.386   6.3136   76.386   6.3136 -0.000000 0.000000 
1 1 1    0   27   24 o   35.835   3.5330  156.800   29.229  156.800   29.229  156.800   29.229   35.835   3.5330   35.835   3.5330 -0.000000 0.000000 
1 1 1    0   27   25 o   44.235   4.0599  238.600   41.587  238.600   41.587  238.600   41.587   44.235   4.0599   44.235   4.0599 -0.000000 0.000000 
1 1 1    0   27   26 o   38.841   3.7184  184.200   33.386  184.200   33.386  184.200   33.386   38.841   3.7184   38.841   3.7184 0.000000 0.000000 
1 1 1    0   27   27 o   51.266   4.5309  321.000   53.865  321.000   53.865  321.000   53.865   51.266   4.5309   51.266   4.5309 0.000000 0.000000 
1 1 1    0   27   28 o   10.761   2.9707   16.500   6.5283   16.500   6.5283   16.500   6.5283   10.761   2.9707   10.761   2.9707 -0.000000 0.000000 
1 1 1    0   27   29 o   69.237   5.8446  591.000   93.989  591.000   93.989  591.000   93.989   69.237   5.8446   69.237   5.8446 0.000000 0.000000 
1 1 1    0   27   30 o   46.400   4.1807  263.800   44.951  263.800   44.951  263.800   44.951   46.400   4.1807   46.400   4.1807 -0.000000 0.000000 
1 1 1    0   27   31 o   53.319   4.7075  350.200   58.207  350.200   58.207  350.200   58.207   53.319   4.7075   53.319   4.7075 0.000000 0.000000 
1 1 1    0   27   32 o   47.865   4.3374  282.500   48.099  282.500   48.099  282.500   48.099   47.865   4.3374   47.865   4.3374 -0.000000 0.000000 
1 1 1    0   27   33 o   19.284   2.8082   47.000   11.996   47.000   11.996   47.000   11.996   19.284   2.8082   19.284   2.8082 0.000000 0.000000 
1 1 1    0   27   34 o   38.405   3.7596  182.400   33.345  182.400   33.345  182.400   33.345   38.405   3.7596   38.405   3.7596 -0.000000 0.000000 
1 1 1    0   27   35 o   40.061   3.8217  198.700   35.397  198.700   35.397  198.700   35.397   40.061   3.8217   40.061   3.8217 -0.000000 0.000000 
1 1 1    0   27   36 o   29.900   3.2000  110.800   21.940  110.800   21.940  110.800   21.940   29.900   3.2000   29.900   3.2000 -0.000000 0.000000 
1 1 1    0   27   37 o   33.220   3.3896  136.800   25.955  136.800   25.955  136.800   25.955   33.220   3.3896   33.220   3.3896 0.000000 0.000000 
1 1 1    0   27   38 o   5.7731   2.6666   5.8000   4.0048   5.8000   4.0048   5.8000   4.0048   5.7731   2.6666   5.7731   2.6666 0.000000 0.000000 
1 1 1    0   27   39 o   8.9777   3.0157   12.400   5.7094   12.400   5.7094   12.400   5.7094   8.9777   3.0157   8.9777   3.0157 0.000000 0.000000 
1 1 1    0   27   40 o   25.946   3.0067   84.200   17.777   84.200   17.777   84.200   17.777   25.946   3.0067   25.946   3.0067 0.000000 0.000000 
1 1 1    0   27   41 o   16.269   2.7830   34.400   9.7519   34.400   9.7519   34.400   9.7519   16.269   2.7830   16.269   2.7830 0.000000 0.000000 
1 1 1    0   27   42 o   7.3467   2.9522   9.0000   4.9836   9.0000   4.9836   9.0000   4.9836   7.3467   2.9522   7.3467   2.9522 0.000000 0.000000 
1 1 1    0   27   43 o   2.0864   1.3715  -0.3000   1.7091  -0.3000   1.7091  -0.3000   1.7091   2.0864   1.3715   2.0864   1.3715 0.000000 0.000000 
1 1 1    0   27   44 o   7.0848   3.0047   8.6000   5.0958   8.6000   5.0958   8.6000   5.0958   7.0848   3.0047   7.0848   3.0047 -0.000000 0.000000 
1 1 1    0   27   45 o   18.467   2.8264   44.100   11.467   44.100   11.467   44.100   11.467   18.467   2.8264   18.467   2.8264 -0.000000 0.000000 
1 1 1    0   27   46 o   12.034   2.9049   20.300   7.1567   20.300   7.1567   20.300   7.1567   12.034   2.9049   12.034   2.9049 0.000000 0.000000 
1 1 1    0   27   47 o   23.156   3.0370   69.500   15.815   69.500   15.815   69.500   15.815   23.156   3.0370   23.156   3.0370 0.000000 0.000000 
1 1 1    0   27   48 o   23.580   3.1163   73.300   16.508   73.300   16.508   73.300   16.508   23.580   3.1163   23.580   3.1163 0.000000 0.000000 
1 1 1    0   27   49 o   9.7647   3.2404   15.300   6.6484   15.300   6.6484   15.300   6.6484   9.7647   3.2404   9.7647   3.2404 0.000000 0.000000 
1 1 1    0   27   50 o   4.9447   2.6812   4.5000   4.3954   4.5000   4.3954   4.5000   4.3954   4.9447   2.6812   4.9447   2.6812 -0.000000 0.000000 
1 1 1    0   27   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   27   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   28    0 o  228.378   17.809  6365.60  946.956  6365.60  946.956  6365.60  946.956  228.378   17.809  228.378   17.809 0.000000 0.000000 
1 1 1    0   28    1 o  127.143   9.9822  1962.40  295.445  1962.40  295.445  1962.40  295.445  127.143   9.9822  127.143   9.9822 0.000000 0.000000 
1 1 1    0   28    2 o   85.231   6.8532  878.200  135.876  878.200  135.876  878.200  135.876   85.231   6.8532   85.231   6.8532 -0.000000 0.000000 
1 1 1    0   28    3 o   53.030   4.5803  340.100   56.371  340.100   56.371  340.100   56.371   53.030   4.5803   53.030   4.5803 -0.000000 0.000000 
1 1 1    0   28    4 o   88.101   7.0593  938.600  144.690  938.600  144.690  938.600  144.690   88.101   7.0593   88.101   7.0593 -0.000000 0.000000 
1 1 1    0   28    5 o  113.649   8.9638  1566.00  237.117  1566.00  237.117  1566.00  237.117  113.649   8.9638  113.649   8.9638 0.000000 0.000000 
1 1 1    0   28    6 o  143.543   11.291  2510.80  377.256  2510.80  377.256  2510.80  377.256  143.543   11.291  143.543   11.291 -0.000000 0.000000 
1 1 1    0   28    7 o   68.826   5.6948  572.700   91.096  572.700   91.096  572.700   91.096   68.826   5.6948   68.826   5.6948 -0.000000 0.000000 
1 1 1    0   28    8 o   30.826   3.3244  116.200   23.487  116.200   23.487  116.200   23.487   30.826   3.3244   30.826   3.3244 0.000000 0.000000 
1 1 1    0   28    9 o  319.031   26.572 13304.50  1969.87 13304.50  1969.87 13304.50  1969.87  319.031   26.572  319.031   26.572 0.000000 0.000000 
1 1 1    0   28   10 o   38.299   3.7397  178.400   33.081  178.400   33.081  178.400   33.081   38.299   3.7397   38.299   3.7397 -0.000000 0.000000 
1 1 1    0   28   11 o   74.537   6.1021  672.500  105.746  672.500  105.746  672.500  105.746   74.537   6.1021   74.537   6.1021 -0.000000 0.000000 
1 1 1    0   28   12 o  109.734   8.7796  1465.60  224.148  1465.60  224.148  1465.60  224.148  109.734   8.7796  109.734   8.7796 0.000000 0.000000 
1 1 1    0   28   13 o   61.954   5.2440  464.900   75.453  464.900   75.453  464.900   75.453   61.954   5.2440   61.954   5.2440 -0.000000 0.000000 
1 1 1    0   28   14 o   85.836   6.9330  894.400  138.417  894.400  138.417  894.400  138.417   85.836   6.9330   85.836   6.9330 0.000000 0.000000 
1 1 1    0   28   15 o   20.689   2.9940   53.700   13.736   53.700   13.736   53.700   13.736   20.689   2.9940   20.689   2.9940 -0.000000 0.000000 
1 1 1    0   28   16 o   23.445   2.9300   68.000   15.536   68.000   15.536   68.000   15.536   23.445   2.9300   23.445   2.9300 -0.000000 0.000000 
1 1 1    0   28   17 o   89.695   7.2528  980.800  151.304  980.800  151.304  980.800  151.304   89.695   7.2528   89.695   7.2528 -0.000000 0.000000 
1 1 1    0   28   18 o   31.529   3.2894  121.500   23.880  121.500   23.880  121.500   23.880   31.529   3.2894   31.529   3.2894 0.000000 0.000000 
1 1 1    0   28   19 o  ?   ?   -7.2000   0.8902  -7.2000   0.8902  -7.2000   0.8902  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   28   20 o   65.534   5.4907  522.800   83.597  522.800   83.597  522.800   83.597   65.534   5.4907   65.534   5.4907 -0.000000 0.000000 
1 1 1    0   28   21 o   31.139   3.2390  118.600   23.226  118.600   23.226  118.600   23.226   31.139   3.2390   31.139   3.2390 0.000000 0.000000 
1 1 1    0   28   22 o   60.131   5.1233  440.700   71.531  440.700   71.531  440.700   71.531   60.131   5.1233   60.131   5.1233 -0.000000 0.000000 
1 1 1    0   28   23 o   11.296   3.0792   18.100   7.1008   18.100   7.1008   18.100   7.1008   11.296   3.0792   11.296   3.0792 0.000000 0.000000 
1 1 1    0   28   24 o   24.122   2.9983   72.100   16.367   72.100   16.367   72.100   16.367   24.122   2.9983   24.122   2.9983 -0.000000 0.000000 
1 1 1    0   28   25 o   22.885   2.8985   65.000   14.979   65.000   14.979   65.000   14.979   22.885   2.8985   22.885   2.8985 0.000000 0.000000 
1 1 1    0   28   26 o   27.590   3.1478   93.800   19.818   93.800   19.818   93.800   19.818   27.590   3.1478   27.590   3.1478 -0.000000 0.000000 
1 1 1    0   28   27 o   74.199   6.1779  678.600  106.517  678.600  106.517  678.600  106.517   74.199   6.1779   74.199   6.1779 0.000000 0.000000 
1 1 1    0   28   28 o   9.8569   2.9991   14.300   6.0952   14.300   6.0952   14.300   6.0952   9.8569   2.9991   9.8569   2.9991 -0.000000 0.000000 
1 1 1    0   28   29 o  118.285   10.002  1816.60  274.773  1816.60  274.773  1816.60  274.773  118.285   10.002  118.285   10.002 -0.000000 0.000000 
1 1 1    0   28   30 f   37.055   3.5868  168.500   30.709  168.500   30.709  168.500   30.709   37.055   3.5868   37.055   3.5868 0.000000 0.000000 
1 1 1    0   28   31 o   48.961   4.4573  295.900   50.551  295.900   50.551  295.900   50.551   48.961   4.4573   48.961   4.4573 0.000000 0.000000 
1 1 1    0   28   32 o   56.371   4.9732  395.000   65.015  395.000   65.015  395.000   65.015   56.371   4.9732   56.371   4.9732 0.000000 0.000000 
1 1 1    0   28   33 o   11.785   3.4023   20.200   8.2133   20.200   8.2133   20.200   8.2133   11.785   3.4023   11.785   3.4023 -0.000000 0.000000 
1 1 1    0   28   34 o   69.633   6.0421  615.800   97.628  615.800   97.628  615.800   97.628   69.633   6.0421   69.633   6.0421 0.000000 0.000000 
1 1 1    0   28   35 o   39.190   3.7954  190.400   34.367  190.400   34.367  190.400   34.367   39.190   3.7954   39.190   3.7954 -0.000000 0.000000 
1 1 1    0   28   36 o   14.529   3.1552   28.500   9.4886   28.500   9.4886   28.500   9.4886   14.529   3.1552   14.529   3.1552 -0.000000 0.000000 
1 1 1    0   28   37 o   6.4047   2.7824   7.0000   4.3542   7.0000   4.3542   7.0000   4.3542   6.4047   2.7824   6.4047   2.7824 -0.000000 0.000000 
1 1 1    0   28   38 o   43.626   4.0633  237.500   41.024  237.500   41.024  237.500   41.024   43.626   4.0633   43.626   4.0633 -0.000000 0.000000 
1 1 1    0   28   39 o   23.029   2.8888   66.600   15.039   66.600   15.039   66.600   15.039   23.029   2.8888   23.029   2.8888 -0.000000 0.000000 
1 1 1    0   28   40 o   26.921   3.0714   90.800   18.868   90.800   18.868   90.800   18.868   26.921   3.0714   26.921   3.0714 -0.000000 0.000000 
1 1 1    0   28   41 o   15.868   2.7931   32.900   9.4969   32.900   9.4969   32.900   9.4969   15.868   2.7931   15.868   2.7931 -0.000000 0.000000 
1 1 1    0   28   42 o   33.994   3.4741  145.800   27.220  145.800   27.220  145.800   27.220   33.994   3.4741   33.994   3.4741 0.000000 0.000000 
1 1 1    0   28   43 o   38.446   3.7884  188.000   33.626  188.000   33.626  188.000   33.626   38.446   3.7884   38.446   3.7884 0.000000 0.000000 
1 1 1    0   28   44 f   6.6140   2.7408   7.4000   4.2572   7.4000   4.2572   7.4000   4.2572   6.6140   2.7408   6.6140   2.7408 0.000000 0.000000 
1 1 1    0   28   45 o   8.2028   3.0301   10.900   5.4397   10.900   5.4397   10.900   5.4397   8.2028   3.0301   8.2028   3.0301 0.000000 0.000000 
1 1 1    0   28   46 o   28.519   3.2289  104.500   21.026  104.500   21.026  104.500   21.026   28.519   3.2289   28.519   3.2289 0.000000 0.000000 
1 1 1    0   28   47 o   31.560   3.4604  130.700   24.999  130.700   24.999  130.700   24.999   31.560   3.4604   31.560   3.4604 0.000000 0.000000 
1 1 1    0   28   48 o   12.370   3.3854   23.000   8.5495   23.000   8.5495   23.000   8.5495   12.370   3.3854   12.370   3.3854 -0.000000 0.000000 
1 1 1    0   28   49 o   11.975   3.3283   21.800   8.1412   21.800   8.1412   21.800   8.1412   11.975   3.3283   11.975   3.3283 0.000000 0.000000 
1 1 1    0   28   50 o   9.9404   3.3399   16.200   7.0018   16.200   7.0018   16.200   7.0018   9.9404   3.3399   9.9404   3.3399 -0.000000 0.000000 
1 1 1    0   28   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   29    1 o   47.886   4.2357  277.600   47.033  277.600   47.033  277.600   47.033   47.886   4.2357   47.886   4.2357 -0.000000 0.000000 
1 1 1    0   29    2 o   28.950   3.1341  102.500   20.789  102.500   20.789  102.500   20.789   28.950   3.1341   28.950   3.1341 -0.000000 0.000000 
1 1 1    0   29    3 o  114.710   9.0577  1597.60  241.828  1597.60  241.828  1597.60  241.828  114.710   9.0577  114.710   9.0577 -0.000000 0.000000 
1 1 1    0   29    4 o   64.204   5.3370  498.400   79.629  498.400   79.629  498.400   79.629   64.204   5.3370   64.204   5.3370 -0.000000 0.000000 
1 1 1    0   29    5 o  193.528   15.298  4633.90  689.036  4633.90  689.036  4633.90  689.036  193.528   15.298  193.528   15.298 0.000000 0.000000 
1 1 1    0   29    6 o   62.267   5.2286  469.000   75.632  469.000   75.632  469.000   75.632   62.267   5.2286   62.267   5.2286 -0.000000 0.000000 
1 1 1    0   29    7 o  249.988   20.276  7935.40  1178.79  7935.40  1178.79  7935.40  1178.79  249.988   20.276  249.988   20.276 0.000000 0.000000 
1 1 1    0   29    8 o  107.011   8.5094  1391.60  211.896  1391.60  211.896  1391.60  211.896  107.011   8.5094  107.011   8.5094 -0.000000 0.000000 
1 1 1    0   29    9 f  104.060   8.2929  1316.10  200.797  1316.10  200.797  1316.10  200.797  104.060   8.2929  104.060   8.2929 0.000000 0.000000 
1 1 1    0   29   10 o   16.896   2.9101   36.600   10.577   36.600   10.577   36.600   10.577   16.896   2.9101   16.896   2.9101 0.000000 0.000000 
1 1 1    0   29   11 f   26.861   3.1122   88.700   19.049   88.700   19.049   88.700   19.049   26.861   3.1122   26.861   3.1122 -0.000000 0.000000 
1 1 1    0   29   12 o   97.588   7.8548  1159.20  178.309  1159.20  178.309  1159.20  178.309   97.588   7.8548   97.588   7.8548 -0.000000 0.000000 
1 1 1    0   29   13 o  253.191   21.269  8429.00  1250.95  8429.00  1250.95  8429.00  1250.95  253.191   21.269  253.191   21.269 0.000000 0.000000 
1 1 1    0   29   14 o  207.504   17.036  5518.30  821.827  5518.30  821.827  5518.30  821.827  207.504   17.036  207.504   17.036 0.000000 0.000000 
1 1 1    0   29   15 o   67.951   5.6744  560.800   89.589  560.800   89.589  560.800   89.589   67.951   5.6744   67.951   5.6744 0.000000 0.000000 
1 1 1    0   29   16 o  172.029   14.013  3748.90  560.550  3748.90  560.550  3748.90  560.550  172.029   14.013  172.029   14.013 -0.000000 0.000000 
1 1 1    0   29   17 o  151.572   12.285  2886.80  433.046  2886.80  433.046  2886.80  433.046  151.572   12.285  151.572   12.285 -0.000000 0.000000 
1 1 1    0   29   18 o   29.729   3.2137  108.300   21.893  108.300   21.893  108.300   21.893   29.729   3.2137   29.729   3.2137 -0.000000 0.000000 
1 1 1    0   29   19 o   53.531   4.6681  348.600   57.975  348.600   57.975  348.600   57.975   53.531   4.6681   53.531   4.6681 0.000000 0.000000 
1 1 1    0   29   20 o   1.6691   1.1867  -2.8000   2.0123  -2.8000   2.0123  -2.8000   2.0123   1.6691   1.1867   1.6691   1.1867 0.000000 0.000000 
1 1 1    0   29   21 f  100.238   8.1597  1242.70  190.195  1242.70  190.195  1242.70  190.195  100.238   8.1597  100.238   8.1597 0.000000 0.000000 
1 1 1    0   29   22 o  107.507   8.7571  1438.40  218.916  1438.40  218.916  1438.40  218.916  107.507   8.7571  107.507   8.7571 0.000000 0.000000 
1 1 1    0   29   23 o   62.990   5.3722  485.100   78.570  485.100   78.570  485.100   78.570   62.990   5.3722   62.990   5.3722 -0.000000 0.000000 
1 1 1    0   29   24 o   21.698   2.8420   58.600   13.869   58.600   13.869   58.600   13.869   21.698   2.8420   21.698   2.8420 0.000000 0.000000 
1 1 1    0   29   25 o   14.380   3.1712   27.800   9.4203   27.800   9.4203   27.800   9.4203   14.380   3.1712   14.380   3.1712 -0.000000 0.000000 
1 1 1    0   29   26 o   55.043   4.7863  370.800   61.128  370.800   61.128  370.800   61.128   55.043   4.7863   55.043   4.7863 0.000000 0.000000 
1 1 1    0   29   27 o   96.180   7.9936  1161.90  178.661  1161.90  178.661  1161.90  178.661   96.180   7.9936   96.180   7.9936 -0.000000 0.000000 
1 1 1    0   29   28 o   24.526   2.9846   74.600   16.603   74.600   16.603   74.600   16.603   24.526   2.9846   24.526   2.9846 0.000000 0.000000 
1 1 1    0   29   29 o   33.676   3.4501  139.500   26.776  139.500   26.776  139.500   26.776   33.676   3.4501   33.676   3.4501 -0.000000 0.000000 
1 1 1    0   29   30 o   24.193   2.9351   72.700   16.111   72.700   16.111   72.700   16.111   24.193   2.9351   24.193   2.9351 0.000000 0.000000 
1 1 1    0   29   31 o   10.649   3.3666   17.000   7.4437   17.000   7.4437   17.000   7.4437   10.649   3.3666   10.649   3.3666 0.000000 0.000000 
1 1 1    0   29   32 o   1.5946   1.1281  -2.2000   1.7414  -2.2000   1.7414  -2.2000   1.7414   1.5946   1.1281   1.5946   1.1281 0.000000 0.000000 
1 1 1    0   29   33 o   41.362   3.9586  212.000   37.851  212.000   37.851  212.000   37.851   41.362   3.9586   41.362   3.9586 0.000000 0.000000 
1 1 1    0   29   34 o   65.627   5.7202  545.300   87.096  545.300   87.096  545.300   87.096   65.627   5.7202   65.627   5.7202 -0.000000 0.000000 
1 1 1    0   29   35 o   9.7556   3.3655   14.800   6.9820   14.800   6.9820   14.800   6.9820   9.7556   3.3655   9.7556   3.3655 0.000000 0.000000 
1 1 1    0   29   36 o   30.534   3.2772  115.800   22.942  115.800   22.942  115.800   22.942   30.534   3.2772   30.534   3.2772 -0.000000 0.000000 
1 1 1    0   29   37 o   11.944   2.9298   19.800   7.1562   19.800   7.1562   19.800   7.1562   11.944   2.9298   11.944   2.9298 -0.000000 0.000000 
1 1 1    0   29   38 o   5.8805   2.6701   6.0000   4.0083   6.0000   4.0083   6.0000   4.0083   5.8805   2.6701   5.8805   2.6701 -0.000000 0.000000 
1 1 1    0   29   39 o   4.0346   2.3098   2.5000   3.4799   2.5000   3.4799   2.5000   3.4799   4.0346   2.3098   4.0346   2.3098 0.000000 0.000000 
1 1 1    0   29   40 o   16.479   2.8056   35.300   9.9669   35.300   9.9669   35.300   9.9669   16.479   2.8056   16.479   2.8056 0.000000 0.000000 
1 1 1    0   29   41 o   15.088   2.9743   30.400   9.4243   30.400   9.4243   30.400   9.4243   15.088   2.9743   15.088   2.9743 0.000000 0.000000 
1 1 1    0   29   42 o   3.5950   2.1384   1.7000   3.1770   1.7000   3.1770   1.7000   3.1770   3.5950   2.1384   3.5950   2.1384 0.000000 0.000000 
1 1 1    0   29   43 o   25.142   3.0536   80.200   17.417   80.200   17.417   80.200   17.417   25.142   3.0536   25.142   3.0536 -0.000000 0.000000 
1 1 1    0   29   44 o   29.668   3.2567  111.800   22.115  111.800   22.115  111.800   22.115   29.668   3.2567   29.668   3.2567 0.000000 0.000000 
1 1 1    0   29   45 o   4.1214   2.3827   2.6000   3.7597   2.6000   3.7597   2.6000   3.7597   4.1214   2.3827   4.1214   2.3827 -0.000000 0.000000 
1 1 1    0   29   46 o   7.3478   3.3637   9.8000   6.3667   9.8000   6.3667   9.8000   6.3667   7.3478   3.3637   7.3478   3.3637 -0.000000 0.000000 
1 1 1    0   29   47 o   10.687   3.3360   17.800   7.3822   17.800   7.3822   17.800   7.3822   10.687   3.3360   10.687   3.3360 0.000000 0.000000 
1 1 1    0   29   48 o   4.6769   2.5748   3.9000   4.1187   3.9000   4.1187   3.9000   4.1187   4.6769   2.5748   4.6769   2.5748 -0.000000 0.000000 
1 1 1    0   29   49 o   13.015   3.2634   25.100   8.6753   25.100   8.6753   25.100   8.6753   13.015   3.2634   13.015   3.2634 0.000000 0.000000 
1 1 1    0   29   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   30    0 o   17.525   2.9383   39.200   11.132   39.200   11.132   39.200   11.132   17.525   2.9383   17.525   2.9383 -0.000000 0.000000 
1 1 1    0   30    1 o  133.458   10.518  2175.50  326.730  2175.50  326.730  2175.50  326.730  133.458   10.518  133.458   10.518 -0.000000 0.000000 
1 1 1    0   30    2 o   86.517   6.9520  907.000  139.918  907.000  139.918  907.000  139.918   86.517   6.9520   86.517   6.9520 -0.000000 0.000000 
1 1 1    0   30    3 o   52.975   4.5697  339.700   56.185  339.700   56.185  339.700   56.185   52.975   4.5697   52.975   4.5697 -0.000000 0.000000 
1 1 1    0   30    4 o  101.950   8.1107  1262.60  192.415  1262.60  192.415  1262.60  192.415  101.950   8.1107  101.950   8.1107 -0.000000 0.000000 
1 1 1    0   30    5 o   34.985   3.4316  148.900   27.723  148.900   27.723  148.900   27.723   34.985   3.4316   34.985   3.4316 0.000000 0.000000 
1 1 1    0   30    6 o   27.342   3.0312   91.600   18.956   91.600   18.956   91.600   18.956   27.342   3.0312   27.342   3.0312 0.000000 0.000000 
1 1 1    0   30    7 o  138.900   11.019  2367.30  356.198  2367.30  356.198  2367.30  356.198  138.900   11.019  138.900   11.019 0.000000 0.000000 
1 1 1    0   30    8 o   15.877   3.0002   32.800   10.077   32.800   10.077   32.800   10.077   15.877   3.0002   15.877   3.0002 -0.000000 0.000000 
1 1 1    0   30    9 o  262.089   21.970  9019.60  1337.70  9019.60  1337.70  9019.60  1337.70  262.089   21.970  262.089   21.970 0.000000 0.000000 
1 1 1    0   30   10 o   85.412   6.9466  886.700  137.973  886.700  137.973  886.700  137.973   85.412   6.9466   85.412   6.9466 -0.000000 0.000000 
1 1 1    0   30   11 o  131.780   10.526  2138.80  322.746  2138.80  322.746  2138.80  322.746  131.780   10.526  131.780   10.526 -0.000000 0.000000 
1 1 1    0   30   12 o   32.943   3.3513  132.400   25.451  132.400   25.451  132.400   25.451   32.943   3.3513   32.943   3.3513 0.000000 0.000000 
1 1 1    0   30   13 o  116.563   9.3567  1670.40  253.724  1670.40  253.724  1670.40  253.724  116.563   9.3567  116.563   9.3567 0.000000 0.000000 
1 1 1    0   30   14 o  126.868   10.203  1991.20  301.103  1991.20  301.103  1991.20  301.103  126.868   10.203  126.868   10.203 0.000000 0.000000 
1 1 1    0   30   15 o  132.505   10.703  2183.20  329.869  2183.20  329.869  2183.20  329.869  132.505   10.703  132.505   10.703 0.000000 0.000000 
1 1 1    0   30   16 o  100.280   8.1369  1235.60  189.762  1235.60  189.762  1235.60  189.762  100.280   8.1369  100.280   8.1369 0.000000 0.000000 
1 1 1    0   30   17 o   57.491   4.9382  402.100   65.901  402.100   65.901  402.100   65.901   57.491   4.9382   57.491   4.9382 0.000000 0.000000 
1 1 1    0   30   18 o   88.772   7.2538  967.600  149.721  967.600  149.721  967.600  149.721   88.772   7.2538   88.772   7.2538 0.000000 0.000000 
1 1 1    0   30   19 o   52.148   4.6161  331.300   55.818  331.300   55.818  331.300   55.818   52.148   4.6161   52.148   4.6161 -0.000000 0.000000 
1 1 1    0   30   20 o   20.711   2.8942   53.700   13.363   53.700   13.363   53.700   13.363   20.711   2.8942   20.711   2.8942 -0.000000 0.000000 
1 1 1    0   30   21 o   76.546   6.3248  718.600  112.526  718.600  112.526  718.600  112.526   76.546   6.3248   76.546   6.3248 0.000000 0.000000 
1 1 1    0   30   22 f   4.6969   2.7782   2.9000   5.3095   2.9000   5.3095   2.9000   5.3095   4.6969   2.7782   4.6969   2.7782 -0.000000 0.000000 
1 1 1    0   30   23 o   94.417   7.7266  1106.40  169.612  1106.40  169.612  1106.40  169.612   94.417   7.7266   94.417   7.7266 0.000000 0.000000 
1 1 1    0   30   24 o   31.867   3.3590  124.600   24.633  124.600   24.633  124.600   24.633   31.867   3.3590   31.867   3.3590 0.000000 0.000000 
1 1 1    0   30   25 o   49.929   4.4247  304.800   51.226  304.800   51.226  304.800   51.226   49.929   4.4247   49.929   4.4247 0.000000 0.000000 
1 1 1    0   30   26 o   68.557   5.7804  579.600   92.048  579.600   92.048  579.600   92.048   68.557   5.7804   68.557   5.7804 -0.000000 0.000000 
1 1 1    0   30   27 o   44.304   4.0869  240.700   41.920  240.700   41.920  240.700   41.920   44.304   4.0869   44.304   4.0869 0.000000 0.000000 
1 1 1    0   30   28 f   15.153   2.9110   30.100   9.3047   30.100   9.3047   30.100   9.3047   15.153   2.9110   15.153   2.9110 0.000000 0.000000 
1 1 1    0   30   29 o   13.252   3.0982   24.000   8.4276   24.000   8.4276   24.000   8.4276   13.252   3.0982   13.252   3.0982 0.000000 0.000000 
1 1 1    0   30   30 o   5.5529   2.7199   5.4000   4.2291   5.4000   4.2291   5.4000   4.2291   5.5529   2.7199   5.5529   2.7199 -0.000000 0.000000 
1 1 1    0   30   31 f   12.397   3.2576   21.700   8.2395   21.700   8.2395   21.700   8.2395   12.397   3.2576   12.397   3.2576 -0.000000 0.000000 
1 1 1    0   30   32 o   41.461   3.9513  212.900   37.878  212.900   37.878  212.900   37.878   41.461   3.9513   41.461   3.9513 0.000000 0.000000 
1 1 1    0   30   33 o   6.0766   3.0151   6.5000   5.2245   6.5000   5.2245   6.5000   5.2245   6.0766   3.0151   6.0766   3.0151 -0.000000 0.000000 
1 1 1    0   30   34 o   28.442   3.1715  100.500   20.623  100.500   20.623  100.500   20.623   28.442   3.1715   28.442   3.1715 -0.000000 0.000000 
1 1 1    0   30   35 o   67.860   5.9533  588.300   93.709  588.300   93.709  588.300   93.709   67.860   5.9533   67.860   5.9533 -0.000000 0.000000 
1 1 1    0   30   36 o   13.596   3.0830   25.200   8.6303   25.200   8.6303   25.200   8.6303   13.596   3.0830   13.596   3.0830 -0.000000 0.000000 
1 1 1    0   30   37 o   10.245   3.4337   16.200   7.4136   16.200   7.4136   16.200   7.4136   10.245   3.4337   10.245   3.4337 0.000000 0.000000 
1 1 1    0   30   38 o   3.5251   2.1906   1.0000   3.6659   1.0000   3.6659   1.0000   3.6659   3.5251   2.1906   3.5251   2.1906 -0.000000 0.000000 
1 1 1    0   30   39 o   41.927   3.9906  221.600   38.686  221.600   38.686  221.600   38.686   41.927   3.9906   41.927   3.9906 -0.000000 0.000000 
1 1 1    0   30   40 o   26.443   3.0509   88.000   18.391   88.000   18.391   88.000   18.391   26.443   3.0509   26.443   3.0509 0.000000 0.000000 
1 1 1    0   30   41 o   1.3313   0.9647  -3.3000   1.6335  -3.3000   1.6335  -3.3000   1.6335   1.3313   0.9647   1.3313   0.9647 0.000000 0.000000 
1 1 1    0   30   42 o   15.087   2.8520   30.200   9.1021   30.200   9.1021   30.200   9.1021   15.087   2.8520   15.087   2.8520 0.000000 0.000000 
1 1 1    0   30   43 o   4.7833   2.7442   3.6000   4.9279   3.6000   4.9279   3.6000   4.9279   4.7833   2.7442   4.7833   2.7442 0.000000 0.000000 
1 1 1    0   30   44 o   4.8694   2.5449   4.2000   3.8377   4.2000   3.8377   4.2000   3.8377   4.8694   2.5449   4.8694   2.5449 -0.000000 0.000000 
1 1 1    0   30   45 f   18.231   2.8980   43.700   11.532   43.700   11.532   43.700   11.532   18.231   2.8980   18.231   2.8980 0.000000 0.000000 
1 1 1    0   30   46 o   7.7356   3.4031   10.800   6.5107   10.800   6.5107   10.800   6.5107   7.7356   3.4031   7.7356   3.4031 0.000000 0.000000 
1 1 1    0   30   47 o   5.8434   2.9565   6.4000   5.0728   6.4000   5.0728   6.4000   5.0728   5.8434   2.9565   5.8434   2.9565 0.000000 0.000000 
1 1 1    0   30   48 o   11.018   3.4776   19.400   7.9527   19.400   7.9527   19.400   7.9527   11.018   3.4776   11.018   3.4776 0.000000 0.000000 
1 1 1    0   30   49 o   5.6601   3.0325   6.1000   5.5598   6.1000   5.5598   6.1000   5.5598   5.6601   3.0325   5.6601   3.0325 -0.000000 0.000000 
1 1 1    0   30   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   31    1 o   19.328   2.7677   46.800   11.881   46.800   11.881   46.800   11.881   19.328   2.7677   19.328   2.7677 -0.000000 0.000000 
1 1 1    0   31    2 o  115.112   9.1401  1617.80  244.843  1617.80  244.843  1617.80  244.843  115.112   9.1401  115.112   9.1401 -0.000000 0.000000 
1 1 1    0   31    3 o  137.346   10.877  2317.90  347.680  2317.90  347.680  2317.90  347.680  137.346   10.877  137.346   10.877 0.000000 0.000000 
1 1 1    0   31    4 o  153.403   12.182  2909.30  434.879  2909.30  434.879  2909.30  434.879  153.403   12.182  153.403   12.182 -0.000000 0.000000 
1 1 1    0   31    5 o  134.702   10.688  2230.60  335.049  2230.60  335.049  2230.60  335.049  134.702   10.688  134.702   10.688 0.000000 0.000000 
1 1 1    0   31    6 o  141.678   11.263  2475.70  371.317  2475.70  371.317  2475.70  371.317  141.678   11.263  141.678   11.263 0.000000 0.000000 
1 1 1    0   31    7 o   85.099   6.8913  880.400  136.391  880.400  136.391  880.400  136.391   85.099   6.8913   85.099   6.8913 0.000000 0.000000 
1 1 1    0   31    8 o   47.259   4.2222  271.000   46.253  271.000   46.253  271.000   46.253   47.259   4.2222   47.259   4.2222 -0.000000 0.000000 
1 1 1    0   31    9 o   24.305   2.9923   73.000   16.476   73.000   16.476   73.000   16.476   24.305   2.9923   24.305   2.9923 -0.000000 0.000000 
1 1 1    0   31   10 o   2.3350   1.6395  -3.8000   3.4634  -3.8000   3.4634  -3.8000   3.4634   2.3350   1.6395   2.3350   1.6395 0.000000 0.000000 
1 1 1    0   31   11 o   20.704   2.9433   53.700   13.549   53.700   13.549   53.700   13.549   20.704   2.9433   20.704   2.9433 -0.000000 0.000000 
1 1 1    0   31   12 o   15.241   2.9661   30.400   9.5152   30.400   9.5152   30.400   9.5152   15.241   2.9661   15.241   2.9661 0.000000 0.000000 
1 1 1    0   31   13 f   10.291   3.1559   15.600   6.7043   15.600   6.7043   15.600   6.7043   10.291   3.1559   10.291   3.1559 -0.000000 0.000000 
1 1 1    0   31   14 o   93.474   7.5920  1071.10  165.033  1071.10  165.033  1071.10  165.033   93.474   7.5920   93.474   7.5920 0.000000 0.000000 
1 1 1    0   31   15 o   31.196   3.2825  119.100   23.568  119.100   23.568  119.100   23.568   31.196   3.2825   31.196   3.2825 0.000000 0.000000 
1 1 1    0   31   16 o   42.026   3.9450  215.200   38.356  215.200   38.356  215.200   38.356   42.026   3.9450   42.026   3.9450 -0.000000 0.000000 
1 1 1    0   31   17 o   88.867   7.2605  970.400  150.018  970.400  150.018  970.400  150.018   88.867   7.2605   88.867   7.2605 0.000000 0.000000 
1 1 1    0   31   18 o   47.216   4.2393  271.500   46.389  271.500   46.389  271.500   46.389   47.216   4.2393   47.216   4.2393 -0.000000 0.000000 
1 1 1    0   31   19 o   22.058   3.0144   60.800   14.870   60.800   14.870   60.800   14.870   22.058   3.0144   22.058   3.0144 0.000000 0.000000 
1 1 1    0   31   20 o   17.961   2.9128   41.100   11.379   41.100   11.379   41.100   11.379   17.961   2.9128   17.961   2.9128 -0.000000 0.000000 
1 1 1    0   31   21 o   94.254   7.7197  1101.40  169.164  1101.40  169.164  1101.40  169.164   94.254   7.7197   94.254   7.7197 -0.000000 0.000000 
1 1 1    0   31   22 o  100.282   8.2134  1254.00  191.492  1254.00  191.492  1254.00  191.492  100.282   8.2134  100.282   8.2134 -0.000000 0.000000 
1 1 1    0   31   23 o   62.725   5.3459  482.400   77.858  482.400   77.858  482.400   77.858   62.725   5.3459   62.725   5.3459 -0.000000 0.000000 
1 1 1    0   31   24 o   35.243   3.4771  152.000   28.290  152.000   28.290  152.000   28.290   35.243   3.4771   35.243   3.4771 -0.000000 0.000000 
1 1 1    0   31   25 o   10.951   3.7505   18.500   8.7128   18.500   8.7128   18.500   8.7128   10.951   3.7505   10.951   3.7505 -0.000000 0.000000 
1 1 1    0   31   26 o  ?   ?  -10.7000   1.3640 -10.7000   1.3640 -10.7000   1.3640  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   31   27 o  112.608   9.6250  1660.00  251.633  1660.00  251.633  1660.00  251.633  112.608   9.6250  112.608   9.6250 -0.000000 0.000000 
1 1 1    0   31   28 o   45.530   4.2178  255.700   44.452  255.700   44.452  255.700   44.452   45.530   4.2178   45.530   4.2178 0.000000 0.000000 
1 1 1    0   31   29 o   31.688   3.3416  124.000   24.368  124.000   24.368  124.000   24.368   31.688   3.3416   31.688   3.3416 0.000000 0.000000 
1 1 1    0   31   30 f   20.186   2.9531   51.600   13.195   51.600   13.195   51.600   13.195   20.186   2.9531   20.186   2.9531 0.000000 0.000000 
1 1 1    0   31   31 o   31.310   3.3331  121.400   23.941  121.400   23.941  121.400   23.941   31.310   3.3331   31.310   3.3331 -0.000000 0.000000 
1 1 1    0   31   32 o   28.732   3.2076  102.500   21.068  102.500   21.068  102.500   21.068   28.732   3.2076   28.732   3.2076 0.000000 0.000000 
1 1 1    0   31   33 o   13.989   3.2888   26.900   9.4386   26.900   9.4386   26.900   9.4386   13.989   3.2888   13.989   3.2888 0.000000 0.000000 
1 1 1    0   31   34 o   32.312   3.3391  129.400   24.854  129.400   24.854  129.400   24.854   32.312   3.3391   32.312   3.3391 0.000000 0.000000 
1 1 1    0   31   35 o   23.849   3.0788   71.500   16.544   71.500   16.544   71.500   16.544   23.849   3.0788   23.849   3.0788 0.000000 0.000000 
1 1 1    0   31   36 o   64.801   5.7956  541.200   87.052  541.200   87.052  541.200   87.052   64.801   5.7956   64.801   5.7956 -0.000000 0.000000 
1 1 1    0   31   37 o   37.497   3.7926  176.400   32.794  176.400   32.794  176.400   32.794   37.497   3.7926   37.497   3.7926 -0.000000 0.000000 
1 1 1    0   31   38 f   17.543   2.7825   39.600   10.658   39.600   10.658   39.600   10.658   17.543   2.7825   17.543   2.7825 -0.000000 0.000000 
1 1 1    0   31   39 o   16.218   2.7984   34.300   9.7599   34.300   9.7599   34.300   9.7599   16.218   2.7984   16.218   2.7984 0.000000 0.000000 
1 1 1    0   31   40 o   20.123   2.9525   52.000   13.145   52.000   13.145   52.000   13.145   20.123   2.9525   20.123   2.9525 -0.000000 0.000000 
1 1 1    0   31   41 o   13.557   2.8849   24.900   8.1175   24.900   8.1175   24.900   8.1175   13.557   2.8849   13.557   2.8849 0.000000 0.000000 
1 1 1    0   31   42 o   14.068   2.8955   26.700   8.4959   26.700   8.4959   26.700   8.4959   14.068   2.8955   14.068   2.8955 0.000000 0.000000 
1 1 1    0   31   43 o   13.938   2.8794   26.300   8.3659   26.300   8.3659   26.300   8.3659   13.938   2.8794   13.938   2.8794 0.000000 0.000000 
1 1 1    0   31   44 o   6.2274   2.7600   6.8000   4.2815   6.8000   4.2815   6.8000   4.2815   6.2274   2.7600   6.2274   2.7600 -0.000000 0.000000 
1 1 1    0   31   45 o   19.103   2.8920   48.100   12.160   48.100   12.160   48.100   12.160   19.103   2.8920   19.103   2.8920 0.000000 0.000000 
1 1 1    0   31   46 o   2.5322   1.7029  -1.1000   2.9008  -1.1000   2.9008  -1.1000   2.9008   2.5322   1.7029   2.5322   1.7029 0.000000 0.000000 
1 1 1    0   31   47 o   4.1756   2.5177   2.4000   4.5232   2.4000   4.5232   2.4000   4.5232   4.1756   2.5177   4.1756   2.5177 -0.000000 0.000000 
1 1 1    0   31   48 o   10.003   3.2610   16.100   6.8196   16.100   6.8196   16.100   6.8196   10.003   3.2610   10.003   3.2610 0.000000 0.000000 
1 1 1    0   31   49 o   6.2678   3.2530   7.7000   6.2373   7.7000   6.2373   7.7000   6.2373   6.2678   3.2530   6.2678   3.2530 0.000000 0.000000 
1 1 1    0   32    0 o   23.459   2.9703   68.100   15.736   68.100   15.736   68.100   15.736   23.459   2.9703   23.459   2.9703 0.000000 0.000000 
1 1 1    0   32    1 o   4.0931   2.2706   2.7000   3.2306   2.7000   3.2306   2.7000   3.2306   4.0931   2.2706   4.0931   2.2706 -0.000000 0.000000 
1 1 1    0   32    2 o   13.249   2.7861   23.300   7.6740   23.300   7.6740   23.300   7.6740   13.249   2.7861   13.249   2.7861 -0.000000 0.000000 
1 1 1    0   32    3 o   64.109   5.3592  498.600   79.826  498.600   79.826  498.600   79.826   64.109   5.3592   64.109   5.3592 0.000000 0.000000 
1 1 1    0   32    4 o  141.469   11.291  2479.50  371.658  2479.50  371.658  2479.50  371.658  141.469   11.291  141.469   11.291 0.000000 0.000000 
1 1 1    0   32    5 o   43.025   3.9309  224.800   39.170  224.800   39.170  224.800   39.170   43.025   3.9309   43.025   3.9309 0.000000 0.000000 
1 1 1    0   32    6 o   49.546   4.3598  297.900   50.099  297.900   50.099  297.900   50.099   49.546   4.3598   49.546   4.3598 -0.000000 0.000000 
1 1 1    0   32    7 o   32.197   3.2795  126.500   24.341  126.500   24.341  126.500   24.341   32.197   3.2795   32.197   3.2795 -0.000000 0.000000 
1 1 1    0   32    8 o   65.951   5.4946  528.400   84.202  528.400   84.202  528.400   84.202   65.951   5.4946   65.951   5.4946 -0.000000 0.000000 
1 1 1    0   32    9 o  136.550   11.018  2320.40  349.961  2320.40  349.961  2320.40  349.961  136.550   11.018  136.550   11.018 -0.000000 0.000000 
1 1 1    0   32   10 o  232.396   20.076  7282.10  1082.81  7282.10  1082.81  7282.10  1082.81  232.396   20.076  232.396   20.076 -0.000000 0.000000 
1 1 1    0   32   11 o  110.515   8.9176  1506.30  229.232  1506.30  229.232  1506.30  229.232  110.515   8.9176  110.515   8.9176 -0.000000 0.000000 
1 1 1    0   32   12 o   67.900   5.6678  561.500   89.419  561.500   89.419  561.500   89.419   67.900   5.6678   67.900   5.6678 -0.000000 0.000000 
1 1 1    0   32   13 o   98.390   8.0092  1192.00  183.244  1192.00  183.244  1192.00  183.244   98.390   8.0092   98.390   8.0092 -0.000000 0.000000 
1 1 1    0   32   14 o   86.958   7.1115  927.700  143.780  927.700  143.780  927.700  143.780   86.958   7.1115   86.958   7.1115 -0.000000 0.000000 
1 1 1    0   32   15 o   40.353   3.7981  198.400   35.454  198.400   35.454  198.400   35.454   40.353   3.7981   40.353   3.7981 -0.000000 0.000000 
1 1 1    0   32   16 o  108.521   8.8569  1463.40  223.486  1463.40  223.486  1463.40  223.486  108.521   8.8569  108.521   8.8569 0.000000 0.000000 
1 1 1    0   32   17 o   48.107   4.3126  282.000   48.085  282.000   48.085  282.000   48.085   48.107   4.3126   48.107   4.3126 -0.000000 0.000000 
1 1 1    0   32   18 o   6.1214   2.8816   6.5000   4.6908   6.5000   4.6908   6.5000   4.6908   6.1214   2.8816   6.1214   2.8816 0.000000 0.000000 
1 1 1    0   32   19 o   3.2761   2.0257   0.9000   3.0953   0.9000   3.0953   0.9000   3.0953   3.2761   2.0257   3.2761   2.0257 -0.000000 0.000000 
1 1 1    0   32   20 o   11.916   3.4748   20.600   8.4893   20.600   8.4893   20.600   8.4893   11.916   3.4748   11.916   3.4748 -0.000000 0.000000 
1 1 1    0   32   21 o   4.0570   2.5271   1.2000   4.9079   1.2000   4.9079   1.2000   4.9079   4.0570   2.5271   4.0570   2.5271 0.000000 0.000000 
1 1 1    0   32   22 f   41.962   3.9418  215.300   38.267  215.300   38.267  215.300   38.267   41.962   3.9418   41.962   3.9418 0.000000 0.000000 
1 1 1    0   32   23 o  120.541   10.079  1868.00  282.286  1868.00  282.286  1868.00  282.286  120.541   10.079  120.541   10.079 -0.000000 0.000000 
1 1 1    0   32   24 f   52.440   4.6307  337.500   56.313  337.500   56.313  337.500   56.313   52.440   4.6307   52.440   4.6307 0.000000 0.000000 
1 1 1    0   32   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   32   26 o   55.310   4.8325  377.600   62.008  377.600   62.008  377.600   62.008   55.310   4.8325   55.310   4.8325 0.000000 0.000000 
1 1 1    0   32   27 o   5.0319   2.8042   4.1000   4.9526   4.1000   4.9526   4.1000   4.9526   5.0319   2.8042   5.0319   2.8042 -0.000000 0.000000 
1 1 1    0   32   28 o   97.861   8.4134  1250.90  191.114  1250.90  191.114  1250.90  191.114   97.861   8.4134   97.861   8.4134 -0.000000 0.000000 
1 1 1    0   32   29 o   5.4402   2.9990   4.9000   5.5958   4.9000   5.5958   4.9000   5.5958   5.4402   2.9990   5.4402   2.9990 -0.000000 0.000000 
1 1 1    0   32   30 o   16.708   2.9840   36.300   10.655   36.300   10.655   36.300   10.655   16.708   2.9840   16.708   2.9840 -0.000000 0.000000 
1 1 1    0   32   31 o   17.438   2.8831   39.100   10.896   39.100   10.896   39.100   10.896   17.438   2.8831   17.438   2.8831 -0.000000 0.000000 
1 1 1    0   32   32 o   28.008   3.2298   97.700   20.623   97.700   20.623   97.700   20.623   28.008   3.2298   28.008   3.2298 0.000000 0.000000 
1 1 1    0   32   33 o   9.1881   3.2187   13.200   6.3262   13.200   6.3262   13.200   6.3262   9.1881   3.2187   9.1881   3.2187 -0.000000 0.000000 
1 1 1    0   32   34 o   17.744   2.8006   40.300   10.860   40.300   10.860   40.300   10.860   17.744   2.8006   17.744   2.8006 0.000000 0.000000 
1 1 1    0   32   35 o   67.844   6.0475  595.900   95.113  595.900   95.113  595.900   95.113   67.844   6.0475   67.844   6.0475 0.000000 0.000000 
1 1 1    0   32   36 o   42.444   4.0671  226.300   39.903  226.300   39.903  226.300   39.903   42.444   4.0671   42.444   4.0671 -0.000000 0.000000 
1 1 1    0   32   37 o   31.619   3.4570  125.600   25.027  125.600   25.027  125.600   25.027   31.619   3.4570   31.619   3.4570 0.000000 0.000000 
1 1 1    0   32   38 o   1.3976   1.0160  -4.1000   1.8926  -4.1000   1.8926  -4.1000   1.8926   1.3976   1.0160   1.3976   1.0160 -0.000000 0.000000 
1 1 1    0   32   39 o   8.6900   3.4387   12.600   6.7948   12.600   6.7948   12.600   6.7948   8.6900   3.4387   8.6900   3.4387 -0.000000 0.000000 
1 1 1    0   32   40 o   28.375   3.1793  101.600   20.617  101.600   20.617  101.600   20.617   28.375   3.1793   28.375   3.1793 0.000000 0.000000 
1 1 1    0   32   41 o   2.9933   1.9320   0.0000   3.1783   0.0000   3.1783   0.0000   3.1783   2.9933   1.9320   2.9933   1.9320 0.000000 0.000000 
1 1 1    0   32   42 o   1.7065   1.2147  -3.0000   2.1319  -3.0000   2.1319  -3.0000   2.1319   1.7065   1.2147   1.7065   1.2147 0.000000 0.000000 
1 1 1    0   32   43 o   7.4881   3.0295   9.5000   5.2374   9.5000   5.2374   9.5000   5.2374   7.4881   3.0295   7.4881   3.0295 -0.000000 0.000000 
1 1 1    0   32   44 o   7.9037   3.0185   10.400   5.3112   10.400   5.3112   10.400   5.3112   7.9037   3.0185   7.9037   3.0185 -0.000000 0.000000 
1 1 1    0   32   45 o   30.457   3.4890  123.800   24.241  123.800   24.241  123.800   24.241   30.457   3.4890   30.457   3.4890 -0.000000 0.000000 
1 1 1    0   32   46 f   4.4954   2.6981   2.9000   5.1471   2.9000   5.1471   2.9000   5.1471   4.4954   2.6981   4.4954   2.6981 -0.000000 0.000000 
1 1 1    0   32   47 o   17.316   3.2329   42.000   11.868   42.000   11.868   42.000   11.868   17.316   3.2329   17.316   3.2329 0.000000 0.000000 
1 1 1    0   32   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33    1 o   64.899   5.4079  511.600   81.551  511.600   81.551  511.600   81.551   64.899   5.4079   64.899   5.4079 0.000000 0.000000 
1 1 1    0   33    2 o   19.818   2.7652   49.100   12.220   49.100   12.220   49.100   12.220   19.818   2.7652   19.818   2.7652 -0.000000 0.000000 
1 1 1    0   33    3 f   47.146   4.1922  269.900   45.822  269.900   45.822  269.900   45.822   47.146   4.1922   47.146   4.1922 -0.000000 0.000000 
1 1 1    0   33    4 o   49.368   4.3341  295.900   49.629  295.900   49.629  295.900   49.629   49.368   4.3341   49.368   4.3341 -0.000000 0.000000 
1 1 1    0   33    5 o   23.498   2.9162   68.300   15.510   68.300   15.510   68.300   15.510   23.498   2.9162   23.498   2.9162 -0.000000 0.000000 
1 1 1    0   33    6 f   56.037   4.7940  381.400   62.367  381.400   62.367  381.400   62.367   56.037   4.7940   56.037   4.7940 0.000000 0.000000 
1 1 1    0   33    7 o   22.389   2.8773   62.200   14.522   62.200   14.522   62.200   14.522   22.389   2.8773   22.389   2.8773 -0.000000 0.000000 
1 1 1    0   33    8 o   72.346   5.9741  637.700  100.457  637.700  100.457  637.700  100.457   72.346   5.9741   72.346   5.9741 -0.000000 0.000000 
1 1 1    0   33    9 o   17.390   2.7696   38.400   10.509   38.400   10.509   38.400   10.509   17.390   2.7696   17.390   2.7696 0.000000 0.000000 
1 1 1    0   33   10 o   14.570   2.8953   27.900   8.8478   27.900   8.8478   27.900   8.8478   14.570   2.8953   14.570   2.8953 -0.000000 0.000000 
1 1 1    0   33   11 o   18.640   2.9481   44.100   12.005   44.100   12.005   44.100   12.005   18.640   2.9481   18.640   2.9481 -0.000000 0.000000 
1 1 1    0   33   12 o  151.325   12.483  2920.40  439.085  2920.40  439.085  2920.40  439.085  151.325   12.483  151.325   12.483 -0.000000 0.000000 
1 1 1    0   33   13 o   28.633   3.1745  100.700   20.790  100.700   20.790  100.700   20.790   28.633   3.1745   28.633   3.1745 -0.000000 0.000000 
1 1 1    0   33   14 o   8.7510   3.5252   12.600   7.1005   12.600   7.1005   12.600   7.1005   8.7510   3.5252   8.7510   3.5252 0.000000 0.000000 
1 1 1    0   33   15 o   13.591   3.1536   25.100   8.8041   25.100   8.8041   25.100   8.8041   13.591   3.1536   13.591   3.1536 0.000000 0.000000 
1 1 1    0   33   16 o   61.767   5.2462  465.800   75.248  465.800   75.248  465.800   75.248   61.767   5.2462   61.767   5.2462 -0.000000 0.000000 
1 1 1    0   33   17 o   17.865   2.8085   40.500   10.973   40.500   10.973   40.500   10.973   17.865   2.8085   17.865   2.8085 0.000000 0.000000 
1 1 1    0   33   18 o   4.0379   2.3758   2.2000   3.8468   2.2000   3.8468   2.2000   3.8468   4.0379   2.3758   4.0379   2.3758 0.000000 0.000000 
1 1 1    0   33   19 o   10.433   3.1108   15.900   6.6716   15.900   6.6716   15.900   6.6716   10.433   3.1108   10.433   3.1108 0.000000 0.000000 
1 1 1    0   33   20 o   28.967   3.2296  103.300   21.388  103.300   21.388  103.300   21.388   28.967   3.2296   28.967   3.2296 0.000000 0.000000 
1 1 1    0   33   21 o   35.399   3.5714  153.600   29.156  153.600   29.156  153.600   29.156   35.399   3.5714   35.399   3.5714 0.000000 0.000000 
1 1 1    0   33   22 o   5.6717   3.1211   5.3000   6.0483   5.3000   6.0483   5.3000   6.0483   5.6717   3.1211   5.6717   3.1211 0.000000 0.000000 
1 1 1    0   33   23 o   30.407   3.2637  113.800   22.752  113.800   22.752  113.800   22.752   30.407   3.2637   30.407   3.2637 -0.000000 0.000000 
1 1 1    0   33   24 o   5.8570   2.8678   6.0000   4.7006   6.0000   4.7006   6.0000   4.7006   5.8570   2.8678   5.8570   2.8678 0.000000 0.000000 
1 1 1    0   33   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33   26 o   63.810   5.5085  507.600   81.579  507.600   81.579  507.600   81.579   63.810   5.5085   63.810   5.5085 0.000000 0.000000 
1 1 1    0   33   27 o   70.727   6.0568  629.800   99.450  629.800   99.450  629.800   99.450   70.727   6.0568   70.727   6.0568 -0.000000 0.000000 
1 1 1    0   33   28 o  ?   ?  -20.2000   1.1917 -20.2000   1.1917 -20.2000   1.1917  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   33   29 o   14.575   3.2459   28.800   9.7611   28.800   9.7611   28.800   9.7611   14.575   3.2459   14.575   3.2459 0.000000 0.000000 
1 1 1    0   33   30 o   30.693   3.2844  116.700   23.117  116.700   23.117  116.700   23.117   30.693   3.2844   30.693   3.2844 0.000000 0.000000 
1 1 1    0   33   31 o   2.9081   2.0057  -3.5000   4.5992  -3.5000   4.5992  -3.5000   4.5992   2.9081   2.0057   2.9081   2.0057 0.000000 0.000000 
1 1 1    0   33   32 o   28.066   3.2152   98.100   20.584   98.100   20.584   98.100   20.584   28.066   3.2152   28.066   3.2152 -0.000000 0.000000 
1 1 1    0   33   33 o   11.109   3.2171   18.000   7.3233   18.000   7.3233   18.000   7.3233   11.109   3.2171   11.109   3.2171 0.000000 0.000000 
1 1 1    0   33   34 o   18.236   3.1191   43.200   12.252   43.200   12.252   43.200   12.252   18.236   3.1191   18.236   3.1191 -0.000000 0.000000 
1 1 1    0   33   35 o   21.486   2.9560   58.500   14.190   58.500   14.190   58.500   14.190   21.486   2.9560   21.486   2.9560 0.000000 0.000000 
1 1 1    0   33   36 o   9.5999   3.2009   14.200   6.4657   14.200   6.4657   14.200   6.4657   9.5999   3.2009   9.5999   3.2009 -0.000000 0.000000 
1 1 1    0   33   37 o   3.3948   2.2352  -0.8000   4.5666  -0.8000   4.5666  -0.8000   4.5666   3.3948   2.2352   3.3948   2.2352 -0.000000 0.000000 
1 1 1    0   33   38 o   1.3114   0.9424  -2.4000   1.4103  -2.4000   1.4103  -2.4000   1.4103   1.3114   0.9424   1.3114   0.9424 -0.000000 0.000000 
1 1 1    0   33   39 o   36.678   3.6784  170.300   31.124  170.300   31.124  170.300   31.124   36.678   3.6784   36.678   3.6784 0.000000 0.000000 
1 1 1    0   33   40 o   42.763   4.0972  234.200   40.500  234.200   40.500  234.200   40.500   42.763   4.0972   42.763   4.0972 0.000000 0.000000 
1 1 1    0   33   41 o   29.285   3.3150  109.200   22.166  109.200   22.166  109.200   22.166   29.285   3.3150   29.285   3.3150 -0.000000 0.000000 
1 1 1    0   33   42 o   1.2292   0.8959  -3.5000   1.5276  -3.5000   1.5276  -3.5000   1.5276   1.2292   0.8959   1.2292   0.8959 0.000000 0.000000 
1 1 1    0   33   43 o   5.2041   2.6168   4.9000   3.9596   4.9000   3.9596   4.9000   3.9596   5.2041   2.6168   5.2041   2.6168 0.000000 0.000000 
1 1 1    0   33   44 o   14.780   3.2701   30.900   9.9796   30.900   9.9796   30.900   9.9796   14.780   3.2701   14.780   3.2701 -0.000000 0.000000 
1 1 1    0   33   45 o   20.775   2.9892   57.600   13.783   57.600   13.783   57.600   13.783   20.775   2.9892   20.775   2.9892 -0.000000 0.000000 
1 1 1    0   33   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   33   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34    0 o  258.372   21.391  8643.70  1284.52  8643.70  1284.52  8643.70  1284.52  258.372   21.391  258.372   21.391 -0.000000 0.000000 
1 1 1    0   34    1 o   15.669   2.8097   31.700   9.4011   31.700   9.4011   31.700   9.4011   15.669   2.8097   15.669   2.8097 -0.000000 0.000000 
1 1 1    0   34    2 f   73.950   6.0921  666.800  104.721  666.800  104.721  666.800  104.721   73.950   6.0921   73.950   6.0921 -0.000000 0.000000 
1 1 1    0   34    3 o   90.154   7.3103  996.000  153.273  996.000  153.273  996.000  153.273   90.154   7.3103   90.154   7.3103 0.000000 0.000000 
1 1 1    0   34    4 o   62.994   5.2845  482.900   77.334  482.900   77.334  482.900   77.334   62.994   5.2845   62.994   5.2845 0.000000 0.000000 
1 1 1    0   34    5 o   18.190   2.7778   41.800   11.106   41.800   11.106   41.800   11.106   18.190   2.7778   18.190   2.7778 0.000000 0.000000 
1 1 1    0   34    6 o   46.813   4.1789  266.500   45.348  266.500   45.348  266.500   45.348   46.813   4.1789   46.813   4.1789 0.000000 0.000000 
1 1 1    0   34    7 o   5.0285   2.4948   4.4000   3.5768   4.4000   3.5768   4.4000   3.5768   5.0285   2.4948   5.0285   2.4948 -0.000000 0.000000 
1 1 1    0   34    8 o   30.971   3.2150  117.300   22.932  117.300   22.932  117.300   22.932   30.971   3.2150   30.971   3.2150 -0.000000 0.000000 
1 1 1    0   34    9 o   31.873   3.2801  124.200   24.088  124.200   24.088  124.200   24.088   31.873   3.2801   31.873   3.2801 0.000000 0.000000 
1 1 1    0   34   10 o   34.985   3.4640  149.400   27.973  149.400   27.973  149.400   27.973   34.985   3.4640   34.985   3.4640 0.000000 0.000000 
1 1 1    0   34   11 o   85.926   7.0723  907.400  141.262  907.400  141.262  907.400  141.262   85.926   7.0723   85.926   7.0723 -0.000000 0.000000 
1 1 1    0   34   12 o   88.258   7.2327  958.800  148.408  958.800  148.408  958.800  148.408   88.258   7.2327   88.258   7.2327 0.000000 0.000000 
1 1 1    0   34   13 o   24.547   3.0715   74.700   17.049   74.700   17.049   74.700   17.049   24.547   3.0715   24.547   3.0715 0.000000 0.000000 
1 1 1    0   34   14 o   2.5781   1.7924  -3.5000   3.8625  -3.5000   3.8625  -3.5000   3.8625   2.5781   1.7924   2.5781   1.7924 0.000000 0.000000 
1 1 1    0   34   15 o   31.150   3.3522  119.100   23.935  119.100   23.935  119.100   23.935   31.150   3.3522   31.150   3.3522 -0.000000 0.000000 
1 1 1    0   34   16 o   99.793   8.1672  1239.10  189.492  1239.10  189.492  1239.10  189.492   99.793   8.1672   99.793   8.1672 -0.000000 0.000000 
1 1 1    0   34   17 o   30.468   3.2467  113.900   22.691  113.900   22.691  113.900   22.691   30.468   3.2467   30.468   3.2467 -0.000000 0.000000 
1 1 1    0   34   18 o   5.0574   2.6433   4.4000   4.1402   4.4000   4.1402   4.4000   4.1402   5.0574   2.6433   5.0574   2.6433 0.000000 0.000000 
1 1 1    0   34   19 o   33.294   3.3825  135.800   25.964  135.800   25.964  135.800   25.964   33.294   3.3825   33.294   3.3825 -0.000000 0.000000 
1 1 1    0   34   20 o   37.758   3.6366  174.500   31.734  174.500   31.734  174.500   31.734   37.758   3.6366   37.758   3.6366 -0.000000 0.000000 
1 1 1    0   34   21 o   23.482   3.0646   68.800   16.192   68.800   16.192   68.800   16.192   23.482   3.0646   23.482   3.0646 0.000000 0.000000 
1 1 1    0   34   22 o  ?   ?  -26.4000   1.4214 -26.4000   1.4214 -26.4000   1.4214  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   34   23 o   58.070   5.0474  416.800   68.009  416.800   68.009  416.800   68.009   58.070   5.0474   58.070   5.0474 -0.000000 0.000000 
1 1 1    0   34   24 o   36.545   3.5801  164.300   30.215  164.300   30.215  164.300   30.215   36.545   3.5801   36.545   3.5801 -0.000000 0.000000 
1 1 1    0   34   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   26 f   29.427   3.2715  107.300   22.014  107.300   22.014  107.300   22.014   29.427   3.2715   29.427   3.2715 0.000000 0.000000 
1 1 1    0   34   27 o   53.066   4.7604  350.400   58.548  350.400   58.548  350.400   58.548   53.066   4.7604   53.066   4.7604 -0.000000 0.000000 
1 1 1    0   34   28 o   12.260   3.0525   20.900   7.6465   20.900   7.6465   20.900   7.6465   12.260   3.0525   12.260   3.0525 0.000000 0.000000 
1 1 1    0   34   29 o   21.128   2.9430   56.300   13.868   56.300   13.868   56.300   13.868   21.128   2.9430   21.128   2.9430 -0.000000 0.000000 
1 1 1    0   34   30 o   34.032   3.5461  143.700   27.789  143.700   27.789  143.700   27.789   34.032   3.5461   34.032   3.5461 -0.000000 0.000000 
1 1 1    0   34   31 o   5.7503   2.9405   5.8000   5.0488   5.8000   5.0488   5.8000   5.0488   5.7503   2.9405   5.7503   2.9405 -0.000000 0.000000 
1 1 1    0   34   32 o   71.332   6.2268  655.200  103.045  655.200  103.045  655.200  103.045   71.332   6.2268   71.332   6.2268 0.000000 0.000000 
1 1 1    0   34   33 o   30.147   3.3956  113.700   23.383  113.700   23.383  113.700   23.383   30.147   3.3956   30.147   3.3956 0.000000 0.000000 
1 1 1    0   34   34 o   15.747   3.2485   33.300   10.665   33.300   10.665   33.300   10.665   15.747   3.2485   15.747   3.2485 -0.000000 0.000000 
1 1 1    0   34   35 o   20.656   2.9324   54.300   13.471   54.300   13.471   54.300   13.471   20.656   2.9324   20.656   2.9324 0.000000 0.000000 
1 1 1    0   34   36 o   55.446   5.1755  398.900   66.405  398.900   66.405  398.900   66.405   55.446   5.1755   55.446   5.1755 0.000000 0.000000 
1 1 1    0   34   37 o   34.533   3.5832  150.600   28.498  150.600   28.498  150.600   28.498   34.533   3.5832   34.533   3.5832 -0.000000 0.000000 
1 1 1    0   34   38 o  ?   ?  -10.2000   1.0194 -10.2000   1.0194 -10.2000   1.0194  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   34   39 o   60.486   5.6782  490.100   79.459  490.100   79.459  490.100   79.459   60.486   5.6782   60.486   5.6782 0.000000 0.000000 
1 1 1    0   34   40 o   4.6610   2.4667   3.8000   3.6392   3.8000   3.6392   3.8000   3.6392   4.6610   2.4667   4.6610   2.4667 -0.000000 0.000000 
1 1 1    0   34   41 o   3.0262   1.9005   0.6000   2.8347   0.6000   2.8347   0.6000   2.8347   3.0262   1.9005   3.0262   1.9005 -0.000000 0.000000 
1 1 1    0   34   42 o   21.476   2.9294   59.900   14.073   59.900   14.073   59.900   14.073   21.476   2.9294   21.476   2.9294 -0.000000 0.000000 
1 1 1    0   34   43 o   24.485   3.0527   78.500   16.909   78.500   16.909   78.500   16.909   24.485   3.0527   24.485   3.0527 0.000000 0.000000 
1 1 1    0   34   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   34   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35    1 o  124.684   10.099  1942.70  292.848  1942.70  292.848  1942.70  292.848  124.684   10.099  124.684   10.099 0.000000 0.000000 
1 1 1    0   35    2 o   5.4657   2.7317   5.2000   4.3009   5.2000   4.3009   5.2000   4.3009   5.4657   2.7317   5.4657   2.7317 -0.000000 0.000000 
1 1 1    0   35    3 o   99.946   8.0926  1232.30  188.113  1232.30  188.113  1232.30  188.113   99.946   8.0926   99.946   8.0926 -0.000000 0.000000 
1 1 1    0   35    4 o   6.6019   2.8908   7.4000   4.6989   7.4000   4.6989   7.4000   4.6989   6.6019   2.8908   6.6019   2.8908 0.000000 0.000000 
1 1 1    0   35    5 o   14.665   2.8212   28.100   8.7251   28.100   8.7251   28.100   8.7251   14.665   2.8212   14.665   2.8212 0.000000 0.000000 
1 1 1    0   35    6 o   1.4793   1.0575  -2.6000   1.6828  -2.6000   1.6828  -2.6000   1.6828   1.4793   1.0575   1.4793   1.0575 -0.000000 0.000000 
1 1 1    0   35    7 o   39.054   3.7039  185.900   33.452  185.900   33.452  185.900   33.452   39.054   3.7039   39.054   3.7039 -0.000000 0.000000 
1 1 1    0   35    8 o  125.535   10.211  1979.30  298.066  1979.30  298.066  1979.30  298.066  125.535   10.211  125.535   10.211 0.000000 0.000000 
1 1 1    0   35    9 o  123.668   10.069  1920.60  289.560  1920.60  289.560  1920.60  289.560  123.668   10.069  123.668   10.069 0.000000 0.000000 
1 1 1    0   35   10 o   6.1415   2.8163   6.5000   4.4638   6.5000   4.4638   6.5000   4.4638   6.1415   2.8163   6.1415   2.8163 -0.000000 0.000000 
1 1 1    0   35   11 o   41.553   3.8352  210.400   36.894  210.400   36.894  210.400   36.894   41.553   3.8352   41.553   3.8352 0.000000 0.000000 
1 1 1    0   35   12 o   8.1519   2.9878   10.500   5.3102   10.500   5.3102   10.500   5.3102   8.1519   2.9878   8.1519   2.9878 -0.000000 0.000000 
1 1 1    0   35   13 o   10.870   3.3164   17.400   7.4357   17.400   7.4357   17.400   7.4357   10.870   3.3164   10.870   3.3164 0.000000 0.000000 
1 1 1    0   35   14 o   16.366   2.8099   34.400   9.8985   34.400   9.8985   34.400   9.8985   16.366   2.8099   16.366   2.8099 -0.000000 0.000000 
1 1 1    0   35   15 o   13.627   3.0839   25.100   8.6545   25.100   8.6545   25.100   8.6545   13.627   3.0839   13.627   3.0839 -0.000000 0.000000 
1 1 1    0   35   16 o  120.807   10.065  1860.30  282.525  1860.30  282.525  1860.30  282.525  120.807   10.065  120.807   10.065 -0.000000 0.000000 
1 1 1    0   35   17 o   63.660   5.4377  497.700   80.369  497.700   80.369  497.700   80.369   63.660   5.4377   63.660   5.4377 0.000000 0.000000 
1 1 1    0   35   18 o   10.526   3.3014   16.500   7.2031   16.500   7.2031   16.500   7.2031   10.526   3.3014   10.526   3.3014 0.000000 0.000000 
1 1 1    0   35   19 o   89.209   7.4282  998.300  153.983  998.300  153.983  998.300  153.983   89.209   7.4282   89.209   7.4282 0.000000 0.000000 
1 1 1    0   35   20 o   8.8788   3.3793   12.700   6.6662   12.700   6.6662   12.700   6.6662   8.8788   3.3793   8.8788   3.3793 -0.000000 0.000000 
1 1 1    0   35   21 o   22.461   2.9823   63.100   15.039   63.100   15.039   63.100   15.039   22.461   2.9823   22.461   2.9823 -0.000000 0.000000 
1 1 1    0   35   22 f   57.421   5.0547  408.400   67.316  408.400   67.316  408.400   67.316   57.421   5.0547   57.421   5.0547 0.000000 0.000000 
1 1 1    0   35   23 o   42.583   3.9753  223.300   39.172  223.300   39.172  223.300   39.172   42.583   3.9753   42.583   3.9753 -0.000000 0.000000 
1 1 1    0   35   24 o   5.1672   2.8922   4.3000   5.2942   4.3000   5.2942   4.3000   5.2942   5.1672   2.8922   5.1672   2.8922 -0.000000 0.000000 
1 1 1    0   35   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   26 o   45.398   4.1927  255.200   44.065  255.200   44.065  255.200   44.065   45.398   4.1927   45.398   4.1927 -0.000000 0.000000 
1 1 1    0   35   27 o   13.579   3.4314   25.800   9.5149   25.800   9.5149   25.800   9.5149   13.579   3.4314   13.579   3.4314 -0.000000 0.000000 
1 1 1    0   35   28 o   56.339   5.0056  397.200   65.384  397.200   65.384  397.200   65.384   56.339   5.0056   56.339   5.0056 -0.000000 0.000000 
1 1 1    0   35   29 o   17.435   3.0253   39.400   11.331   39.400   11.331   39.400   11.331   17.435   3.0253   17.435   3.0253 -0.000000 0.000000 
1 1 1    0   35   30 o   5.4419   2.7368   5.2000   4.3317   5.2000   4.3317   5.2000   4.3317   5.4419   2.7368   5.4419   2.7368 0.000000 0.000000 
1 1 1    0   35   31 o   28.015   3.2414   98.000   20.695   98.000   20.695   98.000   20.695   28.015   3.2414   28.015   3.2414 0.000000 0.000000 
1 1 1    0   35   32 o   31.924   3.4129  127.100   24.986  127.100   24.986  127.100   24.986   31.924   3.4129   31.924   3.4129 -0.000000 0.000000 
1 1 1    0   35   33 o   10.428   3.1885   16.200   6.8608   16.200   6.8608   16.200   6.8608   10.428   3.1885   10.428   3.1885 0.000000 0.000000 
1 1 1    0   35   34 o   12.443   3.2562   22.000   8.2664   22.000   8.2664   22.000   8.2664   12.443   3.2562   12.443   3.2562 -0.000000 0.000000 
1 1 1    0   35   35 o   28.592   3.3588  103.300   21.858  103.300   21.858  103.300   21.858   28.592   3.3588   28.592   3.3588 0.000000 0.000000 
1 1 1    0   35   36 o   21.341   3.0801   58.400   14.582   58.400   14.582   58.400   14.582   21.341   3.0801   21.341   3.0801 -0.000000 0.000000 
1 1 1    0   35   37 o   12.012   3.2084   20.700   7.8634   20.700   7.8634   20.700   7.8634   12.012   3.2084   12.012   3.2084 -0.000000 0.000000 
1 1 1    0   35   38 o   23.445   3.1412   70.300   16.514   70.300   16.514   70.300   16.514   23.445   3.1412   23.445   3.1412 -0.000000 0.000000 
1 1 1    0   35   39 o  ?   ?  -15.2000   1.5219 -15.2000   1.5219 -15.2000   1.5219  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   35   40 o   10.974   3.1040   17.700   6.9659   17.700   6.9659   17.700   6.9659   10.974   3.1040   10.974   3.1040 0.000000 0.000000 
1 1 1    0   35   41 f   5.9863   2.8986   6.5000   4.7802   6.5000   4.7802   6.5000   4.7802   5.9863   2.8986   5.9863   2.8986 0.000000 0.000000 
1 1 1    0   35   42 o   8.0799   3.3278   11.400   6.2872   11.400   6.2872   11.400   6.2872   8.0799   3.3278   8.0799   3.3278 -0.000000 0.000000 
1 1 1    0   35   43 o   11.041   3.3928   19.000   7.7354   19.000   7.7354   19.000   7.7354   11.041   3.3928   11.041   3.3928 0.000000 0.000000 
1 1 1    0   35   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   35   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36    0 o  109.752   8.8025  1472.90  224.753  1472.90  224.753  1472.90  224.753  109.752   8.8025  109.752   8.8025 0.000000 0.000000 
1 1 1    0   36    1 o   88.596   7.2165  965.600  148.670  965.600  148.670  965.600  148.670   88.596   7.2165   88.596   7.2165 -0.000000 0.000000 
1 1 1    0   36    2 o   29.242   3.1733  104.900   21.258  104.900   21.258  104.900   21.258   29.242   3.1733   29.242   3.1733 -0.000000 0.000000 
1 1 1    0   36    3 o   28.895   3.1266  102.400   20.701  102.400   20.701  102.400   20.701   28.895   3.1266   28.895   3.1266 0.000000 0.000000 
1 1 1    0   36    4 o  104.331   8.4663  1350.50  205.417  1350.50  205.417  1350.50  205.417  104.331   8.4663  104.331   8.4663 0.000000 0.000000 
1 1 1    0   36    5 o   22.559   2.8453   63.100   14.502   63.100   14.502   63.100   14.502   22.559   2.8453   22.559   2.8453 0.000000 0.000000 
1 1 1    0   36    6 o   73.462   6.0809  660.800  103.823  660.800  103.823  660.800  103.823   73.462   6.0809   73.462   6.0809 -0.000000 0.000000 
1 1 1    0   36    7 o   73.201   6.0551  656.200  103.017  656.200  103.017  656.200  103.017   73.201   6.0551   73.201   6.0551 -0.000000 0.000000 
1 1 1    0   36    8 o   33.076   3.3624  133.800   25.640  133.800   25.640  133.800   25.640   33.076   3.3624   33.076   3.3624 -0.000000 0.000000 
1 1 1    0   36    9 o   19.220   2.7710   46.400   11.817   46.400   11.817   46.400   11.817   19.220   2.7710   19.220   2.7710 -0.000000 0.000000 
1 1 1    0   36   10 o   56.734   4.8634  392.800   64.053  392.800   64.053  392.800   64.053   56.734   4.8634   56.734   4.8634 0.000000 0.000000 
1 1 1    0   36   11 o  116.308   9.5250  1704.40  257.564  1704.40  257.564  1704.40  257.564  116.308   9.5250  116.308   9.5250 0.000000 0.000000 
1 1 1    0   36   12 o   84.203   6.9249  875.800  135.546  875.800  135.546  875.800  135.546   84.203   6.9249   84.203   6.9249 -0.000000 0.000000 
1 1 1    0   36   13 o  122.886   10.155  1923.60  290.057  1923.60  290.057  1923.60  290.057  122.886   10.155  122.886   10.155 0.000000 0.000000 
1 1 1    0   36   14 o   25.024   3.0247   77.500   17.179   77.500   17.179   77.500   17.179   25.024   3.0247   25.024   3.0247 -0.000000 0.000000 
1 1 1    0   36   15 o   65.037   5.5526  520.200   83.844  520.200   83.844  520.200   83.844   65.037   5.5526   65.037   5.5526 -0.000000 0.000000 
1 1 1    0   36   16 o   13.261   3.2665   24.300   8.8564   24.300   8.8564   24.300   8.8564   13.261   3.2665   13.261   3.2665 0.000000 0.000000 
1 1 1    0   36   17 o   15.510   2.9739   31.500   9.7328   31.500   9.7328   31.500   9.7328   15.510   2.9739   15.510   2.9739 0.000000 0.000000 
1 1 1    0   36   18 o   43.180   3.9826  228.600   39.814  228.600   39.814  228.600   39.814   43.180   3.9826   43.180   3.9826 -0.000000 0.000000 
1 1 1    0   36   19 o   38.628   3.7129  183.200   33.148  183.200   33.148  183.200   33.148   38.628   3.7129   38.628   3.7129 0.000000 0.000000 
1 1 1    0   36   20 o   52.553   4.6824  340.900   57.045  340.900   57.045  340.900   57.045   52.553   4.6824   52.553   4.6824 0.000000 0.000000 
1 1 1    0   36   21 f   32.910   3.4424  133.600   26.082  133.600   26.082  133.600   26.082   32.910   3.4424   32.910   3.4424 0.000000 0.000000 
1 1 1    0   36   22 o   32.469   3.4209  130.200   25.562  130.200   25.562  130.200   25.562   32.469   3.4209   32.469   3.4209 0.000000 0.000000 
1 1 1    0   36   23 o   81.979   7.0400  859.000  133.969  859.000  133.969  859.000  133.969   81.979   7.0400   81.979   7.0400 -0.000000 0.000000 
1 1 1    0   36   24 o   31.170   3.3924  120.400   24.220  120.400   24.220  120.400   24.220   31.170   3.3924   31.170   3.3924 -0.000000 0.000000 
1 1 1    0   36   25 o   43.912   4.0896  238.600   41.560  238.600   41.560  238.600   41.560   43.912   4.0896   43.912   4.0896 0.000000 0.000000 
1 1 1    0   36   26 o   21.109   2.8634   56.000   13.533   56.000   13.533   56.000   13.533   21.109   2.8634   21.109   2.8634 -0.000000 0.000000 
1 1 1    0   36   27 o   4.7651   2.6013   3.8000   4.1634   3.8000   4.1634   3.8000   4.1634   4.7651   2.6013   4.7651   2.6013 0.000000 0.000000 
1 1 1    0   36   28 o   43.466   4.0591  234.400   40.828  234.400   40.828  234.400   40.828   43.466   4.0591   43.466   4.0591 0.000000 0.000000 
1 1 1    0   36   29 o   37.662   3.7948  176.400   32.963  176.400   32.963  176.400   32.963   37.662   3.7948   37.662   3.7948 -0.000000 0.000000 
1 1 1    0   36   30 o   43.058   4.0701  231.300   40.534  231.300   40.534  231.300   40.534   43.058   4.0701   43.058   4.0701 -0.000000 0.000000 
1 1 1    0   36   31 o   66.799   5.9149  576.100   91.618  576.100   91.618  576.100   91.618   66.799   5.9149   66.799   5.9149 -0.000000 0.000000 
1 1 1    0   36   32 o   11.232   3.1726   18.300   7.2864   18.300   7.2864   18.300   7.2864   11.232   3.1726   11.232   3.1726 -0.000000 0.000000 
1 1 1    0   36   33 o   11.704   3.3863   20.100   8.1199   20.100   8.1199   20.100   8.1199   11.704   3.3863   11.704   3.3863 0.000000 0.000000 
1 1 1    0   36   34 o   19.199   3.1478   47.900   13.118   47.900   13.118   47.900   13.118   19.199   3.1478   19.199   3.1478 -0.000000 0.000000 
1 1 1    0   36   35 o   3.9688   2.4215   1.7000   4.2902   1.7000   4.2902   1.7000   4.2902   3.9688   2.4215   3.9688   2.4215 0.000000 0.000000 
1 1 1    0   36   36 o   37.016   3.7056  173.200   31.646  173.200   31.646  173.200   31.646   37.016   3.7056   37.016   3.7056 -0.000000 0.000000 
1 1 1    0   36   37 o   17.184   3.1339   39.100   11.465   39.100   11.465   39.100   11.465   17.184   3.1339   17.184   3.1339 -0.000000 0.000000 
1 1 1    0   36   38 o   1.6321   1.1969  -8.0000   3.0177  -8.0000   3.0177  -8.0000   3.0177   1.6321   1.1969   1.6321   1.1969 0.000000 0.000000 
1 1 1    0   36   39 o   9.2590   3.1137   13.400   6.0817   13.400   6.0817   13.400   6.0817   9.2590   3.1137   9.2590   3.1137 0.000000 0.000000 
1 1 1    0   36   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   42 o   11.668   3.3155   20.600   7.9140   20.600   7.9140   20.600   7.9140   11.668   3.3155   11.668   3.3155 0.000000 0.000000 
1 1 1    0   36   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   36   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37    1 o   29.758   3.1481  108.500   21.555  108.500   21.555  108.500   21.555   29.758   3.1481   29.758   3.1481 -0.000000 0.000000 
1 1 1    0   37    2 o   60.194   5.1135  442.300   71.477  442.300   71.477  442.300   71.477   60.194   5.1135   60.194   5.1135 -0.000000 0.000000 
1 1 1    0   37    3 o   60.076   5.1020  440.600   71.177  440.600   71.177  440.600   71.177   60.076   5.1020   60.076   5.1020 -0.000000 0.000000 
1 1 1    0   37    4 o   5.0832   2.5229   4.5000   3.6582   4.5000   3.6582   4.5000   3.6582   5.0832   2.5229   5.0832   2.5229 0.000000 0.000000 
1 1 1    0   37    5 o   67.487   5.6506  557.500   88.595  557.500   88.595  557.500   88.595   67.487   5.6506   67.487   5.6506 0.000000 0.000000 
1 1 1    0   37    6 o   4.8262   2.5261   4.0000   3.7852   4.0000   3.7852   4.0000   3.7852   4.8262   2.5261   4.8262   2.5261 0.000000 0.000000 
1 1 1    0   37    7 o   6.3049   2.8157   6.8000   4.4550   6.8000   4.4550   6.8000   4.4550   6.3049   2.8157   6.3049   2.8157 0.000000 0.000000 
1 1 1    0   37    8 o   66.782   5.5939  546.400   86.790  546.400   86.790  546.400   86.790   66.782   5.5939   66.782   5.5939 0.000000 0.000000 
1 1 1    0   37    9 o   26.286   3.0389   85.200   18.206   85.200   18.206   85.200   18.206   26.286   3.0389   26.286   3.0389 0.000000 0.000000 
1 1 1    0   37   10 o   69.609   5.8282  595.100   94.255  595.100   94.255  595.100   94.255   69.609   5.8282   69.609   5.8282 0.000000 0.000000 
1 1 1    0   37   11 o   37.969   3.6407  176.200   31.952  176.200   31.952  176.200   31.952   37.969   3.6407   37.969   3.6407 -0.000000 0.000000 
1 1 1    0   37   12 o   60.533   5.1606  449.400   72.532  449.400   72.532  449.400   72.532   60.533   5.1606   60.533   5.1606 0.000000 0.000000 
1 1 1    0   37   13 o   46.060   4.1537  259.500   44.333  259.500   44.333  259.500   44.333   46.060   4.1537   46.060   4.1537 -0.000000 0.000000 
1 1 1    0   37   14 o   40.884   3.8276  204.600   36.209  204.600   36.209  204.600   36.209   40.884   3.8276   40.884   3.8276 0.000000 0.000000 
1 1 1    0   37   15 o   65.195   5.5253  524.700   83.656  524.700   83.656  524.700   83.656   65.195   5.5253   65.195   5.5253 0.000000 0.000000 
1 1 1    0   37   16 o   54.179   4.8164  361.500   60.499  361.500   60.499  361.500   60.499   54.179   4.8164   54.179   4.8164 0.000000 0.000000 
1 1 1    0   37   17 o   73.861   6.2562  681.200  107.315  681.200  107.315  681.200  107.315   73.861   6.2562   73.861   6.2562 0.000000 0.000000 
1 1 1    0   37   18 o   2.9175   2.0051  -3.2000   4.5002  -3.2000   4.5002  -3.2000   4.5002   2.9175   2.0051   2.9175   2.0051 0.000000 0.000000 
1 1 1    0   37   19 o   52.592   4.6905  341.800   57.185  341.800   57.185  341.800   57.185   52.592   4.6905   52.592   4.6905 0.000000 0.000000 
1 1 1    0   37   20 o   13.428   3.4531   25.300   9.4639   25.300   9.4639   25.300   9.4639   13.428   3.4531   13.428   3.4531 0.000000 0.000000 
1 1 1    0   37   21 o   13.956   3.4699   27.100   9.8954   27.100   9.8954   27.100   9.8954   13.956   3.4699   13.956   3.4699 -0.000000 0.000000 
1 1 1    0   37   22 o   75.610   6.5146  725.900  114.327  725.900  114.327  725.900  114.327   75.610   6.5146   75.610   6.5146 0.000000 0.000000 
1 1 1    0   37   23 o   13.892   3.5554   27.100   10.083   27.100   10.083   27.100   10.083   13.892   3.5554   13.892   3.5554 0.000000 0.000000 
1 1 1    0   37   24 o   9.8075   3.6315   15.400   7.8039   15.400   7.8039   15.400   7.8039   9.8075   3.6315   9.8075   3.6315 0.000000 0.000000 
1 1 1    0   37   25 f   19.206   3.1722   47.500   13.207   47.500   13.207   47.500   13.207   19.206   3.1722   19.206   3.1722 -0.000000 0.000000 
1 1 1    0   37   26 o   3.5986   2.2382   1.0000   3.8352   1.0000   3.8352   1.0000   3.8352   3.5986   2.2382   3.5986   2.2382 0.000000 0.000000 
1 1 1    0   37   27 o   6.4511   3.0652   7.3000   5.3203   7.3000   5.3203   7.3000   5.3203   6.4511   3.0652   6.4511   3.0652 0.000000 0.000000 
1 1 1    0   37   28 o   22.235   2.9564   62.200   14.755   62.200   14.755   62.200   14.755   22.235   2.9564   22.235   2.9564 0.000000 0.000000 
1 1 1    0   37   29 o   5.6205   2.9547   5.5000   5.1960   5.5000   5.1960   5.5000   5.1960   5.6205   2.9547   5.6205   2.9547 -0.000000 0.000000 
1 1 1    0   37   30 o   82.024   7.3745  902.200  140.182  902.200  140.182  902.200  140.182   82.024   7.3745   82.024   7.3745 0.000000 0.000000 
1 1 1    0   37   31 o   53.444   4.8826  363.400   60.437  363.400   60.437  363.400   60.437   53.444   4.8826   53.444   4.8826 0.000000 0.000000 
1 1 1    0   37   32 o   22.726   3.1841   65.900   16.126   65.900   16.126   65.900   16.126   22.726   3.1841   22.726   3.1841 0.000000 0.000000 
1 1 1    0   37   33 o   27.802   3.1769   97.200   20.152   97.200   20.152   97.200   20.152   27.802   3.1769   27.802   3.1769 0.000000 0.000000 
1 1 1    0   37   34 o   39.667   3.9088  199.200   35.797  199.200   35.797  199.200   35.797   39.667   3.9088   39.667   3.9088 0.000000 0.000000 
1 1 1    0   37   35 o   19.805   3.2251   51.100   13.882   51.100   13.882   51.100   13.882   19.805   3.2251   19.805   3.2251 0.000000 0.000000 
1 1 1    0   37   36 o   27.497   3.2980   96.100   20.599   96.100   20.599   96.100   20.599   27.497   3.2980   27.497   3.2980 -0.000000 0.000000 
1 1 1    0   37   37 o   15.482   3.1889   32.500   10.296   32.500   10.296   32.500   10.296   15.482   3.1889   15.482   3.1889 -0.000000 0.000000 
1 1 1    0   37   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   41 o   7.5439   3.3138   10.300   6.1740   10.300   6.1740   10.300   6.1740   7.5439   3.3138   7.5439   3.3138 -0.000000 0.000000 
1 1 1    0   37   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   37   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38    0 o   40.613   3.8742  200.800   36.378  200.800   36.378  200.800   36.378   40.613   3.8742   40.613   3.8742 0.000000 0.000000 
1 1 1    0   38    1 o   71.414   5.9533  626.300   98.788  626.300   98.788  626.300   98.788   71.414   5.9533   71.414   5.9533 0.000000 0.000000 
1 1 1    0   38    2 o  101.178   8.2840  1278.50  194.867  1278.50  194.867  1278.50  194.867  101.178   8.2840  101.178   8.2840 0.000000 0.000000 
1 1 1    0   38    3 o   75.578   6.2679  702.900  110.091  702.900  110.091  702.900  110.091   75.578   6.2679   75.578   6.2679 0.000000 0.000000 
1 1 1    0   38    4 o   86.243   7.0984  920.800  142.307  920.800  142.307  920.800  142.307   86.243   7.0984   86.243   7.0984 -0.000000 0.000000 
1 1 1    0   38    5 o   78.162   6.4596  753.300  117.351  753.300  117.351  753.300  117.351   78.162   6.4596   78.162   6.4596 -0.000000 0.000000 
1 1 1    0   38    6 o   93.949   7.7186  1100.00  168.577  1100.00  168.577  1100.00  168.577   93.949   7.7186   93.949   7.7186 -0.000000 0.000000 
1 1 1    0   38    7 o   12.665   2.9907   21.900   7.7671   21.900   7.7671   21.900   7.7671   12.665   2.9907   12.665   2.9907 0.000000 0.000000 
1 1 1    0   38    8 o   4.6824   2.5753   3.6000   4.1155   3.6000   4.1155   3.6000   4.1155   4.6824   2.5753   4.6824   2.5753 -0.000000 0.000000 
1 1 1    0   38    9 o   62.456   5.2956  479.100   76.809  479.100   76.809  479.100   76.809   62.456   5.2956   62.456   5.2956 0.000000 0.000000 
1 1 1    0   38   10 o   27.671   3.0802   94.300   19.488   94.300   19.488   94.300   19.488   27.671   3.0802   27.671   3.0802 0.000000 0.000000 
1 1 1    0   38   11 o   15.194   3.0079   30.400   9.5912   30.400   9.5912   30.400   9.5912   15.194   3.0079   15.194   3.0079 0.000000 0.000000 
1 1 1    0   38   12 o   55.942   4.8504  384.600   62.966  384.600   62.966  384.600   62.966   55.942   4.8504   55.942   4.8504 0.000000 0.000000 
1 1 1    0   38   13 o   76.026   6.3612  719.600  112.360  719.600  112.360  719.600  112.360   76.026   6.3612   76.026   6.3612 -0.000000 0.000000 
1 1 1    0   38   14 o   91.381   7.6476  1058.10  162.364  1058.10  162.364  1058.10  162.364   91.381   7.6476   91.381   7.6476 -0.000000 0.000000 
1 1 1    0   38   15 o   8.7749   3.1483   12.100   5.9654   12.100   5.9654   12.100   5.9654   8.7749   3.1483   8.7749   3.1483 -0.000000 0.000000 
1 1 1    0   38   16 f   68.567   5.8186  585.800   92.650  585.800   92.650  585.800   92.650   68.567   5.8186   68.567   5.8186 0.000000 0.000000 
1 1 1    0   38   17 o   23.224   2.9283   67.200   15.365   67.200   15.365   67.200   15.365   23.224   2.9283   23.224   2.9283 -0.000000 0.000000 
1 1 1    0   38   18 o   44.861   4.1505  248.200   43.102  248.200   43.102  248.200   43.102   44.861   4.1505   44.861   4.1505 0.000000 0.000000 
1 1 1    0   38   19 o   3.9928   2.5686   0.1000   5.5557   0.1000   5.5557   0.1000   5.5557   3.9928   2.5686   3.9928   2.5686 0.000000 0.000000 
1 1 1    0   38   20 o   10.765   3.5631   17.700   8.0530   17.700   8.0530   17.700   8.0530   10.765   3.5631   10.765   3.5631 0.000000 0.000000 
1 1 1    0   38   21 o   11.660   3.6264   20.300   8.7487   20.300   8.7487   20.300   8.7487   11.660   3.6264   11.660   3.6264 0.000000 0.000000 
1 1 1    0   38   22 o   33.925   3.5210  142.400   27.510  142.400   27.510  142.400   27.510   33.925   3.5210   33.925   3.5210 0.000000 0.000000 
1 1 1    0   38   23 f   5.3503   3.0037   4.6000   5.7341   4.6000   5.7341   4.6000   5.7341   5.3503   3.0037   5.3503   3.0037 0.000000 0.000000 
1 1 1    0   38   24 o   50.585   4.5965  318.500   53.862  318.500   53.862  318.500   53.862   50.585   4.5965   50.585   4.5965 0.000000 0.000000 
1 1 1    0   38   25 o   51.659   4.6589  332.700   55.768  332.700   55.768  332.700   55.768   51.659   4.6589   51.659   4.6589 0.000000 0.000000 
1 1 1    0   38   26 o   29.685   3.3026  109.600   22.417  109.600   22.417  109.600   22.417   29.685   3.3026   29.685   3.3026 0.000000 0.000000 
1 1 1    0   38   27 o   16.424   2.9591   35.200   10.369   35.200   10.369   35.200   10.369   16.424   2.9591   16.424   2.9591 -0.000000 0.000000 
1 1 1    0   38   28 o   15.285   3.0694   31.100   9.8231   31.100   9.8231   31.100   9.8231   15.285   3.0694   15.285   3.0694 0.000000 0.000000 
1 1 1    0   38   29 o   23.983   3.0529   72.400   16.525   72.400   16.525   72.400   16.525   23.983   3.0529   23.983   3.0529 0.000000 0.000000 
1 1 1    0   38   30 o   29.258   3.2470  107.100   21.727  107.100   21.727  107.100   21.727   29.258   3.2470   29.258   3.2470 0.000000 0.000000 
1 1 1    0   38   31 f   23.507   2.9755   69.700   15.796   69.700   15.796   69.700   15.796   23.507   2.9755   23.507   2.9755 0.000000 0.000000 
1 1 1    0   38   32 o   28.362   3.3027  101.500   21.336  101.500   21.336  101.500   21.336   28.362   3.3027   28.362   3.3027 0.000000 0.000000 
1 1 1    0   38   33 o   21.974   3.1505   61.900   15.373   61.900   15.373   61.900   15.373   21.974   3.1505   21.974   3.1505 0.000000 0.000000 
1 1 1    0   38   34 o   30.872   3.4061  120.400   24.059  120.400   24.059  120.400   24.059   30.872   3.4061   30.872   3.4061 -0.000000 0.000000 
1 1 1    0   38   35 o   2.2625   1.5653  -2.3000   2.8544  -2.3000   2.8544  -2.3000   2.8544   2.2625   1.5653   2.2625   1.5653 0.000000 0.000000 
1 1 1    0   38   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   41 o   13.243   3.2348   25.500   8.7631   25.500   8.7631   25.500   8.7631   13.243   3.2348   13.243   3.2348 0.000000 0.000000 
1 1 1    0   38   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   38   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39    1 o   3.6357   2.1777   1.6000   3.3394   1.6000   3.3394   1.6000   3.3394   3.6357   2.1777   3.6357   2.1777 -0.000000 0.000000 
1 1 1    0   39    2 o   44.319   4.0408  240.200   41.480  240.200   41.480  240.200   41.480   44.319   4.0408   44.319   4.0408 -0.000000 0.000000 
1 1 1    0   39    3 o   5.0954   2.6243   4.5000   4.0377   4.5000   4.0377   4.5000   4.0377   5.0954   2.6243   5.0954   2.6243 0.000000 0.000000 
1 1 1    0   39    4 o   16.650   2.8333   35.600   10.171   35.600   10.171   35.600   10.171   16.650   2.8333   16.650   2.8333 -0.000000 0.000000 
1 1 1    0   39    5 o   31.445   3.2453  121.300   23.509  121.300   23.509  121.300   23.509   31.445   3.2453   31.445   3.2453 -0.000000 0.000000 
1 1 1    0   39    6 o   14.960   2.8743   29.300   9.0700   29.300   9.0700   29.300   9.0700   14.960   2.8743   14.960   2.8743 0.000000 0.000000 
1 1 1    0   39    7 o   68.367   5.7607  577.500   91.481  577.500   91.481  577.500   91.481   68.367   5.7607   68.367   5.7607 0.000000 0.000000 
1 1 1    0   39    8 o   13.352   2.9515   24.000   8.1382   24.000   8.1382   24.000   8.1382   13.352   2.9515   13.352   2.9515 -0.000000 0.000000 
1 1 1    0   39    9 o   29.095   3.1470  104.200   20.981  104.200   20.981  104.200   20.981   29.095   3.1470   29.095   3.1470 0.000000 0.000000 
1 1 1    0   39   10 o   56.144   4.8705  388.100   63.453  388.100   63.453  388.100   63.453   56.144   4.8705   56.144   4.8705 -0.000000 0.000000 
1 1 1    0   39   11 o   36.150   3.5309  160.400   29.481  160.400   29.481  160.400   29.481   36.150   3.5309   36.150   3.5309 0.000000 0.000000 
1 1 1    0   39   12 o   10.229   2.9828   15.200   6.2554   15.200   6.2554   15.200   6.2554   10.229   2.9828   10.229   2.9828 -0.000000 0.000000 
1 1 1    0   39   13 o   63.389   5.4183  498.400   79.740  498.400   79.740  498.400   79.740   63.389   5.4183   63.389   5.4183 -0.000000 0.000000 
1 1 1    0   39   14 o   58.995   5.0955  431.000   69.767  431.000   69.767  431.000   69.767   58.995   5.0955   58.995   5.0955 -0.000000 0.000000 
1 1 1    0   39   15 o   7.1185   3.4382   8.9000   6.7217   8.9000   6.7217   8.9000   6.7217   7.1185   3.4382   7.1185   3.4382 0.000000 0.000000 
1 1 1    0   39   16 o   42.894   3.9589  226.600   39.314  226.600   39.314  226.600   39.314   42.894   3.9589   42.894   3.9589 0.000000 0.000000 
1 1 1    0   39   17 o  ?   ?   -5.4000   0.9333  -5.4000   0.9333  -5.4000   0.9333  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    0   39   18 o   34.788   3.4706  149.200   27.860  149.200   27.860  149.200   27.860   34.788   3.4706   34.788   3.4706 0.000000 0.000000 
1 1 1    0   39   19 o   45.285   4.1352  253.300   43.371  253.300   43.371  253.300   43.371   45.285   4.1352   45.285   4.1352 -0.000000 0.000000 
1 1 1    0   39   20 o   27.600   3.1809   94.600   20.015   94.600   20.015   94.600   20.015   27.600   3.1809   27.600   3.1809 0.000000 0.000000 
1 1 1    0   39   21 o   6.5118   3.4002   7.4000   6.8461   7.4000   6.8461   7.4000   6.8461   6.5118   3.4002   6.5118   3.4002 0.000000 0.000000 
1 1 1    0   39   22 o   49.161   4.4885  300.300   51.107  300.300   51.107  300.300   51.107   49.161   4.4885   49.161   4.4885 -0.000000 0.000000 
1 1 1    0   39   23 o   39.278   3.8353  191.100   34.793  191.100   34.793  191.100   34.793   39.278   3.8353   39.278   3.8353 -0.000000 0.000000 
1 1 1    0   39   24 o   10.937   3.5126   18.100   8.0046   18.100   8.0046   18.100   8.0046   10.937   3.5126   10.937   3.5126 -0.000000 0.000000 
1 1 1    0   39   25 o   5.6048   2.9984   5.4000   5.4279   5.4000   5.4279   5.4000   5.4279   5.6048   2.9984   5.6048   2.9984 -0.000000 0.000000 
1 1 1    0   39   26 o   26.976   3.1946   91.000   19.599   91.000   19.599   91.000   19.599   26.976   3.1946   26.976   3.1946 0.000000 0.000000 
1 1 1    0   39   27 o   25.768   3.2383   83.600   18.860   83.600   18.860   83.600   18.860   25.768   3.2383   25.768   3.2383 -0.000000 0.000000 
1 1 1    0   39   28 o   26.117   3.1440   85.600   18.645   85.600   18.645   85.600   18.645   26.117   3.1440   26.117   3.1440 0.000000 0.000000 
1 1 1    0   39   29 o   26.767   3.2198   90.200   19.571   90.200   19.571   90.200   19.571   26.767   3.2198   26.767   3.2198 -0.000000 0.000000 
1 1 1    0   39   30 o   27.708   3.1967   96.500   20.192   96.500   20.192   96.500   20.192   27.708   3.1967   27.708   3.1967 0.000000 0.000000 
1 1 1    0   39   31 o   7.8331   3.1220   10.200   5.5868   10.200   5.5868   10.200   5.5868   7.8331   3.1220   7.8331   3.1220 0.000000 0.000000 
1 1 1    0   39   32 o   20.112   2.9465   51.800   13.115   51.800   13.115   51.800   13.115   20.112   2.9465   20.112   2.9465 0.000000 0.000000 
1 1 1    0   39   33 o   14.985   2.9638   30.000   9.3225   30.000   9.3225   30.000   9.3225   14.985   2.9638   14.985   2.9638 -0.000000 0.000000 
1 1 1    0   39   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   39   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40    0 o   38.476   3.7429  180.700   33.267  180.700   33.267  180.700   33.267   38.476   3.7429   38.476   3.7429 -0.000000 0.000000 
1 1 1    0   40    1 o   14.360   2.8675   27.200   8.6296   27.200   8.6296   27.200   8.6296   14.360   2.8675   14.360   2.8675 -0.000000 0.000000 
1 1 1    0   40    2 o   37.272   3.6224  170.400   31.190  170.400   31.190  170.400   31.190   37.272   3.6224   37.272   3.6224 -0.000000 0.000000 
1 1 1    0   40    3 o   3.4375   2.0983   1.2000   3.2247   1.2000   3.2247   1.2000   3.2247   3.4375   2.0983   3.4375   2.0983 0.000000 0.000000 
1 1 1    0   40    4 o   57.850   4.9970  412.400   67.090  412.400   67.090  412.400   67.090   57.850   4.9970   57.850   4.9970 0.000000 0.000000 
1 1 1    0   40    5 o   22.050   2.8462   60.600   14.140   60.600   14.140   60.600   14.140   22.050   2.8462   22.050   2.8462 0.000000 0.000000 
1 1 1    0   40    6 o   55.989   4.8680  386.400   63.241  386.400   63.241  386.400   63.241   55.989   4.8680   55.989   4.8680 0.000000 0.000000 
1 1 1    0   40    7 o   34.322   3.4298  144.700   27.160  144.700   27.160  144.700   27.160   34.322   3.4298   34.322   3.4298 -0.000000 0.000000 
1 1 1    0   40    8 o   26.320   3.0381   85.700   18.228   85.700   18.228   85.700   18.228   26.320   3.0381   26.320   3.0381 -0.000000 0.000000 
1 1 1    0   40    9 o   37.969   3.6642  177.100   32.149  177.100   32.149  177.100   32.149   37.969   3.6642   37.969   3.6642 0.000000 0.000000 
1 1 1    0   40   10 o   13.843   3.0375   25.800   8.6915   25.800   8.6915   25.800   8.6915   13.843   3.0375   13.843   3.0375 -0.000000 0.000000 
1 1 1    0   40   11 o   7.6279   3.0696   9.6000   5.3855   9.6000   5.3855   9.6000   5.3855   7.6279   3.0696   7.6279   3.0696 -0.000000 0.000000 
1 1 1    0   40   12 o   49.836   4.4503  306.400   51.411  306.400   51.411  306.400   51.411   49.836   4.4503   49.836   4.4503 -0.000000 0.000000 
1 1 1    0   40   13 o   50.037   4.4683  309.200   51.827  309.200   51.827  309.200   51.827   50.037   4.4683   50.037   4.4683 -0.000000 0.000000 
1 1 1    0   40   14 o   36.011   3.5434  159.700   29.461  159.700   29.461  159.700   29.461   36.011   3.5434   36.011   3.5434 0.000000 0.000000 
1 1 1    0   40   15 o   29.610   3.1872  108.300   21.632  108.300   21.632  108.300   21.632   29.610   3.1872   29.610   3.1872 -0.000000 0.000000 
1 1 1    0   40   16 o   20.229   2.8726   51.600   12.922   51.600   12.922   51.600   12.922   20.229   2.8726   20.229   2.8726 0.000000 0.000000 
1 1 1    0   40   17 o   12.057   3.0062   20.200   7.4055   20.200   7.4055   20.200   7.4055   12.057   3.0062   12.057   3.0062 0.000000 0.000000 
1 1 1    0   40   18 o   13.518   2.9995   24.700   8.3694   24.700   8.3694   24.700   8.3694   13.518   2.9995   13.518   2.9995 -0.000000 0.000000 
1 1 1    0   40   19 o   26.472   3.0289   86.900   18.292   86.900   18.292   86.900   18.292   26.472   3.0289   26.472   3.0289 0.000000 0.000000 
1 1 1    0   40   20 o   40.405   3.8045  201.600   35.559  201.600   35.559  201.600   35.559   40.405   3.8045   40.405   3.8045 -0.000000 0.000000 
1 1 1    0   40   21 o   4.8945   2.6773   4.0000   4.4201   4.0000   4.4201   4.0000   4.4201   4.8945   2.6773   4.8945   2.6773 -0.000000 0.000000 
1 1 1    0   40   22 o   68.339   5.8975  592.300   93.538  592.300   93.538  592.300   93.538   68.339   5.8975   68.339   5.8975 -0.000000 0.000000 
1 1 1    0   40   23 o   27.561   3.2364   94.800   20.302   94.800   20.302   94.800   20.302   27.561   3.2364   27.561   3.2364 0.000000 0.000000 
1 1 1    0   40   24 o   11.967   3.8580   21.800   9.6280   21.800   9.6280   21.800   9.6280   11.967   3.8580   11.967   3.8580 -0.000000 0.000000 
1 1 1    0   40   25 o   49.415   4.5839  307.200   52.430  307.200   52.430  307.200   52.430   49.415   4.5839   49.415   4.5839 0.000000 0.000000 
1 1 1    0   40   26 o   7.4481   3.4970   9.8000   6.9035   9.8000   6.9035   9.8000   6.9035   7.4481   3.4970   7.4481   3.4970 -0.000000 0.000000 
1 1 1    0   40   27 o   49.766   4.6061  313.700   53.063  313.700   53.063  313.700   53.063   49.766   4.6061   49.766   4.6061 0.000000 0.000000 
1 1 1    0   40   28 o   35.156   3.6780  155.400   29.768  155.400   29.768  155.400   29.768   35.156   3.6780   35.156   3.6780 -0.000000 0.000000 
1 1 1    0   40   29 o   6.4911   3.1580   7.5000   5.6852   7.5000   5.6852   7.5000   5.6852   6.4911   3.1580   6.4911   3.1580 0.000000 0.000000 
1 1 1    0   40   30 o   4.0634   2.5514   1.1000   5.1064   1.1000   5.1064   1.1000   5.1064   4.0634   2.5514   4.0634   2.5514 -0.000000 0.000000 
1 1 1    0   40   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   40   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41    1 o   19.755   2.8498   49.200   12.490   49.200   12.490   49.200   12.490   19.755   2.8498   19.755   2.8498 -0.000000 0.000000 
1 1 1    0   41    2 o   9.6411   3.2212   14.200   6.5385   14.200   6.5385   14.200   6.5385   9.6411   3.2212   9.6411   3.2212 -0.000000 0.000000 
1 1 1    0   41    3 o   18.078   2.8378   41.600   11.222   41.600   11.222   41.600   11.222   18.078   2.8378   18.078   2.8378 0.000000 0.000000 
1 1 1    0   41    4 o   11.085   3.2985   18.000   7.5144   18.000   7.5144   18.000   7.5144   11.085   3.2985   11.085   3.2985 0.000000 0.000000 
1 1 1    0   41    5 o   61.938   5.3188  475.800   76.472  475.800   76.472  475.800   76.472   61.938   5.3188   61.938   5.3188 0.000000 0.000000 
1 1 1    0   41    6 o   11.277   3.1272   18.200   7.2031   18.200   7.2031   18.200   7.2031   11.277   3.1272   11.277   3.1272 0.000000 0.000000 
1 1 1    0   41    7 o   16.261   2.8088   34.100   9.8199   34.100   9.8199   34.100   9.8199   16.261   2.8088   16.261   2.8088 0.000000 0.000000 
1 1 1    0   41    8 o   39.507   3.7761  192.100   34.488  192.100   34.488  192.100   34.488   39.507   3.7761   39.507   3.7761 -0.000000 0.000000 
1 1 1    0   41    9 o   44.358   4.0829  242.400   41.934  242.400   41.934  242.400   41.934   44.358   4.0829   44.358   4.0829 -0.000000 0.000000 
1 1 1    0   41   10 o   38.635   3.6921  183.700   32.977  183.700   32.977  183.700   32.977   38.635   3.6921   38.635   3.6921 0.000000 0.000000 
1 1 1    0   41   11 o   30.031   3.2019  111.300   22.056  111.300   22.056  111.300   22.056   30.031   3.2019   30.031   3.2019 0.000000 0.000000 
1 1 1    0   41   12 o   51.187   4.5446  324.100   53.935  324.100   53.935  324.100   53.935   51.187   4.5446   51.187   4.5446 -0.000000 0.000000 
1 1 1    0   41   13 o   10.871   3.0578   17.000   6.7951   17.000   6.7951   17.000   6.7951   10.871   3.0578   10.871   3.0578 -0.000000 0.000000 
1 1 1    0   41   14 o   11.775   3.6633   20.700   8.9257   20.700   8.9257   20.700   8.9257   11.775   3.6633   11.775   3.6633 -0.000000 0.000000 
1 1 1    0   41   15 o   37.508   3.6228  173.400   31.399  173.400   31.399  173.400   31.399   37.508   3.6228   37.508   3.6228 0.000000 0.000000 
1 1 1    0   41   16 o   18.387   2.8212   43.000   11.392   43.000   11.392   43.000   11.392   18.387   2.8212   18.387   2.8212 0.000000 0.000000 
1 1 1    0   41   17 f   5.9920   2.9112   6.3000   4.8286   6.3000   4.8286   6.3000   4.8286   5.9920   2.9112   5.9920   2.9112 -0.000000 0.000000 
1 1 1    0   41   18 o   3.1341   2.0262  -0.1000   3.5157  -0.1000   3.5157  -0.1000   3.5157   3.1341   2.0262   3.1341   2.0262 0.000000 0.000000 
1 1 1    0   41   19 o   16.124   2.8905   33.800   9.9527   33.800   9.9527   33.800   9.9527   16.124   2.8905   16.124   2.8905 0.000000 0.000000 
1 1 1    0   41   20 o  ?   ?   -5.2000   0.8902  -5.2000   0.8902  -5.2000   0.8902  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   41   21 o   37.712   3.6577  176.200   31.869  176.200   31.869  176.200   31.869   37.712   3.6577   37.712   3.6577 0.000000 0.000000 
1 1 1    0   41   22 f   39.212   3.7635  190.900   34.111  190.900   34.111  190.900   34.111   39.212   3.7635   39.212   3.7635 -0.000000 0.000000 
1 1 1    0   41   23 o   25.705   2.9948   82.400   17.534   82.400   17.534   82.400   17.534   25.705   2.9948   25.705   2.9948 -0.000000 0.000000 
1 1 1    0   41   24 f   50.362   4.5674  319.200   53.289  319.200   53.289  319.200   53.289   50.362   4.5674   50.362   4.5674 -0.000000 0.000000 
1 1 1    0   41   25 o   13.052   2.9855   23.300   8.0151   23.300   8.0151   23.300   8.0151   13.052   2.9855   13.052   2.9855 -0.000000 0.000000 
1 1 1    0   41   26 o   15.330   3.3550   32.000   10.634   32.000   10.634   32.000   10.634   15.330   3.3550   15.330   3.3550 0.000000 0.000000 
1 1 1    0   41   27 o   4.6051   2.7243   2.9000   5.1067   2.9000   5.1067   2.9000   5.1067   4.6051   2.7243   4.6051   2.7243 0.000000 0.000000 
1 1 1    0   41   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   41   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   42    0 o   50.259   4.5115  308.700   52.550  308.700   52.550  308.700   52.550   50.259   4.5115   50.259   4.5115 0.000000 0.000000 
1 1 1    0   42    1 o   60.302   5.2277  451.800   73.154  451.800   73.154  451.800   73.154   60.302   5.2277   60.302   5.2277 0.000000 0.000000 
1 1 1    0   42    2 o   34.894   3.4801  149.900   28.021  149.900   28.021  149.900   28.021   34.894   3.4801   34.894   3.4801 -0.000000 0.000000 
1 1 1    0   42    3 o   18.732   2.8303   44.500   11.674   44.500   11.674   44.500   11.674   18.732   2.8303   18.732   2.8303 0.000000 0.000000 
1 1 1    0   42    4 o   22.134   2.9166   61.300   14.508   61.300   14.508   61.300   14.508   22.134   2.9166   22.134   2.9166 0.000000 0.000000 
1 1 1    0   42    5 o   27.083   3.0764   90.800   19.019   90.800   19.019   90.800   19.019   27.083   3.0764   27.083   3.0764 -0.000000 0.000000 
1 1 1    0   42    6 f   54.943   4.8135  374.000   61.348  374.000   61.348  374.000   61.348   54.943   4.8135   54.943   4.8135 -0.000000 0.000000 
1 1 1    0   42    7 o   18.272   2.8429   42.500   11.382   42.500   11.382   42.500   11.382   18.272   2.8429   18.272   2.8429 -0.000000 0.000000 
1 1 1    0   42    8 o   35.025   3.4804  151.100   28.133  151.100   28.133  151.100   28.133   35.025   3.4804   35.025   3.4804 0.000000 0.000000 
1 1 1    0   42    9 o  ?   ?   -7.1000   0.8758  -7.1000   0.8758  -7.1000   0.8758  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   42   10 o   54.510   4.7959  368.500   60.633  368.500   60.633  368.500   60.633   54.510   4.7959   54.510   4.7959 -0.000000 0.000000 
1 1 1    0   42   11 o   20.656   2.8795   53.700   13.264   53.700   13.264   53.700   13.264   20.656   2.8795   20.656   2.8795 0.000000 0.000000 
1 1 1    0   42   12 o   15.534   2.9794   31.700   9.7655   31.700   9.7655   31.700   9.7655   15.534   2.9794   15.534   2.9794 -0.000000 0.000000 
1 1 1    0   42   13 o   3.5592   2.2214   0.9000   3.8108   0.9000   3.8108   0.9000   3.8108   3.5592   2.2214   3.5592   2.2214 -0.000000 0.000000 
1 1 1    0   42   14 o   42.518   3.9582  223.200   38.949  223.200   38.949  223.200   38.949   42.518   3.9582   42.518   3.9582 -0.000000 0.000000 
1 1 1    0   42   15 o   37.167   3.6201  170.500   31.080  170.500   31.080  170.500   31.080   37.167   3.6201   37.167   3.6201 -0.000000 0.000000 
1 1 1    0   42   16 o   22.501   2.8870   63.300   14.647   63.300   14.647   63.300   14.647   22.501   2.8870   22.501   2.8870 -0.000000 0.000000 
1 1 1    0   42   17 o   15.386   2.8334   30.900   9.2652   30.900   9.2652   30.900   9.2652   15.386   2.8334   15.386   2.8334 -0.000000 0.000000 
1 1 1    0   42   18 o   5.4009   2.7727   5.1000   4.4991   5.1000   4.4991   5.1000   4.4991   5.4009   2.7727   5.4009   2.7727 -0.000000 0.000000 
1 1 1    0   42   19 o   8.7852   3.1634   12.200   6.0096   12.200   6.0096   12.200   6.0096   8.7852   3.1634   8.7852   3.1634 -0.000000 0.000000 
1 1 1    0   42   20 o   8.1033   3.1311   10.700   5.6876   10.700   5.6876   10.700   5.6876   8.1033   3.1311   8.1033   3.1311 -0.000000 0.000000 
1 1 1    0   42   21 o   21.089   2.9105   56.200   13.708   56.200   13.708   56.200   13.708   21.089   2.9105   21.089   2.9105 -0.000000 0.000000 
1 1 1    0   42   22 o   8.0586   3.0516   10.500   5.4482   10.500   5.4482   10.500   5.4482   8.0586   3.0516   8.0586   3.0516 0.000000 0.000000 
1 1 1    0   42   23 o   8.7471   3.0732   12.000   5.7569   12.000   5.7569   12.000   5.7569   8.7471   3.0732   8.7471   3.0732 0.000000 0.000000 
1 1 1    0   42   24 o   23.784   2.9574   71.100   15.918   71.100   15.918   71.100   15.918   23.784   2.9574   23.784   2.9574 -0.000000 0.000000 
1 1 1    0   42   25 o   41.708   4.0450  219.200   38.977  219.200   38.977  219.200   38.977   41.708   4.0450   41.708   4.0450 -0.000000 0.000000 
1 1 1    0   42   26 o   9.3712   3.4808   14.200   7.1582   14.200   7.1582   14.200   7.1582   9.3712   3.4808   9.3712   3.4808 0.000000 0.000000 
1 1 1    0   42   27 o   45.833   4.3352  266.700   45.955  266.700   45.955  266.700   45.955   45.833   4.3352   45.833   4.3352 -0.000000 0.000000 
1 1 1    0   42   28 o   10.814   3.5417   18.000   8.0163   18.000   8.0163   18.000   8.0163   10.814   3.5417   10.814   3.5417 -0.000000 0.000000 
1 1 1    0   42   29 o   9.9249   3.5797   15.800   7.6878   15.800   7.6878   15.800   7.6878   9.9249   3.5797   9.9249   3.5797 -0.000000 0.000000 
1 1 1    0   42   30 o   18.968   3.1392   47.000   12.903   47.000   12.903   47.000   12.903   18.968   3.1392   18.968   3.1392 -0.000000 0.000000 
1 1 1    0   42   31 o   3.1724   2.0077   0.5000   3.2324   0.5000   3.2324   0.5000   3.2324   3.1724   2.0077   3.1724   2.0077 -0.000000 0.000000 
1 1 1    0   42   32 o   34.468   3.5891  152.700   28.487  152.700   28.487  152.700   28.487   34.468   3.5891   34.468   3.5891 -0.000000 0.000000 
1 1 1    0   42   33 o   3.1724   2.0766  -0.4000   3.8573  -0.4000   3.8573  -0.4000   3.8573   3.1724   2.0766   3.1724   2.0766 -0.000000 0.000000 
1 1 1    0   42   34 o   17.833   3.0567   42.600   11.736   42.600   11.736   42.600   11.736   17.833   3.0567   17.833   3.0567 -0.000000 0.000000 
1 1 1    0   42   35 o   3.6079   2.2423   1.2000   3.8417   1.2000   3.8417   1.2000   3.8417   3.6079   2.2423   3.6079   2.2423 -0.000000 0.000000 
1 1 1    0   42   36 o  ?   ?   -7.1000   1.1343  -7.1000   1.1343  -7.1000   1.1343  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    0   42   37 f   27.046   3.2297   97.100   19.849   97.100   19.849   97.100   19.849   27.046   3.2297   27.046   3.2297 -0.000000 0.000000 
1 1 1    0   42   38 o   17.494   2.8990   41.300   10.987   41.300   10.987   41.300   10.987   17.494   2.8990   17.494   2.8990 -0.000000 0.000000 
1 1 1    0   43    1 o   11.995   3.1060   20.200   7.6033   20.200   7.6033   20.200   7.6033   11.995   3.1060   11.995   3.1060 -0.000000 0.000000 
1 1 1    0   43    2 o   9.1042   3.3528   13.200   6.6705   13.200   6.6705   13.200   6.6705   9.1042   3.3528   9.1042   3.3528 -0.000000 0.000000 
1 1 1    0   43    3 o   10.965   2.9767   17.100   6.6621   17.100   6.6621   17.100   6.6621   10.965   2.9767   10.965   2.9767 -0.000000 0.000000 
1 1 1    0   43    4 o   4.5710   2.4846   3.5000   3.7828   3.5000   3.7828   3.5000   3.7828   4.5710   2.4846   4.5710   2.4846 -0.000000 0.000000 
1 1 1    0   43    5 o   12.774   2.9300   22.200   7.6968   22.200   7.6968   22.200   7.6968   12.774   2.9300   12.774   2.9300 -0.000000 0.000000 
1 1 1    0   43    6 o   11.100   3.1591   17.800   7.1745   17.800   7.1745   17.800   7.1745   11.100   3.1591   11.100   3.1591 -0.000000 0.000000 
1 1 1    0   43    7 o   55.965   4.9112  389.100   63.753  389.100   63.753  389.100   63.753   55.965   4.9112   55.965   4.9112 -0.000000 0.000000 
1 1 1    0   43    8 o   41.886   3.9187  216.400   37.979  216.400   37.979  216.400   37.979   41.886   3.9187   41.886   3.9187 0.000000 0.000000 
1 1 1    0   43    9 o   3.2789   2.1255  -0.2000   3.9039  -0.2000   3.9039  -0.2000   3.9039   3.2789   2.1255   3.2789   2.1255 0.000000 0.000000 
1 1 1    0   43   10 o   8.8329   3.2968   12.500   6.4054   12.500   6.4054   12.500   6.4054   8.8329   3.2968   8.8329   3.2968 -0.000000 0.000000 
1 1 1    0   43   11 o   34.358   3.4610  145.700   27.427  145.700   27.427  145.700   27.427   34.358   3.4610   34.358   3.4610 0.000000 0.000000 
1 1 1    0   43   12 o   7.6453   3.2558   9.9000   5.9789   9.9000   5.9789   9.9000   5.9789   7.6453   3.2558   7.6453   3.2558 -0.000000 0.000000 
1 1 1    0   43   13 o   43.606   4.0214  235.000   40.599  235.000   40.599  235.000   40.599   43.606   4.0214   43.606   4.0214 0.000000 0.000000 
1 1 1    0   43   14 o   13.012   3.0519   23.200   8.1487   23.200   8.1487   23.200   8.1487   13.012   3.0519   13.012   3.0519 0.000000 0.000000 
1 1 1    0   43   15 o   9.8226   3.0657   14.400   6.2353   14.400   6.2353   14.400   6.2353   9.8226   3.0657   9.8226   3.0657 0.000000 0.000000 
1 1 1    0   43   16 o   36.315   3.5784  163.300   30.001  163.300   30.001  163.300   30.001   36.315   3.5784   36.315   3.5784 -0.000000 0.000000 
1 1 1    0   43   17 o   40.726   3.8753  205.900   36.493  205.900   36.493  205.900   36.493   40.726   3.8753   40.726   3.8753 -0.000000 0.000000 
1 1 1    0   43   18 o   57.686   5.0996  419.900   68.217  419.900   68.217  419.900   68.217   57.686   5.0996   57.686   5.0996 -0.000000 0.000000 
1 1 1    0   43   19 o   4.0667   2.3879   2.3000   3.8717   2.3000   3.8717   2.3000   3.8717   4.0667   2.3879   4.0667   2.3879 -0.000000 0.000000 
1 1 1    0   43   20 o   8.9095   3.1050   12.400   5.9059   12.400   5.9059   12.400   5.9059   8.9095   3.1050   8.9095   3.1050 -0.000000 0.000000 
1 1 1    0   43   21 o   6.5059   2.8844   7.3000   4.6761   7.3000   4.6761   7.3000   4.6761   6.5059   2.8844   6.5059   2.8844 -0.000000 0.000000 
1 1 1    0   43   22 o   14.571   3.3508   29.200   10.038   29.200   10.038   29.200   10.038   14.571   3.3508   14.571   3.3508 -0.000000 0.000000 
1 1 1    0   43   23 o   18.644   3.0107   44.900   12.218   44.900   12.218   44.900   12.218   18.644   3.0107   18.644   3.0107 0.000000 0.000000 
1 1 1    0   43   24 o   20.177   2.9097   51.900   13.026   51.900   13.026   51.900   13.026   20.177   2.9097   20.177   2.9097 0.000000 0.000000 
1 1 1    0   43   25 o   3.7757   2.4053   0.5000   4.7291   0.5000   4.7291   0.5000   4.7291   3.7757   2.4053   3.7757   2.4053 -0.000000 0.000000 
1 1 1    0   43   26 o   41.701   4.0583  220.000   39.093  220.000   39.093  220.000   39.093   41.701   4.0583   41.701   4.0583 0.000000 0.000000 
1 1 1    0   43   27 o   4.9563   2.9663   3.2000   6.1855   3.2000   6.1855   3.2000   6.1855   4.9563   2.9663   4.9563   2.9663 0.000000 0.000000 
1 1 1    0   43   28 o   7.5618   3.6443   10.300   7.5476   10.300   7.5476   10.300   7.5476   7.5618   3.6443   7.5618   3.6443 -0.000000 0.000000 
1 1 1    0   43   29 o   31.878   3.5349  129.400   25.772  129.400   25.772  129.400   25.772   31.878   3.5349   31.878   3.5349 0.000000 0.000000 
1 1 1    0   43   30 o   24.307   3.1434   75.800   17.211   75.800   17.211   75.800   17.211   24.307   3.1434   24.307   3.1434 0.000000 0.000000 
1 1 1    0   43   31 o   5.6707   2.9455   5.8000   5.1170   5.8000   5.1170   5.8000   5.1170   5.6707   2.9455   5.6707   2.9455 -0.000000 0.000000 
1 1 1    0   43   32 o   3.9084   2.4841   0.8000   5.0073   0.8000   5.0073   0.8000   5.0073   3.9084   2.4841   3.9084   2.4841 -0.000000 0.000000 
1 1 1    0   43   33 o   3.4037   2.2931  -2.0000   5.3048  -2.0000   5.3048  -2.0000   5.3048   3.4037   2.2931   3.4037   2.2931 0.000000 0.000000 
1 1 1    0   43   34 o   11.941   3.6475   22.200   8.9858   22.200   8.9858   22.200   8.9858   11.941   3.6475   11.941   3.6475 -0.000000 0.000000 
1 1 1    0   43   35 o   10.399   3.8054   18.300   8.6212   18.300   8.6212   18.300   8.6212   10.399   3.8054   10.399   3.8054 -0.000000 0.000000 
1 1 1    0   43   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   43   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44    0 o   16.698   3.0546   36.200   10.853   36.200   10.853   36.200   10.853   16.698   3.0546   16.698   3.0546 0.000000 0.000000 
1 1 1    0   44    1 f   45.790   4.1839  259.000   44.371  259.000   44.371  259.000   44.371   45.790   4.1839   45.790   4.1839 0.000000 0.000000 
1 1 1    0   44    2 o   22.873   2.9869   65.500   15.372   65.500   15.372   65.500   15.372   22.873   2.9869   22.873   2.9869 0.000000 0.000000 
1 1 1    0   44    3 o   32.449   3.3340  129.900   24.928  129.900   24.928  129.900   24.928   32.449   3.3340   32.449   3.3340 0.000000 0.000000 
1 1 1    0   44    4 o   38.418   3.6949  182.000   32.807  182.000   32.807  182.000   32.807   38.418   3.6949   38.418   3.6949 0.000000 0.000000 
1 1 1    0   44    5 o   15.583   2.9848   31.900   9.8167   31.900   9.8167   31.900   9.8167   15.583   2.9848   15.583   2.9848 0.000000 0.000000 
1 1 1    0   44    6 o   41.468   3.8898  212.200   37.318  212.200   37.318  212.200   37.318   41.468   3.8898   41.468   3.8898 -0.000000 0.000000 
1 1 1    0   44    7 o   20.102   2.8688   51.000   12.814   51.000   12.814   51.000   12.814   20.102   2.8688   20.102   2.8688 0.000000 0.000000 
1 1 1    0   44    8 o   28.255   3.1138   98.800   20.132   98.800   20.132   98.800   20.132   28.255   3.1138   28.255   3.1138 0.000000 0.000000 
1 1 1    0   44    9 o   27.871   3.1315   96.300   19.941   96.300   19.941   96.300   19.941   27.871   3.1315   27.871   3.1315 -0.000000 0.000000 
1 1 1    0   44   10 o   25.969   3.0319   83.800   17.930   83.800   17.930   83.800   17.930   25.969   3.0319   25.969   3.0319 0.000000 0.000000 
1 1 1    0   44   11 o   33.118   3.3811  135.600   25.809  135.600   25.809  135.600   25.809   33.118   3.3811   33.118   3.3811 0.000000 0.000000 
1 1 1    0   44   12 o   27.922   3.1339   96.800   19.994   96.800   19.994   96.800   19.994   27.922   3.1339   27.922   3.1339 -0.000000 0.000000 
1 1 1    0   44   13 o   4.6318   2.5231   3.6000   3.9090   3.6000   3.9090   3.6000   3.9090   4.6318   2.5231   4.6318   2.5231 -0.000000 0.000000 
1 1 1    0   44   14 o   18.104   2.8889   42.000   11.407   42.000   11.407   42.000   11.407   18.104   2.8889   18.104   2.8889 0.000000 0.000000 
1 1 1    0   44   15 o   32.254   3.3517  129.100   24.897  129.100   24.897  129.100   24.897   32.254   3.3517   32.254   3.3517 0.000000 0.000000 
1 1 1    0   44   16 o   15.207   2.9279   30.500   9.3887   30.500   9.3887   30.500   9.3887   15.207   2.9279   15.207   2.9279 0.000000 0.000000 
1 1 1    0   44   17 o   40.209   3.8406  201.300   35.701  201.300   35.701  201.300   35.701   40.209   3.8406   40.209   3.8406 -0.000000 0.000000 
1 1 1    0   44   18 o   7.2239   3.3919   9.2000   6.4948   9.2000   6.4948   9.2000   6.4948   7.2239   3.3919   7.2239   3.3919 0.000000 0.000000 
1 1 1    0   44   19 o   5.4620   2.8752   5.2000   4.9250   5.2000   4.9250   5.2000   4.9250   5.4620   2.8752   5.4620   2.8752 -0.000000 0.000000 
1 1 1    0   44   20 o   3.9860   2.5291   0.7000   5.1658   0.7000   5.1658   0.7000   5.1658   3.9860   2.5291   3.9860   2.5291 0.000000 0.000000 
1 1 1    0   44   21 o   29.359   3.2442  107.900   21.790  107.900   21.790  107.900   21.790   29.359   3.2442   29.359   3.2442 0.000000 0.000000 
1 1 1    0   44   22 o   7.3277   3.5609   9.6000   7.2249   9.6000   7.2249   9.6000   7.2249   7.3277   3.5609   7.3277   3.5609 -0.000000 0.000000 
1 1 1    0   44   23 o   14.373   3.0060   27.800   8.9900   27.800   8.9900   27.800   8.9900   14.373   3.0060   14.373   3.0060 0.000000 0.000000 
1 1 1    0   44   24 o   25.999   3.2319   85.500   19.015   85.500   19.015   85.500   19.015   25.999   3.2319   25.999   3.2319 -0.000000 0.000000 
1 1 1    0   44   25 o   17.985   2.9734   42.000   11.590   42.000   11.590   42.000   11.590   17.985   2.9734   17.985   2.9734 0.000000 0.000000 
1 1 1    0   44   26 o   26.757   3.2752   90.800   19.864   90.800   19.864   90.800   19.864   26.757   3.2752   26.757   3.2752 -0.000000 0.000000 
1 1 1    0   44   27 o   19.004   3.2162   47.400   13.192   47.400   13.192   47.400   13.192   19.004   3.2162   19.004   3.2162 0.000000 0.000000 
1 1 1    0   44   28 f   1.5992   1.1505  -3.7000   2.1312  -3.7000   2.1312  -3.7000   2.1312   1.5992   1.1505   1.5992   1.1505 -0.000000 0.000000 
1 1 1    0   44   29 o   2.8582   1.9201  -1.4000   3.6683  -1.4000   3.6683  -1.4000   3.6683   2.8582   1.9201   2.8582   1.9201 -0.000000 0.000000 
1 1 1    0   44   30 o   6.6012   3.5156   8.0000   7.4303   8.0000   7.4303   8.0000   7.4303   6.6012   3.5156   6.6012   3.5156 0.000000 0.000000 
1 1 1    0   44   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   44   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45    1 o   32.123   3.3229  127.500   24.588  127.500   24.588  127.500   24.588   32.123   3.3229   32.123   3.3229 -0.000000 0.000000 
1 1 1    0   45    2 o   71.244   6.1298  643.300  101.368  643.300  101.368  643.300  101.368   71.244   6.1298   71.244   6.1298 0.000000 0.000000 
1 1 1    0   45    3 o   28.992   3.1726  104.100   21.058  104.100   21.058  104.100   21.058   28.992   3.1726   28.992   3.1726 -0.000000 0.000000 
1 1 1    0   45    4 o   19.303   2.8350   47.200   12.105   47.200   12.105   47.200   12.105   19.303   2.8350   19.303   2.8350 0.000000 0.000000 
1 1 1    0   45    5 o   4.9310   2.6741   4.1000   4.3725   4.1000   4.3725   4.1000   4.3725   4.9310   2.6741   4.9310   2.6741 -0.000000 0.000000 
1 1 1    0   45    6 o   8.8992   3.0816   12.300   5.8402   12.300   5.8402   12.300   5.8402   8.8992   3.0816   8.8992   3.0816 0.000000 0.000000 
1 1 1    0   45    7 o   14.055   2.9371   26.400   8.5904   26.400   8.5904   26.400   8.5904   14.055   2.9371   14.055   2.9371 0.000000 0.000000 
1 1 1    0   45    8 o   6.2283   2.9614   6.8000   4.9669   6.8000   4.9669   6.8000   4.9669   6.2283   2.9614   6.2283   2.9614 -0.000000 0.000000 
1 1 1    0   45    9 o   12.637   3.0216   22.000   7.8224   22.000   7.8224   22.000   7.8224   12.637   3.0216   12.637   3.0216 -0.000000 0.000000 
1 1 1    0   45   10 o   26.013   3.0538   84.300   18.082   84.300   18.082   84.300   18.082   26.013   3.0538   26.013   3.0538 -0.000000 0.000000 
1 1 1    0   45   11 o   21.190   2.8940   56.600   13.716   56.600   13.716   56.600   13.716   21.190   2.8940   21.190   2.8940 -0.000000 0.000000 
1 1 1    0   45   12 o   32.405   3.3751  130.400   25.185  130.400   25.185  130.400   25.185   32.405   3.3751   32.405   3.3751 0.000000 0.000000 
1 1 1    0   45   13 o   14.526   3.5529   29.400   10.557   29.400   10.557   29.400   10.557   14.526   3.5529   14.526   3.5529 0.000000 0.000000 
1 1 1    0   45   14 o   53.134   4.7855  355.500   58.923  355.500   58.923  355.500   58.923   53.134   4.7855   53.134   4.7855 0.000000 0.000000 
1 1 1    0   45   15 o   32.864   3.4478  134.600   26.082  134.600   26.082  134.600   26.082   32.864   3.4478   32.864   3.4478 0.000000 0.000000 
1 1 1    0   45   16 o   6.1681   3.2058   6.7000   6.0641   6.7000   6.0641   6.7000   6.0641   6.1681   3.2058   6.1681   3.2058 -0.000000 0.000000 
1 1 1    0   45   17 o   18.235   3.1371   43.300   12.308   43.300   12.308   43.300   12.308   18.235   3.1371   18.235   3.1371 0.000000 0.000000 
1 1 1    0   45   18 o   32.377   3.3995  131.000   25.334  131.000   25.334  131.000   25.334   32.377   3.3995   32.377   3.3995 -0.000000 0.000000 
1 1 1    0   45   19 o   22.468   3.1146   64.200   15.618   64.200   15.618   64.200   15.618   22.468   3.1146   22.468   3.1146 -0.000000 0.000000 
1 1 1    0   45   20 o   7.4189   3.1646   9.4000   5.6472   9.4000   5.6472   9.4000   5.6472   7.4189   3.1646   7.4189   3.1646 -0.000000 0.000000 
1 1 1    0   45   21 o   42.774   4.1103  230.800   40.636  230.800   40.636  230.800   40.636   42.774   4.1103   42.774   4.1103 -0.000000 0.000000 
1 1 1    0   45   22 o   13.353   3.2096   24.800   8.7769   24.800   8.7769   24.800   8.7769   13.353   3.2096   13.353   3.2096 -0.000000 0.000000 
1 1 1    0   45   23 o   15.036   3.3980   31.100   10.524   31.100   10.524   31.100   10.524   15.036   3.3980   15.036   3.3980 -0.000000 0.000000 
1 1 1    0   45   24 o   23.958   3.1418   73.000   16.927   73.000   16.927   73.000   16.927   23.958   3.1418   23.958   3.1418 -0.000000 0.000000 
1 1 1    0   45   25 f   8.9239   3.7346   13.700   7.8898   13.700   7.8898   13.700   7.8898   8.9239   3.7346   8.9239   3.7346 -0.000000 0.000000 
1 1 1    0   45   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   45   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46    0 o   28.638   3.2111  101.200   21.014  101.200   21.014  101.200   21.014   28.638   3.2111   28.638   3.2111 0.000000 0.000000 
1 1 1    0   46    1 o   60.600   5.3277  463.200   74.884  463.200   74.884  463.200   74.884   60.600   5.3277   60.600   5.3277 -0.000000 0.000000 
1 1 1    0   46    2 o   44.505   4.1284  246.200   42.528  246.200   42.528  246.200   42.528   44.505   4.1284   44.505   4.1284 -0.000000 0.000000 
1 1 1    0   46    3 o   29.617   3.2264  108.900   21.885  108.900   21.885  108.900   21.885   29.617   3.2264   29.617   3.2264 0.000000 0.000000 
1 1 1    0   46    4 f   15.406   3.0243   31.400   9.7926   31.400   9.7926   31.400   9.7926   15.406   3.0243   15.406   3.0243 -0.000000 0.000000 
1 1 1    0   46    5 o   28.097   3.1939   98.300   20.483   98.300   20.483   98.300   20.483   28.097   3.1939   28.097   3.1939 0.000000 0.000000 
1 1 1    0   46    6 o   10.332   3.1879   15.900   6.8056   15.900   6.8056   15.900   6.8056   10.332   3.1879   10.332   3.1879 -0.000000 0.000000 
1 1 1    0   46    7 o   2.4435   1.7519  -7.7000   4.7573  -7.7000   4.7573  -7.7000   4.7573   2.4435   1.7519   2.4435   1.7519 0.000000 0.000000 
1 1 1    0   46    8 f   3.0108   2.0816  -4.0000   5.0270  -4.0000   5.0270  -4.0000   5.0270   3.0108   2.0816   3.0108   2.0816 0.000000 0.000000 
1 1 1    0   46    9 o   48.213   4.4832  291.300   50.026  291.300   50.026  291.300   50.026   48.213   4.4832   48.213   4.4832 -0.000000 0.000000 
1 1 1    0   46   10 o   1.6273   1.2044 -12.9000   3.7240 -12.9000   3.7240 -12.9000   3.7240   1.6273   1.2044   1.6273   1.2044 -0.000000 0.000000 
1 1 1    0   46   11 f   9.2681   3.8750   14.600   8.4954   14.600   8.4954   14.600   8.4954   9.2681   3.8750   9.2681   3.8750 0.000000 0.000000 
1 1 1    0   46   12 o   50.415   4.6147  320.400   53.879  320.400   53.879  320.400   53.879   50.415   4.6147   50.415   4.6147 -0.000000 0.000000 
1 1 1    0   46   13 o   11.654   3.3857   19.900   8.0868   19.900   8.0868   19.900   8.0868   11.654   3.3857   11.654   3.3857 0.000000 0.000000 
1 1 1    0   46   14 o   30.920   3.4680  119.900   24.503  119.900   24.503  119.900   24.503   30.920   3.4680   30.920   3.4680 0.000000 0.000000 
1 1 1    0   46   15 o   9.4058   3.6662   14.600   7.7704   14.600   7.7704   14.600   7.7704   9.4058   3.6662   9.4058   3.6662 -0.000000 0.000000 
1 1 1    0   46   16 o   34.037   3.5782  145.200   28.032  145.200   28.032  145.200   28.032   34.037   3.5782   34.037   3.5782 0.000000 0.000000 
1 1 1    0   46   17 o   37.116   3.7223  172.700   31.871  172.700   31.871  172.700   31.871   37.116   3.7223   37.116   3.7223 0.000000 0.000000 
1 1 1    0   46   18 o   24.400   3.1529   75.300   17.331   75.300   17.331   75.300   17.331   24.400   3.1529   24.400   3.1529 0.000000 0.000000 
1 1 1    0   46   19 o   13.082   3.3466   24.200   8.9367   24.200   8.9367   24.200   8.9367   13.082   3.3466   13.082   3.3466 -0.000000 0.000000 
1 1 1    0   46   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   46   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   47   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   48   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   49   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   50   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   51   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   54   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    0   55    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    1 o   47.175   2.8934  265.762   31.953  265.762   31.953  265.762   31.953   47.175   2.8934   47.175   2.8934 -0.000000 0.000000 
1 1 1    1    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    3 o   68.492   3.8991  559.452   62.595  559.452   62.595  559.452   62.595   68.492   3.8991   68.492   3.8991 0.000000 0.000000 
1 1 1    1    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    5 o   64.856   3.6430  501.473   55.389  501.473   55.389  501.473   55.389   64.856   3.6430   64.856   3.6430 -0.000000 0.000000 
1 1 1    1    0    6 o   99.912   5.4727  1190.10  128.232  1190.10  128.232  1190.10  128.232   99.912   5.4727   99.912   5.4727 -0.000000 0.000000 
1 1 1    1    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0    8 o  150.467   8.1088  2702.76  286.200  2702.76  286.200  2702.76  286.200  150.467   8.1088  150.467   8.1088 -0.000000 0.000000 
1 1 1    1    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   10 o   96.924   5.3290  1120.80  121.124  1120.80  121.124  1120.80  121.124   96.924   5.3290   96.924   5.3290 0.000000 0.000000 
1 1 1    1    0   11 o   30.882   2.1779  114.297   15.701  114.297   15.701  114.297   15.701   30.882   2.1779   30.882   2.1779 0.000000 0.000000 
1 1 1    1    0   12 o   86.887   4.8140  900.197   98.076  900.197   98.076  900.197   98.076   86.887   4.8140   86.887   4.8140 0.000000 0.000000 
1 1 1    1    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   14 o   88.564   4.9004  935.047  101.765  935.047  101.765  935.047  101.765   88.564   4.9004   88.564   4.9004 -0.000000 0.000000 
1 1 1    1    0   15 o  218.059   11.646  5679.05  595.769  5679.05  595.769  5679.05  595.769  218.059   11.646  218.059   11.646 0.000000 0.000000 
1 1 1    1    0   16 o  324.561   25.160 12845.00  1901.66 12845.00  1901.66 12845.00  1901.66  324.561   25.160  324.561   25.160 -0.000000 0.000000 
1 1 1    1    0   17 f  223.546   11.942  5972.30  626.271  5972.30  626.271  5972.30  626.271  223.546   11.942  223.546   11.942 -0.000000 0.000000 
1 1 1    1    0   18 o   74.800   4.1868  667.122   73.422  667.122   73.422  667.122   73.422   74.800   4.1868   74.800   4.1868 -0.000000 0.000000 
1 1 1    1    0   19 o  164.667   8.7202  3236.65  336.902  3236.65  336.902  3236.65  336.902  164.667   8.7202  164.667   8.7202 -0.000000 0.000000 
1 1 1    1    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   21 o  157.097   8.4433  2949.27  311.150  2949.27  311.150  2949.27  311.150  157.097   8.4433  157.097   8.4433 0.000000 0.000000 
1 1 1    1    0   22 o  102.569   5.6108  1255.53  134.965  1255.53  134.965  1255.53  134.965  102.569   5.6108  102.569   5.6108 -0.000000 0.000000 
1 1 1    1    0   23 o   32.136   2.2229  123.715   16.683  123.715   16.683  123.715   16.683   32.136   2.2229   32.136   2.2229 -0.000000 0.000000 
1 1 1    1    0   24 o   30.261   2.1583  109.798   15.242  109.798   15.242  109.798   15.242   30.261   2.1583   30.261   2.1583 0.000000 0.000000 
1 1 1    1    0   25 o   78.204   4.3868  730.000   80.428  730.000   80.428  730.000   80.428   78.204   4.3868   78.204   4.3868 -0.000000 0.000000 
1 1 1    1    0   26 o  101.622   5.5519  1233.42  132.318  1233.42  132.318  1233.42  132.318  101.622   5.5519  101.622   5.5519 0.000000 0.000000 
1 1 1    1    0   27 o  128.989   6.9973  1990.49  211.697  1990.49  211.697  1990.49  211.697  128.989   6.9973  128.989   6.9973 -0.000000 0.000000 
1 1 1    1    0   28 o   58.043   3.3752  402.227   45.903  402.227   45.903  402.227   45.903   58.043   3.3752   58.043   3.3752 -0.000000 0.000000 
1 1 1    1    0   29 o   64.779   3.7067  501.028   56.276  501.028   56.276  501.028   56.276   64.779   3.7067   64.779   3.7067 0.000000 0.000000 
1 1 1    1    0   30 o   24.796   1.9713   73.992   11.374   73.992   11.374   73.992   11.374   24.796   1.9713   24.796   1.9713 0.000000 0.000000 
1 1 1    1    0   31 o   77.306   4.1875  713.521   75.929  713.521   75.929  713.521   75.929   77.306   4.1875   77.306   4.1875 0.000000 0.000000 
1 1 1    1    0   32 o  107.078   5.8515  1373.69  146.946  1373.69  146.946  1373.69  146.946  107.078   5.8515  107.078   5.8515 0.000000 0.000000 
1 1 1    1    0   33 o   19.642   1.8059   46.728   8.2133   46.728   8.2133   46.728   8.2133   19.642   1.8059   19.642   1.8059 -0.000000 0.000000 
1 1 1    1    0   34 o   66.977   3.7979  536.786   59.625  536.786   59.625  536.786   59.625   66.977   3.7979   66.977   3.7979 -0.000000 0.000000 
1 1 1    1    0   35 f   35.768   2.3864  153.346   19.950  153.346   19.950  153.346   19.950   35.768   2.3864   35.768   2.3864 -0.000000 0.000000 
1 1 1    1    0   36 o   96.217   5.2684  1115.06  118.880  1115.06  118.880  1115.06  118.880   96.217   5.2684   96.217   5.2684 -0.000000 0.000000 
1 1 1    1    0   37 o   51.577   3.1199  319.019   37.679  319.019   37.679  319.019   37.679   51.577   3.1199   51.577   3.1199 -0.000000 0.000000 
1 1 1    1    0   38 f  133.288   7.1396  2175.26  223.239  2175.26  223.239  2175.26  223.239  133.288   7.1396  133.288   7.1396 -0.000000 0.000000 
1 1 1    1    0   39 o   23.853   1.9713   68.703   10.929   68.703   10.929   68.703   10.929   23.853   1.9713   23.853   1.9713 -0.000000 0.000000 
1 1 1    1    0   40 o   39.958   2.5822  191.750   24.131  191.750   24.131  191.750   24.131   39.958   2.5822   39.958   2.5822 -0.000000 0.000000 
1 1 1    1    0   41 o   12.033   2.8510   19.800   7.0330   19.800   7.0330   19.800   7.0330   12.033   2.8510   12.033   2.8510 0.000000 0.000000 
1 1 1    1    0   42 o   22.525   1.9539   61.473   10.213   61.473   10.213   61.473   10.213   22.525   1.9539   22.525   1.9539 0.000000 0.000000 
1 1 1    1    0   43 o   7.2696   2.2430   7.8166   3.3692   7.8166   3.3692   7.8166   3.3692   7.2696   2.2430   7.2696   2.2430 -0.000000 0.000000 
1 1 1    1    0   44 o   16.958   1.8565   35.327   7.2076   35.327   7.2076   35.327   7.2076   16.958   1.8565   16.958   1.8565 0.000000 0.000000 
1 1 1    1    0   45 o   43.289   2.7276  226.748   27.628  226.748   27.628  226.748   27.628   43.289   2.7276   43.289   2.7276 -0.000000 0.000000 
1 1 1    1    0   46 o   17.709   1.8388   38.445   7.4993   38.445   7.4993   38.445   7.4993   17.709   1.8388   17.709   1.8388 -0.000000 0.000000 
1 1 1    1    0   47 o   41.189   2.7354  206.059   26.335  206.059   26.335  206.059   26.335   41.189   2.7354   41.189   2.7354 -0.000000 0.000000 
1 1 1    1    0   48 o   24.282   2.0287   71.693   11.445   71.693   11.445   71.693   11.445   24.282   2.0287   24.282   2.0287 0.000000 0.000000 
1 1 1    1    0   49 o   4.1775   2.2026   3.0192   2.8937   3.0192   2.8937   3.0192   2.8937   4.1775   2.2026   4.1775   2.2026 -0.000000 0.000000 
1 1 1    1    0   50 f   26.190   2.0809   83.575   12.682   83.575   12.682   83.575   12.682   26.190   2.0809   26.190   2.0809 -0.000000 0.000000 
1 1 1    1    0   51 o   21.052   1.9180   54.292   9.3526   54.292   9.3526   54.292   9.3526   21.052   1.9180   21.052   1.9180 0.000000 0.000000 
1 1 1    1    0   52 o   1.3459   0.9767  -3.5486   1.7066  -3.5486   1.7066  -3.5486   1.7066   1.3459   0.9767   1.3459   0.9767 0.000000 0.000000 
1 1 1    1    0   53 o   13.887   3.1248   26.700   8.9422   26.700   8.9422   26.700   8.9422   13.887   3.1248   13.887   3.1248 0.000000 0.000000 
1 1 1    1    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    0   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    0 o   90.702   7.1988  990.800  151.950  990.800  151.950  990.800  151.950   90.702   7.1988   90.702   7.1988 -0.000000 0.000000 
1 1 1    1    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    2 o   82.165   4.3526  800.075   84.148  739.700  118.733  861.000  119.274   78.809   6.4364   85.111   5.9725 -6.302292 8.780577 
1 1 1    1    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    6 o  217.363   16.606  5691.60  845.879   0.0000   0.0000  5691.60  845.879  ?   ?   217.363   16.606 0.000000 16.60573 
1 1 1    1    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1    9 o   54.725   3.1934  355.150   41.088  360.400   58.109  349.900   58.104   55.011   4.5131   54.191   4.5836 0.8203430 6.432582 
1 1 1    1    1   10 o  261.284   20.488  8452.90  1253.93  8452.90  1253.93   0.0000   0.0000  261.284   20.488  ?   ?  0.000000 20.48772 
1 1 1    1    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   12 o  158.414   8.3689  2984.87  311.945  3177.40  441.250  2792.50  441.064  162.930   11.544  152.535   12.351 10.39485 16.90591 
1 1 1    1    1   13 o  193.472   10.267  4455.29  467.393  4399.00  660.963  4511.60  661.023  191.427   14.735  193.917   14.542 -2.489182 20.70244 
1 1 1    1    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   15 o  159.553   8.4799  3023.94  318.344  3097.00  450.245  2950.90  450.166  161.006   11.927  157.093   12.232 3.912292 17.08448 
1 1 1    1    1   16 o  120.021   6.4464  1709.10  182.032  1747.70  257.435  1670.50  257.428  121.089   9.0692  118.341   9.2866 2.747597 12.98042 
1 1 1    1    1   17 o   67.932   3.8180  546.995   60.997  561.100   86.278  532.900   86.248   68.677   5.3627   66.904   5.5082 1.773720 7.687613 
1 1 1    1    1   18 o  146.551   7.8225  2552.05  269.728  2545.50  381.455  2558.60  381.450  145.883   11.158  146.265   11.128 -0.3820343 15.75833 
1 1 1    1    1   19 o  173.402   9.2305  3581.20  376.595  3545.80  532.555  3616.60  532.617  171.757   13.233  173.504   13.096 -1.747681 18.61777 
1 1 1    1    1   20 o  247.080   13.088  7331.65  760.895  7720.00  1076.28  6943.60  1075.86  251.592   18.240  238.083   19.303 13.50896 26.55738 
1 1 1    1    1   21 o  308.283   16.622 11562.08  1205.56 11789.00  1705.00 11335.20  1704.84  306.692   23.727  300.322   24.247 6.370300 33.92483 
1 1 1    1    1   22 o  213.473   11.414  5478.53  573.271  5615.70  810.793  5341.40  810.664  214.246   16.145  208.720   16.585 5.525818 23.14552 
1 1 1    1    1   23 o  303.195   16.513 11283.95  1177.81 11285.20  1665.31 11282.70  1666.04  297.102   23.940  297.055   23.955 0.4721069E-01 33.86702 
1 1 1    1    1   24 o  126.620   6.8185  1911.40  203.117  1914.20  287.256  1908.60  287.246  126.089   9.7229  125.899   9.7377 0.1894379 13.76078 
1 1 1    1    1   25 o  162.708   8.7294  3173.49  334.169  3200.20  472.666  3146.80  472.507  162.151   12.439  160.744   12.548 1.407211 17.66867 
1 1 1    1    1   26 o   22.563   1.8489   60.548   9.7647   59.200   13.800   61.900   13.819   22.217   2.6849   22.733   2.6224 -0.5159416 3.753059 
1 1 1    1    1   27 o  194.301   10.407  4558.77  475.776  4375.10  672.706  4742.60  672.992  187.940   15.291  196.094   14.640 -8.153305 21.16883 
1 1 1    1    1   28 o  111.178   6.0213  1473.99  157.489  1409.40  222.712  1538.60  222.734  108.095   8.8016  113.075   8.4018 -4.979080 12.16794 
1 1 1    1    1   29 o   88.507   4.8710  932.454  101.410  924.200  143.447  940.700  143.384   87.740   6.9813   88.539   6.9129 -0.7990875 9.824811 
1 1 1    1    1   30 f  153.056   8.2303  2818.81  296.369  2682.50  419.071  2955.20  419.187  147.690   12.123  155.357   11.508 -7.667618 16.71584 
1 1 1    1    1   31 o  105.169   5.6816  1321.55  140.575  1255.40  198.725  1387.80  198.882  101.799   8.3402  107.196   7.9129 -5.396561 11.49664 
1 1 1    1    1   32 o   42.915   2.6330  218.781   26.553  203.100   37.529  234.500   37.575   41.185   3.9057   44.320   3.6220 -3.135166 5.326660 
1 1 1    1    1   33 o  117.579   6.4404  1666.17  178.135  1716.80  251.877  1615.50  251.966  118.182   9.0954  114.468   9.4049 3.713943 13.08353 
1 1 1    1    1   34 o   24.404   1.9124   70.889   10.933   74.300   15.486   67.500   15.437   24.895   2.6762   23.695   2.8139 1.200611 3.883305 
1 1 1    1    1   35 o   86.693   4.8077  903.914   98.033  917.800  139.074  890.200  138.210   86.549   6.8611   85.199   6.9298 1.350243 9.751810 
1 1 1    1    1   36 o   14.542   1.6594   25.349   5.5964   25.500   7.9428   25.200   7.8865   14.471   2.4091   14.384   2.4070 0.8722019E-01 3.405528 
1 1 1    1    1   37 o   87.262   4.8190  922.565   98.913  989.200  139.974  856.100  139.795   89.337   6.6836   82.747   7.2270 6.589729 9.843750 
1 1 1    1    1   38 o   14.746   1.6356   26.064   5.5991   31.100   7.9474   21.100   7.8896   16.047   2.1515   13.085   2.6443 2.961458 3.409005 
1 1 1    1    1   39 o   92.776   5.1758  1053.88  112.938  1129.30  159.843  978.700  159.595   94.488   7.2186   87.438   7.8119 7.049736 10.63645 
1 1 1    1    1   40 o   79.338   4.4867  766.849   83.711  722.300  118.318  811.500  118.453   75.580   6.6989   80.452   6.2851 -4.871651 9.185732 
1 1 1    1    1   41 o   55.256   3.2864  368.258   42.688  381.900   60.352  354.600   60.387   55.707   4.6299   53.573   4.8253 2.134212 6.687282 
1 1 1    1    1   42 o   72.658   4.1062  646.849   70.163  723.700   99.356  570.400   99.096   75.711   5.5971   66.530   6.3863 9.181107 8.491872 
1 1 1    1    1   43 o   35.284   2.3279  149.630   19.287  172.000   27.318  127.400   27.233   37.592   3.1053   32.123   3.6553 5.468784 4.796261 
1 1 1    1    1   44 o   46.481   2.8826  262.544   31.483  276.000   44.534  249.100   44.513   47.026   4.0499   44.517   4.2876 2.509274 5.897864 
1 1 1    1    1   45 o   13.584   1.6952   22.340   5.3194   22.800   7.6081   21.900   7.4404   13.552   2.4684   13.277   2.4640 0.2753325 3.487731 
1 1 1    1    1   46 o   19.659   1.8109   46.594   8.3120   50.000   11.765   43.200   11.745   20.182   2.5238   18.672   2.7457 1.509945 3.729387 
1 1 1    1    1   47 o   9.9796   1.6752   12.211   3.8078   14.000   5.4456   10.500   5.3264   10.584   2.2483   9.1539   2.4253 1.430197 3.307101 
1 1 1    1    1   48 o   11.322   1.7150   15.670   4.4416   16.600   6.3904   14.800   6.1778   11.499   2.4296   10.840   2.4687 0.6585121 3.463768 
1 1 1    1    1   49 f   26.185   2.0212   83.162   12.401   98.200   17.560   68.200   17.515   28.201   2.6687   23.189   3.2911 5.012402 4.237117 
1 1 1    1    1   50 o   21.277   1.8546   54.987   9.2248   59.900   13.131   50.200   12.962   21.938   2.5845   19.958   2.8296 1.979645 3.832250 
1 1 1    1    1   51 o   7.2782   1.8629   6.6533   3.2152   7.9000   4.3167   5.1000   4.8184   7.9218   2.2191   6.8089   2.4043 1.112890 3.271843 
1 1 1    1    1   52 o   14.598   1.7111   26.105   5.7864   33.700   8.2353   18.700   8.1321   16.444   2.1741   11.942   2.9103 4.501846 3.632722 
1 1 1    1    1   53 f   7.3725   2.3293   6.7000   4.5378   6.7000   4.5378   0.0000   0.0000   7.3725   2.3293  ?   ?  0.000000 2.329271 
1 1 1    1    1   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    7 o  178.092   9.7383  3778.53  407.982  4108.60  576.468  3447.30  577.481  185.040   13.281  169.117   14.604 15.92276 19.74011 
1 1 1    1    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2    9 o  128.641   6.9135  1968.70  209.242  1988.10  295.876  1949.30  295.948  128.789   9.8026  127.499   9.9077 1.290337 13.93746 
1 1 1    1    2   10 o  208.988   10.868  5232.08  534.479  4965.00  754.297  5501.40  757.446  201.895   15.952  212.887   15.167 -10.99252 22.01099 
1 1 1    1    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   13 o  162.622   8.6704  3142.72  331.747  3252.20  469.124  3033.20  469.199  164.937   12.130  159.180   12.585 5.757599 17.47939 
1 1 1    1    2   14 o  308.477   16.250 11397.44  1179.49 12314.80  1669.39 10483.00  1666.73  318.716   22.322  293.222   24.290 25.49335 32.98960 
1 1 1    1    2   15 o  353.708   27.430 15360.60  2273.11 15360.60  2273.11   0.0000   0.0000  353.708   27.430  ?   ?  0.000000 27.42983 
1 1 1    1    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   17 o  104.061   5.6335  1284.40  137.915  1283.60  195.055  1285.20  195.026  103.784   8.0214  103.850   8.0149 -0.6587982E-01 11.33940 
1 1 1    1    2   18 o   78.415   4.3024  728.970   79.362  769.100  112.277  688.900  112.192   80.406   5.9558   76.036   6.3055 4.369293 8.673569 
1 1 1    1    2   19 o  304.189   16.145 11157.48  1155.57 11858.90  1634.48 10456.50  1633.96  310.678   22.430  290.809   24.009 19.86838 32.85649 
1 1 1    1    2   20 o  376.991   20.265 17414.58  1797.39 18852.90  2542.75 15978.20  2541.04  385.948   28.093  352.791   30.811 33.15717 41.69623 
1 1 1    1    2   21 o   77.918   4.3343  720.408   79.432  700.200  112.357  740.600  112.311   76.604   6.2662   78.820   6.0813 -2.215958 8.731989 
1 1 1    1    2   22 f  274.783   14.811  9174.23  957.489  8994.40  1354.03  9354.10  1354.16  267.879   21.589  273.539   21.128 -5.660278 30.20745 
1 1 1    1    2   23 o  110.530   5.9728  1453.59  155.311  1441.70  219.563  1465.50  219.723  109.635   8.5486  110.554   8.4813 -0.9194946 12.04202 
1 1 1    1    2   24 o   98.910   5.3020  1163.23  123.384  1092.60  174.404  1234.00  174.579   95.454   7.8058  101.568   7.3282 -6.114594 10.70669 
1 1 1    1    2   25 o  244.177   13.164  7259.29  756.245  7119.60  1068.90  7399.30  1070.08  237.823   19.197  242.767   18.814 -4.943359 26.87905 
1 1 1    1    2   26 o  115.345   6.0149  1585.06  163.261  1416.50  230.719  1754.10  231.053  108.380   9.0993  120.921   8.1392 -12.54088 12.20838 
1 1 1    1    2   27 o   30.101   2.1190  107.599   14.966  106.700   21.149  108.500   21.181   29.883   3.0395   30.139   3.0166 -0.2564621 4.282346 
1 1 1    1    2   28 o  134.773   7.2220  2172.65  229.004  2114.90  323.719  2230.50  324.002  132.030   10.469  135.706   10.185 -3.675705 14.60610 
1 1 1    1    2   29 o  185.335   10.031  4156.22  437.348  4210.40  618.369  4102.00  618.638  184.260   14.325  181.730   14.538 2.529694 20.40933 
1 1 1    1    2   30 o   39.066   2.4523  181.158   22.507  155.900   31.803  206.500   31.856   36.078   3.7897   41.640   3.2660 -5.561668 5.002853 
1 1 1    1    2   31 o  114.250   6.2084  1562.55  166.864  1571.40  236.050  1553.70  235.913  113.779   8.8555  113.115   8.9042 0.6635590 12.55805 
1 1 1    1    2   32 o  116.802   6.2943  1637.64  172.963  1503.10  244.504  1772.40  244.708  110.753   9.4391  120.669   8.6453 -9.915787 12.79991 
1 1 1    1    2   33 o   46.054   2.7989  252.192   30.294  244.400   42.821  260.000   42.863   45.157   4.0591   46.608   3.9313 -1.450665 5.650793 
1 1 1    1    2   34 o  101.197   5.5327  1232.95  131.712  1280.10  186.376  1185.90  186.161  102.170   7.7837   98.166   8.1034 4.004036 11.23611 
1 1 1    1    2   35 o   35.575   2.3556  150.647   19.677  151.700   27.864  149.600   27.790   35.553   3.3588   35.301   3.3750 0.2521400 4.761526 
1 1 1    1    2   36 o   25.767   1.9750   79.102   11.925   78.300   16.891   79.900   16.839   25.511   2.8529   25.780   2.8117 -0.2691326 4.005584 
1 1 1    1    2   37 f   64.296   3.6997  496.399   55.934  501.200   79.109  491.600   79.098   64.061   5.2765   63.419   5.3312 0.6422691 7.500909 
1 1 1    1    2   38 o   28.401   2.0806   96.209   13.856   91.300   19.613  101.100   19.579   27.495   3.0734   28.983   2.8996 -1.488455 4.225389 
1 1 1    1    2   39 o   19.410   1.7567   45.020   7.9645   47.800   11.327   42.300   11.202   19.896   2.4636   18.670   2.6123 1.225382 3.590722 
1 1 1    1    2   40 o   56.135   3.2129  378.754   42.412  338.200   59.872  419.600   60.088   52.419   4.8935   58.664   4.3689 -6.244637 6.560051 
1 1 1    1    2   41 o   63.167   3.6700  483.332   54.506  473.000   77.015  493.700   77.150   61.625   5.3454   63.036   5.2303 -1.411182 7.478635 
1 1 1    1    2   42 o   24.502   1.9013   71.834   10.915   66.300   15.279   77.600   15.597   23.341   2.8300   25.321   2.6476 -1.979931 3.875421 
1 1 1    1    2   43 o   26.814   2.0264   86.250   12.736   95.300   18.011   77.200   18.011   28.012   2.7587   25.087   3.1069 2.925409 4.154883 
1 1 1    1    2   44 f   16.739   1.7331   33.737   6.7512   39.100   9.5592   28.400   9.5363   17.909   2.3146   15.107   2.7755 2.801512 3.613969 
1 1 1    1    2   45 o   35.875   2.4020  155.744   20.231  161.300   28.626  150.200   28.596   36.082   3.3998   34.743   3.5348 1.339172 4.904439 
1 1 1    1    2   46 o   15.763   1.7241   30.021   6.3128   36.600   8.9472   23.500   8.9081   17.300   2.2430   13.652   2.8550 3.647702 3.630714 
1 1 1    1    2   47 o   25.540   1.9713   78.730   11.797   87.100   16.754   70.500   16.613   26.626   2.7021   23.809   3.0231 2.816450 4.054688 
1 1 1    1    2   48 o   18.764   1.7897   42.542   7.8335   43.400   11.132   41.700   11.026   18.729   2.5860   18.341   2.6202 0.3878784 3.681409 
1 1 1    1    2   49 o   36.548   2.4462  163.392   20.989  176.700   29.749  150.200   29.618   37.421   3.4038   34.269   3.7199 3.152264 5.042123 
1 1 1    1    2   50 o   13.671   1.7489   22.835   5.5165   19.300   7.8411   26.300   7.7625   12.267   2.7722   14.510   2.3455 -2.243198 3.631340 
1 1 1    1    2   51 o   18.693   1.7696   42.553   7.7182   51.900   11.003   33.500   10.829   20.450   2.3197   16.126   2.9527 4.324440 3.754895 
1 1 1    1    2   52 o   6.6891   1.8193   5.6096   2.9497   3.5000   4.3535   7.4000   4.0106   6.0341   2.2614   7.6544   2.1371 -1.620268 3.111478 
1 1 1    1    2   53 o   12.261   2.5582   19.400   7.1674   19.400   7.1674   0.0000   0.0000   12.261   2.5582  ?   ?  0.000000 2.558220 
1 1 1    1    2   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    0 o  160.021   12.367  3088.50  460.900  3088.50  460.900  3088.50  460.900  160.021   12.367  160.021   12.367 0.000000 0.000000 
1 1 1    1    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    2 o   98.812   7.6662  1163.10  177.475  1163.10  177.475   0.0000   0.0000   98.812   7.6662  ?   ?  0.000000 7.666226 
1 1 1    1    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3    7 o  204.621   10.907  4998.11  525.099  4870.70  742.187  5125.80  743.018  200.792   15.780  206.129   15.376 -5.337845 22.03254 
1 1 1    1    3    8 o  178.492   9.5225  3801.89  399.907  3794.40  565.289  3809.40  565.819  177.345   13.602  177.701   13.587 -0.3557587 19.22586 
1 1 1    1    3    9 o   67.118   3.7490  534.300   59.181  511.400   83.604  557.300   83.785   65.489   5.4559   68.410   5.2262 -2.920921 7.555173 
1 1 1    1    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   11 o   49.655   2.9501  292.344   34.436  299.400   48.719  285.300   48.680   50.152   4.1512   48.938   4.2549 1.213963 5.944505 
1 1 1    1    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   14 o  318.037   24.496 12325.30  1825.46   0.0000   0.0000 12325.30  1825.46  ?   ?   318.037   24.496 0.000000 24.49556 
1 1 1    1    3   15 o  253.431   13.385  7666.68  798.160  7311.10  1128.58  8022.50  1128.96  245.933   19.596  257.962   18.660 -12.02930 27.05900 
1 1 1    1    3   16 o  342.613   26.574 14416.90  2133.09 14416.90  2133.09   0.0000   0.0000  342.613   26.574  ?   ?  0.000000 26.57387 
1 1 1    1    3   17 o  251.412   13.314  7554.46  787.576  7817.40  1114.00  7291.70  1113.61  254.291   18.683  245.328   19.381 8.963684 26.91961 
1 1 1    1    3   18 o  172.374   9.1586  3535.77  371.449  3448.60  525.225  3623.00  525.392  169.509   13.226  173.835   12.891 -4.325974 18.46936 
1 1 1    1    3   19 o  348.439   18.093 14715.38  1483.51 13534.00  2093.93 15906.00  2102.10  328.807   27.213  358.155   25.012 -29.34753 36.96189 
1 1 1    1    3   20 o  358.976   18.971 15734.28  1602.40 16854.00  2267.92 14618.10  2264.34  366.001   26.419  339.007   28.552 26.99438 38.89932 
1 1 1    1    3   21 o   63.745   3.5643  481.892   53.436  520.600   75.627  443.300   75.514   66.142   4.8765   60.958   5.2988 5.184772 7.201251 
1 1 1    1    3   22 o  176.151   9.2948  3712.30  385.255  3410.30  544.656  4014.70  545.009  167.446   13.900  182.174   12.750 -14.72755 18.86212 
1 1 1    1    3   23 o  226.302   12.169  6186.40  647.918  6160.00  916.310  6212.80  916.279  223.144   17.531  224.152   17.449 -1.007538 24.73426 
1 1 1    1    3   24 o  278.762   15.166  9519.78  994.554  9502.10  1405.80  9537.50  1407.23  273.167   21.980  273.696   21.959 -0.5288696 31.06915 
1 1 1    1    3   25 o  127.674   6.4560  1942.70  194.005  1656.80  273.958  2230.30  274.771  117.088   10.005  136.353   8.5775 -19.26591 13.17827 
1 1 1    1    3   26 o   26.455   2.0153   83.169   12.495   78.300   17.705   88.000   17.636   25.558   2.9901   27.139   2.7917 -1.580795 4.090730 
1 1 1    1    3   27 o   57.164   3.3168  387.899   44.579  390.300   63.053  385.500   63.035   57.186   4.7113   56.827   4.7407 0.3587418 6.683624 
1 1 1    1    3   28 o  179.009   9.6175  3863.40  405.048  3716.40  572.728  4010.50  572.922  173.517   14.100  180.594   13.533 -7.076675 19.54369 
1 1 1    1    3   29 o  185.413   10.027  4160.01  437.386  3989.90  618.573  4330.10  618.541  179.064   14.761  186.989   14.112 -7.924149 20.42154 
1 1 1    1    3   30 o   50.517   2.9927  303.031   35.541  290.900   50.222  315.200   50.302   49.332   4.3561   51.389   4.1815 -2.057804 6.038234 
1 1 1    1    3   31 o   39.368   2.4832  184.036   22.966  164.800   32.467  203.300   32.490   37.097   3.7582   41.293   3.3613 -4.195812 5.042037 
1 1 1    1    3   32 o   47.262   2.8300  265.423   31.439  291.700   44.484  239.200   44.438   49.428   3.8414   44.666   4.2651 4.762127 5.739957 
1 1 1    1    3   33 o   93.695   5.1758  1051.86  114.070  1038.10  161.389  1065.60  161.250   92.356   7.4641   93.619   7.3533 -1.263046 10.47776 
1 1 1    1    3   34 o   30.726   2.1551  112.300   15.537  112.100   21.989  112.500   21.958   30.578   3.0875   30.635   3.0769 -0.5694580E-01 4.358920 
1 1 1    1    3   35 o   34.848   2.3493  144.576   19.219  131.800   27.207  157.300   27.153   33.084   3.5375   36.232   3.2068 -3.148285 4.774628 
1 1 1    1    3   36 o   15.846   1.6809   30.050   6.1937   32.200   8.7592   27.900   8.7592   16.313   2.3410   15.128   2.5421 1.184465 3.455784 
1 1 1    1    3   37 o   67.694   3.8405  550.858   61.139  526.100   86.390  575.700   86.536   65.481   5.6422   68.631   5.3829 -3.150017 7.798055 
1 1 1    1    3   38 o  134.495   7.6558  2284.90  242.136  2269.20  342.403  2300.60  342.461  129.158   11.342  130.188   11.250 -1.029633 15.97508 
1 1 1    1    3   39 o   67.155   3.8531  544.341   60.845  537.500   85.989  551.200   86.107   65.956   5.5733   66.832   5.5053 -0.8758621 7.833903 
1 1 1    1    3   40 o   18.736   1.7669   41.999   7.7247   41.900   10.883   42.100   10.966   18.583   2.5473   18.625   2.5611 -0.4255867E-01 3.612196 
1 1 1    1    3   41 o   28.676   2.0613   98.282   13.865  109.500   19.623   87.100   19.592   30.131   2.7897   26.758   3.1618 3.373371 4.216552 
1 1 1    1    3   42 o   33.812   2.3119  137.114   18.348  145.300   25.927  128.900   25.970   34.568   3.2130   32.472   3.4392 2.095978 4.706530 
1 1 1    1    3   43 o   46.196   2.8007  257.938   30.407  283.000   43.055  233.000   42.948   47.921   3.8370   43.243   4.2614 4.678097 5.734271 
1 1 1    1    3   44 o   25.129   1.9762   75.911   11.632   78.500   16.416   73.300   16.485   25.338   2.7898   24.436   2.9144 0.9016781 4.034453 
1 1 1    1    3   45 o   11.266   1.6419   15.440   4.2396   23.500   6.0182   7.5000   5.9734   13.898   1.8823   8.0598   2.6823 5.837826 3.276881 
1 1 1    1    3   46 o   31.201   2.1317  117.520   15.611  136.600   22.184   98.800   21.973   33.375   2.8419   28.126   3.3759 5.248661 4.412843 
1 1 1    1    3   47 o   10.416   1.7053   13.294   4.0493   16.900   5.8152   9.9000   5.6419   11.665   2.1916   8.9209   2.5504 2.744146 3.362657 
1 1 1    1    3   48 o   6.3561   1.7625   4.9823   2.7376   0.3000   3.8850   9.6000   3.8581   4.7636   2.0117   8.7788   1.9150 -4.015268 2.777464 
1 1 1    1    3   49 o   15.879   1.7210   30.581   6.3499   33.000   9.0161   28.200   8.9445   16.305   2.4148   14.983   2.6236 1.321533 3.565753 
1 1 1    1    3   50 o   15.269   1.7160   28.375   6.0800   36.900   8.6111   19.900   8.5857   17.303   2.1541   12.406   2.9702 4.897786 3.669116 
1 1 1    1    3   51 o   15.029   1.7049   27.570   5.9435   32.700   8.5169   22.700   8.2981   16.188   2.2922   13.286   2.7361 2.901501 3.569331 
1 1 1    1    3   52 o   19.525   1.8525   46.699   8.4387   47.100   11.946   46.300   11.922   19.232   2.7054   19.054   2.7275 0.1775875 3.841620 
1 1 1    1    3   53 o   6.6312   2.3033   5.0000   4.4114   5.0000   4.4114   0.0000   0.0000   6.6312   2.3033  ?   ?  0.000000 2.303288 
1 1 1    1    3   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    0 o   97.517   7.7069  1145.30  174.920  1145.30  174.920  1145.30  174.920   97.517   7.7069   97.517   7.7069 -0.000000 0.000000 
1 1 1    1    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    2 o  130.158   9.9642  2021.80  303.923  2021.80  303.923   0.0000   0.0000  130.158   9.9642  ?   ?  0.000000 9.964182 
1 1 1    1    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4    5 o  128.009   6.8645  1945.39  206.740  1845.30  292.353  2045.50  292.397  124.262   10.049  130.946   9.5214 -6.684563 13.84369 
1 1 1    1    4    6 o   41.548   2.6077  204.707   25.454  193.000   36.008  216.400   35.987   40.229   3.8370   42.642   3.6078 -2.412441 5.266798 
1 1 1    1    4    7 o  191.147   10.196  4361.05  458.530  4361.90  648.560  4360.20  648.360  190.107   14.558  190.070   14.556 0.3675842E-01 20.58700 
1 1 1    1    4    8 o   93.076   5.0853  1028.44  111.345  1091.10  157.475  965.800  157.456   95.649   7.0212   89.893   7.4858 5.755959 10.26327 
1 1 1    1    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   10 o  159.850   8.6565  3046.25  325.535  3358.90  460.229  2733.20  460.522  167.225   11.729  150.433   13.095 16.79228 17.57977 
1 1 1    1    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   13 o  333.700   25.776 13616.60  2015.39 13616.60  2015.39   0.0000   0.0000  333.700   25.776  ?   ?  0.000000 25.77623 
1 1 1    1    4   14 o  110.842   5.9837  1457.10  156.035  1429.20  220.681  1485.00  220.651  109.507   8.6034  111.658   8.4308 -2.150871 12.04563 
1 1 1    1    4   15 o  183.790   9.6966  4016.79  419.338  4236.30  593.185  3797.50  592.882  188.159   13.439  177.947   14.229 10.21147 19.57200 
1 1 1    1    4   16 o   50.375   2.9855  300.794   35.354  291.900   49.983  309.700   50.014   49.511   4.3184   51.022   4.1882 -1.510811 6.015750 
1 1 1    1    4   17 o  383.496   20.605 17817.34  1859.10 17761.50  2625.38 17873.50  2632.98  377.819   29.666  379.022   29.655 -1.203247 41.94588 
1 1 1    1    4   18 o  200.088   10.634  4773.73  500.622  4654.30  707.942  4893.20  708.031  196.512   15.379  201.624   14.978 -5.112457 21.46757 
1 1 1    1    4   19 o   51.141   3.0240  310.095   36.356  315.600   51.439  304.600   51.391   51.489   4.2692   50.570   4.3458 0.9192085 6.092024 
1 1 1    1    4   20 o   85.096   4.6847  859.252   93.772  847.800  132.627  870.700  132.601   84.302   6.7182   85.452   6.6232 -1.150124 9.434046 
1 1 1    1    4   21 o  101.469   5.4532  1222.99  130.181  1309.20  184.166  1136.90  184.040  104.723   7.4970   97.461   8.0695 7.261909 11.01464 
1 1 1    1    4   22 o   67.750   3.8238  544.650   60.924  543.700   86.167  545.600   86.152   67.517   5.4512   67.637   5.4401 -0.1200485 7.701297 
1 1 1    1    4   23 f  128.391   6.9157  1964.81  208.895  1914.40  295.437  2015.20  295.408  126.078   10.006  129.440   9.7361 -3.361824 13.96080 
1 1 1    1    4   24 f  166.510   8.6110  3319.51  337.418  3000.40  476.667  3640.00  477.698  156.888   12.983  173.376   11.737 -16.48799 17.50221 
1 1 1    1    4   25 o  239.676   13.046  6994.54  735.578  7251.70  1039.98  6737.10  1040.55  240.474   18.455  231.163   19.237 9.311264 26.65842 
1 1 1    1    4   26 o   11.042   1.6173   14.708   4.0919   14.100   5.8272   15.300   5.7474   10.713   2.3665   11.178   2.2552 -0.4648590 3.268968 
1 1 1    1    4   27 o   16.160   1.6234   31.161   6.1113   35.600   8.6816   26.800   8.6042   17.219   2.1842   14.849   2.5455 2.370561 3.354184 
1 1 1    1    4   28 o  189.943   10.217  4360.80  456.586  4157.00  645.626  4564.70  645.795  182.970   15.077  192.231   14.330 -9.261002 20.80069 
1 1 1    1    4   29 o  116.107   6.2202  1609.77  169.919  1478.30  240.227  1741.40  240.378  110.476   9.2949  120.195   8.5245 -9.719269 12.61204 
1 1 1    1    4   30 o   90.165   4.9224  968.565  104.407  892.400  147.620  1044.80  147.688   86.056   7.3345   93.299   6.7491 -7.243103 9.967196 
1 1 1    1    4   31 o  115.914   6.2982  1609.59  171.744  1630.20  242.934  1589.00  242.831  115.815   8.9526  114.291   9.0723 1.524132 12.74580 
1 1 1    1    4   32 o   60.204   3.4213  431.158   48.438  389.300   68.467  473.100   68.537   56.919   5.1498   62.884   4.6485 -5.964882 6.937525 
1 1 1    1    4   33 o   77.484   4.3354  717.101   79.005  715.900  111.788  718.300  111.672   76.959   6.2041   77.093   6.1864 -0.1343994 8.761458 
1 1 1    1    4   34 o   13.713   1.6469   22.557   5.2263   20.500   7.4043   24.600   7.3779   12.934   2.5149   14.238   2.2707 -1.304387 3.388341 
1 1 1    1    4   35 o   30.824   2.1655  113.104   15.662  109.700   22.162  116.500   22.136   30.214   3.1528   31.163   3.0471 -0.9491825 4.384562 
1 1 1    1    4   36 o   19.155   1.7649   43.803   7.8932   43.200   11.191   44.400   11.135   18.904   2.5739   19.178   2.5197 -0.2744045 3.601923 
1 1 1    1    4   37 o   37.097   2.4159  164.143   21.048  159.100   29.746  169.200   29.786   36.315   3.5126   37.484   3.4022 -1.168884 4.890135 
1 1 1    1    4   38 o   70.784   4.0482  604.607   67.383  608.500   95.205  600.700   95.384   70.230   5.7925   69.749   5.8452 0.4814453 8.229169 
1 1 1    1    4   39 o   18.741   1.7582   42.000   7.6898   42.200   10.871   41.800   10.879   18.661   2.5324   18.568   2.5484 0.9291840E-01 3.592698 
1 1 1    1    4   40 o   76.735   4.3611  716.881   78.696  701.800  111.225  732.000  111.361   74.665   6.3693   76.365   6.2298 -1.700188 8.909487 
1 1 1    1    4   41 o   38.556   2.4902  178.098   22.551  181.600   31.898  174.600   31.885   38.655   3.5337   37.874   3.6088 0.7815361 5.050793 
1 1 1    1    4   42 o   48.065   2.9310  278.740   33.107  299.600   46.832  257.900   46.809   49.366   4.0533   45.618   4.4000 3.748119 5.982395 
1 1 1    1    4   43 o   16.857   1.7348   34.163   6.8067   30.100   9.6411   38.200   9.6113   15.603   2.7153   17.710   2.3568 -2.106481 3.595509 
1 1 1    1    4   44 o   21.653   1.8319   56.326   9.2787   61.600   13.152   51.100   13.092   22.487   2.5203   20.381   2.7939 2.105865 3.762645 
1 1 1    1    4   45 o   20.773   1.8276   51.953   8.8740   51.300   12.576   52.600   12.524   20.421   2.6720   20.698   2.6211 -0.2765560 3.743009 
1 1 1    1    4   46 o   9.3718   1.6622   10.787   3.5437   11.200   5.0937   10.400   4.9333   9.4559   2.3027   9.1156   2.2937 0.3403482 3.250154 
1 1 1    1    4   47 o   10.299   1.6737   12.987   3.9306   11.200   5.4663   14.900   5.6559   9.4445   2.4353   10.922   2.2673 -1.477205 3.327353 
1 1 1    1    4   48 o   25.013   1.9782   75.635   11.589   80.400   16.414   70.900   16.363   25.517   2.7685   23.868   2.9673 1.649292 4.058280 
1 1 1    1    4   49 o   27.589   2.0587   92.422   13.315  103.600   18.897   81.400   18.764   28.888   2.8056   25.389   3.2010 3.498690 4.256504 
1 1 1    1    4   50 o   20.640   1.8524   51.792   8.9324   53.900   12.658   49.700   12.607   20.762   2.6417   19.875   2.7608 0.8871536 3.821083 
1 1 1    1    4   51 o   20.683   1.8092   52.118   8.7470   63.200   12.446   41.300   12.296   22.554   2.3724   17.902   3.0160 4.651583 3.837244 
1 1 1    1    4   52 o   16.843   1.7892   34.761   7.0072   33.400   9.9498   36.100   9.8699   16.143   2.7059   16.862   2.5591 -0.7195129 3.724421 
1 1 1    1    4   53 o   5.5263   2.0728   2.9000   3.6589   2.9000   3.6589   0.0000   0.0000   5.5263   2.0728  ?   ?  0.000000 2.072761 
1 1 1    1    4   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    4   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5    0 o   35.020   3.4016  148.900   27.520  148.900   27.520  148.900   27.520   35.020   3.4016   35.020   3.4016 0.000000 0.000000 
1 1 1    1    5    1 o  212.665   10.016  5366.72  503.001  4358.50  708.849  6389.30  713.881  190.284   15.922  231.265   13.126 -40.98044 20.63527 
1 1 1    1    5    2 o  295.656   22.778 10650.40  1577.99 10650.40  1577.99   0.0000   0.0000  295.656   22.778  ?   ?  0.000000 22.77794 
1 1 1    1    5    3 o  265.803   20.413  8573.90  1271.46  8573.90  1271.46   0.0000   0.0000  265.803   20.413  ?   ?  0.000000 20.41314 
1 1 1    1    5    4 o   69.457   4.0224  572.034   65.691  691.100   92.829  452.600   92.973   76.273   5.1849   61.499   6.5007 14.77413 8.315175 
1 1 1    1    5    5 o   78.932   4.3190  738.680   80.196  703.300  113.222  774.300  113.607   76.826   6.2964   80.667   6.0072 -3.840294 8.702332 
1 1 1    1    5    6 f   53.668   3.1275  341.477   39.464  358.900   55.847  324.100   55.773   54.924   4.3413   52.153   4.5751 2.771736 6.307038 
1 1 1    1    5    7 o  105.927   5.7721  1332.79  143.834  1236.90  203.458  1428.60  203.366  101.655   8.5554  109.399   7.9261 -7.743217 11.66264 
1 1 1    1    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5    9 o  124.128   6.6750  1832.38  194.932  1888.40  275.716  1776.40  275.636  125.586   9.3647  121.727   9.6690 3.859039 13.46056 
1 1 1    1    5   10 o  276.105   14.608  9181.33  949.007  8289.10  1340.92 10076.70  1343.28  259.015   22.136  286.902   19.952 -27.88687 29.80093 
1 1 1    1    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   12 f  274.585   14.679  9020.48  948.347  9178.20  1339.97  8862.20  1342.36  275.194   20.773  270.242   21.206 4.951813 29.68541 
1 1 1    1    5   13 f  335.562   25.913 13763.70  2037.38 13763.70  2037.38   0.0000   0.0000  335.562   25.913  ?   ?  0.000000 25.91274 
1 1 1    1    5   14 o  174.243   9.2623  3608.55  379.730  3524.10  537.015  3693.00  537.023  171.570   13.360  175.714   13.036 -4.143280 18.66623 
1 1 1    1    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   16 o   81.147   4.4089  780.531   84.165  837.800  119.100  723.400  118.956   83.942   6.0491   77.918   6.5253 6.023529 8.897853 
1 1 1    1    5   17 o  247.443   13.144  7319.88  765.246  7424.30  1082.30  7215.50  1082.14  247.671   18.643  244.053   18.925 3.617783 26.56546 
1 1 1    1    5   18 o  218.439   11.609  5699.63  596.648  5870.10  843.838  5529.20  843.736  220.462   16.325  213.774   16.851 6.688843 23.46211 
1 1 1    1    5   19 o  155.222   8.2718  2868.27  302.097  3000.40  427.271  2736.20  427.188  158.169   11.519  150.885   12.091 7.284027 16.69990 
1 1 1    1    5   20 o   22.965   1.8458   62.690   9.9249   66.100   14.057   59.300   14.014   23.514   2.5738   22.237   2.7260 1.276611 3.749106 
1 1 1    1    5   21 o  108.750   5.8865  1405.80  150.601  1407.00  213.009  1404.60  212.955  108.423   8.3851  108.329   8.3904 0.9394073E-01 11.86206 
1 1 1    1    5   22 o   39.263   2.4727  182.881   22.808  194.600   32.283  171.200   32.229   40.424   3.4139   37.872   3.6490 2.552116 4.996999 
1 1 1    1    5   23 o  283.851   15.397  9859.04  1028.13  9536.00  1453.87 10182.20  1454.13  273.611   22.708  283.496   21.891 -9.885773 31.54142 
1 1 1    1    5   24 o   97.516   5.5167  1131.70  126.512  1277.80  178.730  985.000  179.101  103.333   7.3732   90.441   8.4855 12.89188 11.24138 
1 1 1    1    5   25 o  242.669   12.874  7167.07  735.071  6729.00  1038.74  7606.50  1040.35  230.933   19.223  246.571   17.992 -15.63815 26.32958 
1 1 1    1    5   26 o  145.083   8.1636  2522.52  278.541  2233.00  394.441  2810.50  393.395  135.118   12.504  152.269   11.015 -17.15123 16.66420 
1 1 1    1    5   27 o  101.146   5.5565  1218.50  132.204  1130.30  187.020  1306.60  186.908   96.888   8.2531  104.357   7.6378 -7.469513 11.24502 
1 1 1    1    5   28 o  167.250   9.0036  3366.59  354.276  3497.30  501.047  3235.90  500.998  168.939   12.652  162.211   13.194 6.727798 18.27968 
1 1 1    1    5   29 o  105.831   5.6826  1335.70  141.492  1225.20  200.010  1446.40  200.190  100.719   8.4888  109.677   7.7802 -8.958496 11.51482 
1 1 1    1    5   30 o  149.290   8.0339  2682.70  282.177  2565.00  398.969  2800.50  399.148  144.385   11.805  151.174   11.262 -6.789124 16.31556 
1 1 1    1    5   31 o  140.928   7.6167  2393.16  252.531  2271.40  357.072  2515.00  357.195  135.686   11.246  143.133   10.644 -7.446091 15.48454 
1 1 1    1    5   32 o   45.620   2.7601  247.331   29.593  236.000   41.816  258.700   41.887   44.392   4.0332   46.522   3.8475 -2.130142 5.573997 
1 1 1    1    5   33 o   94.719   5.2198  1076.05  116.298  1125.80  164.477  1026.30  164.463   96.188   7.2957   91.673   7.6678 4.515694 10.58409 
1 1 1    1    5   34 o   34.579   2.2915  142.236   18.605  153.400   26.328  131.100   26.295   35.804   3.1459   33.034   3.4205 2.770035 4.647223 
1 1 1    1    5   35 o   68.848   3.9203  567.751   63.470  567.400   89.866  568.100   89.655   68.318   5.6204   68.367   5.6027 -0.4890442E-01 7.935966 
1 1 1    1    5   36 o   83.080   4.6571  832.946   90.995  827.600  128.643  838.300  128.730   81.872   6.7132   82.424   6.6712 -0.5523911 9.464247 
1 1 1    1    5   37 o   73.703   4.2167  655.289   73.083  690.700  103.298  619.800  103.411   74.935   5.8851   70.780   6.2515 4.154640 8.585746 
1 1 1    1    5   38 o   30.953   2.1806  114.309   15.836  121.100   22.381  107.500   22.410   31.716   3.0251   29.823   3.2341 1.893515 4.428401 
1 1 1    1    5   39 o   26.583   1.9997   84.345   12.461   85.500   17.660   83.200   17.584   26.619   2.8540   26.248   2.8846 0.3707123 4.057928 
1 1 1    1    5   40 o   40.468   2.5713  196.047   24.444  200.200   34.580  191.900   34.557   40.620   3.6440   39.738   3.7263 0.8819847 5.211904 
1 1 1    1    5   41 o   81.393   4.6617  814.307   89.225  798.700  126.213  829.900  126.152   78.847   6.8469   80.521   6.6955 -1.674393 9.576470 
1 1 1    1    5   42 o   23.509   1.8928   66.180   10.419   71.200   14.763   61.200   14.705   24.240   2.6209   22.400   2.8442 1.840113 3.867618 
1 1 1    1    5   43 o   37.424   2.4347  168.681   21.399  179.600   30.289  157.800   30.236   38.278   3.3860   35.763   3.6308 2.514946 4.964594 
1 1 1    1    5   44 o   9.6972   1.6897   11.521   3.7286   10.400   5.3229   12.600   5.2244   9.1388   2.4261   10.056   2.2557 -0.9171886 3.312705 
1 1 1    1    5   45 o   17.724   1.7383   37.846   7.1817   33.000   10.152   42.700   10.161   16.293   2.7357   18.690   2.3545 -2.397505 3.609374 
1 1 1    1    5   46 o   36.755   2.4549  164.006   21.184  166.400   29.922  161.600   29.994   36.509   3.5142   35.937   3.5824 0.5724068 5.018253 
1 1 1    1    5   47 o   22.749   1.9084   62.469   10.157   70.000   14.347   54.900   14.382   23.883   2.5851   20.982   2.9870 2.900879 3.950312 
1 1 1    1    5   48 o   27.080   2.0525   88.745   13.028   91.700   18.438   85.800   18.409   27.202   2.9160   26.256   3.0244 0.9452267 4.201246 
1 1 1    1    5   49 f   30.005   2.1951  109.674   15.445  120.200   21.818   99.100   21.868   31.008   3.0180   27.932   3.3845 3.075407 4.534619 
1 1 1    1    5   50 o   10.539   1.7111   13.685   4.1123   14.400   5.8781   13.000   5.7553   10.650   2.3955   10.106   2.4395 0.5434008 3.418963 
1 1 1    1    5   51 o   24.038   1.9208   70.556   10.812   83.000   15.381   58.400   15.201   25.767   2.5618   21.290   3.1159 4.476667 4.033838 
1 1 1    1    5   52 o   15.943   1.8079   31.208   6.6855   26.100   9.5586   36.100   9.3543   14.122   2.9609   16.927   2.4082 -2.804091 3.816639 
1 1 1    1    5   53 f   19.725   2.7301   49.800   12.375   49.800   12.375   0.0000   0.0000   19.725   2.7301  ?   ?  0.000000 2.730062 
1 1 1    1    5   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    5   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6    2 o  216.685   16.593  5663.20  842.575  5663.20  842.575   0.0000   0.0000  216.685   16.593  ?   ?  0.000000 16.59319 
1 1 1    1    6    3 o  227.295   17.383  6247.20  925.928  6247.20  925.928   0.0000   0.0000  227.295   17.383  ?   ?  0.000000 17.38322 
1 1 1    1    6    4 o  154.783   8.4771  2850.80  308.661  3079.70  435.947  2620.70  437.081  160.372   11.590  147.662   12.658 12.71017 17.16208 
1 1 1    1    6    5 f  186.144   10.075  4134.85  441.193  4276.80  622.852  3991.90  625.035  188.378   14.104  181.804   14.685 6.573608 20.36105 
1 1 1    1    6    6 o  126.686   6.8147  1908.50  203.115  1837.00  287.242  1980.00  287.254  123.788   9.9098  128.617   9.5259 -4.828201 13.74575 
1 1 1    1    6    7 o  171.498   9.1701  3511.90  370.016  3496.80  523.267  3527.00  523.297  170.135   13.126  170.890   13.067 -0.7544861 18.52136 
1 1 1    1    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6    9 o  210.661   11.225  5311.48  556.381  5164.70  786.657  5458.40  787.026  206.188   16.290  212.168   15.823 -5.980301 22.70930 
1 1 1    1    6   10 o  351.993   18.837 15022.21  1560.05 13876.00  2205.00 16171.00  2207.48  332.820   28.326  360.996   26.071 -28.17636 38.49793 
1 1 1    1    6   11 o  216.162   11.441  5570.55  581.901  5308.30  822.695  5833.10  823.171  209.837   16.743  220.233   15.936 -10.39661 23.11464 
1 1 1    1    6   12 o  358.414   27.808 15783.30  2335.08   0.0000   0.0000 15783.30  2335.08  ?   ?   358.414   27.808 0.000000 27.80798 
1 1 1    1    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   14 o   24.712   1.9390   72.558   11.224   77.000   15.859   68.100   15.887   25.391   2.6858   23.839   2.8808 1.552984 3.938576 
1 1 1    1    6   15 o  239.924   12.588  6867.45  710.670  6592.30  1004.31  7143.40  1005.77  233.694   18.347  243.527   17.609 -9.833099 25.42980 
1 1 1    1    6   16 o  166.434   8.8225  3293.14  345.494  3414.70  488.722  3171.70  488.483  168.941   12.336  162.699   12.818 6.241943 17.79015 
1 1 1    1    6   17 o  222.118   11.796  5889.33  616.470  5708.40  871.782  6070.30  871.858  217.357   17.124  224.338   16.575 -6.980957 23.83224 
1 1 1    1    6   18 o  475.478   39.557 29785.50  4401.04 29785.50  4401.04   0.0000   0.0000  475.478   39.557  ?   ?  0.000000 39.55694 
1 1 1    1    6   19 o  315.431   16.804 12058.51  1247.10 11261.80  1763.24 12856.00  1764.09  300.082   25.114  321.920   23.366 -21.83798 34.30287 
1 1 1    1    6   20 o  131.743   7.0364  2065.05  218.104  2148.00  308.532  1982.20  308.359  133.891   9.8272  128.507   10.247 5.383835 14.19765 
1 1 1    1    6   21 o  131.028   7.0398  2044.55  217.017  2063.80  306.927  2025.30  306.889  131.081   9.9912  129.824   10.090 1.256851 14.19965 
1 1 1    1    6   22 o  219.469   11.728  5806.55  605.589  6032.20  856.628  5581.10  856.236  221.511   16.495  212.659   17.198 8.852280 23.82994 
1 1 1    1    6   23 o  182.388   9.7511  3992.55  418.441  4156.20  591.857  3829.00  591.672  184.672   13.669  176.964   14.281 7.708282 19.76846 
1 1 1    1    6   24 o  394.158   22.132 19831.33  2051.61 21158.10  2903.91 18509.10  2898.93  392.345   31.612  362.500   34.273 29.84494 46.62563 
1 1 1    1    6   25 o  234.391   12.224  6669.24  674.258  5730.20  953.085  7610.10  954.006  213.010   19.153  247.766   16.399 -34.75641 25.21420 
1 1 1    1    6   26 o  211.071   11.443  5399.29  568.193  5225.60  803.745  5572.80  803.348  204.646   16.780  211.759   16.188 -7.112747 23.31587 
1 1 1    1    6   27 o  122.591   6.6322  1794.36  191.277  1787.80  270.635  1800.90  270.378  121.662   9.4955  122.122   9.4495 -0.4596786 13.39620 
1 1 1    1    6   28 o   72.614   4.0325  626.562   68.871  565.500   97.368  687.700   97.428   68.682   6.0659   75.889   5.4736 -7.206505 8.170397 
1 1 1    1    6   29 o  111.475   5.9222  1482.99  155.332  1306.30  219.572  1660.00  219.773  103.850   9.0441  117.467   7.9703 -13.61693 12.05487 
1 1 1    1    6   30 o  183.506   9.9297  4090.75  428.676  3983.60  606.092  4198.00  606.387  178.272   14.524  183.322   14.116 -5.049774 20.25388 
1 1 1    1    6   31 o   35.447   2.3703  149.275   19.725  142.400   27.946  156.100   27.846   34.489   3.4790   36.150   3.2984 -1.660538 4.794002 
1 1 1    1    6   32 o   34.212   2.3161  139.120   18.601  131.900   26.342  146.300   26.270   33.175   3.4112   34.983   3.2160 -1.808716 4.688227 
1 1 1    1    6   33 o   90.897   4.9548  990.173  105.949  910.100  149.762  1070.40  149.906   86.338   7.4178   93.916   6.8057 -7.578659 10.06685 
1 1 1    1    6   34 o  145.877   8.0752  2620.75  277.081  2691.50  391.845  2550.00  391.857  144.772   11.559  140.542   11.920 4.229797 16.60378 
1 1 1    1    6   35 o   66.016   3.7736  521.751   58.582  524.400   82.835  519.100   82.860   65.721   5.3849   65.375   5.4163 0.3459473 7.637657 
1 1 1    1    6   36 f   30.093   2.1371  107.901   15.088  108.400   21.309  107.400   21.366   30.024   3.0479   29.879   3.0720 0.1443615 4.327480 
1 1 1    1    6   37 o   49.569   3.0020  293.917   34.973  312.100   49.437  275.700   49.482   50.790   4.1585   47.631   4.4511 3.159309 6.091368 
1 1 1    1    6   38 o   83.139   4.6947  840.151   91.790  842.300  129.775  838.000  129.847   82.007   6.7619   81.780   6.7852 0.2266159 9.579238 
1 1 1    1    6   39 o   32.154   2.2188  123.450   16.743  123.800   23.689  123.100   23.668   32.013   3.1756   31.920   3.1825 0.9299278E-01 4.495834 
1 1 1    1    6   40 o   17.779   1.7269   37.840   7.1584   43.800   10.132   31.900   10.115   19.048   2.2991   16.125   2.7555 2.923643 3.588655 
1 1 1    1    6   41 o   22.480   1.8730   60.452   9.8522   62.100   13.926   58.800   13.940   22.641   2.6551   22.004   2.7424 0.6370640 3.817124 
1 1 1    1    6   42 o   14.585   1.6797   25.602   5.6793   26.000   8.0103   25.200   8.0534   14.558   2.4147   14.315   2.4717 0.2428112 3.455487 
1 1 1    1    6   43 o   60.883   3.6031  454.895   51.571  476.500   72.940  433.300   72.924   61.186   5.0947   58.095   5.3768 3.091255 7.407180 
1 1 1    1    6   44 o   21.105   1.8282   53.546   9.0210   50.400   12.751   56.700   12.765   20.246   2.7371   21.545   2.5591 -1.298405 3.747116 
1 1 1    1    6   45 o   25.777   1.9621   80.013   11.853   91.700   16.790   68.400   16.737   27.404   2.6268   23.475   3.0947 3.928741 4.059167 
1 1 1    1    6   46 o   14.649   1.6908   25.957   5.7415   23.500   8.1306   28.400   8.1088   13.711   2.6066   15.179   2.3373 -1.468230 3.501044 
1 1 1    1    6   47 o   17.376   1.7789   36.492   7.1960   34.000   10.265   38.900   10.090   16.511   2.7283   17.763   2.4726 -1.252708 3.682022 
1 1 1    1    6   48 o   21.012   1.8385   53.341   9.0300   56.600   12.787   50.100   12.754   21.421   2.5798   20.074   2.7639 1.347994 3.780805 
1 1 1    1    6   49 o   14.164   1.6854   24.386   5.5262   28.900   7.8274   19.900   7.8031   15.285   2.2347   12.501   2.7207 2.783732 3.520775 
1 1 1    1    6   50 o   21.574   1.8586   56.584   9.3762   60.200   13.289   53.000   13.231   21.959   2.6140   20.504   2.8065 1.455753 3.835321 
1 1 1    1    6   51 o   20.467   1.8588   51.165   8.8857   56.200   12.547   46.100   12.585   21.154   2.5643   18.976   2.9009 2.178413 3.871739 
1 1 1    1    6   52 o   22.368   1.9613   61.449   10.255   61.400   14.369   61.500   14.639   21.909   2.8446   21.892   2.9034 0.1621437E-01 4.064715 
1 1 1    1    6   53 o   9.5339   2.6615   11.800   6.2205   11.800   6.2205   0.0000   0.0000   9.5339   2.6615  ?   ?  0.000000 2.661466 
1 1 1    1    6   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    6   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7    0 f   48.551   4.2780  284.900   48.169  284.900   48.169  284.900   48.169   48.551   4.2780   48.551   4.2780 -0.000000 0.000000 
1 1 1    1    7    1 o   48.508   2.9721  279.028   33.880  298.500   47.819  259.400   48.009   50.087   4.0785   46.634   4.4121 3.453136 6.008395 
1 1 1    1    7    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7    3 o  125.188   9.6292  1874.20  282.471  1874.20  282.471   0.0000   0.0000  125.188   9.6292  ?   ?  0.000000 9.629238 
1 1 1    1    7    4 o  223.949   12.101  6011.90  637.553  6454.80  901.129  5568.00  902.143  230.556   16.664  213.525   18.062 17.03033 24.57467 
1 1 1    1    7    5 o  209.501   11.251  5259.64  554.553  5309.20  783.125  5209.80  785.393  208.936   15.994  206.880   16.207 2.055679 22.77003 
1 1 1    1    7    6 o   76.684   4.2375  697.688   76.435  678.400  107.784  717.200  108.410   75.413   6.1050   77.571   5.9641 -2.157867 8.534778 
1 1 1    1    7    7 o  231.433   12.347  6437.18  672.349  6178.50  950.620  6696.10  951.072  224.477   18.087  234.091   17.329 -9.613937 25.04855 
1 1 1    1    7    8 o  182.031   9.7177  3955.70  416.197  3936.20  588.520  3975.20  588.662  180.548   13.911  181.465   13.842 -0.9167328 19.62459 
1 1 1    1    7    9 o   70.923   3.9340  596.367   65.627  539.800   92.742  653.100   92.878   67.277   5.8974   74.108   5.3433 -6.831062 7.957983 
1 1 1    1    7   10 o  226.322   12.039  6113.75  641.069  6159.20  906.586  6068.30  906.632  225.928   17.121  224.206   17.257 1.721481 24.30893 
1 1 1    1    7   11 o  114.410   6.0091  1552.33  161.776  1708.60  229.057  1396.80  228.514  119.836   8.1429  108.189   9.0272 11.64685 12.15718 
1 1 1    1    7   12 o  306.920   16.300 11282.24  1177.10 11382.00  1666.82 11183.00  1662.53  306.062   23.236  303.302   23.394 2.760040 32.97272 
1 1 1    1    7   13 o  126.092   6.7032  1886.25  198.868  2020.00  281.402  1752.80  281.083  130.231   9.2100  121.177   9.9099 9.054016 13.52888 
1 1 1    1    7   14 o  420.667   22.671 21459.34  2243.67 21628.00  3172.61 21290.60  3173.44  416.620   32.506  413.146   32.798 3.474030 46.17767 
1 1 1    1    7   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   16 o  186.462   9.9542  4139.12  436.703  4311.50  617.463  3966.60  617.719  189.590   13.889  181.671   14.521 7.918427 20.09356 
1 1 1    1    7   17 o  252.589   13.446  7640.30  799.109  7568.50  1130.12  7712.10  1130.10  249.541   19.330  251.982   19.136 -2.440552 27.19931 
1 1 1    1    7   18 o  415.405   22.898 21246.64  2237.47 21649.90  3159.42 20840.90  3169.12  410.605   32.861  402.000   33.696 8.604401 47.06620 
1 1 1    1    7   19 o   77.557   4.3079  713.550   78.584  714.500  111.128  712.600  111.142   77.422   6.1286   77.317   6.1380 0.1048126 8.673768 
1 1 1    1    7   20 o   86.192   4.7367  881.847   96.035  888.700  135.844  875.000  135.785   86.295   6.7194   85.616   6.7716 0.6790237 9.539609 
1 1 1    1    7   21 o  265.455   14.295  8551.11  892.763  8768.30  1262.66  8334.00  1262.45  265.222   20.316  258.150   20.889 7.071655 29.13894 
1 1 1    1    7   22 f  280.449   15.175  9603.23  1001.20  9345.60  1415.72  9861.00  1416.09  271.571   22.273  279.538   21.621 -7.966553 31.04096 
1 1 1    1    7   23 o   38.601   2.4656  176.798   22.357  182.500   31.623  171.100   31.612   39.129   3.4581   37.864   3.5780 1.264748 4.975976 
1 1 1    1    7   24 o  111.084   6.0172  1469.74  157.248  1464.90  222.208  1474.60  222.556  110.403   8.5911  110.773   8.5751 -0.3701477 12.13837 
1 1 1    1    7   25 o  101.070   5.3632  1215.48  127.541  1077.60  180.258  1353.70  180.483   94.652   8.1442  106.355   7.2294 -11.70235 10.89005 
1 1 1    1    7   26 o  169.034   9.1524  3434.65  363.959  3250.80  514.854  3618.30  514.577  162.732   13.521  172.091   12.754 -9.359085 18.58669 
1 1 1    1    7   27 o   63.031   3.5562  471.717   52.714  431.400   74.519  512.100   74.579   60.052   5.3098   65.531   4.8541 -5.479355 7.194163 
1 1 1    1    7   28 o   39.563   2.4996  185.789   23.231  171.500   32.842  200.100   32.867   37.875   3.7200   40.974   3.4285 -3.098206 5.058956 
1 1 1    1    7   29 o   66.332   3.7115  522.795   57.902  460.600   81.850  585.100   81.922   61.974   5.6553   70.017   4.9875 -8.042858 7.540426 
1 1 1    1    7   30 o   36.574   2.4021  158.861   20.630  149.100   29.192  168.600   29.160   35.299   3.5504   37.587   3.3195 -2.287647 4.860461 
1 1 1    1    7   31 o   74.706   4.1781  664.790   73.409  669.100  103.942  660.500  103.690   74.613   5.9489   74.124   5.9747 0.4892502 8.431329 
1 1 1    1    7   32 o   61.552   3.5353  451.099   51.169  466.100   72.366  436.100   72.362   62.322   4.9583   60.234   5.1366 2.088097 7.139265 
1 1 1    1    7   33 f  146.102   8.0096  2611.31  275.277  2539.40  389.201  2683.30  389.401  141.264   11.775  145.537   11.423 -4.272430 16.40492 
1 1 1    1    7   34 o   42.376   2.6474  213.798   26.359  215.500   37.294  212.100   37.260   42.366   3.7671   42.023   3.7958 0.3435364 5.347876 
1 1 1    1    7   35 f   53.700   3.1602  344.285   39.896  331.100   56.390  357.500   56.454   52.331   4.6104   54.439   4.4300 -2.108391 6.393822 
1 1 1    1    7   36 o   65.053   3.7595  507.924   57.505  534.500   81.287  481.300   81.361   66.240   5.2395   62.718   5.5510 3.522026 7.633243 
1 1 1    1    7   37 o   42.616   2.6676  216.903   26.709  204.800   37.777  229.000   37.768   41.126   3.9382   43.567   3.7064 -2.441223 5.407992 
1 1 1    1    7   38 o   26.816   1.9912   85.779   12.519   91.600   17.737   80.000   17.672   27.591   2.7593   25.728   2.9629 1.863592 4.048783 
1 1 1    1    7   39 f   39.278   2.4956  184.423   23.026  199.000   32.593  169.900   32.534   40.590   3.4327   37.404   3.7334 3.186592 5.071665 
1 1 1    1    7   40 o   55.267   3.2751  368.001   42.551  369.300   60.159  366.700   60.192   54.795   4.6948   54.591   4.7157 0.2038536 6.654207 
1 1 1    1    7   41 o   44.704   2.7717  240.248   29.115  243.000   41.192  237.500   41.157   44.555   3.9564   44.026   4.0026 0.5286064 5.627960 
1 1 1    1    7   42 o   45.263   2.8455  247.389   30.259  261.000   42.732  233.700   42.854   46.024   3.9708   43.409   4.2346 2.614853 5.805108 
1 1 1    1    7   43 o   44.937   2.7982  244.692   29.545  239.200   41.752  250.200   41.813   43.803   4.0837   44.859   3.9889 -1.056442 5.708591 
1 1 1    1    7   44 o   5.0822   1.5546   3.0789   2.0394   3.9000   2.9229   2.3000   2.8468   5.7980   1.8734   4.9620   1.8348 0.8359499 2.622230 
1 1 1    1    7   45 o   16.576   1.7105   33.133   6.5987   37.200   9.3518   29.100   9.3121   17.428   2.3308   15.288   2.6770 2.140039 3.549473 
1 1 1    1    7   46 o   28.628   2.1069   99.002   14.143   98.100   20.024   99.900   19.979   28.150   3.0617   28.426   3.0229 -0.2759304 4.302518 
1 1 1    1    7   47 o   45.683   2.8695  256.098   30.797  276.700   43.556  235.500   43.551   46.688   3.9890   42.751   4.3758 3.937038 5.921120 
1 1 1    1    7   48 o   10.462   1.6663   13.406   3.9782   12.900   5.6626   13.900   5.5902   10.116   2.4057   10.519   2.3135 -0.4031811 3.337563 
1 1 1    1    7   49 o   26.872   2.0666   87.812   13.013   86.500   18.487   89.100   18.321   26.236   3.0404   26.673   2.9586 -0.4372730 4.242342 
1 1 1    1    7   50 o   20.912   1.8565   53.200   9.0722   58.900   12.830   47.500   12.830   21.742   2.5473   19.348   2.8974 2.394363 3.857918 
1 1 1    1    7   51 o   11.752   1.7239   17.015   4.6419   16.500   6.6648   17.500   6.4689   11.329   2.5525   11.714   2.4188 -0.3848467 3.516502 
1 1 1    1    7   52 f   16.094   1.8595   31.876   6.9367   36.900   9.6052   26.400   10.028   17.093   2.4497   14.145   3.0889 2.948236 3.942400 
1 1 1    1    7   53 o   10.264   2.5604   13.700   6.1849   13.700   6.1849   0.0000   0.0000   10.264   2.5604  ?   ?  0.000000 2.560399 
1 1 1    1    7   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    7   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8    0 o   51.883   4.4973  325.200   54.147  325.200   54.147  325.200   54.147   51.883   4.4973   51.883   4.4973 0.000000 0.000000 
1 1 1    1    8    1 o   48.177   2.8741  275.214   32.548  253.800   45.938  296.800   46.123   46.131   4.2654   49.949   3.9425 -3.817741 5.808381 
1 1 1    1    8    2 o  357.642   28.896 16355.10  2419.48 16355.10  2419.48   0.0000   0.0000  357.642   28.896  ?   ?  0.000000 28.89600 
1 1 1    1    8    3 o  274.283   21.472  9326.00  1379.59  9326.00  1379.59   0.0000   0.0000  274.283   21.472  ?   ?  0.000000 21.47191 
1 1 1    1    8    4 o  224.268   12.125  6042.88  639.723  6853.80  904.465  5231.10  904.945  237.298   16.239  206.095   18.802 31.20273 24.84364 
1 1 1    1    8    5 o  183.330   9.9315  4019.36  428.341  4392.70  605.432  3645.20  606.099  190.667   13.535  173.148   14.971 17.51891 20.18250 
1 1 1    1    8    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8    7 o  266.293   14.563  8548.10  912.249  9205.70  1288.84  7887.90  1291.39  273.898   20.067  252.532   21.872 21.36588 29.68285 
1 1 1    1    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8    9 o  316.828   16.192 12058.51  1207.32 10114.60  1706.03 14008.70  1708.79  286.433   25.490  339.422   21.430 -52.98953 33.30117 
1 1 1    1    8   10 o  240.233   12.725  6885.19  719.277  7187.30  1017.40  6583.30  1017.02  244.284   17.759  233.515   18.598 10.76959 25.71517 
1 1 1    1    8   11 o  325.699   17.343 12724.45  1329.00 12714.10  1879.51 12734.80  1879.48  322.932   24.838  323.206   24.816 -0.2738342 35.11028 
1 1 1    1    8   12 o  241.467   12.807  6953.00  727.661  6704.10  1028.97  7202.00  1029.16  235.788   18.633  244.618   17.942 -8.830795 25.86683 
1 1 1    1    8   13 o   88.646   4.8647  931.604  101.441  898.200  143.468  965.000  143.452   86.836   7.0578   90.055   6.7959 -3.219498 9.797762 
1 1 1    1    8   14 o  165.985   8.8377  3274.49  345.146  3247.80  488.018  3301.20  488.204  164.739   12.642  166.114   12.538 -1.374527 17.80515 
1 1 1    1    8   15 o  333.895   17.841 13421.19  1401.56 13626.40  1982.12 13216.00  1982.07  333.208   25.382  327.918   25.806 5.289978 36.19664 
1 1 1    1    8   16 o  159.165   8.4820  3012.17  317.641  3088.30  449.291  2936.10  449.134  160.627   11.931  156.539   12.248 4.088058 17.09832 
1 1 1    1    8   17 o  320.173   17.232 12386.35  1298.03 13131.20  1835.44 11641.10  1835.93  326.254   23.993  306.164   25.630 20.08936 35.10793 
1 1 1    1    8   18 o  240.431   12.702  6934.15  718.583  6678.10  1015.53  7190.90  1016.93  233.873   18.541  243.024   17.846 -9.151016 25.73354 
1 1 1    1    8   19 o  224.520   11.877  6048.33  627.429  6473.60  887.550  5623.50  887.086  230.664   16.402  214.390   17.680 16.27425 24.11661 
1 1 1    1    8   20 f  195.789   10.474  4594.36  482.473  4553.30  682.371  4635.40  682.270  193.387   15.062  195.187   14.916 -1.800461 21.19736 
1 1 1    1    8   21 o  181.612   9.6624  3951.75  412.885  4182.60  584.034  3721.10  583.782  185.629   13.414  174.716   14.275 10.91251 19.58842 
1 1 1    1    8   22 o  168.401   9.0131  3395.88  357.112  3328.50  504.960  3463.30  505.104  165.462   13.029  168.897   12.759 -3.435501 18.23609 
1 1 1    1    8   23 o  279.358   15.193  9570.45  998.456  9838.40  1412.15  9302.60  1411.91  278.000   21.683  269.659   22.375 8.340698 31.15797 
1 1 1    1    8   24 o  137.848   7.4532  2270.85  241.708  2319.40  341.658  2222.20  341.995  138.501   10.525  135.473   10.780 3.027161 15.06614 
1 1 1    1    8   25 f  106.911   5.7884  1361.38  145.587  1289.30  205.867  1433.50  205.915  103.508   8.4977  109.283   8.0358 -5.775047 11.69551 
1 1 1    1    8   26 o   87.000   4.8063  900.168   98.356  799.500  139.109  1000.80  139.084   81.573   7.2990   91.490   6.4798 -9.916786 9.760262 
1 1 1    1    8   27 o   68.270   3.8428  553.636   61.698  542.000   87.203  565.300   87.305   67.326   5.5341   68.785   5.4190 -1.458549 7.745449 
1 1 1    1    8   28 o  158.753   8.5420  3031.27  319.039  2900.00  451.139  3162.60  451.239  153.648   12.544  160.766   11.972 -7.118179 17.34003 
1 1 1    1    8   29 o  277.280   15.217  9621.22  992.545  9901.10  1406.28  9343.40  1401.08  273.125   21.991  264.400   22.660 8.724457 31.57632 
1 1 1    1    8   30 o  156.930   8.5636  2977.40  316.141  2888.50  447.329  3066.10  446.853  152.553   12.528  157.446   12.112 -4.892502 17.42591 
1 1 1    1    8   31 o  110.295   6.0102  1458.79  155.942  1394.20  220.515  1523.40  220.554  106.873   8.8166  111.907   8.4078 -5.033661 12.18292 
1 1 1    1    8   32 o   95.221   5.2452  1086.50  117.484  1113.00  166.138  1060.00  166.158   95.688   7.4106   93.297   7.6084 2.391136 10.62090 
1 1 1    1    8   33 o   70.656   3.9897  596.396   66.293  591.600   93.710  601.200   93.796   69.941   5.7242   70.522   5.6806 -0.5812531 8.064515 
1 1 1    1    8   34 o   63.094   3.6213  475.699   53.727  469.500   75.973  481.900   75.990   62.283   5.2136   63.126   5.1425 -0.8431435 7.323104 
1 1 1    1    8   35 o   98.304   5.3644  1170.83  124.054  1271.30  175.539  1070.60  175.338  101.311   7.3886   92.488   8.1103 8.823105 10.97125 
1 1 1    1    8   36 o   63.462   3.6510  483.296   54.482  495.800   77.062  470.800   77.037   63.777   5.1613   62.083   5.3059 1.694038 7.402122 
1 1 1    1    8   37 o   41.683   2.6198  207.499   25.655  212.400   36.286  202.600   36.278   41.940   3.7019   40.931   3.7966 1.009602 5.302701 
1 1 1    1    8   38 o   52.576   3.1357  331.503   38.752  326.100   54.820  336.900   54.788   51.712   4.5352   52.596   4.4531 -0.8846474 6.355983 
1 1 1    1    8   39 f   34.228   2.2786  139.932   18.312  149.300   25.922  130.600   25.871   35.181   3.1538   32.831   3.3857 2.350216 4.627059 
1 1 1    1    8   40 o   51.662   3.0844  321.086   37.456  331.600   53.006  310.600   52.935   52.033   4.3540   50.284   4.5059 1.749157 6.265814 
1 1 1    1    8   41 o   54.253   3.2346  355.894   41.251  353.400   58.273  358.400   58.403   53.393   4.6688   53.786   4.6440 -0.3923264 6.585119 
1 1 1    1    8   42 o   36.677   2.4173  161.748   20.818  163.100   29.463  160.400   29.420   36.490   3.4608   36.174   3.4873 0.3154182 4.913091 
1 1 1    1    8   43 f   56.670   3.3912  393.349   45.171  396.100   63.893  390.600   63.870   55.800   4.8987   55.379   4.9359 0.4211235 6.954158 
1 1 1    1    8   44 o   9.4653   1.6590   10.982   3.5729   12.900   5.0772   9.1000   5.0289   10.183   2.1774   8.5716   2.3931 1.611463 3.235408 
1 1 1    1    8   45 o   7.6222   1.6754   7.2000   2.9332   11.000   4.1482   3.4000   4.1482   9.4185   1.9300   5.9864   2.2145 3.432090 2.937552 
1 1 1    1    8   46 o   31.956   2.2375  123.598   16.777  126.100   23.739  121.100   23.715   31.883   3.1961   31.206   3.2667 0.6771240 4.570111 
1 1 1    1    8   47 f   26.040   2.0102   81.949   12.265   84.300   17.350   79.600   17.343   26.114   2.8603   25.330   2.9550 0.7843323 4.112587 
1 1 1    1    8   48 o   8.6310   1.6907   9.2184   3.3225   14.200   4.6901   4.2000   4.7075   10.714   1.9246   6.4766   2.3650 4.237312 3.049181 
1 1 1    1    8   49 o   40.259   2.6428  199.956   24.984  204.500   35.311  195.400   35.355   39.826   3.8009   38.831   3.9088 0.9942970 5.452115 
1 1 1    1    8   50 o   28.425   2.1411   98.869   14.266  104.900   20.144   92.800   20.207   28.809   3.0053   26.939   3.2417 1.870132 4.420431 
1 1 1    1    8   51 o   14.314   1.7240   25.093   5.7100   29.100   8.0821   21.100   8.0682   15.225   2.3215   12.770   2.7564 2.455020 3.603823 
1 1 1    1    8   52 o   12.465   1.7300   19.151   4.9548   17.000   6.9310   21.400   7.0859   11.453   2.6196   12.960   2.4039 -1.507039 3.555438 
1 1 1    1    8   53 o   9.0188   2.6140   10.500   5.8902   10.500   5.8902   0.0000   0.0000   9.0188   2.6140  ?   ?  0.000000 2.614049 
1 1 1    1    8   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    8   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9    1 o  391.559   32.542 20159.30  2981.61   0.0000   0.0000 20159.30  2981.61  ?   ?   391.559   32.542 0.000000 32.54201 
1 1 1    1    9    2 o  208.979   16.127  5321.00  789.674  5321.00  789.674   0.0000   0.0000  208.979   16.127  ?   ?  0.000000 16.12709 
1 1 1    1    9    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9    4 o  146.431   7.7221  2553.20  266.067  2421.20  375.568  2686.20  376.986  141.893   11.303  149.628   10.741 -7.735611 15.59240 
1 1 1    1    9    5 o  206.784   10.599  5111.69  515.798  4625.40  727.881  5602.20  731.027  195.142   15.935  215.386   14.457 -20.24414 21.51585 
1 1 1    1    9    6 o  180.127   9.2476  3866.34  392.015  3547.70  553.003  4188.20  555.793  171.550   13.767  186.758   12.678 -15.20839 18.71552 
1 1 1    1    9    7 o  151.724   7.9497  2736.64  283.828  2555.40  400.726  2919.10  402.065  146.001   11.722  156.246   10.967 -10.24519 16.05254 
1 1 1    1    9    8 o   70.122   3.9068  582.848   64.433  543.000   91.062  622.800   91.182   67.509   5.7677   72.373   5.3738 -4.863365 7.883117 
1 1 1    1    9    9 o   48.812   2.9198  282.429   33.500  293.300   47.422  271.600   47.331   49.655   4.0805   47.754   4.2415 1.900631 5.885665 
1 1 1    1    9   10 o  214.364   11.373  5471.22  573.653  5418.30  811.018  5524.20  811.518  212.390   16.295  214.501   16.140 -2.110947 22.93528 
1 1 1    1    9   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   13 o  111.944   5.9848  1486.33  157.630  1585.80  223.058  1387.10  222.788  115.415   8.2387  107.832   8.8269 7.582916 12.07431 
1 1 1    1    9   14 o  146.751   7.8361  2557.94  270.565  2522.60  382.552  2593.30  382.720  145.272   11.239  147.331   11.082 -2.058395 15.78392 
1 1 1    1    9   15 o  271.926   14.483  8857.43  926.618  8889.10  1310.74  8825.80  1310.13  270.420   20.683  269.424   20.753 0.9951782 29.29971 
1 1 1    1    9   16 o  382.250   20.021 17741.95  1800.89 16658.80  2541.59 18834.10  2552.13  364.324   29.804  388.843   27.982 -24.51880 40.88116 
1 1 1    1    9   17 o  241.403   12.885  6987.04  731.830  6841.00  1034.93  7133.10  1034.99  236.897   18.652  242.094   18.239 -5.197159 26.08706 
1 1 1    1    9   18 o  175.504   9.1390  3673.42  377.438  4077.40  534.164  3270.60  533.393  184.190   12.353  164.482   13.862 19.70839 18.56761 
1 1 1    1    9   19 o   93.220   5.0731  1031.77  111.251  1006.10  157.231  1057.50  157.435   91.769   7.3165   94.125   7.1364 -2.355629 10.22051 
1 1 1    1    9   20 o  106.430   5.7235  1346.50  143.315  1405.40  202.766  1287.70  202.590  108.401   7.9774  103.673   8.3461 4.727966 11.54541 
1 1 1    1    9   21 o   97.464   5.3137  1129.10  121.831  1102.30  172.291  1155.90  172.298   95.947   7.6685   98.299   7.4789 -2.352013 10.71170 
1 1 1    1    9   22 o   87.365   4.8044  906.902   98.733  879.600  139.635  934.200  139.625   85.735   6.9572   88.408   6.7390 -2.672813 9.685919 
1 1 1    1    9   23 o   46.331   2.8232  254.708   30.740  263.000   43.453  246.400   43.493   46.973   3.9543   45.439   4.0976 1.533997 5.694464 
1 1 1    1    9   24 o  161.973   8.6639  3145.64  330.174  3019.60  466.826  3271.80  467.046  157.322   12.674  164.008   12.146 -6.685455 17.55409 
1 1 1    1    9   25 o  198.567   10.688  4763.27  499.295  4199.10  706.088  5327.50  706.131  183.559   16.465  208.118   14.458 -24.55927 21.91216 
1 1 1    1    9   26 o  113.995   5.9948  1548.82  160.803  1356.90  227.275  1741.20  227.546  105.991   9.1711  120.449   8.0465 -14.45789 12.20064 
1 1 1    1    9   27 o   50.868   3.0079  307.139   35.969  291.100   50.852  323.200   50.885   49.362   4.4091   52.062   4.1743 -2.700012 6.071629 
1 1 1    1    9   28 o   32.275   2.2114  123.700   16.752  123.900   23.694  123.500   23.689   32.205   3.1562   32.152   3.1610 0.5290604E-01 4.466948 
1 1 1    1    9   29 o  111.547   6.0126  1486.99  157.789  1399.30  223.068  1574.80  223.227  107.435   8.8722  114.183   8.3367 -6.747520 12.17445 
1 1 1    1    9   30 o  234.224   12.816  6819.77  706.171  6299.30  998.404  7340.80  998.950  217.941   19.610  237.438   17.949 -19.49710 26.58460 
1 1 1    1    9   31 o   99.328   5.3399  1180.71  124.786  1068.60  176.363  1293.10  176.585   93.673   8.0514  103.380   7.2801 -9.707039 10.85474 
1 1 1    1    9   32 f  111.037   6.0157  1484.38  157.142  1399.60  222.080  1569.40  222.385  106.591   8.9048  113.171   8.3812 -6.580093 12.22868 
1 1 1    1    9   33 o   68.704   3.8884  563.977   62.825  579.600   88.913  548.400   88.782   69.254   5.4818   67.307   5.6380 1.946419 7.863659 
1 1 1    1    9   34 o   34.544   2.3008  142.046   18.661  148.200   26.399  135.900   26.382   35.155   3.2157   33.626   3.3677 1.528835 4.656414 
1 1 1    1    9   35 o   46.187   2.8124  254.492   30.527  266.200   43.186  242.800   43.157   47.017   3.9257   44.843   4.1218 2.174416 5.692129 
1 1 1    1    9   36 o  103.748   5.7791  1317.68  141.019  1248.10  199.397  1387.30  199.466   98.846   8.6293  104.677   8.1335 -5.831398 11.85826 
1 1 1    1    9   37 o   31.072   2.1422  115.122   15.622  126.900   22.118  103.400   22.066   32.501   2.9129   29.245   3.2503 3.256586 4.364599 
1 1 1    1    9   38 o   38.201   2.4639  174.345   22.108  177.000   31.296  171.700   31.234   38.266   3.5024   37.672   3.5531 0.5945740 4.989091 
1 1 1    1    9   39 o   18.533   1.7063   41.064   7.3835   48.500   10.467   33.700   10.417   20.072   2.2469   16.590   2.7557 3.482138 3.555634 
1 1 1    1    9   40 o   42.658   2.6498  218.179   26.560  231.100   37.591  205.300   37.531   43.603   3.6854   41.000   3.9245 2.602890 5.383671 
1 1 1    1    9   41 o   29.930   2.1659  107.329   15.204  112.100   21.437  102.500   21.567   30.385   3.0281   28.993   3.2037 1.391388 4.408253 
1 1 1    1    9   42 f   33.371   2.2769  133.797   17.835  136.800   25.236  130.800   25.210   33.457   3.2346   32.681   3.3125 0.7754135 4.629811 
1 1 1    1    9   43 o   13.969   1.6663   23.554   5.3879   25.100   7.6094   22.000   7.6299   14.286   2.3365   13.314   2.5192 0.9719048 3.435883 
1 1 1    1    9   44 o   33.383   2.2586  134.516   17.700  154.000   25.053  115.100   25.010   35.434   3.0231   30.378   3.5537 5.056934 4.665637 
1 1 1    1    9   45 o   33.047   2.2716  132.090   17.619  136.500   24.945  127.700   24.890   33.206   3.2218   32.055   3.3372 1.150799 4.638630 
1 1 1    1    9   46 o   15.365   1.7115   28.550   6.1045   28.600   8.6213   28.500   8.6447   15.186   2.4905   15.156   2.5029 0.3044128E-01 3.530879 
1 1 1    1    9   47 o   16.075   1.7162   31.246   6.4139   33.100   9.0813   29.400   9.0600   16.369   2.4227   15.360   2.5900 1.008288 3.546456 
1 1 1    1    9   48 o   41.912   2.7060  216.000   26.638  216.700   37.675  215.300   37.670   41.096   3.9302   40.951   3.9442 0.1450043 5.568090 
1 1 1    1    9   49 o   20.495   1.8144   50.954   8.6900   57.700   12.332   44.300   12.248   21.589   2.4631   18.729   2.8600 2.859467 3.774467 
1 1 1    1    9   50 o   49.943   3.1669  316.098   37.155  313.900   52.526  318.300   52.566   47.863   4.7083   48.249   4.6723 -0.3854637 6.633147 
1 1 1    1    9   51 o   18.898   1.8069   43.649   7.9649   43.800   11.300   43.500   11.229   18.581   2.6504   18.520   2.6424 0.6103516E-01 3.742611 
1 1 1    1    9   52 o   15.047   1.6557   27.675   5.7856   22.600   8.0492   33.100   8.3216   13.225   2.6695   16.265   2.2251 -3.039400 3.475190 
1 1 1    1    9   53 o   26.698   3.1247   93.100   19.326   93.100   19.326   0.0000   0.0000   26.698   3.1247  ?   ?  0.000000 3.124688 
1 1 1    1    9   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10    0 o  295.290   23.124 10725.30  1589.67 10725.30  1589.67 10725.30  1589.67  295.290   23.124  295.290   23.124 0.000000 0.000000 
1 1 1    1   10    1 o  259.477   13.778  8105.96  841.187  8680.10  1190.75  7534.00  1188.49  266.227   19.067  247.224   20.544 19.00301 28.02929 
1 1 1    1   10    2 o  267.672   20.904  8827.10  1310.77  8827.10  1310.77   0.0000   0.0000  267.672   20.904  ?   ?  0.000000 20.90354 
1 1 1    1   10    3 o  242.366   18.714  7174.90  1062.73  7174.90  1062.73   0.0000   0.0000  242.366   18.714  ?   ?  0.000000 18.71407 
1 1 1    1   10    4 o  135.683   7.3025  2188.59  233.110  2568.70  329.650  1808.40  329.685  146.689   9.5693  122.625   11.521 24.06410 14.97657 
1 1 1    1   10    5 o  128.177   6.9397  1951.67  209.262  1993.50  295.513  1909.60  296.372  129.167   9.7607  126.365   10.014 2.803001 13.98416 
1 1 1    1   10    6 o  170.975   8.6313  3475.09  347.346  3066.40  489.757  3888.70  492.700  159.843   13.090  180.409   11.627 -20.56587 17.50866 
1 1 1    1   10    7 o  152.547   8.1769  2764.69  293.474  2774.30  414.088  2755.00  415.989  152.336   11.599  151.786   11.696 0.5495300 16.47206 
1 1 1    1   10    8 o  437.883   34.588 23996.90  3547.28   0.0000   0.0000 23996.90  3547.28  ?   ?   437.883   34.588 0.000000 34.58801 
1 1 1    1   10    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   10 o  175.620   9.3520  3665.66  386.433  3754.80  546.472  3576.50  546.526  177.187   13.155  172.847   13.497 4.339813 18.84741 
1 1 1    1   10   11 f  365.767   19.196 16100.80  1652.15 16867.80  2340.24 15338.70  2332.75  371.076   26.890  353.130   28.211 17.94653 38.97321 
1 1 1    1   10   12 o   79.489   4.3963  748.973   82.199  778.000  116.301  720.000  116.194   80.872   6.1358   77.755   6.3847 3.116302 8.855142 
1 1 1    1   10   13 o   71.173   3.9715  600.418   66.480  529.500   93.997  671.400   94.038   66.635   6.0394   75.167   5.3327 -8.532356 8.056784 
1 1 1    1   10   14 o  182.330   9.6994  3956.28  416.103  4026.00  588.525  3886.60  588.391  183.224   13.702  179.954   13.956 3.270187 19.55758 
1 1 1    1   10   15 o  176.520   9.1687  3707.71  380.858  4090.50  539.101  3326.30  538.128  184.853   12.423  166.320   13.827 18.53305 18.58797 
1 1 1    1   10   16 o  362.828   19.558 16014.31  1669.51 16543.10  2361.25 15485.70  2360.83  363.491   27.719  350.879   28.746 12.61157 39.93296 
1 1 1    1   10   17 o  210.519   11.237  5302.56  556.571  5162.70  787.127  5442.40  787.093  206.223   16.297  211.923   15.843 -5.700485 22.72847 
1 1 1    1   10   18 o  177.237   9.4726  3751.55  395.011  3752.20  558.559  3750.90  558.700  176.221   13.526  176.188   13.532 0.3242493E-01 19.13323 
1 1 1    1   10   19 o  107.848   5.8356  1382.52  148.062  1329.10  209.340  1436.00  209.442  105.339   8.4879  109.578   8.1527 -4.238396 11.76904 
1 1 1    1   10   20 o  128.299   6.9386  1961.05  209.430  2060.70  296.109  1861.30  296.249  130.994   9.6405  124.338   10.179 6.656258 14.01985 
1 1 1    1   10   21 f  137.379   7.3793  2251.50  238.510  2222.20  337.284  2280.80  337.325  135.738   10.607  137.565   10.463 -1.826218 14.89897 
1 1 1    1   10   22 o   80.405   4.4536  767.951   84.229  762.700  119.130  773.200  119.105   79.876   6.3689   80.435   6.3217 -0.5586472 8.973725 
1 1 1    1   10   23 o   96.498   5.2713  1107.70  119.660  1076.90  169.218  1138.50  169.233   94.754   7.6275   97.485   7.4071 -2.730804 10.63216 
1 1 1    1   10   24 o  200.899   10.599  4870.61  501.032  4351.40  708.302  5390.60  708.831  187.176   16.185  209.495   14.416 -22.31934 21.67427 
1 1 1    1   10   25 o  106.075   5.7889  1340.48  144.454  1275.80  204.336  1405.10  204.241  102.945   8.4813  108.167   8.0539 -5.222321 11.69606 
1 1 1    1   10   26 o  200.794   10.837  4881.48  511.929  4333.20  723.961  5429.80  723.992  186.027   16.657  209.654   14.717 -23.62729 22.22744 
1 1 1    1   10   27 o   9.6189   1.7280   11.266   3.7807   6.8000   5.4191   15.500   5.2771   7.7659   2.5535   11.277   2.0575 -3.511268 3.279245 
1 1 1    1   10   28 o   30.549   2.1452  110.850   15.377  111.200   21.756  110.500   21.735   30.504   3.0618   30.405   3.0693 0.9837151E-01 4.335353 
1 1 1    1   10   29 o   52.577   3.0687  328.320   37.933  303.800   53.613  352.900   53.679   50.381   4.5558   54.379   4.2132 -3.998005 6.205286 
1 1 1    1   10   30 o   90.506   4.8279  977.214  102.808  849.300  145.286  1105.50  145.498   83.752   7.4232   95.903   6.4625 -12.15132 9.842188 
1 1 1    1   10   31 o   41.728   2.6011  206.942   25.502  192.900   36.055  221.000   36.076   40.118   3.8534   43.006   3.5852 -2.887146 5.263250 
1 1 1    1   10   32 o  124.475   6.8415  1877.63  200.320  1819.50  283.358  1935.70  283.232  120.770   10.027  124.808   9.6862 -4.037537 13.94126 
1 1 1    1   10   33 f   55.726   3.2511  370.288   42.595  382.900   60.268  357.700   60.209   56.405   4.5639   54.467   4.7282 1.938190 6.571550 
1 1 1    1   10   34 o   39.908   2.5323  189.697   23.740  181.600   33.567  197.800   33.579   38.847   3.7041   40.589   3.5389 -1.742290 5.122873 
1 1 1    1   10   35 o   15.132   1.6508   27.422   5.8029   29.300   8.2685   25.600   8.1461   15.547   2.3236   14.486   2.4700 1.060678 3.391141 
1 1 1    1   10   36 o   61.006   3.5441  446.607   50.834  460.900   71.874  432.300   71.907   61.498   4.9924   59.480   5.1711 2.018032 7.187772 
1 1 1    1   10   37 f   27.138   2.0035   87.832   12.748   93.500   18.056   82.200   18.000   27.880   2.7798   26.086   2.9754 1.793524 4.071867 
1 1 1    1   10   38 o   24.525   1.9258   71.797   11.063   81.000   15.648   62.600   15.642   25.952   2.5880   22.703   2.9906 3.248837 3.954875 
1 1 1    1   10   39 o   53.950   3.1765  350.021   40.288  323.100   56.945  377.000   57.007   51.247   4.7601   55.552   4.3813 -4.304874 6.469529 
1 1 1    1   10   40 o   15.738   1.6936   29.724   6.1946   27.700   8.7046   31.800   8.8175   15.032   2.5429   16.164   2.3815 -1.131735 3.483984 
1 1 1    1   10   41 o   39.740   2.5287  189.777   23.606  207.400   33.405  172.200   33.362   41.245   3.4620   37.422   3.8293 3.822166 5.162241 
1 1 1    1   10   42 o   60.076   3.5393  441.724   49.987  419.500   70.651  464.000   70.733   57.325   5.2786   60.543   4.9921 -3.217869 7.265320 
1 1 1    1   10   43 o   44.978   2.8020  245.593   29.612  241.300   41.844  249.900   41.912   43.919   4.0815   44.743   4.0094 -0.8243408 5.721358 
1 1 1    1   10   44 o   51.244   3.1266  321.944   37.652  315.700   53.223  328.200   53.274   49.709   4.5859   50.767   4.4902 -1.058731 6.418189 
1 1 1    1   10   45 o   19.969   1.8141   48.061   8.4609   45.400   11.990   50.700   11.941   19.159   2.7272   20.321   2.5443 -1.162403 3.729716 
1 1 1    1   10   46 o   25.420   1.9845   77.996   11.818   79.000   16.749   77.000   16.677   25.297   2.8537   24.960   2.8826 0.3367424 4.056231 
1 1 1    1   10   47 o   11.956   1.6687   17.405   4.5827   18.600   6.4676   16.200   6.4944   12.213   2.3276   11.346   2.4921 0.8667583 3.410030 
1 1 1    1   10   48 o   14.591   1.6928   25.847   5.7239   26.900   8.1063   24.800   8.0834   14.690   2.4213   14.060   2.5276 0.6295481 3.500182 
1 1 1    1   10   49 o   44.873   2.8003  250.257   29.525  278.100   41.824  222.600   41.684   46.298   3.8608   40.871   4.3877 5.427345 5.844510 
1 1 1    1   10   50 o   21.180   1.8243   54.626   9.0351   62.700   12.837   46.700   12.719   22.434   2.4638   19.128   2.9074 3.305973 3.810972 
1 1 1    1   10   51 o   34.663   2.3655  149.044   19.247  161.300   27.282  136.900   27.157   35.273   3.3142   32.192   3.6363 3.081532 4.920063 
1 1 1    1   10   52 o   26.025   2.0543   83.400   12.522   83.200   17.704   83.600   17.713   25.416   3.0082   25.483   3.0011 -0.6663513E-01 4.249259 
1 1 1    1   10   53 o   17.239   2.6845   38.300   10.572   38.300   10.572   0.0000   0.0000   17.239   2.6845  ?   ?  0.000000 2.684489 
1 1 1    1   10   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11    0 o  271.482   21.096  8984.30  1333.58  8984.30  1333.58  8984.30  1333.58  271.482   21.096  271.482   21.096 0.000000 0.000000 
1 1 1    1   11    1 o  133.984   6.5018  2125.44  205.709  2602.70  292.424  1657.90  289.431  147.892   8.4082  117.608   10.533 30.28366 13.47783 
1 1 1    1   11    2 o  315.889   24.624 12299.10  1822.28 12299.10  1822.28   0.0000   0.0000  315.889   24.624  ?   ?  0.000000 24.62418 
1 1 1    1   11    3 o   51.787   4.4082  319.300   53.394  319.300   53.394   0.0000   0.0000   51.787   4.4082  ?   ?  0.000000 4.408214 
1 1 1    1   11    4 o  125.369   6.5785  1865.20  194.070  1742.50  273.793  1989.10  275.125  120.792   9.6802  129.191   9.0761 -8.398499 13.26964 
1 1 1    1   11    5 o  238.829   12.837  6809.38  721.307  7754.50  1019.79  5863.20  1020.37  253.866   17.111  219.831   19.871 34.03580 26.22351 
1 1 1    1   11    6 o  258.439   13.856  7977.91  842.533  8252.40  1190.42  7702.40  1192.62  261.429   19.422  252.292   20.188 9.136520 28.01383 
1 1 1    1   11    7 o  333.176   16.841 13300.06  1320.67 15539.60  1871.35 11077.90  1864.08  358.323   22.226  300.695   26.525 57.62817 34.60579 
1 1 1    1   11    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11    9 o  221.930   11.972  5868.25  625.057  6541.90  883.474  5193.10  884.455  233.531   16.120  207.458   18.240 26.07321 24.34190 
1 1 1    1   11   10 f  244.581   12.891  7135.28  741.860  6655.70  1048.80  7615.50  1049.49  234.761   19.084  251.573   17.781 -16.81233 26.08425 
1 1 1    1   11   11 f  183.828   9.7011  4018.64  419.620  4287.20  593.667  3750.50  593.199  189.297   13.367  176.808   14.331 12.48854 19.59770 
1 1 1    1   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   14 o   92.117   4.8154  1005.99  104.381  1155.00  147.873  858.000  147.363   98.581   6.3867   84.785   7.4356 13.79666 9.801932 
1 1 1    1   11   15 o  209.775   11.175  5255.19  551.549  5166.40  779.978  5344.00  780.039  206.738   16.104  210.365   15.819 -3.627029 22.57389 
1 1 1    1   11   16 o  405.526   22.099 20232.18  2108.17 20596.40  2981.87 19868.20  2980.92  400.741   31.772  392.925   32.417 7.815979 45.39048 
1 1 1    1   11   17 o  177.226   9.3649  3748.57  390.526  4067.00  552.526  3430.70  552.048  183.784   12.812  168.393   14.010 15.39122 18.98509 
1 1 1    1   11   18 o  284.689   14.944  9822.35  1001.08 10963.00  1416.68  8684.70  1414.82  297.647   20.277  263.039   23.010 34.60883 30.66917 
1 1 1    1   11   19 o  303.566   16.479 11270.07  1176.81 11483.40  1664.39 11056.80  1664.13  301.069   23.600  294.971   24.102 6.098389 33.73268 
1 1 1    1   11   20 o  340.073   18.555 14319.80  1484.42 15282.10  2099.89 13358.60  2098.69  343.756   26.063  319.022   28.148 24.73386 38.36108 
1 1 1    1   11   21 o   81.724   4.5274  793.308   87.029  802.300  123.022  784.300  123.132   81.943   6.4089   81.000   6.4922 0.9430313 9.122637 
1 1 1    1   11   22 o  116.065   6.2882  1605.06  171.699  1617.90  242.696  1592.20  242.941  116.000   8.9288  115.050   9.0145 0.9502335 12.68798 
1 1 1    1   11   23 o  110.292   5.9778  1449.00  155.104  1496.00  219.355  1402.00  219.345  111.603   8.3848  107.954   8.6778 3.648705 12.06691 
1 1 1    1   11   24 o  180.137   9.6902  3905.45  410.675  3931.60  580.791  3879.30  580.773  178.993   13.849  177.743   13.949 1.249146 19.65642 
1 1 1    1   11   25 o   84.966   4.7021  858.416   93.974  842.600  132.968  874.200  132.830   83.858   6.7727   85.450   6.6350 -1.592346 9.481196 
1 1 1    1   11   26 o   20.401   1.7927   49.550   8.5485   41.800   12.089   57.300   12.089   18.588   2.8449   21.889   2.3772 -3.301224 3.707315 
1 1 1    1   11   27 o   33.190   2.2464  130.800   17.502  131.900   24.752  129.700   24.752   33.235   3.1932   32.950   3.2224 0.2844734 4.536593 
1 1 1    1   11   28 o   99.909   5.3961  1190.48  126.833  1072.00  179.315  1309.10  179.423   94.176   8.1435  104.354   7.3277 -10.17847 10.95500 
1 1 1    1   11   29 o  109.897   5.8899  1444.34  152.290  1363.90  215.151  1525.10  215.590  105.995   8.6719  112.282   8.1876 -6.287277 11.92642 
1 1 1    1   11   30 o   41.492   2.6047  204.551   25.391  204.900   35.873  204.200   35.944   41.394   3.7094   41.320   3.7239 0.7356644E-01 5.256100 
1 1 1    1   11   31 o  138.150   7.4857  2314.52  243.290  2382.70  344.397  2246.60  343.731  138.357   10.622  134.113   10.949 4.243805 15.25535 
1 1 1    1   11   32 o   75.043   4.2127  673.349   74.348  718.700  105.146  628.000  105.143   77.109   5.8175   71.918   6.2535 5.190521 8.541073 
1 1 1    1   11   33 o   86.332   4.8030  896.147   97.528  884.200  137.907  908.100  137.943   84.932   6.9368   86.122   6.8393 -1.190613 9.741451 
1 1 1    1   11   34 o   62.155   3.5584  462.174   52.010  436.500   73.516  487.900   73.590   59.937   5.2471   63.488   4.9477 -3.550846 7.211980 
1 1 1    1   11   35 o   21.016   1.8156   52.700   8.9219   52.300   12.614   53.100   12.621   20.817   2.6245   20.981   2.6033 -0.1646595 3.696640 
1 1 1    1   11   36 o   75.969   4.2998  697.096   76.818  665.300  108.630  728.900  108.645   73.251   6.3428   76.865   6.0343 -3.613396 8.754631 
1 1 1    1   11   37 o   57.416   3.3708  395.904   45.501  388.000   64.364  403.800   64.333   56.319   4.8882   57.505   4.7810 -1.185802 6.837573 
1 1 1    1   11   38 o   16.333   1.7132   31.966   6.5093   40.500   9.1968   23.400   9.2143   18.338   2.1657   13.743   2.9289 4.594549 3.642597 
1 1 1    1   11   39 f   57.422   3.3947  397.663   45.826  406.900   64.761  388.400   64.854   57.488   4.8149   56.094   4.9468 1.393711 6.903246 
1 1 1    1   11   40 o   42.659   2.6753  218.545   26.812  223.600   37.937  213.500   37.900   42.793   3.7937   41.774   3.8867 1.018654 5.431226 
1 1 1    1   11   41 o   27.759   2.0333   92.323   13.235   99.100   18.755   85.600   18.681   28.581   2.8154   26.483   3.0425 2.098579 4.145265 
1 1 1    1   11   42 o   64.020   3.7782  505.000   56.863  486.100   80.416  523.900   80.416   61.293   5.6187   63.871   5.3820 -2.578609 7.780450 
1 1 1    1   11   43 o   36.048   2.4074  156.954   20.375  150.000   28.822  163.900   28.806   34.779   3.5596   36.450   3.3854 -1.670620 4.912394 
1 1 1    1   11   44 o   22.164   1.8762   59.154   9.7276   57.700   13.776   60.600   13.738   21.647   2.7577   22.219   2.6719 -0.5721531 3.839759 
1 1 1    1   11   45 o   32.582   2.2658  128.454   17.324  126.900   24.530  130.000   24.470   31.958   3.2979   32.375   3.2445 -0.4171124 4.626285 
1 1 1    1   11   46 o   39.580   2.5861  190.910   24.038  200.200   33.976  181.600   34.012   39.939   3.6427   37.892   3.8549 2.047169 5.303730 
1 1 1    1   11   47 o   24.286   1.9491   71.300   11.084   71.800   15.675   70.800   15.675   24.077   2.8098   23.898   2.8328 0.1793079 3.989970 
1 1 1    1   11   48 o   39.445   2.5846  191.192   23.940  200.100   33.873  182.300   33.841   39.594   3.6645   37.625   3.8637 1.969101 5.325102 
1 1 1    1   11   49 o   22.185   1.8887   59.837   9.7999   62.100   13.899   57.600   13.820   22.281   2.6967   21.401   2.8019 0.8797245 3.888761 
1 1 1    1   11   50 o   26.305   2.0007   84.610   12.334   96.000   17.514   73.400   17.374   27.642   2.7183   23.890   3.1571 3.751705 4.166124 
1 1 1    1   11   51 o   8.9737   1.7348   10.057   3.5430   5.8000   4.8804   14.800   5.1517   7.0746   2.4246   10.832   2.0897 -3.757813 3.200845 
1 1 1    1   11   52 o   15.111   1.7079   27.993   5.9871   22.200   8.3911   34.000   8.5451   13.038   2.8085   16.462   2.2576 -3.424588 3.603405 
1 1 1    1   11   53 f   10.200   2.5702   13.600   6.1879   13.600   6.1879   0.0000   0.0000   10.200   2.5702  ?   ?  0.000000 2.570197 
1 1 1    1   11   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   11   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12    1 o  170.843   9.0455  3469.36  363.614  3694.40  514.679  3245.10  513.778  175.794   12.480  164.550   13.337 11.24460 18.26539 
1 1 1    1   12    2 o  300.134   23.111 10963.60  1625.31 10963.60  1625.31   0.0000   0.0000  300.134   23.111  ?   ?  0.000000 23.11068 
1 1 1    1   12    3 o  261.444   20.012  8263.60  1226.08  8263.60  1226.08   0.0000   0.0000  261.444   20.012  ?   ?  0.000000 20.01198 
1 1 1    1   12    4 o  126.016   6.2149  1878.14  184.935  1606.30  260.444  2154.60  262.647  116.011   9.5932  134.629   8.3022 -18.61726 12.68689 
1 1 1    1   12    5 f  343.118   26.520 14397.10  2132.05 14397.10  2132.05   0.0000   0.0000  343.118   26.520  ?   ?  0.000000 26.52020 
1 1 1    1   12    6 o  356.933   18.834 15309.72  1581.83 14774.60  2233.76 15848.00  2240.35  347.230   27.467  360.122   26.532 -12.89124 38.18917 
1 1 1    1   12    7 o  185.330   10.111  4085.15  440.809  4521.60  622.725  3646.80  624.073  194.449   13.649  174.216   15.326 20.23357 20.52238 
1 1 1    1   12    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12    9 o  141.334   7.5093  2371.15  249.715  2878.90  353.221  1863.80  353.080  155.523   9.6659  124.641   12.151 30.88179 15.52656 
1 1 1    1   12   10 o  171.435   8.9833  3492.78  362.396  3348.60  511.242  3638.40  513.778  167.237   13.049  174.451   12.556 -7.213226 18.10899 
1 1 1    1   12   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   12 o   40.481   2.5461  194.316   24.215  179.900   34.204  208.800   34.286   38.836   3.7775   41.894   3.4978 -3.057308 5.148214 
1 1 1    1   12   13 o  208.617   11.103  5190.35  544.967  5202.10  770.632  5178.60  770.767  207.790   15.825  207.307   15.866 0.4828644 22.40852 
1 1 1    1   12   14 o  401.749   21.563 19711.97  2038.11 20894.30  2883.46 18531.50  2881.19  407.276   30.197  381.771   32.262 25.50543 44.18950 
1 1 1    1   12   15 o  357.477   19.071 15559.09  1604.01 14400.50  2267.38 16719.80  2269.46  337.483   28.725  365.583   26.468 -28.10089 39.06007 
1 1 1    1   12   16 o  290.966   15.570 10239.71  1065.90 10728.60  1507.78  9751.30  1507.03  294.519   21.836  280.029   22.994 14.49036 31.70965 
1 1 1    1   12   17 o   92.104   5.0367  1007.19  109.128  1039.20  154.361  975.200  154.301   93.316   7.0573   90.346   7.2948 2.970261 10.14989 
1 1 1    1   12   18 o  471.992   26.641 28560.15  2957.08 30025.80  4183.37 27096.50  4180.50  464.742   38.466  437.064   40.985 27.67798 56.20829 
1 1 1    1   12   19 o  161.049   8.6112  3100.38  326.293  2960.70  461.332  3240.20  461.564  156.271   12.609  163.713   12.024 -7.441727 17.42292 
1 1 1    1   12   20 o   59.675   3.4387  422.549   48.251  417.800   68.233  427.300   68.241   59.183   4.9272   59.863   4.8697 -0.6802368 6.927550 
1 1 1    1   12   21 o  150.127   7.9988  2694.59  282.537  2897.80  399.729  2491.70  399.407  154.860   11.003  143.255   11.915 11.60562 16.21828 
1 1 1    1   12   22 f   64.827   3.6362  498.825   55.438  528.900   78.499  468.900   78.304   66.604   5.0282   62.648   5.3443 3.956867 7.337857 
1 1 1    1   12   23 o   87.539   4.8150  911.089   99.150  926.300  140.271  895.900  140.168   87.969   6.8057   86.484   6.9216 1.484596 9.706969 
1 1 1    1   12   24 o  107.127   5.6144  1366.32  141.530  1492.40  200.455  1241.00  199.854  111.588   7.6537  101.544   8.4105 10.04405 11.37168 
1 1 1    1   12   25 o   55.829   3.2570  370.000   42.751  372.100   60.466  367.900   60.453   55.835   4.6278   55.514   4.6547 0.3217621 6.563704 
1 1 1    1   12   26 o  138.426   7.3946  2294.70  240.836  2115.50  340.495  2474.10  340.692  131.748   11.047  142.875   10.164 -11.12709 15.01148 
1 1 1    1   12   27 o  105.976   5.7716  1340.00  143.889  1438.80  203.489  1241.20  203.489  109.329   7.9362  101.334   8.5847 7.995087 11.69110 
1 1 1    1   12   28 o   74.901   4.1245  667.346   72.667  631.400  102.619  703.500  102.915   72.534   6.0464   76.651   5.7273 -4.116463 8.328335 
1 1 1    1   12   29 o   10.975   1.5971   14.531   4.0176   17.000   5.7044   12.100   5.6594   11.812   2.1233   9.9179   2.4345 1.893785 3.230358 
1 1 1    1   12   30 o  136.118   7.3911  2240.10  236.676  2054.70  334.668  2425.60  334.752  128.444   11.145  140.213   10.180 -11.76860 15.09413 
1 1 1    1   12   31 o  145.495   7.9782  2582.30  273.060  2585.70  386.248  2578.90  386.081  143.141   11.525  142.942   11.536 0.1986542 16.30683 
1 1 1    1   12   32 o   65.158   3.7124  506.940   56.883  522.100   80.470  491.800   80.419   65.773   5.2241   63.779   5.3902 1.993950 7.506368 
1 1 1    1   12   33 o   65.714   3.7538  516.646   58.007  527.500   82.047  505.800   82.021   65.975   5.3115   64.557   5.4309 1.417900 7.596503 
1 1 1    1   12   34 o   74.474   4.2019  666.695   73.593  679.500  104.095  653.900  104.058   74.526   5.9651   73.048   6.0880 1.478043 8.523268 
1 1 1    1   12   35 o   18.006   1.7318   38.747   7.2727   40.200   10.297   37.300   10.273   18.236   2.4535   17.537   2.5560 0.6997013 3.542977 
1 1 1    1   12   36 o   32.003   2.2092  122.150   16.592  109.700   23.465  134.600   23.465   30.113   3.3571   33.466   3.0013 -3.352699 4.503076 
1 1 1    1   12   37 o   35.123   2.3509  147.309   19.385  169.600   27.410  125.000   27.421   37.547   3.1198   32.064   3.6887 5.482330 4.831114 
1 1 1    1   12   38 o   49.757   2.9995  297.049   35.078  305.500   49.609  288.600   49.605   50.073   4.2353   48.611   4.3681 1.462116 6.084286 
1 1 1    1   12   39 o   66.814   3.8646  541.602   60.713  537.900   85.888  545.300   85.834   65.636   5.5949   66.118   5.5490 -0.4816055 7.879969 
1 1 1    1   12   40 o   82.274   4.6603  836.221   90.168  893.300  127.605  779.300  127.429   83.299   6.5399   77.250   7.0638 6.048294 9.626451 
1 1 1    1   12   41 o   28.018   2.0839   94.167   13.689   86.000   19.379  102.300   19.339   26.495   3.1598   29.016   2.8597 -2.520939 4.261730 
1 1 1    1   12   42 o   18.115   1.7524   39.449   7.4022   39.200   10.446   39.700   10.491   17.883   2.5455   18.000   2.5386 -0.1174469 3.595023 
1 1 1    1   12   43 o   58.837   3.5179  427.045   48.652  438.600   68.819  415.500   68.791   58.342   5.0450   56.628   5.2026 1.713943 7.247004 
1 1 1    1   12   44 o   42.166   2.6918  216.453   26.662  205.400   37.711  227.500   37.702   40.341   4.0120   42.619   3.7856 -2.278145 5.516058 
1 1 1    1   12   45 o   37.772   2.4831  173.294   22.025  177.600   31.170  169.000   31.125   37.708   3.5421   36.723   3.6371 0.9850616 5.076907 
1 1 1    1   12   46 o   37.248   2.4669  168.793   21.575  162.400   30.495  175.200   30.528   35.917   3.6462   37.408   3.4966 -1.491032 5.051805 
1 1 1    1   12   47 o   15.360   1.7012   28.576   6.0667   31.500   8.6151   25.700   8.5445   15.963   2.3563   14.312   2.6251 1.651449 3.527496 
1 1 1    1   12   48 o   14.370   1.6966   25.106   5.6459   24.600   8.0314   25.600   7.9385   13.989   2.5241   14.305   2.4376 -0.3152266 3.508992 
1 1 1    1   12   49 o   37.091   2.4959  169.749   21.733  170.800   30.752  168.700   30.718   36.356   3.6307   36.112   3.6525 0.2443314 5.150020 
1 1 1    1   12   50 o   14.280   1.7140   24.948   5.6641   25.500   8.0234   24.400   7.9971   14.182   2.4866   13.846   2.5395 0.3354483 3.554167 
1 1 1    1   12   51 o   26.250   2.0610   84.749   12.672   84.700   17.806   84.800   18.040   25.692   2.9909   25.679   3.0337 0.1338005E-01 4.260128 
1 1 1    1   12   52 o   21.755   1.9273   58.215   9.7983   53.500   13.880   62.900   13.834   20.298   2.9848   22.213   2.6924 -1.915100 4.019768 
1 1 1    1   12   53 o   16.596   2.7090   35.800   10.250   35.800   10.250   0.0000   0.0000   16.596   2.7090  ?   ?  0.000000 2.708993 
1 1 1    1   12   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   12   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13    1 o  360.348   27.913 15923.10  2356.65 15923.10  2356.65   0.0000   0.0000  360.348   27.913  ?   ?  0.000000 27.91334 
1 1 1    1   13    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13    5 f  274.334   11.621  8937.39  752.813  6376.70  1058.42 11559.20  1070.97  229.683   19.706  311.475   14.561 -81.79269 24.50179 
1 1 1    1   13    6 o  203.546   9.7228  4912.03  467.320  6474.90  661.958  3359.20  659.829  233.128   12.066  166.789   16.991 66.33942 20.83916 
1 1 1    1   13    7 o  383.885   20.223 17767.21  1826.76 17107.00  2578.50 18432.50  2588.40  372.326   29.571  387.133   28.515 -14.80756 41.08025 
1 1 1    1   13    8 o  204.491   11.107  4979.98  534.312  5341.80  754.609  4616.20  756.658  211.033   15.245  195.821   16.518 15.21265 22.47803 
1 1 1    1   13    9 o  319.926   15.385 12223.34  1162.28 10294.60  1637.47 14181.80  1650.04  290.304   24.105  342.528   20.494 -52.22357 31.63952 
1 1 1    1   13   10 o  192.909   10.429  4430.91  473.322  4781.00  668.842  4079.70  669.915  199.696   14.278  184.117   15.554 15.57895 21.11375 
1 1 1    1   13   11 o  381.960   20.637 17673.89  1854.47 17954.60  2619.88 17392.00  2625.37  380.094   29.419  373.689   30.005 6.404602 42.02102 
1 1 1    1   13   12 o  311.857   16.651 11705.82  1221.75 11233.80  1727.66 12178.00  1727.96  302.201   24.419  315.232   23.380 -13.03067 33.80708 
1 1 1    1   13   13 o  164.496   8.7481  3220.53  338.586  3126.60  478.649  3314.60  479.017  161.365   12.663  166.252   12.289 -4.887268 17.64581 
1 1 1    1   13   14 o  309.667   16.333 11587.93  1190.09 12599.40  1683.98 10578.70  1682.11  319.741   22.446  291.588   24.661 28.15359 33.34653 
1 1 1    1   13   15 o  186.099   9.9448  4136.17  435.438  4035.50  615.858  4236.80  615.748  182.678   14.393  187.316   14.023 -4.637299 20.09486 
1 1 1    1   13   16 o  171.553   9.1558  3513.80  369.558  3350.20  522.549  3677.50  522.718  166.441   13.409  174.617   12.766 -8.175751 18.51392 
1 1 1    1   13   17 f   77.653   4.2921  715.606   78.397  681.700  110.797  749.600  110.943   75.560   6.2663   79.297   5.9687 -3.736938 8.654013 
1 1 1    1   13   18 o  103.288   5.6163  1268.34  136.466  1331.90  193.000  1204.80  192.984  105.522   7.8008  100.259   8.2239 5.263611 11.33514 
1 1 1    1   13   19 o  112.429   6.0615  1504.20  160.330  1608.90  226.797  1399.60  226.686  115.893   8.3432  107.924   8.9764 7.968842 12.25500 
1 1 1    1   13   20 o  131.335   6.9918  2057.08  216.055  2219.50  305.710  1895.00  305.384  135.854   9.5912  125.268   10.418 10.58665 14.16109 
1 1 1    1   13   21 o   68.332   3.8365  554.317   61.654  520.200   87.149  588.500   87.233   65.972   5.6488   70.247   5.2979 -4.275009 7.744416 
1 1 1    1   13   22 o  142.311   7.4681  2420.04  250.086  2655.70  354.021  2185.30  353.330  148.362   10.166  134.183   11.255 14.17879 15.16691 
1 1 1    1   13   23 o  111.426   5.5103  1473.72  144.986  1778.60  205.440  1171.20  204.644  121.983   7.1637   98.532   8.8913 23.45102 11.41811 
1 1 1    1   13   24 f   83.304   4.5878  824.981   89.899  921.500  127.149  728.500  127.124   87.825   6.1702   77.897   6.9853 9.928909 9.320172 
1 1 1    1   13   25 o  175.600   9.4121  3715.13  388.857  3626.50  549.546  3804.00  550.309  171.597   13.676  175.940   13.345 -4.343414 19.10822 
1 1 1    1   13   26 o  156.204   8.4762  2933.64  311.480  3043.30  440.325  2823.80  440.673  157.747   11.909  151.696   12.411 6.051178 17.20007 
1 1 1    1   13   27 o   57.970   3.3589  399.201   45.782  388.600   64.748  409.800   64.744   57.001   4.8567   58.566   4.7217 -1.565292 6.773617 
1 1 1    1   13   28 o   31.483   2.1717  117.741   16.046  124.400   22.708  111.100   22.678   32.278   3.0142   30.465   3.2002 1.813560 4.396227 
1 1 1    1   13   29 o   82.349   4.5681  808.894   88.482  823.300  125.159  794.500  125.105   82.666   6.4631   81.168   6.5840 1.498459 9.226099 
1 1 1    1   13   30 o   67.348   3.8027  540.479   60.229  571.800   85.204  509.200   85.148   68.995   5.2696   65.012   5.6012 3.982529 7.690381 
1 1 1    1   13   31 o   77.604   4.3470  720.253   79.338  710.400  112.216  730.100  112.187   76.548   6.2629   77.638   6.1702 -1.089775 8.791805 
1 1 1    1   13   32 o   27.075   2.0146   87.249   12.788   88.700   18.090   85.800   18.079   27.190   2.8603   26.729   2.9114 0.4609566 4.081407 
1 1 1    1   13   33 o   73.039   4.0765  639.732   70.028  694.400   99.096  585.200   98.973   75.603   5.5904   69.174   6.1224 6.429192 8.290782 
1 1 1    1   13   34 o   66.393   3.7643  528.810   58.773  576.700   83.152  481.000   83.082   68.881   5.1495   62.678   5.6750 6.203041 7.663074 
1 1 1    1   13   35 f  118.304   6.6338  1732.65  184.574  1716.00  260.983  1749.30  261.070  114.759   9.7222  115.985   9.6190 -1.226616 13.67648 
1 1 1    1   13   36 o   11.875   1.6757   17.031   4.5681   20.700   6.4337   13.300   6.4873   13.034   2.1664   10.374   2.6413 2.660517 3.416098 
1 1 1    1   13   37 o   66.530   3.8146  534.181   59.677  501.600   84.372  566.800   84.421   63.633   5.6746   67.862   5.3106 -4.228516 7.771949 
1 1 1    1   13   38 o   51.545   3.0901  319.249   37.438  316.900   52.932  321.600   52.958   50.885   4.4499   51.277   4.4168 -0.3919144 6.269742 
1 1 1    1   13   39 o   58.302   3.4353  410.806   47.086  429.800   66.580  391.800   66.599   58.992   4.8216   56.175   5.0755 2.817440 7.000648 
1 1 1    1   13   40 o   42.811   2.6895  220.548   27.051  205.600   38.253  235.500   38.258   40.857   4.0168   43.872   3.7282 -3.014793 5.480369 
1 1 1    1   13   41 o   25.992   1.9924   81.048   12.136   83.400   17.169   78.700   17.156   26.165   2.8236   25.384   2.9152 0.7817287 4.058443 
1 1 1    1   13   42 o   22.561   1.8941   61.166   9.9973   58.100   14.175   64.200   14.102   21.752   2.8264   22.932   2.6532 -1.179474 3.876626 
1 1 1    1   13   43 o   19.410   1.7692   45.327   8.0199   51.600   11.363   39.100   11.321   20.573   2.3830   17.761   2.7915 2.812050 3.670312 
1 1 1    1   13   44 f   43.293   2.7417  228.448   27.883  230.200   39.454  226.700   39.413   42.753   3.9528   42.404   3.9827 0.3485489 5.611320 
1 1 1    1   13   45 o   59.672   3.5955  443.947   50.426  465.400   71.319  422.500   71.308   59.521   5.1242   56.360   5.4251 3.161755 7.462511 
1 1 1    1   13   46 o   13.389   1.6666   21.740   5.1551   15.800   7.2844   27.700   7.2965   11.168   2.7746   15.033   2.1139 -3.865051 3.488096 
1 1 1    1   13   47 o   47.530   2.9517  279.510   32.964  261.500   46.567  297.600   46.671   44.679   4.4740   47.997   4.1589 -3.318729 6.108419 
1 1 1    1   13   48 o   26.524   1.9972   85.491   12.417  100.100   17.597   71.000   17.525   28.416   2.6531   23.621   3.2263 4.795284 4.177108 
1 1 1    1   13   49 o   6.9417   1.7107   6.0297   2.7862   7.8000   3.9081   4.2000   3.9732   7.8704   2.0738   6.2080   2.1842 1.662388 3.011842 
1 1 1    1   13   50 o   9.7930   1.7202   11.907   3.8328   10.900   5.4383   12.900   5.4026   9.2248   2.4538   10.050   2.3231 -0.8251514 3.379035 
1 1 1    1   13   51 o   12.662   1.7322   19.744   5.0434   20.800   6.9953   18.600   7.2780   12.778   2.4066   11.990   2.6419 0.7886295 3.573686 
1 1 1    1   13   52 o   14.137   1.7781   24.655   5.8047   29.900   8.2445   19.500   8.1742   15.366   2.3466   12.153   2.8905 3.212897 3.723161 
1 1 1    1   13   53 o   6.6201   2.3347   5.0000   4.5422   5.0000   4.5422   0.0000   0.0000   6.6201   2.3347  ?   ?  0.000000 2.334691 
1 1 1    1   13   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   13   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14    0 o  223.471   17.250  6037.90  897.774  6037.90  897.774  6037.90  897.774  223.471   17.250  223.471   17.250 0.000000 0.000000 
1 1 1    1   14    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14    2 o  251.967   19.274  7659.50  1138.09  7659.50  1138.09   0.0000   0.0000  251.967   19.274  ?   ?  0.000000 19.27417 
1 1 1    1   14    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14    4 o  131.763   6.4055  2053.59  199.299  2547.70  282.967  1567.20  280.749  146.446   8.2159  114.455   10.505 31.99099 13.33626 
1 1 1    1   14    5 o   42.239   2.6584  211.549   26.380  214.200   37.311  208.900   37.303   42.413   3.7645   41.876   3.8142 0.5366707 5.359075 
1 1 1    1   14    6 o  267.984   13.582  8573.33  856.644  7786.30  1208.18  9369.00  1214.80  253.600   20.347  278.882   18.553 -25.28166 27.53528 
1 1 1    1   14    7 o   90.457   5.2090  970.560  110.795  1123.20  156.326  816.500  157.052   97.185   6.8559   82.629   8.1555 14.55592 10.65434 
1 1 1    1   14    8 o  228.485   12.083  6225.89  649.605  6099.60  917.381  6352.90  919.985  224.946   17.406  229.681   17.085 -4.735214 24.38995 
1 1 1    1   14    9 o  322.923   16.771 12527.03  1274.48 11647.20  1799.36 13412.80  1805.42  308.151   24.942  331.624   23.201 -23.47357 34.06488 
1 1 1    1   14   10 o   30.740   2.3039  112.226   16.602  147.200   23.371   76.600   23.588   35.187   2.8368   25.132   4.1172 10.05464 4.999856 
1 1 1    1   14   11 o  163.396   8.7571  3176.24  336.649  3205.60  475.399  3146.70  476.791  163.534   12.403  161.984   12.563 1.549789 17.65437 
1 1 1    1   14   12 o  134.493   6.7870  2148.01  214.849  1916.70  302.426  2383.70  305.280  126.546   10.207  141.374   9.1946 -14.82808 13.73803 
1 1 1    1   14   13 o  184.033   8.5127  4021.68  369.936  3166.10  520.935  4892.10  525.432  161.992   13.748  202.288   11.042 -40.29633 17.63324 
1 1 1    1   14   14 o  278.878   14.968  9389.80  982.067  9495.50  1388.85  9284.10  1388.86  277.315   21.374  274.047   21.638 3.267853 30.41453 
1 1 1    1   14   15 o  335.491   18.209 13766.08  1437.14 13908.80  2032.57 13623.40  2032.27  331.208   26.202  327.517   26.505 3.691650 37.27034 
1 1 1    1   14   16 o  184.278   9.7524  4063.33  422.861  4452.30  598.258  3675.00  597.774  191.858   13.287  173.744   14.708 18.11369 19.82114 
1 1 1    1   14   17 o   76.172   4.2225  688.669   75.653  730.400  107.030  647.000  106.949   78.272   5.8326   73.591   6.2125 4.681732 8.521410 
1 1 1    1   14   18 o  170.180   9.1234  3467.14  365.292  3487.30  516.783  3447.00  516.419  169.482   13.012  168.468   13.084 1.013458 18.45289 
1 1 1    1   14   19 o  156.775   8.3108  2939.03  306.570  3137.00  433.855  2741.60  433.257  161.080   11.481  150.264   12.319 10.81639 16.83954 
1 1 1    1   14   20 o  255.785   13.687  7970.73  823.722  8761.10  1165.37  7181.60  1164.46  264.680   18.768  237.902   20.942 26.77824 28.12082 
1 1 1    1   14   21 f  240.586   11.614  6985.57  659.829  8191.40  936.443  5796.60  929.870  257.980   15.443  214.949   18.500 43.03145 24.09867 
1 1 1    1   14   22 o  161.401   8.6721  3124.16  329.306  3205.70  465.828  3042.70  465.589  162.267   12.247  157.930   12.589 4.336884 17.56381 
1 1 1    1   14   23 o   87.428   4.9156  909.202  101.071  973.300  142.712  844.700  143.160   90.181   6.7507   83.876   7.3009 6.304771 9.943575 
1 1 1    1   14   24 o  189.602   10.378  4344.29  462.880  4574.20  653.988  4113.50  655.237  192.506   14.493  182.000   15.391 10.50563 21.14050 
1 1 1    1   14   25 o   72.393   3.7852  622.307   64.483  736.500   91.431  509.300   90.955   78.626   4.9498   65.167   5.9773 13.45879 7.760729 
1 1 1    1   14   26 o  127.739   6.9086  1953.35  207.614  1960.30  293.647  1946.40  293.574  127.071   9.8636  126.605   9.8986 0.4656906 13.97399 
1 1 1    1   14   27 o   32.750   2.2032  127.372   16.939  135.600   23.997  119.200   23.915   33.711   3.0475   31.563   3.2554 2.147785 4.459245 
1 1 1    1   14   28 o   90.096   4.9513  968.638  104.935  997.700  148.431  939.600  148.370   90.980   6.9619   88.216   7.1850 2.763229 10.00457 
1 1 1    1   14   29 o  133.385   7.1132  2147.26  223.236  2009.30  315.375  2285.80  316.034  127.353   10.583  136.279   9.8880 -8.926277 14.48349 
1 1 1    1   14   30 o   38.316   2.4626  174.547   22.163  176.700   31.367  172.400   31.320   38.420   3.4957   37.939   3.5368 0.4806862 4.972768 
1 1 1    1   14   31 o  131.462   7.1891  2107.13  222.325  2019.20  314.294  2195.20  314.538  126.348   10.633  132.148   10.158 -5.799568 14.70504 
1 1 1    1   14   32 o  111.337   6.1543  1506.60  161.172  1493.60  227.938  1519.60  227.925  109.168   8.9201  110.178   8.8349 -1.010773 12.55484 
1 1 1    1   14   33 o   56.380   3.2807  379.876   43.488  347.900   61.479  411.900   61.524   53.540   4.9178   58.417   4.4946 -4.876743 6.662283 
1 1 1    1   14   34 o   72.621   4.0992  634.810   70.007  617.200   98.893  652.500   99.119   70.854   5.9662   72.942   5.8026 -2.087357 8.322596 
1 1 1    1   14   35 o   68.366   3.9111  562.750   62.878  563.400   88.917  562.100   88.928   67.721   5.6108   67.639   5.6186 0.8211517E-01 7.940424 
1 1 1    1   14   36 o   53.079   3.1097  337.651   38.807  307.600   54.836  367.800   54.926   50.179   4.6819   55.058   4.2578 -4.878948 6.328457 
1 1 1    1   14   37 o   30.181   2.1446  108.754   15.185  101.700   21.480  115.800   21.469   28.982   3.1915   30.996   2.9695 -2.014093 4.359314 
1 1 1    1   14   38 o  120.742   6.8632  1852.71  194.870  1719.50  275.445  1986.20  275.731  110.996   10.639  120.801   9.7492 -9.804672 14.43070 
1 1 1    1   14   39 o   31.058   2.1744  115.444   15.846  121.800   22.421  109.100   22.398   31.709   3.0312   29.946   3.2179 1.762880 4.420810 
1 1 1    1   14   40 o   27.236   2.0368   88.900   13.005   90.400   18.395   87.400   18.389   27.263   2.9020   26.787   2.9564 0.4759178 4.142683 
1 1 1    1   14   41 o   27.164   2.0117   88.573   12.812   97.400   18.147   79.800   18.092   28.298   2.7504   25.495   3.0666 2.803041 4.119303 
1 1 1    1   14   42 o   64.486   3.7587  514.537   56.987  438.500   80.558  590.700   80.625   57.509   6.0214   67.869   5.0673 -10.36076 7.869860 
1 1 1    1   14   43 o   41.389   2.6395  208.092   25.662  192.600   36.283  223.600   36.300   39.121   3.9832   42.372   3.6641 -3.250965 5.412156 
1 1 1    1   14   44 o   34.248   2.3308  142.000   18.738  142.300   26.509  141.700   26.489   33.842   3.3618   33.767   3.3669 0.7450104E-01 4.757924 
1 1 1    1   14   45 o   44.327   2.7755  240.178   28.905  259.900   40.900  220.500   40.855   45.421   3.8496   41.552   4.2225 3.868797 5.713912 
1 1 1    1   14   46 o   52.210   3.2182  337.957   39.482  346.800   55.815  329.100   55.858   51.612   4.6289   50.121   4.7774 1.491306 6.652103 
1 1 1    1   14   47 o   17.179   1.7352   35.747   6.9423   37.500   9.8272   34.000   9.8087   17.387   2.4624   16.494   2.6049 0.8930836 3.584578 
1 1 1    1   14   48 o   5.8696   1.6296   4.2579   2.3388   5.4000   3.2962   3.1000   3.3189   6.6309   1.9650   5.5088   1.9898 1.122147 2.796512 
1 1 1    1   14   49 o   26.543   2.0217   86.113   12.577   93.900   17.829   78.400   17.744   27.310   2.8045   24.762   3.1026 2.547394 4.182269 
1 1 1    1   14   50 o   14.217   1.7016   24.749   5.5990   25.000   7.9364   24.500   7.9001   14.022   2.4880   13.872   2.5040 0.1503353 3.529898 
1 1 1    1   14   51 o   13.655   1.6782   22.863   5.2976   19.400   7.3536   26.600   7.6384   12.253   2.6209   14.526   2.3037 -2.273370 3.489408 
1 1 1    1   14   52 o   10.866   2.0222   14.913   4.9978   20.500   6.7423   8.1000   7.4459   12.668   2.3402   8.3470   2.9843 4.320541 3.792454 
1 1 1    1   14   53 o  ?   ?   -8.4000   0.8471  -8.4000   0.8471   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    1   14   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15    0 o   83.134   6.6974  832.600  129.514  832.600  129.514  832.600  129.514   83.134   6.6974   83.134   6.6974 -0.000000 0.000000 
1 1 1    1   15    1 o  161.280   7.9210  3079.98  301.664  3723.40  427.916  2444.30  425.331  176.857   10.291  142.794   12.748 34.06259 16.38346 
1 1 1    1   15    2 o  278.691   21.401  9416.20  1397.60  9416.20  1397.60   0.0000   0.0000  278.691   21.401  ?   ?  0.000000 21.40069 
1 1 1    1   15    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15    4 o  183.168   7.3333  3971.45  317.184  5538.20  452.635  2459.80  444.603  216.174   8.8671  143.133   13.307 73.04115 15.99053 
1 1 1    1   15    5 o  340.376   18.113 13936.36  1450.56 14612.40  2053.07 13262.50  2049.74  345.558   25.337  328.511   26.653 17.04721 36.77449 
1 1 1    1   15    6 o  250.442   13.324  7492.50  785.111  7373.00  1109.39  7612.40  1111.24  246.902   19.179  250.989   18.888 -4.087250 26.91807 
1 1 1    1   15    7 o  299.807   16.307 10791.67  1150.12 11977.50  1625.41  9602.60  1627.63  313.782   22.077  279.650   24.909 34.13208 33.28436 
1 1 1    1   15    8 o  239.811   12.970  6872.94  731.726  7291.20  1033.78  6453.00  1035.86  245.693   17.943  230.685   19.190 15.00821 26.27160 
1 1 1    1   15    9 o  227.422   12.043  6176.55  644.440  6077.70  909.530  6276.20  913.234  224.242   17.311  227.961   17.090 -3.718796 24.32512 
1 1 1    1   15   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15   11 o   82.323   4.5985  803.890   89.034  825.700  125.656  781.900  126.171   83.252   6.4420   80.975   6.6575 2.276947 9.263950 
1 1 1    1   15   12 o  119.397   6.4165  1693.63  180.245  1660.40  254.453  1727.10  255.358  117.827   9.2188  120.210   9.0626 -2.382462 12.92741 
1 1 1    1   15   13 o  275.253   14.780  9146.44  957.153  9126.70  1351.63  9166.30  1355.61  271.825   21.226  272.408   21.242 -0.5831909 30.02946 
1 1 1    1   15   14 o  161.375   8.7224  3107.28  331.147  3250.50  467.945  2963.60  468.681  164.269   12.150  156.644   12.782 7.624710 17.63519 
1 1 1    1   15   15 o  242.872   12.963  7115.70  740.743  6708.60  1047.24  7523.30  1047.90  232.864   19.217  247.318   18.068 -14.45398 26.37696 
1 1 1    1   15   16 o   10.107   1.3464   12.278   3.1335   27.400   4.5383  -1.5000   4.3319   15.178   1.2781   4.5816   2.0274 10.59686 2.396630 
1 1 1    1   15   17 f   71.882   4.0229  613.272   68.010  623.200   96.565  603.500   95.801   72.274   5.7046   71.108   5.7548 1.165344 8.103057 
1 1 1    1   15   18 o  209.800   11.066  5301.86  546.263  5871.30  772.970  4733.70  772.096  219.014   15.037  195.646   16.878 23.36861 22.60464 
1 1 1    1   15   19 o  187.963   10.248  4250.51  453.144  3930.00  641.304  4570.10  640.381  178.655   15.351  193.335   14.125 -14.68015 20.86029 
1 1 1    1   15   20 o  217.265   11.708  5712.36  598.471  5546.80  846.272  5878.00  846.460  211.200   17.116  217.779   16.585 -6.578857 23.83295 
1 1 1    1   15   21 o  155.326   8.3297  2889.89  304.404  3450.70  430.534  2329.30  430.450  168.957   10.849  137.793   13.399 31.16461 17.23993 
1 1 1    1   15   22 o  115.429   6.3501  1588.98  172.420  1699.20  243.582  1478.30  244.096  118.861   8.7398  110.650   9.4322 8.210648 12.85883 
1 1 1    1   15   23 o   32.178   2.2158  122.944   16.734  117.500   23.652  128.400   23.679   31.349   3.2419   32.803   3.0934 -1.453859 4.480973 
1 1 1    1   15   24 o   37.502   2.3526  166.890   20.728  185.900   29.400  148.100   29.229   39.513   3.1779   35.192   3.5665 4.320412 4.776915 
1 1 1    1   15   25 o   33.125   2.2570  130.295   17.549  131.600   24.863  129.000   24.774   33.194   3.2121   32.859   3.2348 0.3351936 4.558681 
1 1 1    1   15   26 o  118.382   6.3098  1675.69  175.749  1577.60  248.288  1774.20  248.806  114.012   9.3035  121.131   8.7574 -7.119286 12.77683 
1 1 1    1   15   27 o   34.215   2.2813  139.043   18.326  147.300   25.928  130.800   25.905   35.129   3.1595   33.060   3.3652 2.069065 4.615961 
1 1 1    1   15   28 o   61.620   3.5342  451.742   51.210  445.400   72.379  458.100   72.464   60.938   5.0761   61.819   5.0071 -0.8808861 7.130063 
1 1 1    1   15   29 o  106.779   5.8674  1369.82  147.375  1388.50  208.298  1351.10  208.542  106.580   8.3431  105.069   8.4775 1.510956 11.89436 
1 1 1    1   15   30 o   62.362   3.5828  463.750   52.538  467.500   74.304  460.000   74.296   62.304   5.0950   61.789   5.1387 0.5154991 7.236386 
1 1 1    1   15   31 o   47.910   2.7820  273.246   31.338  317.900   44.396  228.900   44.242   51.542   3.6717   43.559   4.3598 7.983055 5.699898 
1 1 1    1   15   32 o   37.003   2.4269  163.062   21.088  169.300   29.795  156.800   29.850   37.555   3.3965   36.103   3.5472 1.451851 4.911086 
1 1 1    1   15   33 o   78.919   4.3918  750.248   81.520  818.700  115.331  681.900  115.242   81.757   6.0162   74.283   6.6399 7.473465 8.960059 
1 1 1    1   15   34 o   40.775   2.5817  198.400   24.729  195.800   34.974  201.000   34.969   40.277   3.7193   40.824   3.6666 -0.5478287 5.222772 
1 1 1    1   15   35 o   28.584   2.0647   97.437   13.843  105.000   19.593   89.900   19.559   29.553   2.8428   27.276   3.0913 2.276220 4.199699 
1 1 1    1   15   36 o  102.653   5.7845  1300.84  139.644  1323.00  197.531  1278.70  197.442  101.204   8.3399   99.323   8.5002 1.880714 11.90833 
1 1 1    1   15   37 o   14.551   1.6484   25.414   5.5639   29.900   7.9010   21.000   7.8366   15.712   2.1891   13.043   2.6352 2.669078 3.425822 
1 1 1    1   15   38 o   70.713   3.9258  607.081   65.295  688.900   92.437  525.600   92.246   74.527   5.2868   64.519   6.1284 10.00893 8.093710 
1 1 1    1   15   39 o   48.479   2.9450  283.339   33.554  263.700   47.439  303.000   47.465   46.177   4.4040   49.677   4.0824 -3.500328 6.005120 
1 1 1    1   15   40 o   19.213   1.7321   44.254   7.7741   51.500   11.029   37.100   10.959   20.628   2.3036   17.361   2.7661 3.266760 3.599692 
1 1 1    1   15   41 o   17.131   1.7297   35.299   6.9014   35.500   9.7887   35.100   9.7316   17.011   2.5125   16.913   2.5131 0.9816360E-01 3.553624 
1 1 1    1   15   42 o   21.884   1.8712   57.610   9.5766   49.100   13.551   66.100   13.535   19.901   2.9749   23.293   2.4999 -3.392319 3.885834 
1 1 1    1   15   43 o   37.837   2.4775  173.538   22.014  185.900   31.147  161.200   31.116   38.710   3.4435   35.880   3.7270 2.830368 5.074273 
1 1 1    1   15   44 o   31.130   2.2018  117.146   16.081  109.200   22.735  125.100   22.748   29.621   3.3068   31.837   3.0636 -2.215847 4.507849 
1 1 1    1   15   45 o   11.097   1.6969   15.042   4.3053   18.500   6.0522   11.500   6.1258   12.222   2.1768   9.5763   2.6290 2.646073 3.413179 
1 1 1    1   15   46 o   15.337   1.7107   28.491   6.0898   31.800   8.6243   25.200   8.6004   16.048   2.3451   14.159   2.6701 1.888318 3.553739 
1 1 1    1   15   47 o   12.566   1.6687   19.249   4.8292   19.600   6.8423   18.900   6.8169   12.490   2.4072   12.251   2.4422 0.2394972 3.429148 
1 1 1    1   15   48 o   18.667   1.7932   42.351   7.8071   43.000   11.031   41.700   11.051   18.534   2.5913   18.226   2.6450 0.3079433 3.702817 
1 1 1    1   15   49 o   18.993   1.7749   43.951   7.8680   51.000   11.167   37.000   11.088   20.234   2.3827   16.994   2.8650 3.240273 3.726285 
1 1 1    1   15   50 o   19.068   1.8114   44.455   8.0580   50.300   11.391   38.600   11.401   20.018   2.4617   17.306   2.8917 2.711290 3.797638 
1 1 1    1   15   51 o   2.9146   1.2590  -0.1648   1.5844  -0.2000   1.9689  -0.1000   2.6690   3.2451   1.4026   3.8249   1.6430 -0.5797737 2.160237 
1 1 1    1   15   52 o   20.962   1.8120   54.009   8.8809   44.100   12.413   64.400   12.712   18.333   2.9689   22.569   2.4231 -4.236609 3.832145 
1 1 1    1   15   53 o   10.783   2.5964   15.500   6.5318   15.500   6.5318   0.0000   0.0000   10.783   2.5964  ?   ?  0.000000 2.596381 
1 1 1    1   15   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   15   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16    0 o  204.274   15.809  5044.80  752.063  5044.80  752.063  5044.80  752.063  204.274   15.809  204.274   15.809 -0.000000 0.000000 
1 1 1    1   16    1 o  161.082   8.5322  3083.31  323.383  2845.60  456.962  3321.80  457.705  154.116   12.669  166.758   11.698 -12.64215 17.24319 
1 1 1    1   16    2 o  236.504   12.562  6675.36  699.056  7162.80  988.904  6188.50  988.324  243.875   17.284  226.217   18.669 17.65862 25.44118 
1 1 1    1   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16    4 o  347.211   14.863 14399.85  1218.58  9691.40  1713.87 19213.70  1732.95  280.380   26.190  399.861   18.353 -119.4813 31.98022 
1 1 1    1   16    5 o  293.299   15.623 10319.97  1078.14 10766.30  1525.55  9874.60  1523.90  297.371   21.879  284.318   22.892 13.05219 31.66597 
1 1 1    1   16    6 o  124.246   5.2127  1825.45  152.935  2506.30  218.114  1167.00  214.497  145.530   6.3470   98.743   9.3091 46.78639 11.26694 
1 1 1    1   16    7 o  129.911   6.5664  2002.92  200.781  1606.40  283.123  2404.10  284.779  115.795   10.468  142.129   8.5246 -26.33480 13.49955 
1 1 1    1   16    8 o  288.771   14.988 10016.93  1018.54  9355.10  1437.12 10684.90  1443.77  276.222   22.221  295.975   20.790 -19.75302 30.42984 
1 1 1    1   16    9 o  181.076   9.4853  3906.82  404.165  3724.60  570.284  4090.70  572.876  175.880   13.843  184.519   13.236 -8.639099 19.15260 
1 1 1    1   16   10 o  304.050   16.090 11165.22  1151.08 10729.90  1625.30 11603.30  1630.45  294.300   23.586  306.641   22.678 -12.34045 32.71966 
1 1 1    1   16   11 o  122.010   6.6857  1769.56  191.887  1859.70  270.913  1678.80  271.827  124.710   9.2657  118.360   9.8143 6.350029 13.49722 
1 1 1    1   16   12 o   44.352   2.7384  233.306   28.539  234.800   40.281  231.800   40.441   44.394   3.8815   44.103   3.9242 0.2911835 5.519535 
1 1 1    1   16   13 o  318.297   17.503 12377.17  1310.51 12949.30  1851.38 11802.60  1855.31  320.406   24.659  304.713   26.035 15.69318 35.85926 
1 1 1    1   16   14 o  117.644   6.3245  1646.27  175.049  1613.10  247.092  1679.70  248.025  115.990   9.0943  118.405   8.9366 -2.415031 12.75027 
1 1 1    1   16   15 o   79.813   4.4576  756.301   83.675  758.100  118.288  754.500  118.380   79.682   6.3390   79.489   6.3601 0.1937408 8.979650 
1 1 1    1   16   16 o  180.992   9.7072  3926.80  413.361  3943.40  585.489  3910.30  583.677  179.975   13.884  179.208   13.902 0.7677917 19.64736 
1 1 1    1   16   17 o   85.404   4.7172  866.508   94.762  915.500  134.003  817.500  134.025   87.553   6.5286   82.643   6.9318 4.909523 9.522169 
1 1 1    1   16   18 o   93.600   4.8119  1040.75  105.995  899.100  149.351  1184.50  150.455   86.601   7.3735   99.646   6.4285 -13.04436 9.782363 
1 1 1    1   16   19 o   52.024   3.0389  321.112   37.170  306.800   52.318  335.700   52.818   50.706   4.4135   53.077   4.2499 -2.370720 6.126989 
1 1 1    1   16   20 o   49.401   2.9567  289.594   34.333  270.000   48.546  309.200   48.561   47.546   4.3729   50.943   4.0709 -3.396870 5.974494 
1 1 1    1   16   21 o  125.522   6.6600  1879.72  196.699  2085.20  278.362  1674.80  277.987  131.677   9.0065  117.654   10.104 14.02317 13.53537 
1 1 1    1   16   22 o   92.323   5.0166  1013.92  108.954  1097.50  154.157  930.500  154.013   95.763   6.8627   88.019   7.4810 7.743935 10.15190 
1 1 1    1   16   23 o  214.855   11.645  5611.10  588.592  5633.10  832.485  5589.10  832.304  212.078   16.760  211.194   16.829 0.8839722 23.75095 
1 1 1    1   16   24 o   61.752   3.5444  452.901   51.467  456.900   72.781  448.900   72.790   61.842   5.0275   61.288   5.0753 0.5542526 7.143812 
1 1 1    1   16   25 o  106.770   5.8163  1360.80  146.088  1353.50  206.527  1368.10  206.673  105.880   8.3276  106.465   8.2861 -0.5848312 11.74764 
1 1 1    1   16   26 o  189.952   10.200  4393.02  455.844  4790.50  644.972  3996.30  644.348  195.785   14.044  177.666   15.514 18.11819 20.92681 
1 1 1    1   16   27 o   97.270   5.2373  1130.28  119.854  1061.50  169.294  1199.40  169.704   93.610   7.7278   99.685   7.2593 -6.074715 10.60268 
1 1 1    1   16   28 o   59.866   3.4233  426.468   48.192  454.500   68.193  398.500   68.115   61.597   4.7243   57.591   5.0601 4.006229 6.922654 
1 1 1    1   16   29 o   68.156   3.8490  554.080   61.693  519.500   87.222  588.700   87.272   65.589   5.6880   69.942   5.3241 -4.353516 7.790972 
1 1 1    1   16   30 o  113.587   6.2110  1561.99  165.960  1526.70  234.493  1597.40  234.914  110.779   9.0431  113.457   8.8380 -2.677963 12.64468 
1 1 1    1   16   31 o   78.583   4.4003  741.241   81.325  754.200  115.049  728.300  114.972   78.625   6.2482   77.210   6.3627 1.415741 8.917636 
1 1 1    1   16   32 o   68.287   3.8873  559.148   62.424  579.800   88.286  538.500   88.276   69.035   5.4603   66.435   5.6817 2.600525 7.880188 
1 1 1    1   16   33 o   60.397   3.5037  437.199   49.755  434.200   70.354  440.200   70.374   59.719   5.0360   60.146   5.0003 -0.4267883 7.096808 
1 1 1    1   16   34 o   82.903   4.6709  832.852   91.068  851.900  128.782  813.800  128.796   82.781   6.6441   80.794   6.8145 1.987328 9.517467 
1 1 1    1   16   35 o   69.281   3.9468  578.979   64.301  607.300   90.969  550.700   90.902   70.259   5.5278   66.737   5.8267 3.522125 8.031636 
1 1 1    1   16   36 o   93.120   5.2357  1063.93  114.661  993.500  162.128  1134.40  162.183   87.908   7.8944   94.496   7.3255 -6.587631 10.76963 
1 1 1    1   16   37 o   49.361   2.9613  292.526   34.357  270.100   48.563  315.000   48.615   46.940   4.4338   50.858   4.0825 -3.917515 6.027030 
1 1 1    1   16   38 o   78.218   4.4867  750.802   82.523  742.400  116.721  759.200  116.689   76.177   6.5525   77.114   6.4679 -0.9366760 9.207047 
1 1 1    1   16   39 o   72.247   4.1899  642.001   71.174  629.100  100.659  654.900  100.651   69.926   6.1590   71.483   6.0188 -1.557472 8.611564 
1 1 1    1   16   40 o   12.791   1.6510   19.773   4.8703   23.400   6.9135   16.200   6.8621   13.826   2.1906   11.389   2.6077 2.436888 3.405666 
1 1 1    1   16   41 o   9.0316   1.6746   10.018   3.4400   7.3000   4.8811   12.700   4.8489   7.7979   2.4084   10.122   2.0976 -2.323837 3.193797 
1 1 1    1   16   42 o   22.489   1.8785   60.850   9.8844   63.600   13.979   58.100   13.979   22.792   2.6466   21.728   2.7888 1.063515 3.844705 
1 1 1    1   16   43 o   36.906   2.4502  165.101   21.231  167.900   30.020  162.300   30.031   36.731   3.5036   36.073   3.5725 0.6587067 5.003826 
1 1 1    1   16   44 o   15.029   1.6803   27.291   5.8610   31.100   8.2989   23.500   8.2785   15.916   2.2726   13.699   2.6550 2.216909 3.494788 
1 1 1    1   16   45 o   9.0171   1.6393   10.003   3.3619   11.300   4.8463   8.8000   4.6676   9.5002   2.2031   8.4021   2.2899 1.098078 3.177666 
1 1 1    1   16   46 o   28.628   2.1095   99.449   14.160  103.400   20.028   95.500   20.022   28.815   2.9869   27.614   3.1256 1.200386 4.323256 
1 1 1    1   16   47 o   24.903   1.9748   75.347   11.518   76.400   16.309   74.300   16.268   24.712   2.8469   24.348   2.8856 0.3641815 4.053603 
1 1 1    1   16   48 o   55.643   3.4915  397.102   45.643  400.600   64.531  393.600   64.567   53.445   5.1782   52.876   5.2401 0.5691109 7.367007 
1 1 1    1   16   49 o   19.900   1.8166   48.327   8.4421   44.200   11.906   52.500   11.972   18.621   2.7940   20.448   2.5337 -1.827290 3.771706 
1 1 1    1   16   50 o   11.253   1.7371   15.656   4.4674   17.400   6.2222   13.800   6.4179   11.692   2.3354   10.325   2.6262 1.366753 3.514392 
1 1 1    1   16   51 o   19.717   1.8693   47.775   8.5991   51.900   12.125   43.600   12.197   20.203   2.6021   18.330   2.9156 1.873075 3.907886 
1 1 1    1   16   52 o   6.8360   1.9138   5.9147   3.2116   1.0000   4.6770   10.300   4.4179   5.3091   2.2228   8.9477   2.1229 -3.638537 3.073682 
1 1 1    1   16   53 o   16.598   2.9087   37.300   10.984   37.300   10.984   0.0000   0.0000   16.598   2.9087  ?   ?  0.000000 2.908663 
1 1 1    1   16   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   16   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17    1 o  107.982   5.0034  1378.67  127.580  970.300  179.096  1799.40  181.785   90.069   8.5220  123.154   6.2718 -33.08507 10.58112 
1 1 1    1   17    2 o  253.608   12.863  7686.31  767.802  9025.30  1088.20  6358.90  1083.49  273.703   16.920  228.506   20.291 45.19740 26.42004 
1 1 1    1   17    3 o  472.782   38.579 28879.50  4269.40   0.0000   0.0000 28879.50  4269.40  ?   ?   472.782   38.579 0.000000 38.57863 
1 1 1    1   17    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17    5 o  251.243   13.428  7561.09  793.738  7778.90  1122.67  7343.40  1122.36  253.085   18.922  245.646   19.510 7.439255 27.17881 
1 1 1    1   17    6 o  383.300   19.549 17846.41  1763.51 14666.50  2488.95 21052.20  2499.05  339.946   31.359  412.194   25.805 -72.24774 40.61172 
1 1 1    1   17    7 o  319.779   16.643 12350.38  1252.41 10874.90  1767.94 13836.70  1774.42  295.517   25.588  335.459   22.531 -39.94254 34.09360 
1 1 1    1   17    8 o  115.694   6.2555  1589.79  170.261  1627.50  240.990  1552.20  240.582  116.727   8.8080  113.947   9.0149 2.779716 12.60352 
1 1 1    1   17    9 o  169.130   8.8202  3408.53  351.039  3232.10  494.957  3587.10  497.945  163.823   12.899  172.789   12.284 -8.965958 17.81243 
1 1 1    1   17   10 o  423.352   21.522 22102.95  2144.49 19178.20  3024.49 25059.90  3041.10  382.544   33.831  443.037   29.233 -60.49329 44.71117 
1 1 1    1   17   11 o  133.433   7.2352  2119.21  227.116  2192.60  320.845  2045.50  321.536  135.218   10.122  130.496   10.524 4.722672 14.60158 
1 1 1    1   17   12 o  173.362   8.4596  3576.04  346.311  2848.20  488.110  4313.80  491.422  153.209   13.634  189.589   11.024 -36.38066 17.53384 
1 1 1    1   17   13 f  205.371   10.894  5063.21  526.433  4898.00  743.054  5229.70  745.931  200.156   15.851  207.069   15.365 -6.913162 22.07566 
1 1 1    1   17   14 o   98.749   5.3359  1158.79  123.962  1231.70  175.682  1086.50  174.936  101.527   7.3784   95.244   7.8481 6.283424 10.77186 
1 1 1    1   17   15 f  143.843   7.9161  2470.55  267.846  2705.00  378.346  2235.00  379.239  149.842   10.765  135.807   11.947 14.03531 16.08150 
1 1 1    1   17   16 o   56.032   4.6687  374.400   61.211  374.400   61.211   0.0000   0.0000   56.032   4.6687  ?   ?  0.000000 4.668696 
1 1 1    1   17   17 o  188.943   10.047  4290.85  446.661  4143.90  630.597  4438.80  632.758  183.856   14.646  190.545   14.164 -6.689331 20.37502 
1 1 1    1   17   18 o   33.977   2.2568  137.016   18.004  152.100   25.489  122.000   25.433   35.736   3.0498   31.933   3.4264 3.803141 4.587070 
1 1 1    1   17   19 o  102.375   5.5456  1247.29  133.561  1368.50  188.930  1126.20  188.837  106.903   7.5324   96.764   8.3460 10.13898 11.24245 
1 1 1    1   17   20 o  101.493   5.4641  1225.92  130.471  1334.60  184.623  1117.50  184.404  105.561   7.4545   96.402   8.1778 9.159058 11.06555 
1 1 1    1   17   21 o  274.579   15.004  9285.80  969.138  9627.50  1370.78  8944.30  1370.36  273.909   21.362  263.065   22.269 10.84406 30.85882 
1 1 1    1   17   22 o  171.644   9.1381  3544.03  369.044  3797.10  522.182  3291.50  521.633  176.228   12.632  163.554   13.631 12.67398 18.58391 
1 1 1    1   17   23 o   71.309   3.8805  604.018   65.096  688.300   92.242  520.400   91.879   75.969   5.1728   65.883   5.9706 10.08595 7.899771 
1 1 1    1   17   24 o  145.944   7.5453  2554.45  259.142  2991.30  366.839  2119.30  366.125  157.091   9.9404  131.342   11.935 25.74945 15.53261 
1 1 1    1   17   25 o  118.080   6.3560  1668.27  176.571  1760.60  249.885  1576.20  249.533  120.583   8.8374  113.885   9.3619 6.698578 12.87421 
1 1 1    1   17   26 o   59.345   3.4360  418.703   47.944  428.500   67.794  408.900   67.813   59.837   4.8394   58.423   4.9625 1.413986 6.931543 
1 1 1    1   17   27 o  110.165   5.7940  1454.65  150.194  1647.70  212.655  1262.50  212.160  116.592   7.7685  101.553   8.9384 15.03896 11.84249 
1 1 1    1   17   28 o   49.895   2.9408  296.085   34.495  278.200   48.696  314.100   48.872   48.151   4.3291   51.231   4.0736 -3.079887 5.944298 
1 1 1    1   17   29 o   91.498   5.0945  1005.39  109.636  1073.30  155.004  937.400  155.094   93.841   7.0465   87.447   7.5860 6.394394 10.35376 
1 1 1    1   17   30 o   83.626   4.6386  839.722   91.240  869.000  129.095  810.500  128.969   84.396   6.5286   81.390   6.7720 3.005508 9.406466 
1 1 1    1   17   31 o  133.395   7.3982  2194.32  232.125  2108.40  328.225  2280.30  328.323  127.532   11.007  133.153   10.528 -5.621048 15.23128 
1 1 1    1   17   32 o  129.290   7.2211  2072.27  219.579  2051.80  310.276  2092.80  310.789  125.308   10.585  126.674   10.484 -1.365662 14.89841 
1 1 1    1   17   33 o   55.542   3.2449  369.324   42.373  349.900   59.885  388.800   59.964   53.623   4.7794   56.632   4.5218 -3.008183 6.579478 
1 1 1    1   17   34 o   52.793   3.1297  333.841   38.841  322.500   54.908  345.200   54.953   51.472   4.5649   53.319   4.4040 -1.847507 6.343018 
1 1 1    1   17   35 f   48.505   2.9342  281.791   33.450  288.600   47.336  275.000   47.275   48.749   4.1516   47.545   4.2558 1.203671 5.945368 
1 1 1    1   17   36 o   41.836   2.6034  209.420   25.592  221.300   36.239  197.600   36.146   42.753   3.6237   40.318   3.8432 2.434406 5.282147 
1 1 1    1   17   37 o   54.913   3.2598  363.352   42.081  354.100   59.518  372.600   59.505   53.607   4.7510   55.061   4.6194 -1.453594 6.626515 
1 1 1    1   17   38 o   21.029   1.8329   52.950   9.0106   53.300   12.739   52.600   12.747   20.946   2.6337   20.801   2.6557 0.1449356 3.740255 
1 1 1    1   17   39 o   33.095   2.2691  131.498   17.626  140.100   24.930  122.900   24.924   33.913   3.1490   31.669   3.3854 2.244751 4.623507 
1 1 1    1   17   40 o   15.289   1.7009   28.161   6.0366   26.900   8.5741   29.400   8.5006   14.758   2.5527   15.480   2.4035 -0.7216063 3.506179 
1 1 1    1   17   41 o   11.906   1.6475   17.196   4.5077   16.900   6.3318   17.500   6.4189   11.654   2.3813   11.865   2.3739 -0.2111435 3.362397 
1 1 1    1   17   42 o   16.044   1.7218   31.058   6.4212   38.200   9.0756   23.900   9.0864   17.699   2.2203   13.781   2.8849 3.918876 3.640378 
1 1 1    1   17   43 o   42.777   2.6316  222.525   26.453  251.300   37.492  194.000   37.329   44.939   3.5623   39.127   4.1012 5.812149 5.432262 
1 1 1    1   17   44 o   11.749   1.6587   16.796   4.4738   17.300   6.3538   16.300   6.3004   11.771   2.3679   11.409   2.4139 0.3618069 3.381421 
1 1 1    1   17   45 o   14.029   1.7002   23.870   5.5170   20.600   7.8267   27.100   7.7781   12.779   2.6793   14.812   2.2983 -2.032705 3.529972 
1 1 1    1   17   46 o   4.4006   1.5086   2.1193   1.8895   4.1000   2.7718   0.4000   2.5824   5.8517   1.8161   3.9688   1.6558 1.882844 2.457636 
1 1 1    1   17   47 o   18.666   1.7884   42.306   7.7863   41.200   11.044   43.400   10.979   18.123   2.6599   18.647   2.5611 -0.5242710 3.692406 
1 1 1    1   17   48 o   24.944   1.9878   75.992   11.612   78.400   16.449   73.600   16.394   24.917   2.8467   24.081   2.9444 0.8365803 4.095448 
1 1 1    1   17   49 o   20.241   1.8288   50.037   8.6469   51.700   12.278   48.400   12.180   20.232   2.6322   19.527   2.7150 0.7053356 3.781528 
1 1 1    1   17   50 o   8.0505   1.8226   8.1660   3.3842   9.9000   4.5897   6.1000   5.0099   8.8077   2.2103   7.2179   2.4566 1.589737 3.304592 
1 1 1    1   17   51 o   15.914   1.8498   31.257   6.8217   33.500   9.4355   28.800   9.8741   16.183   2.5538   14.809   2.9274 1.374146 3.884725 
1 1 1    1   17   52 o   14.718   2.6994   28.500   9.0356   28.500   9.0356   0.0000   0.0000   14.718   2.6994  ?   ?  0.000000 2.699361 
1 1 1    1   17   53 o   9.2822   2.8408   11.800   6.8091   11.800   6.8091   0.0000   0.0000   9.2822   2.8408  ?   ?  0.000000 2.840841 
1 1 1    1   17   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18    0 o  168.099   13.064  3415.80  511.363  3415.80  511.363  3415.80  511.363  168.099   13.064  168.099   13.064 -0.000000 0.000000 
1 1 1    1   18    1 o   67.508   3.7903  540.318   60.177  587.100   85.270  493.900   84.938   70.260   5.1760   64.360   5.6460 5.900513 7.659491 
1 1 1    1   18    2 o  439.408   35.975 25024.00  3700.02   0.0000   0.0000 25024.00  3700.02  ?   ?   439.408   35.975 0.000000 35.97471 
1 1 1    1   18    3 o  178.835   9.1301  3808.76  384.271  3285.10  542.006  4338.00  544.888  165.048   14.040  190.272   12.192 -25.22346 18.59477 
1 1 1    1   18    4 o  244.526   12.066  7137.13  696.684  8420.70  988.354  5869.50  982.196  264.094   15.923  219.180   19.170 44.91318 24.92064 
1 1 1    1   18    5 o   63.766   3.6594  482.161   54.870  525.200   77.588  439.100   77.607   66.445   4.9813   60.667   5.4764 5.777878 7.402969 
1 1 1    1   18    6 o  306.711   15.677 11358.63  1131.64  9153.20  1597.73 13578.80  1603.06  270.412   25.316  332.871   20.494 -62.45880 32.57174 
1 1 1    1   18    7 o  278.603   13.469  9308.20  886.097  7294.10  1249.35 11346.90  1256.95  242.635   22.046  305.529   17.495 -62.89473 28.14439 
1 1 1    1   18    8 o  249.302   13.434  7480.70  787.917  7208.90  1114.79  7752.00  1113.77  242.102   19.670  251.490   18.893 -9.388062 27.27369 
1 1 1    1   18    9 o  147.831   7.8917  2603.43  274.488  2501.90  387.568  2705.60  388.804  144.192   11.478  150.082   11.049 -5.889999 15.93137 
1 1 1    1   18   10 o  108.507   8.4368  1408.90  214.473   0.0000   0.0000  1408.90  214.473  ?   ?   108.507   8.4368 0.000000 8.436818 
1 1 1    1   18   11 o  206.399   10.763  5109.70  522.769  6323.50  739.734  3898.70  738.882  228.572   13.770  177.712   17.849 50.85916 22.54278 
1 1 1    1   18   12 o  328.518   26.726 13918.20  2055.32 13918.20  2055.32   0.0000   0.0000  328.518   26.726  ?   ?  0.000000 26.72634 
1 1 1    1   18   13 o  190.200   14.729  4413.80  656.378  4413.80  656.378   0.0000   0.0000  190.200   14.729  ?   ?  0.000000 14.72927 
1 1 1    1   18   14 o  235.123   12.872  6691.57  711.952  7274.40  1006.19  6107.20  1007.52  242.585   17.687  221.107   19.497 21.47876 26.32385 
1 1 1    1   18   15 o  123.282   6.6468  1811.10  192.783  1791.40  272.271  1830.90  273.001  122.021   9.5249  123.385   9.4417 -1.364716 13.41152 
1 1 1    1   18   16 o  107.726   5.7078  1380.72  144.677  1263.70  204.230  1498.60  204.981  102.554   8.5103  111.882   7.8077 -9.327667 11.54926 
1 1 1    1   18   17 o  145.657   7.7494  2535.66  265.583  2437.90  374.847  2634.20  376.339  141.853   11.284  147.617   10.873 -5.763992 15.66998 
1 1 1    1   18   18 f   86.470   4.7657  888.760   96.933  872.000  136.923  905.600  137.247   85.342   6.8522   87.001   6.7330 -1.658981 9.606519 
1 1 1    1   18   19 o  111.980   5.5485  1488.27  146.717  1269.20  206.637  1711.00  208.352  102.690   8.6007  119.600   7.4140 -16.90953 11.35512 
1 1 1    1   18   20 o  110.818   5.9962  1463.41  156.326  1428.40  220.963  1498.50  221.192  108.936   8.6614  111.643   8.4530 -2.706802 12.10257 
1 1 1    1   18   21 o  115.892   6.2530  1602.13  170.488  1529.10  240.986  1675.30  241.227  112.555   9.1461  117.959   8.7222 -5.403000 12.63834 
1 1 1    1   18   22 o  148.002   7.8818  2626.09  274.466  2851.70  388.374  2401.00  387.934  153.248   10.801  140.162   11.832 13.08575 16.02052 
1 1 1    1   18   23 f  125.551   6.6139  1884.54  195.393  2152.50  276.540  1617.40  276.115  133.580   8.8167  115.261   10.252 18.31912 13.52162 
1 1 1    1   18   24 o   74.797   4.1998  665.565   73.878  695.900  104.454  635.200  104.504   76.225   5.8477   72.750   6.1407 3.475166 8.479613 
1 1 1    1   18   25 f  118.186   6.4328  1674.05  178.850  1672.20  252.966  1675.90  252.898  117.214   9.2137  117.350   9.2001 -0.1355972 13.02053 
1 1 1    1   18   26 o   82.999   4.6015  821.887   89.832  798.900  127.007  844.900  127.078   81.362   6.6693   83.735   6.4772 -2.373909 9.296984 
1 1 1    1   18   27 o   28.782   2.1012   98.509   14.182  102.200   20.033   94.800   20.080   29.222   2.9433   28.115   3.0747 1.107056 4.256430 
1 1 1    1   18   28 o   67.857   3.8576  549.500   61.557  549.400   86.989  549.600   87.122   67.482   5.5070   67.493   5.5147 -0.1046753E-01 7.793473 
1 1 1    1   18   29 o   5.9610   1.5028   4.3651   2.1147   0.4000   2.8806   9.0000   3.1144   4.2016   1.7505   8.5872   1.5946 -4.385553 2.367887 
1 1 1    1   18   30 o   19.092   1.7612   43.498   7.8504   44.700   11.114   42.300   11.091   19.255   2.5035   18.710   2.5788 0.5448284 3.594156 
1 1 1    1   18   31 o  100.532   5.5905  1228.15  132.190  1228.40  186.937  1227.90  186.954   99.051   8.0623   99.029   8.0649 0.2203369E-01 11.40360 
1 1 1    1   18   32 o   67.274   3.8614  543.763   61.084  515.000   86.405  572.500   86.367   64.806   5.7044   68.487   5.3839 -3.680962 7.843860 
1 1 1    1   18   33 o   57.832   3.3693  400.989   45.812  377.300   64.772  424.700   64.803   55.588   4.9876   59.113   4.6807 -3.525539 6.840016 
1 1 1    1   18   34 o   67.802   3.8051  553.766   60.675  495.400   85.746  612.300   85.870   63.286   5.8024   70.722   5.1779 -7.436401 7.776754 
1 1 1    1   18   35 o   60.022   3.4986  433.598   49.371  423.300   69.816  443.900   69.828   58.687   5.0882   60.166   4.9591 -1.478573 7.105130 
1 1 1    1   18   36 o   49.570   2.9317  294.880   34.164  326.200   48.369  263.700   48.261   51.801   3.9848   46.371   4.4626 5.430244 5.982777 
1 1 1    1   18   37 f   33.663   2.2793  135.642   18.011  140.300   25.494  131.000   25.450   34.015   3.2120   32.826   3.3294 1.189144 4.626225 
1 1 1    1   18   38 o   42.425   2.6800  216.654   26.710  205.500   37.781  227.800   37.767   40.852   3.9665   43.122   3.7462 -2.269905 5.455911 
1 1 1    1   18   39 o   56.339   3.3431  387.029   44.277  402.800   62.658  371.300   62.576   56.598   4.7317   54.176   4.9460 2.422623 6.844858 
1 1 1    1   18   40 o   41.838   2.6593  211.847   26.136  224.800   36.967  198.900   36.957   42.623   3.7099   39.942   3.9710 2.680721 5.434362 
1 1 1    1   18   41 o   17.792   1.7677   38.129   7.3282   33.800   10.399   42.400   10.329   16.500   2.7669   18.624   2.4049 -2.123438 3.665937 
1 1 1    1   18   42 o   58.291   3.5090  420.551   48.074  425.400   67.981  415.700   67.994   57.215   5.0847   56.485   5.1544 0.7296143 7.240337 
1 1 1    1   18   43 o   26.955   2.0310   87.640   12.833   82.000   18.132   93.300   18.164   25.732   3.0429   27.550   2.8325 -1.817888 4.157181 
1 1 1    1   18   44 o   29.152   2.1269  102.750   14.541  102.400   20.557  103.100   20.570   28.743   3.0767   28.846   3.0670 -0.1029873 4.344203 
1 1 1    1   18   45 o   18.825   1.7772   42.842   7.8066   38.200   11.031   47.500   11.049   17.476   2.7651   19.640   2.4347 -2.164331 3.684228 
1 1 1    1   18   46 o   5.1797   1.6057   3.2030   2.1673   4.7000   3.0140   1.6000   3.1189   6.2238   1.8870   4.7761   1.8813 1.447675 2.664543 
1 1 1    1   18   47 o   18.425   1.7727   41.245   7.6175   46.700   10.777   35.800   10.768   19.399   2.4042   16.796   2.8145 2.602983 3.701584 
1 1 1    1   18   48 o   8.5544   1.7307   9.1350   3.3760   4.7000   4.7934   13.500   4.7555   6.6455   2.3925   10.373   2.0141 -3.727038 3.127435 
1 1 1    1   18   49 o   8.0137   1.6793   8.0316   3.0762   3.9000   4.2676   12.500   4.4381   6.1630   2.2516   9.9766   1.9538 -3.813581 2.981144 
1 1 1    1   18   50 o   12.748   1.7368   20.034   5.0922   17.600   6.9251   22.900   7.5137   11.662   2.5828   13.386   2.4680 -1.724262 3.572403 
1 1 1    1   18   51 o   17.850   1.8481   39.330   7.6768   38.500   10.729   40.200   10.989   17.238   2.7266   17.620   2.7295 -0.3817921 3.857977 
1 1 1    1   18   52 o   15.662   2.7138   32.500   9.6727   32.500   9.6727   0.0000   0.0000   15.662   2.7138  ?   ?  0.000000 2.713780 
1 1 1    1   18   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   18   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19    0 o  151.772   11.803  2784.10  417.113  2784.10  417.113  2784.10  417.113  151.772   11.803  151.772   11.803 -0.000000 0.000000 
1 1 1    1   19    1 o  459.156   25.442 26311.04  2747.69 26906.70  3886.66 25715.90  3884.98  451.418   36.781  440.045   37.753 11.37341 52.70847 
1 1 1    1   19    2 o  146.098   7.7103  2539.82  265.057  2306.70  374.263  2774.40  375.435  138.528   11.547  152.226   10.509 -13.69815 15.61270 
1 1 1    1   19    3 o  434.871   22.210 23336.16  2273.16 26371.10  3222.79 20331.40  3206.73  454.176   30.223  393.673   34.856 60.50284 46.13401 
1 1 1    1   19    4 o  259.602   13.659  8110.93  834.345  7398.40  1178.16  8827.80  1181.73  244.973   20.557  268.657   18.745 -23.68393 27.82030 
1 1 1    1   19    5 o  237.997   11.549  6770.59  649.068  8331.20  920.552  5227.70  915.312  262.539   14.910  206.199   19.013 56.34061 24.16187 
1 1 1    1   19    6 o  143.734   11.082  2482.50  373.228   0.0000   0.0000  2482.50  373.228  ?   ?   143.734   11.082 0.000000 11.08194 
1 1 1    1   19    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19    8 o  258.682   20.344  8297.80  1232.65  8297.80  1232.65   0.0000   0.0000  258.682   20.344  ?   ?  0.000000 20.34364 
1 1 1    1   19    9 o   94.090   4.9454  1051.06  109.492  1230.80  155.298  873.400  154.396  101.650   6.5040   85.372   7.7430 16.27736 10.11215 
1 1 1    1   19   10 o   32.771   2.2555  127.478   17.348  133.100   24.583  121.900   24.485   33.407   3.1536   31.942   3.2934 1.465435 4.559783 
1 1 1    1   19   11 o  245.242   11.791  7225.05  682.806  5645.10  962.222  8827.60  969.082  212.958   19.346  269.102   15.314 -56.14317 24.67312 
1 1 1    1   19   12 o  149.339   7.7252  2660.71  271.492  2404.90  383.139  2918.70  384.762  141.025   11.608  155.760   10.523 -14.73428 15.66787 
1 1 1    1   19   13 o  215.093   11.727  5582.53  593.404  5914.80  838.472  5249.10  839.929  219.259   16.311  205.894   17.440 13.36577 23.87883 
1 1 1    1   19   14 o  126.628   6.8905  1911.89  205.260  2159.90  290.203  1663.60  290.361  134.116   9.2194  117.286   10.599 16.83016 14.04731 
1 1 1    1   19   15 o  197.070   10.612  4677.32  492.007  4669.00  694.624  4685.70  696.989  194.900   15.214  195.238   15.239 -0.3373871 21.53315 
1 1 1    1   19   16 o   95.431   5.2584  1083.21  118.039  1097.00  166.568  1069.30  167.299   95.692   7.4297   94.444   7.5652 1.248444 10.60339 
1 1 1    1   19   17 o  162.604   8.6265  3168.37  330.045  3055.80  465.667  3282.00  467.848  158.385   12.554  164.333   12.142 -5.948349 17.46515 
1 1 1    1   19   18 o  182.906   9.7323  4024.01  418.834  3892.90  590.993  4156.30  593.657  178.074   14.172  184.239   13.745 -6.164627 19.74220 
1 1 1    1   19   19 o   17.601   1.7483   36.960   7.1704   40.100   10.125   33.800   10.156   18.262   2.4064   16.702   2.6646 1.559938 3.590435 
1 1 1    1   19   20 f  109.697   6.0195  1434.73  155.331  1494.80  219.438  1374.40  219.904  111.474   8.3981  106.766   8.8009 4.707932 12.16482 
1 1 1    1   19   21 o   71.207   4.1322  602.716   69.183  642.300   97.514  562.600   98.167   73.303   5.6778   68.502   6.1337 4.801231 8.358250 
1 1 1    1   19   22 o   83.899   4.7156  837.794   93.046  888.400  131.400  786.900  131.774   86.100   6.5110   80.914   6.9646 5.186691 9.534124 
1 1 1    1   19   23 o   29.227   2.0994  101.484   14.392  105.200   20.399   97.800   20.310   29.672   2.9504   28.586   3.0561 1.086184 4.247957 
1 1 1    1   19   24 o  197.492   10.749  4770.18  499.405  4634.60  705.957  4906.00  706.573  190.891   15.804  196.847   15.321 -5.956635 22.01135 
1 1 1    1   19   25 o   53.754   3.1771  343.509   40.149  355.500   56.758  331.500   56.800   54.511   4.4482   52.599   4.6199 1.912319 6.413236 
1 1 1    1   19   26 o   50.536   3.0129  303.695   35.791  277.100   50.611  330.300   50.621   48.043   4.5142   52.557   4.1116 -4.513737 6.106039 
1 1 1    1   19   27 o   12.834   1.7435   19.833   5.1472   12.700   7.3495   26.700   7.2109   10.225   2.9065   14.875   2.1123 -4.649338 3.593025 
1 1 1    1   19   28 o   64.981   3.7203  504.151   56.848  489.500   80.397  518.800   80.393   63.635   5.4014   65.569   5.2359 -1.934113 7.522638 
1 1 1    1   19   29 o  119.097   6.5919  1729.45  184.662  1714.00  261.155  1744.90  261.147  116.552   9.5735  117.678   9.4782 -1.125656 13.47175 
1 1 1    1   19   30 o   23.380   1.8942   65.143   10.368   64.300   14.599   66.000   14.727   23.111   2.7277   23.421   2.7131 -0.3098240 3.847188 
1 1 1    1   19   31 o   53.887   3.1823  347.246   40.314  355.700   57.025  338.800   57.000   54.205   4.4957   52.858   4.6129 1.346489 6.441326 
1 1 1    1   19   32 o   89.058   4.9867  963.092  104.449  980.500  147.746  945.700  147.680   88.611   7.1211   86.922   7.2615 1.688705 10.17054 
1 1 1    1   19   33 o   69.955   3.9956  590.099   65.730  594.000   92.962  586.200   92.951   69.439   5.7204   68.958   5.7610 0.4803085 8.118603 
1 1 1    1   19   34 o   61.124   3.5425  449.484   50.912  423.100   71.978  475.900   72.021   58.645   5.2533   62.367   4.9306 -3.721485 7.204724 
1 1 1    1   19   35 o   35.947   2.3727  154.446   20.027  162.000   28.330  146.900   28.315   36.613   3.3126   34.806   3.4922 1.807182 4.813410 
1 1 1    1   19   36 o   37.262   2.4279  166.188   21.246  157.900   30.025  174.500   30.067   36.030   3.5763   37.947   3.3912 -1.917339 4.928456 
1 1 1    1   19   37 o   28.157   2.0635   94.890   13.625   90.000   19.249   99.800   19.287   27.199   3.0497   28.700   2.8850 -1.501467 4.198065 
1 1 1    1   19   38 o   59.439   3.5171  430.800   49.146  430.800   69.509  430.800   69.496   58.448   5.0871   58.448   5.0860 -0.7553101E-03 7.193442 
1 1 1    1   19   39 o   64.332   3.7830  509.832   57.215  495.900   80.862  523.800   80.967   61.959   5.5870   63.845   5.4218 -1.886269 7.785229 
1 1 1    1   19   40 o   44.922   2.7859  245.021   29.406  267.500   41.613  222.600   41.560   46.387   3.8334   42.052   4.2433 4.334442 5.718429 
1 1 1    1   19   41 o   49.785   3.0592  303.348   35.790  301.100   50.591  305.600   50.638   48.660   4.4522   49.050   4.4195 -0.3897781 6.273274 
1 1 1    1   19   42 o   31.151   2.2059  117.200   16.121  117.600   22.792  116.800   22.805   30.840   3.1751   30.728   3.1894 0.1122532 4.500362 
1 1 1    1   19   43 o   6.5853   1.6726   5.3760   2.6059   3.1000   3.7067   7.6000   3.6642   5.6880   2.0954   7.8128   1.9828 -2.124803 2.884801 
1 1 1    1   19   44 o   36.054   2.4028  158.032   20.340  147.500   28.740  168.600   28.789   34.216   3.6117   36.757   3.3538 -2.540432 4.928715 
1 1 1    1   19   45 o   13.250   1.6761   21.349   5.1270   20.700   7.2445   22.000   7.2569   12.838   2.4795   13.265   2.4053 -0.4271164 3.454430 
1 1 1    1   19   46 f   1.1535   0.5770  -1.8268   0.6572  -3.2000   1.1172  -1.1000   0.8128   1.4859   0.7446   1.6058   0.7666 -0.1198258 1.068667 
1 1 1    1   19   47 o   33.845   2.3504  141.046   18.668  156.500   26.403  125.600   26.397   35.041   3.2272   31.034   3.6734 4.006866 4.889690 
1 1 1    1   19   48 o   29.722   2.1731  108.636   15.146  119.500   21.434   97.800   21.406   30.644   3.0005   27.442   3.3746 3.202175 4.515636 
1 1 1    1   19   49 o   22.341   1.8563   60.977   9.7044   51.500   13.503   71.100   13.956   20.018   2.9447   23.814   2.5201 -3.796728 3.875815 
1 1 1    1   19   50 o   16.982   1.8199   35.456   7.1843   37.000   9.9855   33.800   10.344   17.038   2.5612   16.151   2.8146 0.8870602 3.805493 
1 1 1    1   19   51 o   24.970   2.0145   77.441   11.777   68.300   16.558   86.800   16.754   22.634   3.1862   25.884   2.7849 -3.250340 4.231761 
1 1 1    1   19   52 o   19.318   2.9567   50.600   13.058   50.600   13.058   0.0000   0.0000   19.318   2.9567  ?   ?  0.000000 2.956717 
1 1 1    1   19   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   19   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   20    1 o  175.349   13.526  3717.60  555.725   0.0000   0.0000  3717.60  555.725  ?   ?   175.349   13.526 0.000000 13.52581 
1 1 1    1   20    2 o  289.850   15.325 10181.98  1045.20 11088.10  1480.16  9280.80  1476.11  299.125   21.090  272.208   23.185 26.91760 31.34270 
1 1 1    1   20    3 o   79.132   4.4957  743.260   83.660  661.900  118.467  824.200  118.161   74.387   6.8203   83.175   6.0578 -8.787651 9.122128 
1 1 1    1   20    4 o  155.458   6.9068  2867.82  253.544  2023.30  356.358  3733.60  360.815  129.445   11.788  177.129   8.6265 -47.68376 14.60692 
1 1 1    1   20    5 o  387.285   18.657 18384.76  1706.18 22816.40  2421.47 14015.30  2404.42  425.597   24.194  326.094   31.623 99.50348 39.81662 
1 1 1    1   20    6 o   68.739   3.8543  560.564   62.309  627.300   88.275  494.300   87.962   72.597   5.1835   64.316   5.8560 8.280975 7.820568 
1 1 1    1   20    7 o  336.661   17.613 13903.47  1395.30 11842.60  1969.71 15979.20  1976.80  302.222   27.916  355.717   23.669 -53.49466 36.59947 
1 1 1    1   20    8 f  184.766   9.9396  4090.44  432.067  3949.80  611.124  4231.00  610.947  180.079   14.494  186.616   13.965 -6.536804 20.12754 
1 1 1    1   20    9 o  265.551   14.327  8563.37  895.084  8271.10  1265.01  8856.40  1266.67  256.913   21.036  266.424   20.286 -9.511749 29.22439 
1 1 1    1   20   10 o  130.969   6.6855  2042.22  206.070  2452.90  292.082  1635.20  290.776  143.180   8.6799  116.350   10.704 26.83021 13.78065 
1 1 1    1   20   11 o  174.449   7.8842  3623.68  324.778  4715.90  462.180  2558.20  456.486  198.538   9.8583  144.819   13.504 53.71930 16.71997 
1 1 1    1   20   12 o   78.977   4.2163  740.406   78.347  601.200  110.448  881.400  111.155   70.823   6.6832   86.041   5.4997 -15.21882 8.655185 
1 1 1    1   20   13 o  107.591   5.5063  1376.44  139.425  1668.70  197.846  1088.10  196.514  118.230   7.1198   95.049   8.8575 23.18046 11.36433 
1 1 1    1   20   14 o   96.453   5.2778  1106.38  119.753  1291.10  169.363  921.700  169.348  103.960   6.9389   87.512   8.2941 16.44796 10.81391 
1 1 1    1   20   15 o  167.314   8.6875  3353.50  342.052  3072.90  482.667  3636.60  484.811  158.723   12.992  173.170   11.929 -14.44650 17.63744 
1 1 1    1   20   16 o  149.173   8.0969  2663.13  284.144  2870.90  401.664  2455.00  402.017  154.003   11.120  142.023   12.103 11.98071 16.43569 
1 1 1    1   20   17 o  114.154   6.2200  1553.11  167.032  1573.70  235.901  1532.40  236.538  114.380   8.8017  112.825   8.9519 1.555031 12.55412 
1 1 1    1   20   18 o  143.009   7.7911  2447.68  262.109  2520.40  370.093  2374.50  371.267  144.191   10.951  139.798   11.344 4.392303 15.76799 
1 1 1    1   20   19 f  264.521   13.367  8560.81  832.205  7387.10  1173.25  9749.30  1180.61  239.671   20.941  278.394   18.057 -38.72305 27.65074 
1 1 1    1   20   20 o  184.469   10.079  4111.07  437.380  4400.50  618.156  3820.90  618.941  188.943   13.954  175.368   15.093 13.57469 20.55528 
1 1 1    1   20   21 o   84.789   4.6818  855.501   93.374  844.600  131.460  866.600  132.650   83.905   6.6907   85.003   6.6620 -1.098244 9.441772 
1 1 1    1   20   22 o  174.344   9.0729  3670.70  372.231  4517.90  526.852  2826.30  525.979  192.104   11.669  149.968   15.056 42.13635 19.04889 
1 1 1    1   20   23 o  165.157   9.1368  3305.74  354.944  3514.90  501.328  3095.50  502.610  168.331   12.706  157.324   13.665 11.00661 18.65938 
1 1 1    1   20   24 o   60.063   3.4411  429.001   48.601  415.600   68.481  442.600   68.987   58.883   4.9716   60.801   4.8453 -1.917545 6.942141 
1 1 1    1   20   25 o   81.624   4.3733  794.708   83.987  728.900  118.206  861.800  119.354   77.675   6.5044   84.637   6.0110 -6.961655 8.856620 
1 1 1    1   20   26 o   75.816   4.2146  686.370   75.155  756.300  106.346  616.600  106.224   79.232   5.7225   71.322   6.3744 7.910095 8.566198 
1 1 1    1   20   27 o   40.375   2.5589  193.939   24.270  201.700   34.347  186.200   34.300   41.033   3.5808   39.387   3.7324 1.645714 5.172307 
1 1 1    1   20   28 o   91.628   5.0054  1010.50  107.891  919.800  152.455  1101.50  152.707   86.361   7.5518   94.902   6.8606 -8.540733 10.20281 
1 1 1    1   20   29 o   65.962   3.7906  520.968   58.794  542.900   83.112  499.000   83.181   66.903   5.3043   64.041   5.5556 2.862053 7.681168 
1 1 1    1   20   30 f   82.519   4.6398  821.849   90.043  836.500  127.343  807.200  127.338   82.349   6.6042   80.818   6.7338 1.530922 9.431819 
1 1 1    1   20   31 o   46.418   2.8239  257.317   30.806  247.500   43.494  267.200   43.639   45.231   4.1173   47.050   3.9648 -1.818577 5.715895 
1 1 1    1   20   32 o   63.086   3.6472  478.250   54.100  493.500   76.509  463.000   76.509   63.548   5.1427   61.466   5.3238 2.081543 7.402039 
1 1 1    1   20   33 o   46.019   2.8071  253.334   30.358  231.600   42.917  275.100   42.949   43.632   4.2181   47.698   3.8458 -4.066322 5.708111 
1 1 1    1   20   34 o   49.526   2.9862  294.096   34.760  303.400   49.169  284.800   49.147   49.936   4.2090   48.321   4.3540 1.615437 6.055863 
1 1 1    1   20   35 o   26.970   2.0102   86.882   12.710   96.900   17.991   76.900   17.958   28.362   2.7197   25.158   3.0877 3.204224 4.114663 
1 1 1    1   20   36 o   48.569   2.9556  283.997   33.736  279.900   47.694  288.100   47.726   47.718   4.2781   48.445   4.2140 -0.7266350 6.004982 
1 1 1    1   20   37 o   88.373   5.0466  976.525  104.875  930.300  148.196  1022.90  148.435   83.376   7.6111   87.972   7.2088 -4.595932 10.48308 
1 1 1    1   20   38 o   41.775   2.6552  210.700   26.057  214.300   36.850  207.100   36.850   41.666   3.7867   40.921   3.8592 0.7452354 5.406727 
1 1 1    1   20   39 o   50.862   3.0933  315.194   36.975  329.900   52.302  300.500   52.279   51.272   4.3613   48.763   4.5943 2.508717 6.334754 
1 1 1    1   20   40 o   10.034   1.6682   12.310   3.8137   8.8000   5.4010   15.800   5.3859   8.4794   2.5159   11.312   2.0934 -2.832826 3.272936 
1 1 1    1   20   41 o   19.859   1.7629   47.443   8.1812   39.800   11.527   55.200   11.613   17.908   2.8192   21.291   2.3490 -3.382868 3.669554 
1 1 1    1   20   42 o   13.493   1.6605   22.039   5.1789   23.800   7.3473   20.300   7.3011   13.879   2.3241   12.750   2.5145 1.129102 3.424001 
1 1 1    1   20   43 f   19.517   1.7948   45.935   8.1788   39.700   11.552   52.200   11.581   17.847   2.8360   20.650   2.4210 -2.802061 3.728798 
1 1 1    1   20   44 o   32.489   2.2932  128.328   17.480  133.800   24.659  122.800   24.783   32.724   3.2334   31.240   3.4152 1.483450 4.703011 
1 1 1    1   20   45 o   23.036   1.9382   64.377   10.445   67.700   14.714   61.000   14.831   23.335   2.7213   22.053   2.9197 1.282227 3.991313 
1 1 1    1   20   46 o   3.6110   1.3971   1.0045   1.6954   2.6000   2.3272  -0.8000   2.4749   4.8654   1.6739   3.4560   1.5307 1.409331 2.268271 
1 1 1    1   20   47 o   30.780   2.2573  116.547   16.292  130.200   23.001  102.800   23.080   32.004   3.0817   28.081   3.5606 3.922737 4.709021 
1 1 1    1   20   48 o   19.483   1.8261   46.369   8.3035   49.600   11.708   43.100   11.778   19.852   2.5570   18.373   2.8036 1.478668 3.794537 
1 1 1    1   20   49 o   14.593   1.9395   26.367   6.5179   32.700   8.8611   18.900   9.6212   16.095   2.4053   11.900   3.3057 4.194605 4.088142 
1 1 1    1   20   50 o   4.0954   1.6248   1.1359   2.3421   1.1000   2.9250   1.2000   3.9096   4.4334   1.7962   5.0078   2.0584 -0.5744553 2.731873 
1 1 1    1   20   51 o   12.991   1.7898   21.074   5.3448   19.300   7.5037   22.900   7.6150   12.035   2.7062   13.222   2.5311 -1.187591 3.705402 
1 1 1    1   20   52 o   9.2915   2.4270   11.600   5.3831   11.600   5.3831   0.0000   0.0000   9.2915   2.4270  ?   ?  0.000000 2.426962 
1 1 1    1   20   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   20   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   20   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   21    0 o  102.598   8.1450  1270.80  194.468  1270.80  194.468  1270.80  194.468  102.598   8.1450  102.598   8.1450 0.000000 0.000000 
1 1 1    1   21    1 o  145.963   7.7099  2539.75  264.796  2118.00  374.171  2962.90  374.786  132.287   12.113  157.158   10.153 -24.87149 15.80534 
1 1 1    1   21    2 o  381.301   21.485 18141.66  1926.58 17004.30  2727.50 19274.20  2721.70  356.807   32.737  383.088   30.335 -26.28058 44.63113 
1 1 1    1   21    3 o  285.717   15.573  9942.29  1046.74  8691.30  1480.58 11192.40  1480.06  261.460   24.257  299.487   21.063 -38.02722 32.12540 
1 1 1    1   21    4 o  227.524   12.233  6238.97  654.812  6030.60  925.763  6447.60  926.325  221.152   17.880  229.042   17.254 -7.889542 24.84772 
1 1 1    1   21    5 o  151.210   8.1341  2729.09  289.371  2737.20  409.429  2721.00  409.037  150.601   11.602  150.145   11.628 0.4560699 16.42606 
1 1 1    1   21    6 o  225.382   11.057  6089.20  588.487  7346.70  834.554  4845.50  829.959  245.874   14.437  197.921   17.954 47.95271 23.03856 
1 1 1    1   21    7 o   45.293   2.5268  243.169   26.918  312.500   38.387  176.100   37.756   51.315   3.1837   38.343   4.2410 12.97179 5.302978 
1 1 1    1   21    8 o  246.709   11.548  7313.02  672.739  5447.50  947.049  9213.20  955.805  208.886   19.422  275.040   14.771 -66.15431 24.40098 
1 1 1    1   21    9 o  150.176   8.0661  2694.22  284.994  2901.40  403.168  2487.30  402.916  155.076   11.083  143.247   12.023 11.82886 16.35159 
1 1 1    1   21   10 f   83.695   4.6756  832.196   92.035  872.100  130.001  792.100  130.314   85.445   6.4917   81.353   6.8472 4.092186 9.435363 
1 1 1    1   21   11 o  125.727   6.7773  1884.26  200.465  1957.90  283.769  1810.90  283.233  127.595   9.4861  122.592   9.8676 5.002769 13.68775 
1 1 1    1   21   12 o   44.974   2.4440  239.730   25.858  305.600   37.192  178.100   35.975   50.743   3.1191   38.585   4.0068 12.15738 5.077674 
1 1 1    1   21   13 o   85.123   4.6725  860.999   93.562  814.800  131.891  907.800  132.746   82.496   6.8320   87.162   6.4962 -4.666000 9.427456 
1 1 1    1   21   14 f  103.015   5.6415  1263.07  136.711  1293.50  193.272  1232.60  193.406  103.850   7.9416  101.319   8.1528 2.530998 11.38143 
1 1 1    1   21   15 o  207.983   11.544  5234.23  564.719  5868.40  797.827  4597.50  799.441  218.129   15.592  191.656   17.871 26.47319 23.71655 
1 1 1    1   21   16 o  223.214   12.135  6046.54  637.193  6135.20  900.181  5957.50  902.076  221.783   17.326  218.313   17.650 3.470291 24.73258 
1 1 1    1   21   17 o   87.093   4.8483  902.090   99.314  1156.60  140.426  647.400  140.476   98.467   6.0690   73.152   8.2780 25.31542 10.26443 
1 1 1    1   21   18 o   87.822   4.9079  917.647  101.372  973.600  143.174  861.400  143.550   90.164   6.7742   84.688   7.2481 5.475281 9.920889 
1 1 1    1   21   19 o  134.069   7.3823  2151.74  232.812  2330.40  328.886  1972.30  329.608  138.728   10.109  127.240   11.081 11.48768 14.99932 
1 1 1    1   21   20 o   83.939   4.7168  838.605   93.113  941.200  131.582  735.700  131.781   88.670   6.3258   78.163   7.2215 10.50706 9.600305 
1 1 1    1   21   21 o   46.332   2.7005  254.764   29.417  223.600   41.351  286.700   41.859   43.237   4.0991   49.064   3.6389 -5.826710 5.481260 
1 1 1    1   21   22 o   73.825   4.1969  648.749   72.861  716.300  102.966  581.000  103.117   77.336   5.6780   69.474   6.3561 7.862602 8.522861 
1 1 1    1   21   23 o  116.010   6.4079  1615.25  174.858  1784.90  247.141  1445.20  247.434  121.161   8.6960  108.546   9.7577 12.61473 13.07034 
1 1 1    1   21   24 o  162.712   9.0279  3232.64  345.511  3490.90  488.306  2973.70  488.948  166.635   12.501  152.811   13.696 13.82414 18.54295 
1 1 1    1   21   25 o   62.724   3.5918  468.772   52.979  456.700   74.685  481.000   75.165   61.606   5.1820   63.258   5.0746 -1.652534 7.252961 
1 1 1    1   21   26 o  105.910   5.6291  1350.77  140.274  1244.60  197.704  1458.40  199.059  100.446   8.4128  109.112   7.7768 -8.666328 11.45658 
1 1 1    1   21   27 o   15.622   1.7791   29.245   6.4460   31.700   8.9505   26.600   9.2910   16.180   2.4168   14.736   2.7718 1.443618 3.677468 
1 1 1    1   21   28 o   43.086   2.5962  221.049   26.290  200.400   36.958  242.200   37.406   40.796   3.8834   44.948   3.5532 -4.152718 5.263634 
1 1 1    1   21   29 o   81.344   4.3860  796.282   83.937  723.900  118.205  869.900  119.210   76.636   6.5962   84.340   6.0254 -7.703857 8.933907 
1 1 1    1   21   30 o  106.220   5.8486  1379.23  146.132  1333.30  206.067  1425.70  207.261  102.437   8.5986  106.170   8.3341 -3.732933 11.97466 
1 1 1    1   21   31 o   55.311   3.1872  366.254   41.451  340.800   58.177  392.500   59.075   52.916   4.7050   56.908   4.4311 -3.992031 6.463107 
1 1 1    1   21   32 o   56.200   3.2763  378.798   43.291  470.800   61.239  286.900   61.205   62.383   4.1814   48.184   5.4766 14.19965 6.890342 
1 1 1    1   21   33 o   58.630   3.4325  413.300   47.315  414.300   66.911  412.300   66.916   58.158   4.9184   58.010   4.9317 0.1471863 6.965082 
1 1 1    1   21   34 o   31.015   2.1264  114.846   15.479  129.700   21.931  100.100   21.850   32.829   2.8575   28.715   3.2814 4.114155 4.351149 
1 1 1    1   21   35 o   15.077   1.6923   27.305   5.9210   26.600   8.4011   28.000   8.3463   14.733   2.5045   15.142   2.4154 -0.4093981 3.479431 
1 1 1    1   21   36 o   77.638   4.4373  742.405   81.012  793.700  114.618  691.200  114.517   78.753   6.2139   72.994   6.7193 5.758553 9.152147 
1 1 1    1   21   37 o   36.404   2.3436  159.211   20.039  144.500   28.255  174.100   28.426   34.295   3.5400   37.797   3.2154 -3.502136 4.782253 
1 1 1    1   21   38 o   30.271   2.1735  110.161   15.433  116.000   21.805  104.300   21.846   30.811   3.0365   29.136   3.2296 1.675043 4.432898 
1 1 1    1   21   39 o   40.859   2.6271  202.252   25.212  202.700   35.586  201.800   35.727   40.367   3.7772   40.263   3.8027 0.1038399 5.359810 
1 1 1    1   21   40 o   33.437   2.2681  134.943   17.802  123.900   25.112  146.100   25.241   31.597   3.4203   34.466   3.1357 -2.868759 4.640163 
1 1 1    1   21   41 o   5.5878   1.7002   3.7420   2.4436   5.4000   3.3270   1.8000   3.6008   6.6656   1.9739   5.1266   2.0207 1.538982 2.824872 
1 1 1    1   21   42 o   40.064   2.6221  195.429   24.670  211.400   34.857  179.400   34.920   41.123   3.6267   37.643   3.9893 3.480167 5.391446 
1 1 1    1   21   43 o   19.690   1.8124   46.803   8.3320   47.100   11.718   46.500   11.850   19.529   2.6060   19.385   2.6587 0.1437511 3.722907 
1 1 1    1   21   44 o   8.7550   1.7406   9.5008   3.4718   9.3000   4.9201   9.7000   4.8997   8.6145   2.3524   8.7875   2.3252 -0.1730146 3.307603 
1 1 1    1   21   45 o   19.633   1.8387   46.789   8.4250   52.900   11.877   40.600   11.953   20.666   2.4836   17.902   2.9289 2.763744 3.840118 
1 1 1    1   21   46 o   25.125   1.9758   76.949   11.628   96.700   16.466   57.300   16.423   27.918   2.5249   20.995   3.4312 6.923710 4.260083 
1 1 1    1   21   47 o   12.376   1.6967   18.796   4.8276   17.000   6.8200   20.600   6.8347   11.506   2.5745   12.764   2.3544 -1.258063 3.488773 
1 1 1    1   21   48 o   24.284   1.9853   72.254   11.285   73.300   15.932   71.200   15.986   24.003   2.8677   23.617   2.9295 0.3860378 4.099455 
1 1 1    1   21   49 o   25.866   2.0434   82.416   12.379   79.400   17.275   85.600   17.749   24.801   3.0114   25.791   2.9684 -0.9899597 4.228499 
1 1 1    1   21   50 o   28.059   2.2030   98.400   14.479  107.900   20.371   88.700   20.584   28.687   3.0543   25.607   3.4954 3.079216 4.641778 
1 1 1    1   21   51 f   7.7764   1.9482   7.8136   3.5701   11.000   4.8086   3.9000   5.3291   9.1528   2.2425   6.3980   2.4766 2.754813 3.340985 
1 1 1    1   21   52 o   20.397   2.9165   57.600   13.647   57.600   13.647   0.0000   0.0000   20.397   2.9165  ?   ?  0.000000 2.916465 
1 1 1    1   21   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   21   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   21   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   22    0 o  119.980   9.4286  1740.20  263.333  1740.20  263.333  1740.20  263.333  119.980   9.4286  119.980   9.4286 -0.000000 0.000000 
1 1 1    1   22    1 o  273.902   14.192  9106.66  914.758  7597.20  1291.75 10625.10  1295.59  245.017   22.580  292.937   18.829 -47.91931 29.40113 
1 1 1    1   22    2 f   76.734   3.8753  698.302   69.992  816.300   99.848  584.300   98.142   82.853   5.1287   69.933   6.0012 12.91953 7.894166 
1 1 1    1   22    3 o  507.068   25.870 33044.08  3087.25 40895.40  4380.09 25292.80  4352.10  548.415   33.990  410.173   45.711 138.2426 56.96348 
1 1 1    1   22    4 o  145.467   7.5977  2524.05  260.074  2697.60  368.874  2352.50  366.737  149.722   10.500  139.576   11.222 10.14523 15.36817 
1 1 1    1   22    5 o  117.868   5.3948  1646.73  150.154  2128.70  213.810  1177.70  210.919  133.689   6.7952   98.913   9.1334 34.77608 11.38387 
1 1 1    1   22    6 o   37.398   2.4385  165.968   21.417  174.500   30.345  157.500   30.231   38.264   3.3936   36.317   3.5713 1.946575 4.926539 
1 1 1    1   22    7 f  302.955   16.182 11264.47  1153.46 10131.10  1629.13 12403.70  1633.34  280.140   24.887  312.757   22.261 -32.61725 33.39027 
1 1 1    1   22    8 o   94.330   4.8961  1057.01  108.683  890.000  153.161  1226.40  154.247   86.136   7.6083  101.410   6.4751 -15.27328 9.990653 
1 1 1    1   22    9 o  186.652   9.9433  4184.91  436.672  4668.00  617.990  3703.20  617.105  195.807   13.447  173.555   15.211 22.25163 20.30295 
1 1 1    1   22   10 o  171.048   9.2148  3508.34  370.818  3738.30  524.486  3278.50  524.345  175.371   12.753  163.819   13.680 11.55238 18.70208 
1 1 1    1   22   11 o   93.646   5.0945  1042.60  112.231  1200.60  158.868  885.200  158.570  100.266   6.7493   85.819   7.9140 14.44635 10.40115 
1 1 1    1   22   12 f   54.882   3.2396  357.455   41.798  336.600   59.119  378.300   59.104   53.087   4.7668   56.339   4.4797 -3.252026 6.541440 
1 1 1    1   22   13 o   93.807   4.9286  1045.90  108.792  813.500  153.511  1280.40  154.201   82.203   8.0101  103.612   6.3330 -21.40828 10.21122 
1 1 1    1   22   14 o  268.547   14.564  8836.33  920.079  8269.80  1300.19  9404.60  1302.19  254.065   21.886  272.411   20.392 -18.34587 29.91311 
1 1 1    1   22   15 o  136.210   7.1049  2215.54  227.730  2575.60  322.696  1858.30  321.426  146.297   9.3907  123.670   11.126 22.62684 14.55902 
1 1 1    1   22   16 o   14.626   1.7780   25.645   6.0143   23.600   8.3958   27.800   8.6196   13.898   2.6551   15.137   2.4987 -1.238882 3.645974 
1 1 1    1   22   17 o  217.784   11.947  5770.10  612.069  6105.80  864.947  5433.40  866.246  221.005   16.697  207.605   17.844 13.39900 24.43744 
1 1 1    1   22   18 o  178.061   9.2903  3819.22  389.270  3517.70  549.262  4123.50  551.768  168.802   13.903  183.423   12.820 -14.62114 18.91160 
1 1 1    1   22   19 o  125.471   6.5422  1881.72  193.164  1711.20  272.397  2054.20  273.959  118.724   9.8041  130.434   8.9488 -11.71046 13.27408 
1 1 1    1   22   20 o   35.431   2.3838  149.095   19.828  155.600   27.945  142.500   28.139   36.102   3.3151   34.512   3.5013 1.590004 4.821691 
1 1 1    1   22   21 o  136.945   7.5691  2256.95  243.818  2432.20  344.418  2080.90  345.203  141.011   10.417  129.944   11.364 11.06711 15.41656 
1 1 1    1   22   22 o   95.490   5.2433  1089.61  117.776  1319.50  166.576  859.800  166.546  104.710   6.7732   83.928   8.5218 20.78259 10.88565 
1 1 1    1   22   23 o   93.218   5.0291  1038.83  110.291  982.400  155.200  1096.40  156.761   90.004   7.3670   95.225   7.0210 -5.220932 10.17679 
1 1 1    1   22   24 o   39.767   2.5721  188.053   24.024  195.800   33.861  180.200   34.090   40.449   3.5821   38.762   3.7722 1.687321 5.202060 
1 1 1    1   22   25 o   74.399   4.0234  661.084   70.423  596.800   99.161  726.500  100.030   70.168   6.0436   77.632   5.4921 -7.464035 8.166253 
1 1 1    1   22   26 o  151.906   8.4897  2854.84  303.312  2874.60  427.986  2834.90  429.916  148.798   12.291  147.588   12.452 1.210480 17.49616 
1 1 1    1   22   27 o   78.190   4.3082  733.521   79.238  687.900  111.720  779.700  112.402   75.005   6.3680   80.038   5.9907 -5.032204 8.742983 
1 1 1    1   22   28 o   73.759   4.1253  653.345   71.563  620.600  100.968  686.400  101.445   71.188   6.0642   75.014   5.7713 -3.826050 8.371504 
1 1 1    1   22   29 o   97.890   5.1640  1162.38  118.945  1036.50  167.475  1290.50  168.962   90.823   7.8873  102.002   7.0583 -11.17858 10.58433 
1 1 1    1   22   30 o   61.827   3.3889  457.940   49.288  404.700   69.250  512.600   70.168   57.561   5.1492   65.040   4.5984 -7.478596 6.903599 
1 1 1    1   22   31 o   70.218   3.7066  592.675   61.241  505.200   86.087  682.300   87.138   64.004   5.7575   74.843   4.9586 -10.83860 7.598511 
1 1 1    1   22   32 o   65.923   3.8038  523.888   58.962  521.900   83.125  525.900   83.646   65.098   5.4579   65.342   5.4715 -0.2438965 7.728273 
1 1 1    1   22   33 o   38.148   2.4393  173.947   21.859  163.900   30.833  184.100   30.994   36.760   3.5982   39.032   3.3965 -2.272560 4.948095 
1 1 1    1   22   34 o   38.156   2.4980  174.323   22.383  182.300   31.610  166.300   31.699   38.772   3.4900   36.962   3.6808 1.809563 5.072346 
1 1 1    1   22   35 o   58.187   3.3816  409.799   46.263  387.500   65.279  432.300   65.574   55.768   5.0106   59.083   4.7400 -3.315163 6.897347 
1 1 1    1   22   36 o   6.2727   1.7908   4.7914   2.7838   8.3000   3.7732   0.6000   4.1240   8.1862   1.9747   5.0151   2.0924 3.171073 2.877063 
1 1 1    1   22   37 o   50.750   3.0909  312.954   36.864  314.800   52.076  311.100   52.192   50.157   4.4428   49.835   4.4831 0.3228073 6.311671 
1 1 1    1   22   38 o   36.143   2.3442  157.415   19.899  140.800   28.029  174.300   28.255   33.722   3.5745   37.719   3.2026 -3.997433 4.799291 
1 1 1    1   22   39 o   24.717   1.9446   73.483   11.258   70.300   15.878   76.700   15.965   23.917   2.8687   25.035   2.7457 -1.118013 3.970986 
1 1 1    1   22   40 o   13.603   1.6943   22.401   5.3246   22.300   7.5642   22.500   7.4965   13.396   2.4827   13.465   2.4478 -0.6938934E-01 3.486527 
1 1 1    1   22   41 o   41.441   2.6587  208.942   25.879  221.300   36.611  196.600   36.587   42.070   3.7238   39.482   3.9786 2.587700 5.449386 
1 1 1    1   22   42 o   29.850   2.1393  107.670   14.979  102.300   21.125  113.100   21.243   28.704   3.1695   30.266   3.0124 -1.561523 4.372678 
1 1 1    1   22   43 o   8.5003   1.7005   8.9462   3.2941   6.9000   4.6000   11.100   4.7195   7.5495   2.3391   9.4096   2.1686 -1.860109 3.189644 
1 1 1    1   22   44 o   29.921   2.1920  109.021   15.380  115.500   21.716  102.500   21.785   30.370   3.0703   28.468   3.3020 1.901550 4.508845 
1 1 1    1   22   45 o   28.907   2.1653  102.036   14.673  106.100   20.661   97.900   20.842   29.014   3.0618   27.756   3.2410 1.257877 4.458556 
1 1 1    1   22   46 f   26.505   2.0836   85.998   12.936   94.800   18.245   77.100   18.344   27.422   2.8596   24.479   3.2541 2.943506 4.332048 
1 1 1    1   22   47 o   19.345   1.8229   45.688   8.2289   44.100   11.594   47.300   11.682   18.642   2.7133   19.360   2.6229 -0.7173328 3.773769 
1 1 1    1   22   48 o   9.9812   1.8317   12.445   4.1582   13.400   5.6302   11.300   6.1675   10.221   2.3777   9.3698   2.6623 0.8508120 3.569470 
1 1 1    1   22   49 o   40.204   2.7104  205.151   25.581  205.300   36.089  205.000   36.265   38.679   4.0095   38.615   4.0368 0.6399918E-01 5.689645 
1 1 1    1   22   50 o   15.208   1.8214   28.775   6.4108   28.300   8.8475   29.300   9.3022   14.687   2.6485   14.897   2.7455 -0.2102757 3.814813 
1 1 1    1   22   51 o   23.802   3.0844   77.900   16.928   77.900   16.928   0.0000   0.0000   23.802   3.0844  ?   ?  0.000000 3.084426 
1 1 1    1   22   52 o   6.2074   2.3163   4.3000   4.5577   4.3000   4.5577   0.0000   0.0000   6.2074   2.3163  ?   ?  0.000000 2.316286 
1 1 1    1   22   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   23    0 o  346.975   27.948 15242.80  2255.72 15242.80  2255.72 15242.80  2255.72  346.975   27.948  346.975   27.948 -0.000000 0.000000 
1 1 1    1   23    1 o   92.604   5.1434  1019.35  112.030  993.400  158.905  1045.00  157.967   91.076   7.4541   93.466   7.2131 -2.390831 10.37264 
1 1 1    1   23    2 o   52.319   3.0468  324.699   37.479  346.600   53.250  303.200   52.760   53.951   4.2132   50.407   4.4792 3.543602 6.149335 
1 1 1    1   23    3 o  280.879   14.303  9607.11  945.535 10791.70  1340.89  8435.50  1333.52  294.036   19.422  257.757   22.124 36.27924 29.43892 
1 1 1    1   23    4 f  108.604   5.6139  1402.56  143.478  1009.70  202.680  1797.20  203.138   91.409   9.5300  122.745   7.0379 -31.33604 11.84701 
1 1 1    1   23    5 o  127.531   6.0647  1930.55  182.635  2450.50  259.536  1420.50  257.053  143.248   7.7009  108.423   10.159 34.82509 12.74759 
1 1 1    1   23    6 o   83.273   4.5814  823.721   89.741  921.000  127.030  726.800  126.796   87.863   6.1616   77.876   6.9687 9.987228 9.302081 
1 1 1    1   23    7 o  245.666   12.531  7310.10  724.507  8693.30  1026.58  5937.50  1022.64  265.589   16.450  216.983   20.191 48.60629 26.04340 
1 1 1    1   23    8 o  180.351   8.6610  3884.18  368.850  4925.80  523.719  2859.00  519.570  202.114   11.015  152.527   14.604 49.58675 18.29237 
1 1 1    1   23    9 o  122.685   6.5568  1793.92  189.267  1624.00  267.286  1964.80  268.043  116.016   9.8496  127.915   8.9300 -11.89925 13.29512 
1 1 1    1   23   10 o   41.332   2.5621  202.686   24.883  174.700   35.087  231.000   35.293   38.218   3.9447   44.060   3.4190 -5.842251 5.220175 
1 1 1    1   23   11 o  212.317   11.367  5447.14  567.829  5873.70  803.698  5022.00  802.366  218.272   15.698  200.973   17.069 17.29893 23.18979 
1 1 1    1   23   12 o  311.328   17.210 12028.81  1260.31 12050.50  1781.97 12007.10  1782.73  303.513   25.088  302.889   25.153 0.6237488 35.52594 
1 1 1    1   23   13 o  159.868   8.5769  3063.73  322.599  2898.60  455.786  3229.50  456.664  154.132   12.634  163.014   11.947 -8.882248 17.38785 
1 1 1    1   23   14 o  162.025   8.6907  3149.87  331.291  2989.90  468.106  3310.40  468.928  156.396   12.787  164.888   12.129 -8.492050 17.62428 
1 1 1    1   23   15 o  153.758   8.3148  2835.62  300.769  2742.80  425.292  2928.50  425.412  149.905   12.118  155.093   11.702 -5.188736 16.84612 
1 1 1    1   23   16 o  119.635   6.3952  1708.09  180.011  1566.20  254.027  1851.20  255.124  113.789   9.5422  123.992   8.7701 -10.20333 12.96025 
1 1 1    1   23   17 o  192.255   10.381  4476.26  469.543  4737.80  664.471  4215.40  663.597  195.524   14.495  183.797   15.433 11.72737 21.17250 
1 1 1    1   23   18 f  194.427   10.573  4591.28  483.608  4745.60  684.076  4437.10  683.773  194.995   14.971  188.134   15.530 6.861206 21.57128 
1 1 1    1   23   19 o   86.862   4.8176  898.869   98.427  855.900  139.146  941.900  139.249   84.319   7.0532   88.560   6.7085 -4.240448 9.734100 
1 1 1    1   23   20 o  165.259   8.0070  3284.98  312.461  2688.60  440.126  3891.00  443.667  146.937   12.813  178.355   10.582 -31.41791 16.61766 
1 1 1    1   23   21 o  167.971   9.2670  3437.79  366.143  3730.50  517.551  3144.50  518.058  172.628   12.787  157.479   14.080 15.14922 19.01999 
1 1 1    1   23   22 o   73.154   4.1290  638.019   71.034  629.400  100.277  646.700  100.639   72.287   5.9268   73.294   5.8639 -1.007561 8.337394 
1 1 1    1   23   23 o  122.258   6.6433  1805.37  191.069  1749.10  269.669  1862.10  270.760  118.840   9.6941  122.804   9.4086 -3.963326 13.50915 
1 1 1    1   23   24 o   25.426   1.9811   76.950   11.800   80.600   16.688   73.300   16.688   25.929   2.7684   24.691   2.9188 1.238407 4.022830 
1 1 1    1   23   25 o   48.579   2.8183  280.935   32.190  254.800   45.254  307.700   45.798   46.016   4.2114   50.674   3.8563 -4.657726 5.710250 
1 1 1    1   23   26 o  120.818   6.7430  1783.61  191.607  1846.70  270.738  1720.30  271.209  120.925   9.5593  116.366   9.9661 4.559250 13.80953 
1 1 1    1   23   27 o   44.410   2.5904  234.920   27.048  203.400   37.997  267.300   38.511   41.060   3.9684   47.225   3.4779 -6.165047 5.276770 
1 1 1    1   23   28 o   69.470   3.9404  579.647   64.374  567.400   90.661  592.100   91.422   68.108   5.6892   69.618   5.6088 -1.509453 7.989085 
1 1 1    1   23   29 o   26.957   2.0346   86.633   12.856   83.200   18.136   90.100   18.226   26.266   2.9765   27.368   2.8627 -1.101261 4.129730 
1 1 1    1   23   30 o   85.767   4.8492  893.467   97.806  897.300  138.022  889.600  138.617   84.718   6.9610   84.307   7.0269 0.4101944 9.891012 
1 1 1    1   23   31 o   73.401   4.0047  650.165   69.149  590.600   97.122  711.400   98.475   69.014   6.0199   76.067   5.5200 -7.052933 8.167561 
1 1 1    1   23   32 f   19.158   1.8270   43.920   8.1649   45.100   11.451   42.700   11.645   19.292   2.5782   18.736   2.7109 0.5552387 3.741135 
1 1 1    1   23   33 o   30.868   2.1494  113.824   15.569  109.100   21.846  118.700   22.194   30.021   3.1275   31.348   3.0363 -1.327303 4.358939 
1 1 1    1   23   34 o   16.857   1.7564   34.097   6.8884   37.000   9.6657   31.100   9.8196   17.451   2.4099   15.910   2.7108 1.540562 3.627135 
1 1 1    1   23   35 o   8.5045   1.7177   8.9000   3.3308   8.9000   4.6614   8.9000   4.7610   8.4900   2.2779   8.4955   2.3116 -0.5537987E-02 3.245361 
1 1 1    1   23   36 o   37.376   2.4356  168.123   21.378  160.100   30.183  176.200   30.284   36.071   3.5914   37.926   3.4183 -1.855400 4.958120 
1 1 1    1   23   37 o   31.843   2.2364  122.008   16.710  124.200   23.587  119.800   23.676   31.830   3.1807   31.228   3.2587 0.6023655 4.553670 
1 1 1    1   23   38 f   52.987   3.2190  343.651   40.085  351.700   56.686  335.600   56.691   52.652   4.6057   51.329   4.7305 1.323090 6.602262 
1 1 1    1   23   39 o   45.613   2.8439  253.385   30.479  249.100   43.026  257.700   43.181   44.476   4.1445   45.284   4.0821 -0.8078728 5.817268 
1 1 1    1   23   40 o   7.1395   1.7177   6.3249   2.8606   8.6000   4.0237   4.0000   4.0676   8.3084   2.0609   6.2014   2.2069 2.106960 3.019594 
1 1 1    1   23   41 o   38.991   2.5544  184.803   23.389  192.000   33.071  177.600   33.083   39.196   3.6138   37.591   3.7781 1.604610 5.228163 
1 1 1    1   23   42 o   21.567   1.8737   56.168   9.4478   59.000   13.320   53.300   13.403   21.881   2.6306   20.720   2.8120 1.160385 3.850640 
1 1 1    1   23   43 o   29.685   2.1750  107.064   15.140  108.600   21.312  105.500   21.510   29.474   3.1091   29.003   3.1937 0.4713097 4.457150 
1 1 1    1   23   44 o   27.709   2.1057   93.470   13.675  109.600   19.327   77.300   19.351   29.692   2.7892   24.577   3.4277 5.115078 4.419096 
1 1 1    1   23   45 o   3.2769   1.3546   0.3627   1.7056   2.3000   2.2602  -2.2000   2.5995   4.6649   1.6467   3.1546   1.4628 1.510223 2.202620 
1 1 1    1   23   46 o   13.035   1.7128   20.826   5.1445   22.500   7.2205   19.100   7.3316   13.350   2.3777   12.200   2.6230 1.150270 3.540271 
1 1 1    1   23   47 o   9.3494   1.7646   10.897   3.7530   10.500   5.2871   11.300   5.3283   9.0638   2.4234   9.3968   2.3944 -0.3329992 3.406781 
1 1 1    1   23   48 o   7.1522   1.8935   6.4523   3.2481   7.6000   4.2283   4.8000   5.0734   7.7511   2.2051   6.7388   2.4561 1.012312 3.300694 
1 1 1    1   23   49 o   9.9137   1.9870   12.481   4.4895   17.300   6.0327   6.5000   6.7212   11.609   2.2821   7.6774   2.8226 3.931129 3.629723 
1 1 1    1   23   50 o   9.5693   1.9901   11.790   4.3504   18.100   6.4097   6.4000   5.9238   11.735   2.3941   7.3809   2.6594 4.354273 3.578335 
1 1 1    1   23   51 o   5.5308   2.1744   2.7000   4.1590   2.7000   4.1590   0.0000   0.0000   5.5308   2.1744  ?   ?  0.000000 2.174387 
1 1 1    1   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   23   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   23   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   24    0 o  214.642   16.821  5650.20  840.527  5650.20  840.527  5650.20  840.527  214.642   16.821  214.642   16.821 0.000000 0.000000 
1 1 1    1   24    1 o  118.612   5.0259  1667.31  140.767  2195.00  200.954  1158.90  197.247  135.953   6.2596   98.172   8.5952 37.78093 10.63299 
1 1 1    1   24    2 o   96.636   5.4088  1110.82  122.929  1035.00  174.279  1185.90  173.420   92.845   8.0282   99.541   7.4315 -6.695564 10.93979 
1 1 1    1   24    3 o  163.094   8.8361  3186.36  339.032  2626.90  479.554  3745.40  479.373  146.398   14.044  175.979   11.601 -29.58183 18.21613 
1 1 1    1   24    4 f  194.262   7.7906  4496.44  357.373  6017.90  510.191  3030.80  500.745  224.199   9.6369  157.500   13.597 66.69931 16.66602 
1 1 1    1   24    5 o   44.814   2.4941  238.075   26.289  163.700   36.952  314.300   37.408   36.934   4.3185   51.465   3.0925 -14.53120 5.311583 
1 1 1    1   24    6 o   17.457   1.8324   36.396   7.4411   20.300   10.555   52.300   10.492   12.875   3.4156   20.929   2.1537 -8.053772 4.037899 
1 1 1    1   24    7 o   68.208   3.9632  552.486   63.557  592.300   89.564  512.100   90.206   70.460   5.4247   65.419   5.9030 5.041550 8.017079 
1 1 1    1   24    8 o  140.130   7.4938  2345.51  247.070  2586.40  349.693  2105.40  349.127  146.478   10.173  131.750   11.332 14.72827 15.22873 
1 1 1    1   24    9 o  163.791   8.7722  3215.31  338.050  2937.60  477.829  3493.60  478.321  155.083   13.173  169.670   12.016 -14.58630 17.83008 
1 1 1    1   24   10 o   52.928   3.1743  332.483   39.489  307.500   55.939  357.300   55.754   50.723   4.7246   54.755   4.3479 -4.031925 6.420755 
1 1 1    1   24   11 o  207.884   10.380  5195.64  509.531  6141.40  723.156  4263.20  718.043  224.134   13.730  185.104   16.604 39.03000 21.54531 
1 1 1    1   24   12 o  249.423   13.511  7602.16  792.799  8255.60  1121.69  6949.90  1120.69  256.090   18.678  233.361   20.547 22.72903 27.76737 
1 1 1    1   24   13 f  204.266   10.024  5018.44  483.509  3959.80  681.420  6091.90  686.174  178.102   16.386  223.282   13.071 -45.18010 20.96119 
1 1 1    1   24   14 o  184.676   9.8335  4112.21  427.284  4401.40  605.309  3825.00  603.236  189.300   13.633  175.875   14.659 13.42458 20.01818 
1 1 1    1   24   15 o  138.387   6.9185  2283.27  226.083  1817.10  318.684  2755.60  320.784  122.033   11.184  151.260   9.0221 -29.22726 14.36910 
1 1 1    1   24   16 o  202.542   9.9600  4950.30  476.363  6193.30  675.968  3724.00  671.412  224.657   12.795  171.647   16.780 53.00914 21.10139 
1 1 1    1   24   17 o  247.790   13.238  7575.14  771.789  6453.30  1090.16  8702.40  1092.79  221.487   21.099  261.168   17.826 -39.68158 27.62134 
1 1 1    1   24   18 o   12.868   1.7696   19.936   5.2351   18.600   7.3649   21.300   7.4429   12.307   2.6148   13.206   2.4777 -0.8990698 3.602261 
1 1 1    1   24   19 o   44.002   2.7507  230.018   28.438  209.400   40.138  250.800   40.296   41.806   4.1195   45.838   3.7558 -4.032795 5.574596 
1 1 1    1   24   20 o  104.338   5.7247  1303.90  140.506  1378.10  198.768  1229.80  198.643  106.583   7.9549  100.479   8.4506 6.104523 11.60579 
1 1 1    1   24   21 o   63.144   3.5114  474.537   52.151  532.600   74.116  417.600   73.393   66.700   4.7365   58.903   5.3345 7.796795 7.133852 
1 1 1    1   24   22 o   55.407   3.1476  365.295   41.012  334.200   57.630  397.200   58.376   52.734   4.6765   57.593   4.3240 -4.858746 6.369202 
1 1 1    1   24   23 o   38.634   2.5012  177.561   22.696  187.800   32.080  167.300   32.113   39.605   3.4650   37.327   3.6917 2.278389 5.063132 
1 1 1    1   24   24 o   94.381   5.2874  1073.26  117.364  1114.50  165.765  1031.80  166.191   95.270   7.4271   91.483   7.7666 3.787209 10.74622 
1 1 1    1   24   25 o   71.380   4.1160  610.680   69.082  668.200   97.586  552.900   97.807   74.215   5.6099   67.256   6.2292 6.958626 8.382977 
1 1 1    1   24   26 o   51.620   3.1208  318.211   37.862  340.600   53.471  295.700   53.618   53.149   4.2973   49.408   4.6504 3.741138 6.331890 
1 1 1    1   24   27 o   21.364   1.9279   54.506   9.6212   61.300   13.457   47.400   13.761   22.575   2.5701   19.728   3.0526 2.847023 3.990418 
1 1 1    1   24   28 o   15.875   1.8096   30.234   6.6624   41.200   9.3454   18.900   9.5006   18.511   2.1797   12.363   3.2218 6.148432 3.889882 
1 1 1    1   24   29 o   67.825   3.6670  552.535   58.512  495.200   82.072  611.800   83.441   63.511   5.5276   70.867   5.0187 -7.356792 7.466050 
1 1 1    1   24   30 o   13.664   1.8475   22.530   5.8081   29.400   8.0577   15.100   8.3796   15.575   2.2567   11.086   3.0869 4.488544 3.823842 
1 1 1    1   24   31 o   41.750   2.6383  208.481   25.877  204.000   36.520  213.000   36.671   41.011   3.8148   41.933   3.7427 -0.9225044 5.344252 
1 1 1    1   24   32 o   15.457   1.7318   28.681   6.2121   28.200   8.6266   29.200   8.9530   15.193   2.4909   15.456   2.5413 -0.2634993 3.558534 
1 1 1    1   24   33 o   31.194   2.1906  116.406   16.033  110.800   22.586  122.100   22.764   30.200   3.2166   31.755   3.0743 -1.555183 4.449480 
1 1 1    1   24   34 o   47.648   2.8042  273.309   31.412  249.400   44.159  297.800   44.693   44.969   4.2075   49.327   3.8680 -4.357830 5.715309 
1 1 1    1   24   35 o   31.511   2.2042  119.188   16.298  116.500   22.999  121.900   23.099   30.873   3.2012   31.609   3.1361 -0.7354050 4.481391 
1 1 1    1   24   36 o   24.585   1.9657   72.566   11.316   77.300   15.976   67.800   16.031   25.191   2.7293   23.512   2.9526 1.679716 4.020793 
1 1 1    1   24   37 o   64.203   3.8152  510.207   57.581  539.800   81.422  480.600   81.442   64.603   5.3865   60.562   5.7644 4.041420 7.889424 
1 1 1    1   24   38 o   40.882   2.3333  201.544   22.432  157.300   31.393  247.700   32.064   35.476   3.8070   45.022   3.0337 -9.545677 4.867948 
1 1 1    1   24   39 o   62.988   3.7386  493.116   55.358  481.300   78.177  505.000   78.400   60.471   5.5362   62.103   5.4000 -1.631470 7.733659 
1 1 1    1   24   40 o   59.845   3.6267  445.233   51.008  458.200   72.046  432.200   72.228   59.175   5.2091   57.250   5.4068 1.924618 7.507835 
1 1 1    1   24   41 o   21.957   1.8791   58.155   9.6490   60.700   13.633   55.600   13.659   22.210   2.6518   21.196   2.7974 1.014444 3.854535 
1 1 1    1   24   42 o   30.129   2.1753  110.145   15.372  109.500   21.659  110.800   21.821   29.615   3.1453   29.789   3.1499 -0.1745720 4.451351 
1 1 1    1   24   43 o   11.567   1.6877   16.366   4.4740   20.900   6.3516   11.900   6.3032   12.982   2.1470   9.6948   2.6689 3.287099 3.425315 
1 1 1    1   24   44 o   51.295   3.2610  332.644   39.294  357.600   55.521  307.600   55.620   51.546   4.6102   47.199   5.0699 4.346622 6.852528 
1 1 1    1   24   45 o   6.7615   1.6984   5.7204   2.7082   4.1000   3.7961   7.4000   3.8647   6.1075   2.1358   7.6708   2.0808 -1.563264 2.981842 
1 1 1    1   24   46 o   12.661   1.6999   19.660   4.9537   20.100   6.9300   19.200   7.0837   12.583   2.4202   12.256   2.5314 0.3268013 3.502193 
1 1 1    1   24   47 o   14.124   1.6905   24.433   5.5262   30.600   7.9264   18.600   7.7085   15.649   2.2061   11.952   2.7832 3.697389 3.551532 
1 1 1    1   24   48 o   13.498   1.6375   22.366   5.1123   12.100   6.9459   34.500   7.5517   9.6361   2.8518   16.687   1.9535 -7.050550 3.456718 
1 1 1    1   24   49 o   5.1426   1.8833   2.7147   2.9883   8.5000   4.4339  -2.1000   4.0449   8.1040   2.2415   4.1578   1.8893 3.946126 2.931520 
1 1 1    1   24   50 f   30.065   2.3774  116.929   16.740  138.200   23.576   95.300   23.773   31.622   3.2014   25.046   4.1660 6.575991 5.254014 
1 1 1    1   24   51 f   5.0851   2.1312   1.2000   4.3065   1.2000   4.3065   0.0000   0.0000   5.0851   2.1312  ?   ?  0.000000 2.131168 
1 1 1    1   24   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   24   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   25    0 o  394.712   32.520 20227.00  2983.74 20227.00  2983.74 20227.00  2983.74  394.712   32.520  394.712   32.520 -0.000000 0.000000 
1 1 1    1   25    1 o  214.297   11.507  5548.24  580.146  5638.70  821.858  5458.40  819.051  213.564   16.423  209.971   16.656 3.593094 23.39076 
1 1 1    1   25    2 o  127.168   6.1877  1920.73  185.809  2260.00  264.325  1589.30  261.250  137.403   8.1838  114.786   9.7300 22.61677 12.71402 
1 1 1    1   25    3 o  263.788   13.641  8474.89  846.819  6151.60  1196.69 10805.10  1198.47  218.015   23.623  295.284   17.263 -77.26981 29.25872 
1 1 1    1   25    4 o   74.964   4.0101  667.061   70.728  735.200  100.616  600.500   99.444   78.540   5.4591   70.867   5.9989 7.672890 8.110955 
1 1 1    1   25    5 o  125.484   6.6584  1877.32  196.591  1563.50  277.832  2192.00  278.213  113.638   10.472  135.163   8.7640 -21.52563 13.65509 
1 1 1    1   25    6 o  172.341   9.2912  3565.24  376.716  3089.10  532.781  4041.30  532.733  158.554   14.387  182.364   12.445 -23.80989 19.02282 
1 1 1    1   25    7 o   67.759   3.8923  545.208   62.017  570.300   87.517  519.900   87.894   69.127   5.4045   65.940   5.7008 3.186424 7.855429 
1 1 1    1   25    8 f   94.252   5.0201  1056.23  111.326  1219.80  157.737  893.900  157.141  101.056   6.6472   86.232   7.8017 14.82446 10.24945 
1 1 1    1   25    9 o   75.674   4.2533  680.359   75.696  685.600  106.961  675.100  107.140   75.729   6.0313   75.134   6.0912 0.5951614 8.572062 
1 1 1    1   25   10 o  179.621   8.7277  3861.26  370.182  4653.60  525.863  3082.90  521.202  195.948   11.414  158.240   14.096 37.70879 18.13811 
1 1 1    1   25   11 o  162.854   7.7638  3166.29  298.563  4033.30  424.152  2314.80  420.339  182.937   9.8551  137.281   13.127 45.65575 16.41434 
1 1 1    1   25   12 o  139.861   7.1067  2337.56  233.934  2881.10  331.629  1799.20  330.042  154.736   9.1163  121.370   11.659 33.36584 14.80023 
1 1 1    1   25   13 o  150.566   8.1386  2720.17  288.286  2773.70  408.006  2666.80  407.391  150.841   11.542  147.797   11.771 3.043610 16.48549 
1 1 1    1   25   14 o   78.779   4.2879  737.841   79.466  823.600  112.685  653.000  112.080   83.021   5.7841   73.751   6.5023 9.269699 8.702609 
1 1 1    1   25   15 o  258.737   12.860  8209.81  785.698 10056.80  1114.98  6388.00  1107.35  282.276   16.803  220.215   21.572 62.06178 27.34422 
1 1 1    1   25   16 o   80.320   4.5089  768.058   85.172  761.700  120.524  774.400  120.377   79.639   6.4647   80.318   6.4001 -0.6787567 9.096950 
1 1 1    1   25   17 o  201.456   10.957  4969.53  519.295  5354.00  734.893  4586.10  733.895  205.766   15.233  189.210   16.593 16.55569 22.52523 
1 1 1    1   25   18 f   32.543   2.2731  125.855   17.358  132.200   24.538  119.500   24.558   33.259   3.1625   31.582   3.3440 1.677290 4.602530 
1 1 1    1   25   19 o   94.622   5.2499  1070.94  116.842  1032.90  165.329  1108.90  165.152   92.252   7.6587   95.702   7.3646 -3.450439 10.62512 
1 1 1    1   25   20 o   78.200   3.8605  726.540   71.286  916.000  101.359  541.100  100.278   87.500   4.9256   66.825   6.4344 20.67532 8.103255 
1 1 1    1   25   21 o   67.623   3.8744  545.587   61.610  532.600   87.087  558.600   87.174   66.434   5.6037   68.081   5.4686 -1.647362 7.829837 
1 1 1    1   25   22 o   64.116   3.5580  490.229   53.657  408.200   75.689  573.100   76.076   58.045   5.5913   69.097   4.6904 -11.05284 7.298124 
1 1 1    1   25   23 o   74.948   4.2354  672.822   74.652  702.500  105.712  643.300  105.435   76.077   5.9314   72.688   6.2020 3.388771 8.581758 
1 1 1    1   25   24 o   47.971   2.7740  274.076   31.288  325.500   44.590  224.200   43.914   52.137   3.6448   43.071   4.3786 9.065681 5.697022 
1 1 1    1   25   25 o   65.441   3.7846  513.151   58.234  507.500   82.363  518.800   82.348   64.574   5.4525   65.316   5.3872 -0.7424393 7.664933 
1 1 1    1   25   26 o   52.558   2.9583  329.707   36.565  287.900   51.353  372.700   52.076   48.742   4.5129   55.653   3.9892 -6.910896 6.023229 
1 1 1    1   25   27 o   21.161   1.8924   53.472   9.3561   56.400   13.076   50.400   13.393   21.631   2.6129   20.386   2.8610 1.244644 3.874566 
1 1 1    1   25   28 o   51.255   2.9984  314.171   36.132  286.600   50.845  342.300   51.356   48.560   4.4848   53.216   4.1189 -4.656281 6.089208 
1 1 1    1   25   29 o  106.574   5.9464  1399.62  149.051  1361.50  210.164  1438.20  211.423  102.657   8.7534  105.739   8.5404 -3.082542 12.22948 
1 1 1    1   25   30 o   87.320   4.9960  931.803  102.587  982.300  144.932  881.100  145.228   88.244   7.0132   83.194   7.4723 5.050209 10.24791 
1 1 1    1   25   31 o   28.297   2.0438   95.593   13.565   84.800   19.048  106.700   19.323   26.443   3.1099   29.772   2.7808 -3.328918 4.171845 
1 1 1    1   25   32 o   35.374   2.4129  149.866   20.035  153.600   28.090  146.000   28.584   35.574   3.3847   34.629   3.5455 0.9446335 4.901703 
1 1 1    1   25   33 o   38.291   2.5340  176.057   22.783  179.600   31.968  172.400   32.477   38.365   3.5696   37.533   3.7131 0.8328590 5.150673 
1 1 1    1   25   34 o   36.336   2.4238  158.705   20.678  159.400   29.133  158.000   29.353   36.088   3.4612   35.911   3.5062 0.1766281 4.926770 
1 1 1    1   25   35 o   34.416   2.3552  142.530   19.025  147.500   26.825  137.500   26.987   34.700   3.3141   33.436   3.4685 1.264530 4.797256 
1 1 1    1   25   36 o   11.042   1.7034   14.850   4.2985   13.100   6.0790   16.600   6.0790   10.237   2.5295   11.569   2.3062 -1.332108 3.422974 
1 1 1    1   25   37 o   21.175   1.7633   53.835   8.7365   44.100   12.254   63.900   12.459   18.887   2.8351   22.948   2.3316 -4.061438 3.670717 
1 1 1    1   25   38 o   51.910   3.1928  330.381   38.947  358.300   55.049  302.400   55.110   53.183   4.4235   48.480   4.8803 4.702961 6.586729 
1 1 1    1   25   39 o   42.551   2.7134  220.304   27.121  222.800   38.326  217.800   38.385   42.143   3.8953   41.629   3.9522 0.5145187 5.549226 
1 1 1    1   25   40 o   23.769   1.9479   68.122   10.837   71.300   15.273   64.900   15.379   24.085   2.7339   22.906   2.9088 1.178835 3.991964 
1 1 1    1   25   41 o   19.786   1.8177   47.295   8.3977   53.300   11.881   41.300   11.871   20.829   2.4634   18.172   2.8610 2.656397 3.775386 
1 1 1    1   25   42 o   23.745   1.9455   68.308   10.813   69.000   15.207   67.600   15.378   23.559   2.7875   23.287   2.8564 0.2717762 3.991201 
1 1 1    1   25   43 o   12.114   1.6973   17.941   4.7219   24.000   6.7396   12.100   6.6176   13.931   2.1153   9.7663   2.7517 4.164618 3.470786 
1 1 1    1   25   44 o   20.427   1.8592   50.795   8.8696   53.800   12.555   47.800   12.532   20.730   2.6234   19.442   2.8114 1.287966 3.845307 
1 1 1    1   25   45 o   17.940   1.7907   39.252   7.4846   39.100   10.654   39.400   10.516   17.586   2.6478   17.676   2.5970 -0.8972740E-01 3.708804 
1 1 1    1   25   46 f   36.123   2.4835  162.203   21.055  164.000   29.751  160.400   29.802   35.364   3.6134   34.918   3.6692 0.4457016 5.149743 
1 1 1    1   25   47 f   18.234   1.8122   40.746   7.6992   38.600   10.756   43.000   11.025   17.362   2.7124   18.391   2.6121 -1.029348 3.765666 
1 1 1    1   25   48 f   18.265   1.8846   41.290   8.0116   44.100   11.157   38.300   11.511   18.501   2.6277   17.029   2.9707 1.472143 3.966088 
1 1 1    1   25   49 o   22.007   1.9923   60.867   10.241   55.500   14.374   66.400   14.595   20.170   3.1186   22.340   2.8301 -2.170288 4.211332 
1 1 1    1   25   50 o   13.324   1.9196   22.732   5.8652   21.200   8.3835   24.200   8.2086   12.260   2.9348   13.277   2.7099 -1.016814 3.994533 
1 1 1    1   25   51 o   7.8446   2.6147   8.3000   5.6750   8.3000   5.6750   0.0000   0.0000   7.8446   2.6147  ?   ?  0.000000 2.614673 
1 1 1    1   25   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   25   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   26    0 o  102.826   8.1332  1278.20  194.640  1278.20  194.640  1278.20  194.640  102.826   8.1332  102.826   8.1332 -0.000000 0.000000 
1 1 1    1   26    1 o  200.121   10.834  4832.74  510.055  4774.00  722.206  4891.20  720.451  196.600   15.687  199.147   15.441 -2.546753 22.01171 
1 1 1    1   26    2 o   71.374   3.9521  604.857   66.349  637.600   94.258  572.700   93.411   73.100   5.5009   69.221   5.7673 3.879799 7.970009 
1 1 1    1   26    3 o   45.320   2.3338  243.363   24.891  320.100   36.016  173.200   34.439   51.948   2.9482   38.056   3.8869 13.89147 4.878528 
1 1 1    1   26    4 o   38.544   2.5786  176.384   23.334  162.100   33.277  190.200   32.727   36.803   3.8880   39.943   3.5053 -3.139931 5.234836 
1 1 1    1   26    5 o  158.384   8.6615  3008.44  322.714  2527.80  456.596  3488.20  456.178  143.466   13.642  169.626   11.456 -26.16013 17.81416 
1 1 1    1   26    6 o  213.424   11.730  5522.72  588.906  5205.60  833.854  5838.30  831.827  203.966   17.482  216.817   16.368 -12.85152 23.94830 
1 1 1    1   26    7 o  204.417   9.5245  5014.17  459.747  6384.70  653.102  3667.90  647.297  229.244   12.108  171.615   16.163 57.62848 20.19539 
1 1 1    1   26    8 o  130.248   7.0256  2026.75  215.281  1916.40  304.252  2137.40  304.655  125.780   10.335  133.053   9.7648 -7.273277 14.21855 
1 1 1    1   26    9 o  162.069   8.7230  3153.91  332.602  2953.60  470.087  3354.70  470.655  155.272   12.939  165.909   12.097 -10.63651 17.71292 
1 1 1    1   26   10 o  251.657   13.743  7772.00  813.584  7995.80  1151.34  7548.80  1149.82  250.434   19.626  242.733   20.245 7.701660 28.19676 
1 1 1    1   26   11 o   86.904   3.7709  894.308   77.383  581.400  108.059  1223.70  110.868   69.545   6.6616  101.581   4.6220 -32.03645 8.108022 
1 1 1    1   26   12 o  146.428   7.3768  2567.85  254.249  3189.00  360.451  1952.80  358.680  162.517   9.4332  126.042   12.204 36.47511 15.42472 
1 1 1    1   26   13 o  136.728   7.2247  2240.08  232.431  2518.70  329.281  1963.40  328.135  144.168   9.7294  126.713   11.078 17.45496 14.74384 
1 1 1    1   26   14 o   44.751   2.7891  237.833   29.327  249.800   41.418  225.800   41.532   45.749   3.8703   43.449   4.0964 2.299641 5.635531 
1 1 1    1   26   15 o   37.450   2.4625  166.586   21.655  162.500   30.574  170.700   30.676   36.865   3.5564   37.802   3.4755 -0.9369965 4.972615 
1 1 1    1   26   16 o   24.722   1.9106   72.676   11.068   58.200   15.459   87.900   15.852   21.960   3.0646   27.144   2.5013 -5.184532 3.955844 
1 1 1    1   26   17 o  194.685   10.666  4664.30  488.455  5025.50  691.161  4303.90  690.399  198.397   14.861  182.248   16.212 16.14928 21.99262 
1 1 1    1   26   18 o   40.806   2.6112  197.924   25.029  204.500   35.467  191.400   35.326   41.349   3.6706   39.975   3.7876 1.374046 5.274390 
1 1 1    1   26   19 o   59.690   3.4157  424.208   47.944  510.000   67.900  338.900   67.708   65.292   4.4302   52.948   5.4954 12.34397 7.058749 
1 1 1    1   26   20 o   42.064   2.6575  210.484   26.261  228.200   37.155  192.800   37.122   43.669   3.6362   40.057   3.9772 3.612125 5.388893 
1 1 1    1   26   21 o   30.826   2.1930  113.066   15.859  118.100   22.505  108.100   22.352   31.394   3.0753   30.002   3.2045 1.391464 4.441428 
1 1 1    1   26   22 o   58.651   3.4369  410.616   47.392  387.700   67.046  433.500   67.000   56.621   5.0682   59.974   4.7704 -3.352585 6.960099 
1 1 1    1   26   23 o  104.945   5.7908  1335.70  142.948  1260.70  201.762  1411.30  202.558  100.369   8.5959  106.552   8.1115 -6.183426 11.81885 
1 1 1    1   26   24 o   71.274   4.0830  609.940   68.432  558.300   96.815  661.500   96.740   67.469   6.1441   73.707   5.6001 -6.237671 8.313324 
1 1 1    1   26   25 o   6.0954   1.7599   4.4900   2.6744  10.0000   4.0422   0.2000   3.5667   9.0147   1.9552   4.5754   1.9296 4.439348 2.747036 
1 1 1    1   26   26 o   52.654   3.0379  331.332   37.611  370.300   53.552  293.400   52.835   55.402   4.1229   49.144   4.6067 6.258080 6.182209 
1 1 1    1   26   27 o   10.570   1.9243   13.653   4.6262   19.700   6.3915   7.0000   6.7046   12.704   2.2110   8.1311   2.8387 4.572490 3.598105 
1 1 1    1   26   28 o   73.865   4.2298  659.367   73.470  671.100  104.048  647.700  103.759   73.658   6.0350   72.300   6.1354 1.358070 8.606064 
1 1 1    1   26   29 o  120.385   6.6985  1812.97  189.665  2039.00  268.690  1588.50  267.767  124.675   9.1914  108.219   10.615 16.45574 14.04134 
1 1 1    1   26   30 o   20.351   1.8731   49.552   8.9006   59.700   12.649   39.600   12.526   22.262   2.4466   17.954   3.0646 4.308016 3.921419 
1 1 1    1   26   31 o   59.492   3.5164  427.802   49.179  416.900   69.242  438.900   69.862   57.989   5.1088   59.561   5.0140 -1.571266 7.158157 
1 1 1    1   26   32 f   63.675   3.7670  493.397   56.388  503.800   79.758  483.000   79.733   63.384   5.3796   61.969   5.5062 1.415493 7.697925 
1 1 1    1   26   33 o   73.688   4.3089  670.101   74.651  671.400  105.526  668.800  105.619   72.067   6.2632   71.907   6.2834 0.1600876 8.871799 
1 1 1    1   26   34 o   18.502   1.8648   41.182   8.0361   43.400   11.167   38.800   11.573   18.846   2.5769   17.731   2.8614 1.114878 3.850711 
1 1 1    1   26   35 o   34.129   2.4228  140.523   19.399  149.200   27.097  131.400   27.784   34.850   3.3335   32.548   3.6797 2.301949 4.965109 
1 1 1    1   26   36 o   15.892   1.7184   30.439   6.3457   28.400   8.9504   32.500   8.9982   15.148   2.5956   16.274   2.4147 -1.126332 3.545100 
1 1 1    1   26   37 o   13.015   1.8117   20.594   5.4170   17.700   7.9526   23.100   7.3989   11.851   2.8719   13.672   2.3782 -1.820563 3.728733 
1 1 1    1   26   38 o   14.023   1.7506   23.819   5.6705   26.600   7.9234   20.900   8.1188   14.691   2.3642   12.901   2.7491 1.790131 3.625898 
1 1 1    1   26   39 o   46.886   2.9196  268.831   32.164  261.200   45.431  276.500   45.544   45.321   4.2964   46.733   4.1709 -1.411842 5.987992 
1 1 1    1   26   40 o   50.206   3.0982  310.880   36.551  323.700   51.730  298.100   51.652   50.161   4.4122   47.938   4.6201 2.222794 6.388475 
1 1 1    1   26   41 o   43.201   2.7273  229.216   27.680  257.900   39.203  200.700   39.088   45.110   3.7132   39.329   4.2779 5.781578 5.664700 
1 1 1    1   26   42 o   8.8961   1.7566   9.8225   3.5592   14.700   5.1024   5.2000   4.9673   10.861   2.0650   6.9213   2.4414 3.939640 3.197616 
1 1 1    1   26   43 o   9.3100   1.7565   10.762   3.7200   14.000   5.2926   7.6000   5.2297   10.543   2.1972   7.8976   2.5011 2.645431 3.329120 
1 1 1    1   26   44 o   12.914   1.7207   20.433   5.1165   16.600   7.2199   24.300   7.2518   11.347   2.7282   13.929   2.2840 -2.581781 3.558041 
1 1 1    1   26   45 o   13.617   1.7127   22.699   5.3854   22.600   7.5604   22.800   7.6730   13.340   2.4917   13.391   2.5191 -0.5072975E-01 3.543201 
1 1 1    1   26   46 o   11.224   1.6750   15.530   4.3033   22.900   6.1589   8.5000   6.0153   13.578   1.9790   8.3011   2.6881 5.277199 3.338037 
1 1 1    1   26   47 o   11.034   1.8880   15.255   4.7425   16.300   6.4198   14.000   7.0362   11.213   2.4895   10.313   2.8119 0.9000072 3.755540 
1 1 1    1   26   48 o   6.3434   1.9379   5.0264   3.1702   4.8000   4.2855   5.3000   4.7114   6.4560   2.2686   6.7569   2.3784 -0.3009381 3.286815 
1 1 1    1   26   49 o   20.624   1.8725   53.477   9.0198   36.600   12.438   72.200   13.100   15.952   3.4055   23.559   2.3878 -7.607696 4.159231 
1 1 1    1   26   50 o   7.2711   2.1786   6.9771   4.0352   5.6000   6.0211   8.1000   5.4369   7.0052   2.6521   7.7992   2.5573 -0.7939801 3.684194 
1 1 1    1   26   51 o   4.5186   1.9938  -0.5000   4.1605  -0.5000   4.1605   0.0000   0.0000   4.5186   1.9938  ?   ?  0.000000 1.993822 
1 1 1    1   26   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   27    0 o  128.514   10.073  2003.00  301.361  2003.00  301.361  2003.00  301.361  128.514   10.073  128.514   10.073 -0.000000 0.000000 
1 1 1    1   27    1 o   92.459   4.9855  1016.75  108.445  1130.70  153.497  903.200  153.232   97.239   6.7263   86.699   7.5603 10.53960 10.11936 
1 1 1    1   27    2 o  168.207   9.0232  3398.93  357.093  3460.50  506.104  3337.90  503.913  168.270   12.834  165.163   13.026 3.107422 18.28638 
1 1 1    1   27    3 o  134.235   7.3156  2154.34  231.014  1721.50  326.773  2586.80  326.632  118.714   11.814  146.533   9.4908 -27.81901 15.15388 
1 1 1    1   27    4 o  162.509   7.2316  3147.94  277.506  3993.30  394.996  2324.00  389.958  182.276   9.2068  137.977   12.091 44.29861 15.19704 
1 1 1    1   27    5 o  195.742   9.3834  4597.83  433.716  5383.00  616.640  3829.10  610.147  210.163   12.481  175.983   14.821 34.18054 19.37613 
1 1 1    1   27    6 o  112.800   6.0195  1516.84  159.757  1589.30  226.809  1445.50  225.064  114.954   8.4140  109.512   8.7770 5.442123 12.15858 
1 1 1    1   27    7 o  137.324   6.1512  2243.20  199.465  2843.80  284.083  1659.20  280.131  154.070   7.8343  116.913   10.250 37.15686 12.90142 
1 1 1    1   27    8 o  139.670   7.5217  2336.65  247.160  2165.30  349.333  2508.40  349.743  133.272   11.204  143.821   10.368 -10.54959 15.26529 
1 1 1    1   27    9 o   91.580   4.9970  998.451  107.655  1058.30  152.695  939.300  151.802   93.944   6.9322   88.390   7.3393 5.553696 10.09561 
1 1 1    1   27   10 o  218.464   11.799  5826.82  606.407  5458.70  856.568  6196.70  858.614  207.260   17.671  221.887   16.505 -14.62656 24.18005 
1 1 1    1   27   11 o  156.925   8.5120  2966.13  314.237  2851.70  444.270  3080.70  444.526  152.149   12.475  158.431   11.970 -6.281769 17.28950 
1 1 1    1   27   12 o  118.172   6.4314  1671.15  178.791  1781.60  252.969  1560.90  252.729  121.302   8.8935  113.285   9.5363 8.017220 13.03979 
1 1 1    1   27   13 o  109.282   5.9569  1428.14  153.141  1370.80  216.360  1485.70  216.788  106.299   8.6957  110.804   8.3468 -4.505348 12.05340 
1 1 1    1   27   14 o  105.184   5.7051  1323.18  141.172  1420.60  199.922  1226.30  199.374  108.388   7.8647  100.466   8.4834 7.922363 11.56812 
1 1 1    1   27   15 o   79.202   4.3196  747.528   80.483  648.600  113.495  847.600  114.149   73.285   6.6302   84.058   5.7861 -10.77308 8.799944 
1 1 1    1   27   16 o  190.515   10.481  4474.84  469.697  4290.80  663.779  4659.40  664.726  181.970   15.598  190.389   14.905 -8.418915 21.57440 
1 1 1    1   27   17 o  189.675   10.344  4452.43  461.564  4939.50  653.405  3967.30  652.099  195.891   14.222  173.481   16.102 22.41057 21.48381 
1 1 1    1   27   18 o   30.394   2.2098  109.897   15.751  110.900   22.312  108.900   22.239   30.415   3.1525   30.133   3.1731 0.2813377 4.472842 
1 1 1    1   27   19 o   31.977   2.1465  121.570   16.114  144.800   22.904   98.800   22.675   34.835   2.8082   28.638   3.4208 6.196836 4.425830 
1 1 1    1   27   20 o   13.359   1.9008   21.537   5.8268   20.500   8.3982   22.500   8.0910   12.896   2.8351   13.548   2.6239 -0.6520901 3.862926 
1 1 1    1   27   21 o  114.067   6.3234  1581.48  169.656  1609.90  239.998  1553.10  239.861  113.430   9.0351  111.279   9.2110 2.151817 12.90256 
1 1 1    1   27   22 o   48.790   2.9685  283.932   34.038  295.100   48.395  273.000   47.882   49.503   4.1791   47.570   4.3094 1.932804 6.003014 
1 1 1    1   27   23 o   77.571   4.1872  722.870   76.414  604.500  107.646  843.100  108.489   70.017   6.5883   83.266   5.5495 -13.24854 8.614036 
1 1 1    1   27   24 o   48.271   2.9669  278.306   33.654  277.600   47.781  279.000   47.410   47.918   4.2674   48.052   4.2210 -0.1338387 6.002324 
1 1 1    1   27   25 o   80.886   4.5768  790.632   87.060  804.200  123.204  777.100  123.038   80.638   6.5262   79.197   6.6404 1.441147 9.310582 
1 1 1    1   27   26 o   31.386   2.2254  117.490   16.387  121.000   23.380  114.100   22.974   31.694   3.1664   30.759   3.2102 0.9345150 4.509055 
1 1 1    1   27   27 f   61.887   3.6066  460.368   52.478  447.100   73.989  473.800   74.442   60.396   5.2399   62.240   5.1102 -1.844048 7.319254 
1 1 1    1   27   28 o   39.596   2.5806  187.443   23.997  180.800   34.049  194.000   33.826   38.610   3.7832   40.051   3.6156 -1.441242 5.233048 
1 1 1    1   27   29 o   35.070   2.3684  147.000   19.499  141.600   27.575  152.400   27.575   34.180   3.4644   35.506   3.3278 -1.325993 4.803822 
1 1 1    1   27   30 o   37.703   2.4921  170.253   22.062  176.600   31.446  164.100   30.960   38.135   3.5321   36.725   3.6170 1.410549 5.055589 
1 1 1    1   27   31 o   50.907   3.0991  312.646   37.077  303.300   52.424  322.000   52.446   49.545   4.5311   51.130   4.3864 -1.585140 6.306427 
1 1 1    1   27   32 o   36.055   2.4404  156.191   20.655  156.900   29.391  155.500   29.032   35.807   3.5217   35.655   3.4931 0.1516838 4.960224 
1 1 1    1   27   33 o   43.051   2.7414  223.838   27.723  214.900   39.072  232.900   39.343   41.649   4.0229   43.443   3.8759 -1.793938 5.586291 
1 1 1    1   27   34 o   54.177   3.2639  358.102   41.560  406.200   58.991  310.700   58.562   56.966   4.4200   49.318   5.1023 7.647678 6.750559 
1 1 1    1   27   35 o   57.890   3.5466  412.408   48.247  393.000   68.513  431.500   67.954   55.134   5.3290   58.081   5.0036 -2.947315 7.309819 
1 1 1    1   27   36 o   31.103   2.1601  116.495   15.767  104.900   22.017  128.700   22.589   29.144   3.2548   32.421   2.9840 -3.277168 4.415687 
1 1 1    1   27   37 o   26.790   2.0406   86.444   12.812   83.300   18.103   89.600   18.136   26.000   3.0038   27.019   2.8872 -1.018173 4.166407 
1 1 1    1   27   38 o   32.163   2.2533  125.000   17.005  125.200   24.056  124.800   24.042   31.804   3.2488   31.751   3.2525 0.5281830E-01 4.597102 
1 1 1    1   27   39 f   28.694   2.1224   99.510   14.278   97.800   20.252  101.200   20.134   28.081   3.1062   28.604   3.0269 -0.5227699 4.337083 
1 1 1    1   27   40 o   4.3744   1.6119   1.8110   2.1936  -0.6000   3.0484   4.4000   3.1590   3.9537   1.7267   6.1052   1.9450 -2.151513 2.600843 
1 1 1    1   27   41 o   12.635   1.7337   19.491   5.0365   21.300   7.0444   17.600   7.2036   13.050   2.3734   11.770   2.6550 1.279960 3.561163 
1 1 1    1   27   42 o   12.004   1.7610   17.681   4.8430   12.200   6.9010   23.000   6.7981   9.8016   2.8262   13.601   2.1910 -3.799779 3.576017 
1 1 1    1   27   43 o   40.994   2.6545  208.736   25.558  244.300   36.202  173.400   36.086   43.534   3.5526   35.910   4.3440 7.624413 5.611710 
1 1 1    1   27   44 o   35.432   2.4364  155.234   20.261  167.200   28.673  143.300   28.634   36.021   3.4116   33.062   3.7331 2.959549 5.057166 
1 1 1    1   27   45 o   17.100   1.7802   35.744   7.0830   38.100   10.030   33.400   10.004   17.379   2.5173   16.169   2.7166 1.210264 3.703576 
1 1 1    1   27   46 o   19.787   1.8450   48.031   8.5212   51.000   12.091   45.100   12.011   20.031   2.6189   18.725   2.8026 1.305317 3.835800 
1 1 1    1   27   47 o   24.853   2.0422   76.829   11.879   82.100   16.832   71.600   16.766   25.080   2.8955   23.218   3.1385 1.861774 4.270137 
1 1 1    1   27   48 f   15.876   1.7918   31.518   6.5996   28.200   9.0426   35.300   9.6539   14.489   2.7435   16.352   2.5862 -1.863387 3.770275 
1 1 1    1   27   49 o   10.604   2.0548   14.701   4.9594   9.6000   7.1230   19.500   6.9091   8.4685   2.9276   11.991   2.5201 -3.522799 3.862852 
1 1 1    1   27   50 o   6.8579   2.4176   5.9000   4.8702   5.9000   4.8702   0.0000   0.0000   6.8579   2.4176  ?   ?  0.000000 2.417637 
1 1 1    1   27   51 o   11.995   2.7980   20.600   7.7801   20.600   7.7801   0.0000   0.0000   11.995   2.7980  ?   ?  0.000000 2.798018 
1 1 1    1   27   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   28    0 o  106.105   8.3932  1363.30  207.266  1363.30  207.266  1363.30  207.266  106.105   8.3932  106.105   8.3932 0.000000 0.000000 
1 1 1    1   28    1 o   46.103   2.8099  252.289   30.444  259.900   43.086  244.700   43.022   46.678   3.9459   45.268   4.0682 1.410717 5.667502 
1 1 1    1   28    2 o  108.083   5.7361  1392.44  145.876  1263.30  206.010  1522.30  206.590  102.317   8.6066  112.582   7.8195 -10.26455 11.62833 
1 1 1    1   28    3 o  109.945   5.4400  1435.97  141.233  1663.50  200.707  1212.80  198.775  117.841   7.2479  100.263   8.4751 17.57787 11.15170 
1 1 1    1   28    4 o  107.665   6.0220  1383.31  152.487  1213.50  215.942  1552.20  215.357  100.079   9.2420  113.603   8.0807 -13.52408 12.27645 
1 1 1    1   28    5 o   51.280   2.5019  310.897   30.296  421.300   43.554  207.400   42.169   59.593   3.1058   41.602   4.3572 17.99025 5.350845 
1 1 1    1   28    6 o  123.031   5.4072  1798.75  157.089  2307.00  224.385  1310.20  219.995  139.065   6.8330  104.030   9.0456 35.03510 11.33635 
1 1 1    1   28    7 o   45.267   2.6890  243.191   28.614  266.200   40.745  220.800   40.195   47.267   3.6795   42.981   4.0065 4.286716 5.439711 
1 1 1    1   28    8 o  106.606   5.8399  1356.83  146.451  1351.30  207.665  1362.30  206.566  105.773   8.3830  106.228   8.3008 -0.4551163 11.79739 
1 1 1    1   28    9 o  145.660   7.0752  2537.07  243.357  3178.50  345.375  1904.60  342.955  162.148   9.0564  124.307   11.826 37.84147 14.89555 
1 1 1    1   28   10 o   28.756   1.9236   98.169   12.987   62.800   18.007  136.500   18.746   22.770   3.4577   33.895   2.3569 -11.12419 4.184595 
1 1 1    1   28   11 o  173.571   9.4863  3660.85  387.334  3664.60  547.413  3657.10  548.133  171.096   13.663  170.896   13.698 0.2005310 19.34727 
1 1 1    1   28   12 o   93.503   5.1436  1044.00  113.130  946.900  159.870  1141.40  160.110   88.397   7.7368   97.323   7.0140 -8.925270 10.44287 
1 1 1    1   28   13 o   60.986   3.1967  441.864   45.876  324.700   64.383  562.700   65.384   51.924   5.3264   68.725   4.0469 -16.80030 6.689365 
1 1 1    1   28   14 o  222.574   12.460  6207.89  652.215  6455.20  922.577  5960.80  922.166  220.413   17.880  210.638   18.736 9.774826 25.89808 
1 1 1    1   28   15 o   52.524   3.1439  328.234   38.815  278.500   54.774  378.400   55.011   48.086   4.8920   56.256   4.1709 -8.170101 6.428692 
1 1 1    1   28   16 o  130.133   6.7300  2046.76  206.100  1735.10  290.525  2362.50  292.424  117.805   10.556  138.612   8.9824 -20.80779 13.86027 
1 1 1    1   28   17 o  121.467   6.4450  1784.06  184.200  1398.60  260.065  2172.10  260.934  105.388   10.594  133.027   8.3490 -27.63898 13.48833 
1 1 1    1   28   18 o   96.593   5.3097  1122.62  120.644  1067.20  170.346  1178.40  170.887   93.160   7.8158   98.105   7.4317 -4.945587 10.78507 
1 1 1    1   28   19 o   70.719   3.9761  598.195   66.129  634.300   93.855  562.600   93.190   72.402   5.5315   68.062   5.8553 4.339401 8.054982 
1 1 1    1   28   20 o   61.210   3.5437  447.700   51.002  405.800   72.042  489.800   72.213   57.822   5.3365   63.715   4.8357 -5.893162 7.201555 
1 1 1    1   28   21 o   57.966   3.2587  401.238   44.424  470.900   63.082  332.700   62.571   62.563   4.2960   52.313   5.1313 10.24999 6.692242 
1 1 1    1   28   22 o   76.617   4.3447  706.310   78.282  799.500  110.730  613.200  110.683   80.938   5.8327   70.440   6.7364 10.49803 8.910622 
1 1 1    1   28   23 o   31.864   2.2288  120.998   16.664  124.100   23.575  117.900   23.558   32.126   3.1481   31.289   3.2352 0.8368092 4.514102 
1 1 1    1   28   24 o   67.290   3.8843  544.272   61.458  554.300   87.255  534.400   86.577   67.302   5.5396   66.048   5.6040 1.253479 7.879837 
1 1 1    1   28   25 o   68.160   3.8947  559.078   62.425  526.500   88.186  591.800   88.379   65.405   5.7690   69.528   5.4260 -4.122978 7.919774 
1 1 1    1   28   26 o   90.937   5.1729  1009.03  110.621  972.100  156.621  1045.80  156.263   87.602   7.6480   91.134   7.3231 -3.532516 10.58868 
1 1 1    1   28   27 o   48.346   2.9548  280.025   33.570  275.700   47.338  284.400   47.615   47.602   4.2562   48.368   4.2109 -0.7651787 5.987253 
1 1 1    1   28   28 o   34.747   2.3623  144.308   19.268  121.300   27.194  167.500   27.303   31.544   3.7226   37.286   3.1300 -5.741575 4.863559 
1 1 1    1   28   29 o   33.812   2.3276  136.801   18.470  138.100   26.107  135.500   26.135   33.744   3.3193   33.412   3.3580 0.3324242 4.721694 
1 1 1    1   28   30 o   9.4533   2.0770   11.048   4.5097   16.500   6.4393   5.8000   6.3177   11.544   2.4386   7.6054   2.7455 3.938772 3.672148 
1 1 1    1   28   31 o   45.568   2.8561  250.466   30.576  248.400   43.408  252.500   43.077   44.861   4.1445   45.265   4.0738 -0.4040451 5.811428 
1 1 1    1   28   32 o   31.196   2.1771  116.800   15.937  135.900   22.720   98.300   22.360   33.459   2.9044   28.258   3.4206 5.200974 4.487304 
1 1 1    1   28   33 o   23.224   1.9073   64.738   10.367   79.900   14.871   50.400   14.461   25.683   2.4830   20.170   3.1384 5.513058 4.001839 
1 1 1    1   28   34 o   46.303   2.8245  260.145   30.735  237.700   43.224  283.100   43.712   43.514   4.2612   47.735   3.9123 -4.220245 5.784828 
1 1 1    1   28   35 o   37.554   2.5163  170.606   22.185  163.700   31.389  177.500   31.359   36.276   3.7168   37.869   3.5482 -1.593990 5.138536 
1 1 1    1   28   36 o   35.187   2.4760  149.928   20.442  157.800   28.510  141.600   29.326   35.707   3.4232   33.653   3.7542 2.054005 5.080624 
1 1 1    1   28   37 o  ?   ?   -4.0827   0.5579   4.0000   1.7474  -5.0000   0.5887   5.6896   1.3253  ?   ?  0.000000 1.325268 
1 1 1    1   28   38 f   44.159   2.7854  238.128   28.897  226.400   40.827  249.900   40.905   42.219   4.1488   44.528   3.9306 -2.309326 5.715104 
1 1 1    1   28   39 o   33.057   2.3888  132.995   18.522  139.000   25.791  126.600   26.616   33.348   3.3193   31.645   3.6274 1.702677 4.916865 
1 1 1    1   28   40 o   14.802   1.7213   26.600   5.9039   29.100   8.3494   24.100   8.3494   15.310   2.3874   13.827   2.6538 1.483060 3.569620 
1 1 1    1   28   41 o   26.259   2.0411   83.847   12.557   78.400   17.754   89.300   17.762   24.933   3.0809   26.745   2.8567 -1.811274 4.201525 
1 1 1    1   28   42 o   10.644   1.7983   14.011   4.3588   17.800   6.0782  10.0000   6.2542   11.905   2.2445   8.9386   2.7200 2.965944 3.526506 
1 1 1    1   28   43 o   10.558   1.7575   13.784   4.2276   17.100   6.0407   10.600   5.9187   11.639   2.2794   9.1337   2.6125 2.505795 3.467095 
1 1 1    1   28   44 o   23.168   1.9451   65.615   10.543   59.300   14.927   71.900   14.893   21.511   3.0221   23.906   2.6846 -2.394520 4.042294 
1 1 1    1   28   45 o   10.625   1.8263   14.056   4.4167   13.100   5.8736   15.300   6.6999   10.083   2.4833   10.864   2.6380 -0.7814112 3.622907 
1 1 1    1   28   46 o   12.450   1.7408   19.203   4.9779   15.100   6.6592   24.400   7.4942   10.726   2.6457   13.810   2.3843 -3.084463 3.561531 
1 1 1    1   28   47 o   17.904   1.8683   40.005   7.7823   47.500   11.196   33.000   10.825   19.111   2.5442   15.570   3.0533 3.541252 3.974341 
1 1 1    1   28   48 o   19.013   1.9525   45.863   8.6416   40.100   12.346   51.400   12.100   16.818   3.2261   19.565   2.6903 -2.746611 4.200616 
1 1 1    1   28   49 o   3.2699   1.4787  -1.1416   2.4424  -9.0000   3.1150   11.400   3.9352   2.4358   1.2237   9.3766   1.8430 -6.940846 2.212234 
1 1 1    1   28   50 o   3.8463   1.7358  -1.3000   3.3458  -1.3000   3.3458   0.0000   0.0000   3.8463   1.7358  ?   ?  0.000000 1.735804 
1 1 1    1   28   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   29    0 o   36.108   3.5191  158.500   29.351  158.500   29.351  158.500   29.351   36.108   3.5191   36.108   3.5191 0.000000 0.000000 
1 1 1    1   29    1 o  248.454   13.668  7635.75  798.782  7816.30  1129.81  7455.30  1129.49  245.563   19.649  239.219   20.184 6.344284 28.16822 
1 1 1    1   29    2 o  150.361   8.0242  2718.45  283.875  2948.20  401.724  2489.30  401.196  155.386   11.020  142.254   12.057 13.13239 16.33425 
1 1 1    1   29    3 o  290.184   14.902 10510.06  1017.66 12026.30  1443.65  9012.40  1434.78  303.669   20.249  258.155   23.805 45.51343 31.25168 
1 1 1    1   29    4 o  172.541   9.4434  3604.13  383.295  3506.10  542.840  3701.60  541.285  167.832   13.820  172.752   13.373 -4.919769 19.23123 
1 1 1    1   29    5 o  103.169   5.7990  1271.58  140.702  1116.00  199.290  1426.20  198.678   95.852   8.9068  108.787   7.7856 -12.93553 11.82985 
1 1 1    1   29    6 o  129.074   6.5165  1994.44  197.975  2281.90  281.193  1711.90  278.779  137.362   8.7143  118.413   10.066 18.94875 13.31364 
1 1 1    1   29    7 o  200.747   11.265  4942.81  531.842  4399.80  752.839  5483.80  751.440  184.604   17.478  208.179   15.395 -23.57532 23.29176 
1 1 1    1   29    8 o  121.765   6.7102  1779.32  192.193  1648.90  272.027  1909.30  271.576  116.049   10.025  125.257   9.2472 -9.207047 13.63873 
1 1 1    1   29    9 o  130.196   6.9801  2037.84  213.815  2173.90  302.777  1902.50  301.984  133.405   9.6773  124.447   10.371 8.957878 14.18463 
1 1 1    1   29   10 o   51.152   2.9260  310.827   35.196  403.700   49.958  219.300   49.595   58.231   3.6517   42.630   5.0231 15.60050 6.210200 
1 1 1    1   29   11 o   77.082   4.3238  708.422   78.383  739.500  111.081  677.600  110.622   78.401   6.0467   74.966   6.3077 3.435318 8.737818 
1 1 1    1   29   12 o  141.378   7.1505  2413.03  237.938  2906.60  337.832  1927.20  335.174  154.035   9.3319  124.086   11.572 29.94935 14.86630 
1 1 1    1   29   13 o  116.979   6.4554  1649.10  177.626  1607.70  251.507  1690.30  250.896  114.208   9.4096  117.264   9.1329 -3.055397 13.11297 
1 1 1    1   29   14 o   97.844   5.4327  1149.35  125.027  1156.60  176.852  1142.10  176.777   97.327   7.7596   96.692   7.8090 0.6355057 11.00871 
1 1 1    1   29   15 o   75.574   3.9888  681.678   70.931  566.200   99.833  799.400  100.798   68.298   6.2598   81.545   5.2628 -13.24649 8.178189 
1 1 1    1   29   16 o   75.330   4.2790  679.005   75.801  596.000  107.235  761.900  107.164   69.918   6.5722   79.397   5.7549 -9.479355 8.735704 
1 1 1    1   29   17 o   86.955   4.8203  908.128   98.589  813.300  139.263  1003.40  139.589   81.369   7.3265   90.779   6.5559 -9.410072 9.831470 
1 1 1    1   29   18 o   57.446   3.3408  393.840   45.122  326.900   63.761  461.000   63.865   51.884   5.2777   61.937   4.3952 -10.05264 6.868197 
1 1 1    1   29   19 o   53.985   3.1803  347.853   40.363  401.600   57.160  294.400   57.004   57.794   4.2174   49.250   4.9695 8.544308 6.517875 
1 1 1    1   29   20 o   51.960   3.1213  322.423   38.120  315.300   53.810  329.600   54.010   51.067   4.5086   52.244   4.4195 -1.177177 6.313435 
1 1 1    1   29   21 o   16.523   1.7424   32.676   6.6957   25.300   9.3326   40.500   9.6120   14.339   2.8566   18.343   2.2674 -4.003542 3.647107 
1 1 1    1   29   22 o  102.695   5.6788  1285.99  137.176  1208.30  193.609  1364.30  194.385   97.660   8.4796  104.223   7.9586 -6.562408 11.62940 
1 1 1    1   29   23 o   31.437   2.2347  117.850   16.481  123.300   23.308  112.400   23.308   32.013   3.1231   30.520   3.2859 1.493008 4.533319 
1 1 1    1   29   24 o   23.689   1.9595   66.979   10.863   64.200   15.305   69.800   15.419   23.043   2.8754   24.062   2.7640 -1.018934 3.988476 
1 1 1    1   29   25 o   70.814   3.9438  604.439   65.686  538.300   92.472  671.800   93.322   65.927   6.0058   74.034   5.3748 -8.106407 8.059661 
1 1 1    1   29   26 o   65.355   3.8046  515.272   58.461  488.200   82.710  542.300   82.643   62.818   5.6358   66.393   5.3159 -3.575130 7.747355 
1 1 1    1   29   27 o   28.559   2.1380   97.450   14.313   97.600   20.225   97.300   20.260   28.406   3.0636   28.360   3.0746 0.4661179E-01 4.340406 
1 1 1    1   29   28 o   6.8890   2.1067   5.6533   3.7453   4.8000   5.4823   6.4000   5.1287   7.0155   2.5537   7.5094   2.4848 -0.4938951 3.563107 
1 1 1    1   29   29 o   35.036   2.3683  147.121   19.479  141.200   27.480  153.100   27.615   34.031   3.4681   35.490   3.3342 -1.459187 4.810871 
1 1 1    1   29   30 o   15.532   1.8679   29.103   6.7132   31.100   9.3739   27.000   9.6188   15.919   2.5821   14.749   2.8650 1.170018 3.856896 
1 1 1    1   29   31 o   51.842   3.1158  325.974   37.966  344.000   53.958  308.300   53.428   52.592   4.3848   49.639   4.6108 2.952900 6.362885 
1 1 1    1   29   32 o   30.474   2.1918  111.627   15.666  110.100   21.991  113.200   22.324   29.982   3.1533   30.405   3.1554 -0.4224567 4.460927 
1 1 1    1   29   33 o   16.437   1.8783   32.638   7.1594   28.200   10.003   37.300   10.252   15.023   2.9249   17.428   2.5680 -2.405611 3.892224 
1 1 1    1   29   34 o   47.500   2.9040  274.417   32.417  300.200   46.055  249.100   45.636   49.056   4.0109   44.412   4.4099 4.643520 5.961068 
1 1 1    1   29   35 o   39.207   2.4948  185.980   22.977  216.700   32.892  156.700   32.112   41.942   3.3491   35.354   3.9121 6.588043 5.149811 
1 1 1    1   29   36 o   38.861   2.5041  182.952   22.856  150.700   32.152  215.900   32.497   34.565   4.0140   41.841   3.3163 -7.276371 5.206768 
1 1 1    1   29   37 o   54.895   3.3232  371.999   42.874  391.300   61.203  353.400   60.080   55.086   4.7515   52.164   4.9362 2.922615 6.851512 
1 1 1    1   29   38 o   12.659   1.6684   19.469   4.8656   15.000   6.8207   24.100   6.9429   10.891   2.6722   13.988   2.1724 -3.096555 3.443832 
1 1 1    1   29   39 o   44.483   2.8489  243.968   29.768  261.400   42.077  226.500   42.120   45.158   3.9868   41.718   4.3391 3.440033 5.892582 
1 1 1    1   29   40 o   38.067   2.5299  177.843   22.612  189.200   31.987  166.500   31.968   38.576   3.5514   35.972   3.8220 2.604229 5.217319 
1 1 1    1   29   41 o   6.9465   1.7947   6.0296   2.9650   9.3000   4.2063   2.8000   4.1800   8.5903   2.0929   5.7367   2.2006 2.853611 3.036927 
1 1 1    1   29   42 o   39.709   2.6394  195.805   24.608  198.500   34.768  193.100   34.834   38.956   3.8290   38.350   3.9008 0.6065063 5.466052 
1 1 1    1   29   43 o   29.085   2.1463  103.714   14.637  112.800   20.741   94.700   20.658   29.841   2.9834   27.123   3.2929 2.717558 4.443437 
1 1 1    1   29   44 o   11.399   2.0267   16.277   5.2553   15.600   7.3123   17.000   7.5581   10.946   2.8136   11.424   2.8191 -0.4773073 3.982880 
1 1 1    1   29   45 o   23.977   1.9615   70.812   11.008   78.100   15.609   63.600   15.527   24.735   2.7171   22.080   3.0604 2.655451 4.092513 
1 1 1    1   29   46 o   14.302   1.8181   25.486   6.0016   24.400   8.2622   26.700   8.7323   13.602   2.6676   14.228   2.6978 -0.6259985 3.793972 
1 1 1    1   29   47 o   18.697   1.9770   44.216   8.5961   37.900   12.221   50.400   12.093   16.401   3.2703   19.443   2.7076 -3.041864 4.245654 
1 1 1    1   29   48 o   10.964   2.0619   15.715   5.1425   20.400   6.9371  10.0000   7.6619   12.291   2.4758   8.6223   3.0332 3.668757 3.915292 
1 1 1    1   29   49 o   6.5461   2.0226   5.5729   3.4423  10.0000   5.5469   2.8000   4.3899   8.5041   2.5557   5.6109   2.2250 2.893247 3.388553 
1 1 1    1   29   50 o   8.1979   2.5943   9.3000   5.6275   9.3000   5.6275   0.0000   0.0000   8.1979   2.5943  ?   ?  0.000000 2.594309 
1 1 1    1   30    0 o   69.514   5.7107  584.700   92.284  584.700   92.284  584.700   92.284   69.514   5.7107   69.514   5.7107 0.000000 0.000000 
1 1 1    1   30    1 f   47.184   2.8253  264.432   31.334  289.800   44.373  239.200   44.254   49.286   3.8430   44.692   4.2443 4.594620 5.725676 
1 1 1    1   30    2 o   40.513   2.5766  194.954   24.521  191.800   34.701  198.100   34.654   40.052   3.7113   40.719   3.6426 -0.6669922 5.200217 
1 1 1    1   30    3 o   96.528   5.2673  1112.76  119.606  1208.60  169.228  1017.10  169.069  100.128   7.2056   91.617   7.8920 8.511238 10.68660 
1 1 1    1   30    4 o   63.485   3.7054  479.533   55.307  376.900   78.267  581.900   78.165   55.866   6.0284   69.793   4.7715 -13.92665 7.688195 
1 1 1    1   30    5 o   83.506   3.5770  826.748   70.534  1103.40  101.111  564.500   98.443   96.363   4.4435   68.459   6.1555 27.90403 7.591749 
1 1 1    1   30    6 o  118.636   6.1414  1687.11  171.457  1878.80  243.561  1498.80  241.408  124.443   8.3367  110.708   9.3211 13.73437 12.50538 
1 1 1    1   30    7 o  114.726   5.3458  1569.63  144.824  1951.70  205.938  1195.80  203.705  127.341   6.8741   98.939   8.8113 28.40235 11.17557 
1 1 1    1   30    8 o   54.207   3.2134  349.475   40.949  270.600   57.921  428.300   57.902   47.347   5.2700   59.902   4.1185 -12.55496 6.688406 
1 1 1    1   30    9 o   30.681   2.1771  111.907   15.670  117.200   22.476  106.900   21.859   31.298   3.0810   29.868   3.1467 1.430002 4.403900 
1 1 1    1   30   10 o  103.555   5.7316  1287.34  139.610  1225.90  197.588  1348.60  197.288  100.087   8.4390  105.189   8.0028 -5.101967 11.63015 
1 1 1    1   30   11 o   98.669   3.8834  1157.31   90.480  642.200  126.091  1704.10  129.910   72.485   7.4740  119.566   4.6012 -47.08138 8.776750 
1 1 1    1   30   12 o   67.944   3.9078  550.872   62.432  516.400   88.385  585.200   88.200   65.361   5.7864   69.709   5.4003 -4.348305 7.914922 
1 1 1    1   30   13 o   80.164   4.3115  768.282   81.316  632.000  114.595  906.500  115.407   71.992   6.8224   86.721   5.6668 -14.72862 8.868930 
1 1 1    1   30   14 o  181.821   10.230  4146.57  437.453  4001.50  618.587  4291.70  618.716  172.463   15.350  179.496   14.727 -7.032715 21.27227 
1 1 1    1   30   15 o   88.345   4.6627  936.225   96.926  1101.00  137.633  774.100  136.522   95.288   6.1496   79.360   7.3693 15.92838 9.598097 
1 1 1    1   30   16 o  106.179   5.5816  1362.00  139.455  1142.30  196.553  1584.70  197.891   95.600   8.8059  113.590   7.4185 -17.98991 11.51424 
1 1 1    1   30   17 o   86.514   4.7780  900.861   97.231  840.400  137.123  962.000  137.891   82.606   7.0986   88.642   6.6359 -6.035332 9.717265 
1 1 1    1   30   18 o   70.688   4.0634  599.559   67.541  564.800   95.529  634.300   95.505   67.956   6.0153   72.188   5.6478 -4.231674 8.251101 
1 1 1    1   30   19 o   69.972   3.8725  587.030   63.737  677.400   90.451  497.900   89.828   74.755   5.1555   63.716   6.0427 11.03901 7.943130 
1 1 1    1   30   20 f   42.266   2.6281  213.022   26.100  229.900   37.053  196.400   36.771   43.728   3.6210   40.330   3.9102 3.397362 5.329304 
1 1 1    1   30   21 o  139.573   7.9181  2443.95  259.890  2459.90  367.522  2428.00  367.559  135.602   11.589  134.592   11.681 1.009384 16.45437 
1 1 1    1   30   22 o   84.327   4.7517  861.401   94.233  880.000  133.444  842.900  133.089   84.156   6.7724   82.266   6.9152 1.890030 9.679152 
1 1 1    1   30   23 o   49.544   3.0214  293.732   35.179  298.400   49.849  289.100   49.653   49.604   4.2983   48.802   4.3544 0.8012772 6.118471 
1 1 1    1   30   24 o   66.618   3.8605  534.896   60.468  543.600   85.536  526.200   85.494   66.472   5.4988   65.347   5.5944 1.124924 7.844336 
1 1 1    1   30   25 o   38.608   2.5577  178.237   23.186  164.600   32.895  191.700   32.685   36.799   3.8423   39.830   3.5111 -3.031223 5.204915 
1 1 1    1   30   26 o   69.922   4.0837  593.075   67.134  638.900   94.812  547.000   95.071   71.730   5.6431   66.025   6.1693 5.704811 8.360957 
1 1 1    1   30   27 o   76.129   4.2973  707.413   76.937  788.600  109.101  627.100  108.512   79.297   5.8682   70.103   6.6340 9.193657 8.856975 
1 1 1    1   30   28 o   36.599   2.4348  160.633   20.922  142.100   29.496  179.400   29.682   34.054   3.7291   38.447   3.3014 -4.393440 4.980520 
1 1 1    1   30   29 o   34.280   2.3706  141.113   19.071  153.700   27.011  128.600   26.931   35.527   3.2559   32.365   3.5840 3.161938 4.842053 
1 1 1    1   30   30 o   19.263   1.8851   44.599   8.4646   48.000   12.158   41.400   11.791   19.824   2.6648   18.351   2.8106 1.473213 3.873080 
1 1 1    1   30   31 o   46.244   2.8906  259.128   31.407  276.700   44.444  241.600   44.388   47.239   4.0226   43.953   4.3331 3.285522 5.912433 
1 1 1    1   30   32 o   10.363   1.8029   13.160   4.2513   10.100   5.8440   16.600   6.1959   9.0518   2.5981   11.562   2.3495 -2.510392 3.502842 
1 1 1    1   30   33 o   11.255   2.0014   15.580   5.1243   18.300   7.2743   12.900   7.2197   12.097   2.6222   10.183   2.8760 1.914321 3.891917 
1 1 1    1   30   34 o   10.887   1.8595   14.537   4.6088   7.7000   6.6384   20.900   6.4037   8.2784   2.8278   13.041   2.1548 -4.762534 3.555165 
1 1 1    1   30   35 o   10.766   2.0039   14.306   4.9070   7.1000   6.9671   21.400   6.9124   8.1520   2.8897   13.159   2.3087 -5.007267 3.698746 
1 1 1    1   30   36 o   31.042   2.2376  116.460   16.291  124.700   23.169  108.400   22.913   31.787   3.1271   29.525   3.3455 2.262257 4.579377 
1 1 1    1   30   37 o   13.142   1.8071   21.046   5.4595   19.500   7.2285   23.100   8.3300   12.467   2.5415   13.556   2.6971 -1.088950 3.705907 
1 1 1    1   30   38 f   9.5471   1.7865   11.268   3.8794   10.500   5.5517   12.000   5.4232   9.1442   2.4996   9.7598   2.3756 -0.6156340 3.448392 
1 1 1    1   30   39 o   19.933   1.8910   48.213   8.7943   55.900   12.348   40.300   12.528   21.272   2.5064   17.805   3.0920 3.466881 3.980229 
1 1 1    1   30   40 o   29.492   2.0658  105.861   14.296  121.700   20.583   91.100   19.870   31.242   2.8205   26.791   3.2044 4.450901 4.268890 
1 1 1    1   30   41 o   29.997   2.1508  110.034   15.133  122.200   21.505   98.100   21.299   31.155   2.9587   27.664   3.3273 3.491360 4.452521 
1 1 1    1   30   42 o   16.335   1.7851   32.562   6.7735   30.600   9.6081   34.500   9.5504   15.506   2.7234   16.566   2.5209 -1.059951 3.711041 
1 1 1    1   30   43 o   17.294   1.7886   36.547   7.1987   36.400   10.085   36.700   10.278   16.952   2.6027   17.005   2.6457 -0.5290413E-01 3.711324 
1 1 1    1   30   44 o   17.371   1.7876   37.010   7.2277   29.400   10.195   44.700   10.248   14.968   2.9891   18.866   2.3515 -3.897873 3.803177 
1 1 1    1   30   45 o   26.175   2.1488   85.643   13.164   88.500   18.329   82.600   18.919   25.907   3.0548   24.801   3.3133 1.106388 4.506623 
1 1 1    1   30   46 o   26.712   2.0839   89.995   13.040   81.600   17.985   99.300   18.936   24.425   3.1949   27.175   3.0009 -2.750681 4.383237 
1 1 1    1   30   47 o   14.816   1.8788   27.906   6.4256   28.700   9.3633   27.200   8.8342   14.404   2.8537   14.082   2.7553 0.3219156 3.966822 
1 1 1    1   30   48 o   7.5499   2.1967   7.6000   4.1523   10.900   5.8723   4.3000   5.8723   8.8664   2.6217   6.5575   2.5819 2.308922 3.679596 
1 1 1    1   30   49 o   14.151   1.9463   25.933   6.3314   29.400   8.9759   22.500   8.9321   14.516   2.7185   12.385   3.0697 2.131242 4.100450 
1 1 1    1   30   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   31    0 o  154.158   12.228  2934.90  438.698  2934.90  438.698  2934.90  438.698  154.158   12.228  154.158   12.228 -0.000000 0.000000 
1 1 1    1   31    1 o   30.845   2.1817  113.092   15.788  102.700   22.319  123.500   22.336   29.251   3.2881   32.152   2.9756 -2.900955 4.434657 
1 1 1    1   31    2 o   75.466   4.2346  679.093   75.157  692.700  106.315  665.500  106.260   75.855   5.9840   74.311   6.1097 1.543686 8.551993 
1 1 1    1   31    3 o  125.102   6.6585  1884.55  195.992  2109.30  277.457  1660.70  276.894  131.339   9.0005  115.883   10.224 15.45534 13.62104 
1 1 1    1   31    4 o  127.734   6.6190  1964.89  198.963  2280.10  281.830  1651.70  280.924  136.632   8.7817  115.404   10.421 21.22845 13.62791 
1 1 1    1   31    5 o   86.247   4.8036  889.211   97.443  887.300  138.205  891.100  137.408   85.601   6.8957   85.803   6.8387 -0.2011871 9.711742 
1 1 1    1   31    6 o   60.991   3.4668  442.836   49.723  482.200   70.467  403.800   70.172   63.434   4.7385   57.929   5.1847 5.505192 7.023890 
1 1 1    1   31    7 o  132.613   7.1608  2129.42  223.405  2217.30  316.715  2042.40  315.175  133.707   10.106  128.044   10.517 5.662735 14.58525 
1 1 1    1   31    8 o   97.101   5.4450  1131.99  124.345  1082.80  176.275  1180.70  175.428   94.058   8.0130   98.412   7.6081 -4.353996 11.04948 
1 1 1    1   31    9 o   92.486   4.8255  1024.15  105.020  1158.60  149.282  892.400  147.770   97.849   6.4978   85.507   7.3912 12.34285 9.841287 
1 1 1    1   31   10 o   59.237   3.4687  418.291   48.309  412.700   68.572  423.800   68.070   58.536   5.0091   59.348   4.9010 -0.8120537 7.007941 
1 1 1    1   31   11 o   60.846   3.3454  441.126   47.882  483.800   68.265  399.800   67.179   63.485   4.5846   57.588   4.9895 5.896664 6.775922 
1 1 1    1   31   12 o   34.461   2.3398  141.309   18.928  150.400   26.828  132.300   26.708   35.436   3.2420   33.182   3.4595 2.254360 4.741175 
1 1 1    1   31   13 o   44.799   2.7995  239.026   29.467  241.100   41.419  236.900   41.930   44.802   3.9557   44.390   4.0446 0.4118500 5.657379 
1 1 1    1   31   14 o   85.512   4.7915  879.265   96.363  947.700  136.313  810.900  136.242   88.087   6.6014   81.196   7.1798 6.890343 9.753365 
1 1 1    1   31   15 o   46.913   2.7174  262.096   29.974  314.800   42.786  211.300   42.004   51.282   3.5552   41.809   4.3167 9.472340 5.592299 
1 1 1    1   31   16 o  118.255   6.2960  1706.64  175.178  1432.60  247.130  1983.40  248.351  105.716   10.019  125.946   8.3988 -20.22977 13.07393 
1 1 1    1   31   17 o   19.024   1.6540   43.150   7.3563   29.900   10.026   58.600   10.827   15.627   2.8207   22.141   2.0958 -6.513206 3.514102 
1 1 1    1   31   18 o  119.586   6.4450  1753.91  181.326  2001.00  257.135  1509.50  255.739  125.862   8.7052  107.991   10.148 17.87065 13.37005 
1 1 1    1   31   19 o   38.514   2.4761  176.843   22.400  187.600   31.763  166.200   31.593   39.501   3.4396   37.118   3.6518 2.382565 5.016627 
1 1 1    1   31   20 o   95.890   5.2585  1117.99  118.615  991.900  167.277  1245.50  168.221   88.575   8.0869  100.009   7.1709 -11.43433 10.80826 
1 1 1    1   31   21 o   2.7628   1.2572  -1.1501   1.7998  -7.9000   2.4268   7.1000   2.6830   2.0868   1.0524   7.6082   1.5461 -5.521398 1.870318 
1 1 1    1   31   22 o   45.513   2.8685  247.755   30.670  269.500   43.271  225.800   43.479   47.221   3.9159   43.081   4.3328 4.140553 5.840127 
1 1 1    1   31   23 o   62.839   3.6771  475.470   54.324  444.100   76.851  506.800   76.801   60.013   5.4836   64.319   5.0985 -4.305664 7.487632 
1 1 1    1   31   24 o   77.581   4.4302  731.237   80.823  756.400  114.444  706.200  114.158   77.824   6.2811   75.033   6.5075 2.790642 9.044296 
1 1 1    1   31   25 o   62.464   3.6677  471.585   53.862  502.000   76.129  441.100   76.216   63.782   5.0972   59.564   5.4802 4.217457 7.484284 
1 1 1    1   31   26 o   56.411   3.3425  384.201   44.326  409.000   62.811  359.600   62.561   57.624   4.6558   53.852   4.9760 3.772167 6.814465 
1 1 1    1   31   27 o   22.544   1.9874   60.929   10.472   54.000   14.896   67.700   14.725   20.977   3.1006   23.634   2.6862 -2.656916 4.102332 
1 1 1    1   31   28 o   14.016   1.7724   23.720   5.7347   19.300   7.9562   28.500   8.2733   12.440   2.7787   15.267   2.3719 -2.827028 3.653340 
1 1 1    1   31   29 o   47.083   2.8509  267.871   31.547  241.300   44.303  295.200   44.932   44.029   4.3168   48.947   3.9203 -4.918392 5.831230 
1 1 1    1   31   30 o   40.740   2.5558  200.173   24.463  234.200   34.791  166.900   34.403   43.739   3.3950   36.600   4.0485 7.139534 5.283618 
1 1 1    1   31   31 o   18.204   1.9251   39.975   8.1495   42.400   11.155   37.200   11.935   18.595   2.6125   17.285   3.0348 1.310434 4.004418 
1 1 1    1   31   32 o   34.594   2.4366  144.543   19.778  129.300   28.151  159.400   27.792   32.207   3.7730   36.009   3.3055 -3.801598 5.016100 
1 1 1    1   31   33 o   73.314   4.3865  676.153   75.591  670.900  106.929  681.400  106.875   70.530   6.4933   71.168   6.4290 -0.6381836 9.137539 
1 1 1    1   31   34 o   35.571   2.4247  153.050   20.245  149.900   28.630  156.200   28.630   34.739   3.5396   35.507   3.4586 -0.7676506 4.948795 
1 1 1    1   31   35 o   14.536   1.8366   25.640   6.1632   14.200   8.5034   38.300   8.9456   10.675   3.1543   17.730   2.1828 -7.055122 3.835927 
1 1 1    1   31   36 o   28.953   2.1666  101.454   14.705  103.400   21.054   99.600   20.549   28.852   3.1410   28.318   3.1250 0.5335560 4.430724 
1 1 1    1   31   37 o   13.893   1.8563   23.549   5.9376   21.800   8.2801   25.400   8.5191   13.126   2.7590   14.230   2.6323 -1.103516 3.813281 
1 1 1    1   31   38 o   15.329   1.8962   28.666   6.7170   33.800   9.1985   22.800   9.8316   16.506   2.4329   13.300   3.1745 3.206388 3.999564 
1 1 1    1   31   39 o   2.7927   1.2227  -0.3533   1.5371   0.9000   2.2237  -1.5000   2.1270   3.9288   1.5751   2.9460   1.3505 0.9827814 2.074794 
1 1 1    1   31   40 o   12.128   1.8028   18.093   5.0056   13.700   7.1571   22.300   7.0034   10.332   2.8438   13.341   2.3065 -3.008961 3.661554 
1 1 1    1   31   41 o   17.532   1.8117   37.472   7.3923   30.300   10.508   44.500   10.402   15.325   3.0110   18.920   2.3811 -3.594543 3.838697 
1 1 1    1   31   42 o   4.6939   1.6381   2.3803   2.2326   0.6000   3.0283   4.5000   3.3044   4.3241   1.7976   6.1569   1.9922 -1.832761 2.683308 
1 1 1    1   31   43 o   12.356   1.8943   18.970   5.3508   15.100   7.8676   22.300   7.2988   10.727   2.9927   13.232   2.4254 -2.504963 3.852120 
1 1 1    1   31   44 o   26.465   2.1197   87.118   13.136  100.100   18.528   74.000   18.625   27.821   2.8611   23.420   3.4731 4.401306 4.499815 
1 1 1    1   31   45 o   10.754   2.0026   14.800   4.8982   16.700   6.4986   12.300   7.4532   11.223   2.5146   9.5552   2.9801 1.667581 3.899260 
1 1 1    1   31   46 o   19.475   1.9077   47.910   8.6605   52.300   12.234   43.500   12.261   19.751   2.6935   17.711   3.0412 2.039610 4.062477 
1 1 1    1   31   47 o   17.530   2.0097   39.528   8.1685   35.700   11.757   43.100   11.357   15.636   3.2885   17.660   2.8182 -2.024194 4.330865 
1 1 1    1   31   48 o   11.132   2.9648   18.000   7.9330   0.0000   0.0000   18.000   7.9330  ?   ?    11.132   2.9648 0.000000 2.964848 
1 1 1    1   31   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   32    0 o   56.040   4.7913  380.800   62.337  380.800   62.337  380.800   62.337   56.040   4.7913   56.040   4.7913 -0.000000 0.000000 
1 1 1    1   32    1 o  163.073   8.9847  3268.43  344.645  3131.70  487.371  3405.20  487.432  155.975   13.362  163.281   12.743 -7.306381 18.46379 
1 1 1    1   32    2 o   90.460   4.9958  980.551  106.302  950.100  150.214  1011.10  150.455   88.322   7.2669   91.214   7.0397 -2.892281 10.11761 
1 1 1    1   32    3 o  126.279   6.9192  1931.77  205.538  1866.20  290.614  1997.40  290.736  122.346   10.151  126.832   9.7831 -4.486496 14.09786 
1 1 1    1   32    4 o   37.411   2.3977  166.391   21.070  189.700   29.867  143.300   29.727   39.856   3.2005   34.527   3.7040 5.328979 4.895170 
1 1 1    1   32    5 o   76.285   4.2986  695.668   77.117  714.200  109.007  677.100  109.114   76.837   6.0570   74.748   6.2388 2.088913 8.695396 
1 1 1    1   32    6 o   77.193   4.3174  712.586   78.382  595.500  110.819  829.800  110.880   69.867   6.8034   82.944   5.6957 -13.07629 8.872796 
1 1 1    1   32    7 o  104.661   5.3418  1316.77  131.579  1514.30  187.130  1123.60  185.051  111.493   7.1454   95.453   8.2923 16.03965 10.94620 
1 1 1    1   32    8 o   14.057   1.6541   23.688   5.3856   29.600   7.8774   18.500   7.3798   15.662   2.1899   12.261   2.6279 3.400519 3.420777 
1 1 1    1   32    9 f   48.102   2.9248  275.571   33.064  279.400   46.942  271.800   46.580   48.226   4.1629   47.555   4.1909 0.6708870 5.907092 
1 1 1    1   32   10 o  173.456   7.3861  3672.45  302.527  4860.70  431.913  2528.00  423.876  197.723   9.2508  138.715   13.095 59.00774 16.03335 
1 1 1    1   32   11 o   94.038   5.3133  1066.66  117.503  992.900  166.416  1140.00  165.934   89.552   7.9525   96.314   7.3515 -6.762817 10.82985 
1 1 1    1   32   12 o   41.471   2.5492  204.743   24.843  227.600   35.335  182.400   34.936   43.590   3.4613   38.919   3.8520 4.670403 5.178656 
1 1 1    1   32   13 o   43.588   2.7422  226.460   28.081  210.800   39.725  242.100   39.700   41.804   4.0762   44.889   3.7805 -3.085060 5.559444 
1 1 1    1   32   14 o   38.739   2.4355  178.707   22.166  200.500   31.677  157.800   31.026   40.903   3.3080   36.185   3.6824 4.718033 4.950048 
1 1 1    1   32   15 o   48.891   2.8520  285.048   32.783  329.100   46.742  242.400   45.991   52.352   3.8071   44.749   4.4097 7.602699 5.825717 
1 1 1    1   32   16 o   80.748   4.4389  785.127   84.314  891.000  119.478  680.100  118.999   85.384   5.9632   74.124   6.8770 11.26053 9.102394 
1 1 1    1   32   17 o   50.853   3.0449  308.983   36.395  334.200   51.591  284.000   51.351   52.626   4.1862   48.389   4.5474 4.236408 6.180897 
1 1 1    1   32   18 o  108.500   5.6903  1436.49  145.280  1215.80  204.490  1661.40  206.438   97.465   8.9863  115.249   7.6288 -17.78423 11.78779 
1 1 1    1   32   19 o  119.520   6.1592  1755.85  173.240  2174.80  245.916  1343.10  244.090  131.343   7.9666  100.888   10.395 30.45510 13.09646 
1 1 1    1   32   20 o   35.386   2.3657  149.383   19.654  137.400   27.605  161.700   27.987   33.715   3.5193   36.658   3.2674 -2.943115 4.802286 
1 1 1    1   32   21 o   72.142   4.1473  628.760   70.353  554.900   99.501  702.600   99.487   66.719   6.3939   75.576   5.6148 -8.857834 8.509284 
1 1 1    1   32   22 o   64.999   3.7390  509.214   57.147  474.600   80.661  544.100   80.976   61.977   5.5710   66.579   5.1916 -4.602203 7.615087 
1 1 1    1   32   23 f   49.728   3.0456  296.814   35.591  300.700   50.241  292.900   50.427   49.647   4.3288   48.965   4.4085 0.6817856 6.178498 
1 1 1    1   32   24 o   47.535   4.2277  276.300   46.960  276.300   46.960   0.0000   0.0000   47.535   4.2277  ?   ?  0.000000 4.227733 
1 1 1    1   32   25 o   20.353   1.9840   49.711   9.4141   47.900   13.353   51.500   13.274   19.782   2.9487   20.558   2.8079 -0.7762794 4.071695 
1 1 1    1   32   26 f   35.934   3.5340  157.700   29.600   0.0000   0.0000  157.700   29.600  ?   ?    35.934   3.5340 0.000000 3.534045 
1 1 1    1   32   27 o   30.736   2.2119  113.346   15.947  113.700   22.664  113.000   22.441   30.525   3.1914   30.437   3.1688 0.8835983E-01 4.497367 
1 1 1    1   32   28 o   36.396   2.3735  159.226   20.287  136.000   28.465  183.200   28.920   33.200   3.6935   38.786   3.1858 -5.585995 4.877640 
1 1 1    1   32   29 o   27.199   2.1296   88.947   13.569   81.600   19.318   96.100   19.063   25.735   3.2515   28.064   2.9192 -2.329338 4.369657 
1 1 1    1   32   30 o   22.316   2.0230   59.973   10.544   73.300   14.791   46.200   15.036   24.548   2.5907   19.187   3.4454 5.361139 4.310730 
1 1 1    1   32   31 o   25.751   2.0326   79.750   12.259   90.100   17.337   69.400   17.337   27.189   2.7377   23.692   3.1792 3.496555 4.195461 
1 1 1    1   32   32 o   22.551   2.0085   61.282   10.584   71.400   15.095   51.500   14.843   24.174   2.6900   20.334   3.1967 3.840370 4.177962 
1 1 1    1   32   33 o   21.999   1.9307   58.285   9.9281   54.400   14.106   62.100   13.976   20.979   2.9271   22.515   2.6816 -1.535395 3.969754 
1 1 1    1   32   34 o   18.279   1.9124   40.390   8.1320   43.400   11.338   37.200   11.670   18.769   2.6304   17.253   2.9717 1.516228 3.968648 
1 1 1    1   32   35 o   34.427   2.4869  144.215   20.081  123.400   28.657  164.300   28.149   31.113   3.9926   36.353   3.3157 -5.239721 5.189800 
1 1 1    1   32   36 o   17.886   1.9399   38.857   8.0618   30.800   11.442   46.800   11.361   15.522   3.2270   19.474   2.5304 -3.951971 4.100736 
1 1 1    1   32   37 o   8.7905   1.9222   9.6449   3.8789   14.500   5.4337   4.6000   5.5389   10.762   2.2122   6.8888   2.5568 3.872835 3.380985 
1 1 1    1   32   38 o   17.853   1.9278   38.865   7.9978   47.500   11.088   29.500   11.547   19.579   2.4520   15.061   3.3348 4.518031 4.139241 
1 1 1    1   32   39 o   53.394   3.3502  361.896   42.027  372.200   59.446  351.600   59.423   52.177   4.8815   50.464   5.0546 1.713200 7.026969 
1 1 1    1   32   40 o   8.1770   1.9136   8.4004   3.6294   7.2000   4.5914   10.400   5.9258   7.6411   2.3317   9.0670   2.6202 -1.425944 3.507459 
1 1 1    1   32   41 o   21.138   1.8720   54.496   9.2471   59.500   13.082   49.500   13.072   21.787   2.5938   19.709   2.8951 2.078369 3.887119 
1 1 1    1   32   42 o   13.129   1.8112   21.258   5.4655   16.500   7.7776   25.900   7.6822   11.229   2.9095   14.326   2.3526 -3.097006 3.741645 
1 1 1    1   32   43 o   11.862   1.6645   17.380   4.5342   23.000   6.6150   12.400   6.2273   13.503   2.1464   9.7409   2.6410 3.762364 3.403190 
1 1 1    1   32   44 o   6.6753   2.1386   5.5237   3.8152   13.800   4.8792  -7.5000   6.1206   10.367   2.0656   4.3812   2.0950 5.986139 2.942002 
1 1 1    1   32   45 o   2.5383   1.2131  -2.6908   2.0470  -9.0000   2.4131   13.500   3.8656  ?   ?    10.362   1.6340 0.000000 1.634005 
1 1 1    1   32   46 o   16.844   1.9664   36.272   7.6743   27.200   10.695   45.900   11.018   13.599   3.3521   18.483   2.5961 -4.884625 4.239828 
1 1 1    1   32   47 o   12.242   2.8484   21.300   8.0792   0.0000   0.0000   21.300   8.0792  ?   ?    12.242   2.8484 0.000000 2.848401 
1 1 1    1   32   48 o   7.7056   2.5867   8.0000   5.5538   0.0000   0.0000   8.0000   5.5538  ?   ?    7.7056   2.5867 0.000000 2.586674 
1 1 1    1   33    0 o  158.213   12.785  3147.60  470.487  3147.60  470.487  3147.60  470.487  158.213   12.785  158.213   12.785 0.000000 0.000000 
1 1 1    1   33    1 o   64.634   3.7169  498.757   56.489  546.200   79.882  451.300   79.893   67.339   5.0606   61.032   5.6062 6.306892 7.552442 
1 1 1    1   33    2 o   37.234   2.4173  164.929   21.139  126.600   29.867  203.400   29.922   32.358   3.9935   41.278   3.0923 -8.919365 5.050781 
1 1 1    1   33    3 o   97.357   5.3676  1141.23  122.921  1084.10  173.727  1198.50  173.946   93.820   7.9156   98.877   7.5060 -5.057098 10.90852 
1 1 1    1   33    4 o   99.154   5.4055  1184.30  126.085  1310.80  178.450  1058.20  178.172  103.478   7.3509   92.496   8.2439 10.98283 11.04526 
1 1 1    1   33    5 o   65.557   3.7765  513.486   58.213  532.700   82.249  494.200   82.403   66.406   5.2891   63.882   5.5168 2.523571 7.642613 
1 1 1    1   33    6 o   72.747   3.9048  632.591   66.832  515.100   94.331  751.000   94.699   64.989   6.2230   78.952   5.1068 -13.96371 8.050173 
1 1 1    1   33    7 f   67.435   3.7398  543.422   59.318  454.600   83.734  632.900   84.043   61.104   5.8757   72.480   4.9399 -11.37602 7.676336 
1 1 1    1   33    8 o   87.276   4.8037  916.038   98.619  954.900  139.945  877.700  138.997   88.338   6.7601   84.554   7.0252 3.784340 9.749529 
1 1 1    1   33    9 o   59.476   3.5544  422.874   49.692  388.400   70.506  456.900   70.046   56.547   5.3436   61.510   4.8622 -4.962822 7.224585 
1 1 1    1   33   10 f   67.884   3.8508  551.801   61.473  389.700   86.897  714.200   86.976   56.169   6.6828   76.972   4.8094 -20.80362 8.233421 
1 1 1    1   33   11 o  165.236   9.4780  3455.88  368.267  3045.00  521.019  3866.10  520.596  147.657   15.158  169.769   13.087 -22.11189 20.02597 
1 1 1    1   33   12 o   17.486   1.8014   36.577   7.3320   36.100   10.698   37.000   10.069   17.229   2.7197   17.483   2.5110 -0.2539253 3.701632 
1 1 1    1   33   13 o   62.141   3.4306  461.753   50.145  515.600   71.385  409.300   70.456   65.339   4.6572   58.012   5.1983 7.326527 6.979403 
1 1 1    1   33   14 o   77.441   4.3838  722.079   79.836  658.300  112.798  786.100  113.012   73.028   6.6128   80.139   6.0158 -7.111259 8.939739 
1 1 1    1   33   15 o   20.531   1.9184   50.367   9.1930   48.100   12.909   52.700   13.095   19.918   2.8237   20.885   2.7198 -0.9662647 3.920513 
1 1 1    1   33   16 o   57.036   3.3637  389.538   45.103  416.000   63.861  363.200   63.710   58.583   4.6547   54.606   4.9962 3.977230 6.828516 
1 1 1    1   33   17 o   89.821   4.7608  976.771  100.616  794.400  141.572  1162.90  143.023   79.427   7.6426   97.167   6.2668 -17.73990 9.883434 
1 1 1    1   33   18 o   81.841   4.6302  811.040   89.115  814.700  126.197  807.400  125.858   80.964   6.6598   80.590   6.6737 0.3740463 9.428227 
1 1 1    1   33   19 o   58.494   3.4198  410.682   47.030  378.000   66.391  443.600   66.631   55.546   5.1193   60.369   4.7115 -4.822689 6.957400 
1 1 1    1   33   20 o   90.210   5.0169  993.110  106.447  923.100  150.124  1063.90  150.958   85.251   7.5350   91.992   7.0019 -6.740974 10.28604 
1 1 1    1   33   21 o   25.395   1.9675   76.985   11.706   87.900   16.684   66.400   16.429   27.034   2.6475   23.382   3.0481 3.652704 4.037370 
1 1 1    1   33   22 o   36.927   2.5064  163.246   21.726  150.200   30.901  176.000   30.554   35.101   3.7882   38.128   3.4304 -3.027256 5.110550 
1 1 1    1   33   23 o   57.828   3.4596  404.071   47.025  388.000   66.547  420.100   66.461   55.924   5.0952   58.326   4.8701 -2.402008 7.048302 
1 1 1    1   33   24 o   61.231   5.2765  468.600   75.547  468.600   75.547   0.0000   0.0000   61.231   5.2765  ?   ?  0.000000 5.276472 
1 1 1    1   33   25 o   7.6559   1.9848   7.2381   3.6180   14.400   5.1965   0.5000   5.0404   10.811   2.1114   5.4760   2.3009 5.334613 3.122792 
1 1 1    1   33   26 o   41.141   3.9056  208.500   37.487   0.0000   0.0000  208.500   37.487  ?   ?    41.141   3.9056 0.000000 3.905586 
1 1 1    1   33   27 o   54.050   3.3598  355.980   42.669  299.500   60.495  411.900   60.194   48.395   5.3850   57.487   4.4694 -9.092030 6.998086 
1 1 1    1   33   28 o   15.602   1.8729   29.418   6.7620   23.300   9.7902   35.000   9.3508   13.609   3.1140   16.923   2.4079 -3.314348 3.936356 
1 1 1    1   33   29 o   20.893   1.8986   52.492   9.2647   46.500   12.888   58.900   13.328   19.414   2.9003   21.972   2.6204 -2.558617 3.908736 
1 1 1    1   33   30 o   12.646   1.8276   19.453   5.2994   19.600   7.4101   19.300   7.5817   12.538   2.5886   12.426   2.6639 0.1120634 3.714463 
1 1 1    1   33   31 o   46.100   2.8900  258.442   31.302  267.600   44.662  249.600   43.883   46.224   4.1354   44.581   4.2187 1.643703 5.907516 
1 1 1    1   33   32 o   71.256   4.2588  637.562   71.331  592.600  100.836  682.600  100.920   66.091   6.5473   71.665   6.0193 -5.574135 8.893751 
1 1 1    1   33   33 o   48.644   3.0333  289.705   34.669  294.300   49.003  285.100   49.055   48.137   4.3583   47.309   4.4432 0.8277626 6.223894 
1 1 1    1   33   34 f   4.2704   1.8248  -0.0648   3.2615  -0.3000   4.4819   0.2000   4.7550   4.9353   2.1247   5.2184   2.2159 -0.2830687 3.069913 
1 1 1    1   33   35 o   17.637   1.9737   37.823   8.0787   28.500   11.743   46.200   11.132   14.868   3.4164   19.361   2.4928 -4.492131 4.229150 
1 1 1    1   33   36 o   13.345   1.8931   21.808   5.7985   30.600   8.0860   12.500   8.3196   15.756   2.2360   10.045   3.1512 5.711466 3.863878 
1 1 1    1   33   37 o   21.835   1.9379   57.932   9.8881   64.500   14.114   51.600   13.857   22.771   2.6759   20.205   2.9950 2.565720 4.016311 
1 1 1    1   33   38 o   7.6171   2.2543   7.1909   4.3402   4.8000   6.4229   9.2000   5.8879   7.2039   2.7363   8.6101   2.6428 -1.406157 3.804158 
1 1 1    1   33   39 o   36.295   2.4924  162.528   21.232  172.200   30.060  152.900   29.993   36.603   3.5213   34.278   3.7676 2.324989 5.156915 
1 1 1    1   33   40 o   29.549   2.1890  107.143   15.165  109.600   21.478  104.700   21.415   29.310   3.1529   28.591   3.2285 0.7191334 4.512583 
1 1 1    1   33   41 o   12.297   1.7785   18.648   5.0142   14.100   7.1702   23.000   7.0145   10.421   2.8373   13.519   2.2784 -3.097193 3.638901 
1 1 1    1   33   42 o   23.341   1.9674   67.150   10.743   75.500   15.192   58.800   15.192   24.332   2.6890   21.169   3.1340 3.163651 4.129471 
1 1 1    1   33   43 o   17.805   1.8144   39.304   7.5220   38.900   10.693   39.700   10.584   17.228   2.7186   17.447   2.6525 -0.2193832 3.798188 
1 1 1    1   33   44 o   32.411   2.4631  136.269   18.710  144.000   26.262  128.300   26.663   31.854   3.5519   29.548   3.9180 2.306202 5.288335 
1 1 1    1   33   45 o   5.0860   2.0564   1.8000   3.8258   0.0000   0.0000   1.8000   3.8258  ?   ?    5.0860   2.0564 0.000000 2.056447 
1 1 1    1   33   46 o   11.510   2.9466   19.000   8.0427   0.0000   0.0000   19.000   8.0427  ?   ?    11.510   2.9466 0.000000 2.946568 
1 1 1    1   33   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   34    0 o   62.132   5.2327  469.600   75.519  469.600   75.519  469.600   75.519   62.132   5.2327   62.132   5.2327 0.000000 0.000000 
1 1 1    1   34    1 o   54.277   3.1124  351.295   39.724  298.200   56.044  404.900   56.312   49.628   4.8441   58.075   4.1333 -8.447094 6.367875 
1 1 1    1   34    2 o   83.002   4.6170  828.007   90.134  782.800  127.338  873.400  127.599   79.871   6.8169   84.563   6.4385 -4.692223 9.376799 
1 1 1    1   34    3 o   25.895   1.9863   79.855   12.053   76.200   16.942   83.600   17.150   25.165   2.9045   26.391   2.7945 -1.225988 4.030526 
1 1 1    1   34    4 o   63.270   3.5038  478.263   52.144  548.900   73.921  408.300   73.567   67.500   4.6663   57.950   5.4398 9.549934 7.166986 
1 1 1    1   34    5 o   90.203   5.0329  981.453  106.773  901.400  151.003  1061.50  150.998   85.298   7.5758   92.958   6.9287 -7.660400 10.26644 
1 1 1    1   34    6 o   27.625   2.0740   90.900   13.431   86.900   18.994   94.900   18.994   26.867   3.0478   28.115   2.9027 -1.248064 4.208864 
1 1 1    1   34    7 o   64.333   3.7009  495.343   55.984  445.300   79.168  545.400   79.179   60.450   5.6101   67.143   5.0306 -6.692394 7.535241 
1 1 1    1   34    8 o   72.553   3.9661  630.937   67.691  493.400   95.535  769.600   95.925   63.318   6.4809   79.770   5.1195 -16.45184 8.259044 
1 1 1    1   34    9 o   68.483   3.9277  562.365   63.251  488.200   89.459  636.500   89.441   63.108   6.0783   72.442   5.2646 -9.334454 8.041241 
1 1 1    1   34   10 o   44.653   2.7327  237.742   28.676  187.600   40.511  288.100   40.598   39.304   4.4429   49.022   3.5307 -9.718601 5.674988 
1 1 1    1   34   11 o   66.724   3.8038  533.852   59.684  484.800   84.322  583.100   84.490   62.956   5.7350   69.292   5.2017 -6.335960 7.742589 
1 1 1    1   34   12 o  135.294   7.6756  2280.74  244.208  2200.50  345.767  2360.60  344.960  128.816   11.488  134.051   10.995 -5.234756 15.90112 
1 1 1    1   34   13 o   21.986   1.9563   57.723   10.050   51.000   14.405   64.100   14.029   20.474   3.0746   23.082   2.6203 -2.608355 4.039711 
1 1 1    1   34   14 o   57.231   3.4021  392.376   45.770  326.900   64.766  457.700   64.691   51.642   5.3905   61.513   4.4846 -9.870823 7.012071 
1 1 1    1   34   15 o   52.616   2.9595  330.748   36.621  376.200   52.202  286.700   51.389   55.870   3.9829   48.582   4.5319 7.287975 6.033323 
1 1 1    1   34   16 o   63.551   3.6888  485.248   55.119  474.400   77.764  496.200   78.138   62.250   5.3421   63.715   5.2399 -1.465733 7.482928 
1 1 1    1   34   17 o   62.468   3.6079  469.009   52.994  516.600   75.056  421.700   74.834   65.090   4.9195   58.548   5.4765 6.542965 7.361608 
1 1 1    1   34   18 o   32.413   2.2783  125.418   17.327  119.200   24.540  131.600   24.468   31.389   3.3632   33.039   3.1754 -1.650248 4.625401 
1 1 1    1   34   19 o   34.361   2.3753  141.072   19.155  151.600   26.998  130.400   27.181   35.446   3.2621   32.781   3.5692 2.665894 4.835305 
1 1 1    1   34   20 o   15.053   1.7783   27.246   6.1991   19.900   8.3027   36.500   9.3188   12.663   2.8460   17.363   2.3319 -4.699615 3.679290 
1 1 1    1   34   21 o   35.017   2.3833  146.749   19.590  146.700   27.470  146.800   27.945   34.775   3.3883   34.770   3.4491 0.4699707E-02 4.834974 
1 1 1    1   34   22 o   51.156   3.0745  315.273   36.967  337.700   52.489  293.200   52.073   52.474   4.2731   48.738   4.5783 3.736835 6.262629 
1 1 1    1   34   23 o   30.435   2.0060  110.708   14.336  139.800   20.782   84.300   19.800   34.085   2.6017   26.254   3.2643 7.830952 4.174261 
1 1 1    1   34   24 o   26.383   3.0462   84.900   18.629   84.900   18.629   0.0000   0.0000   26.383   3.0462  ?   ?  0.000000 3.046217 
1 1 1    1   34   25 o   17.364   1.9214   36.335   7.7462   27.600   11.180   44.400   10.742   14.824   3.2806   19.111   2.4358 -4.286432 4.086074 
1 1 1    1   34   26 o   46.548   4.2379  269.600   46.072   0.0000   0.0000  269.600   46.072  ?   ?    46.548   4.2379 0.000000 4.237948 
1 1 1    1   34   27 o   37.208   2.4847  166.939   21.705  195.600   30.756  138.500   30.637   39.989   3.2861   33.330   3.9708 6.659134 5.154252 
1 1 1    1   34   28 o   25.963   2.0556   81.038   12.499   73.600   17.547   88.700   17.810   24.450   3.1096   26.959   2.8403 -2.509151 4.211512 
1 1 1    1   34   29 o   22.736   1.9563   62.175   10.401   66.200   14.850   58.300   14.571   23.263   2.7569   21.769   2.9073 1.494322 4.006603 
1 1 1    1   34   30 o   9.5283   2.1657   11.300   4.7623   11.300   6.9157   11.300   6.5675   9.5881   2.8474   9.5599   2.7572 0.2820683E-01 3.963578 
1 1 1    1   34   31 o   30.748   2.2494  114.064   16.219  126.100   22.877  101.900   22.998   32.058   3.0592   28.630   3.4728 3.427176 4.628125 
1 1 1    1   34   32 o   14.966   1.8788   27.188   6.4933   24.600   9.1615   29.800   9.2046   13.987   2.8701   15.500   2.6075 -1.512849 3.877646 
1 1 1    1   34   33 f   34.700   2.3091  145.872   18.813  115.900   26.255  177.500   26.970   30.279   3.7524   37.955   3.0346 -7.676167 4.825914 
1 1 1    1   34   34 o   31.705   2.1601  121.761   16.076  141.500   23.029  103.000   22.451   33.854   2.9090   28.622   3.3876 5.232809 4.465222 
1 1 1    1   34   35 o   21.328   2.0174   55.263   10.040   67.800   14.002   42.000   14.402   23.451   2.5707   18.049   3.5055 5.401543 4.347130 
1 1 1    1   34   36 o   34.865   2.3890  148.805   19.550  135.700   27.447  162.300   27.852   32.545   3.6335   35.837   3.3293 -3.292290 4.928188 
1 1 1    1   34   37 o   24.282   1.9521   71.679   11.098   86.200   16.155   58.700   15.273   26.348   2.6317   21.488   3.0997 4.859772 4.066205 
1 1 1    1   34   38 o   13.143   2.0365   21.389   6.1162   29.900   8.7898   13.400   8.5158   15.434   2.4970   10.282   3.1820 5.151868 4.044781 
1 1 1    1   34   39 o   15.469   1.7755   29.226   6.3678   30.200   8.8888   28.200   9.1268   15.480   2.5183   14.882   2.6965 0.5981979 3.689561 
1 1 1    1   34   40 o   12.595   1.9813   19.720   5.6981   23.400   7.5336   14.800   8.7107   13.588   2.4374   10.671   3.2017 2.917021 4.023920 
1 1 1    1   34   41 o   27.052   2.0981   90.434   13.298   95.100   18.838   85.800   18.774   27.145   2.9885   25.640   3.1682 1.504950 4.355296 
1 1 1    1   34   42 o   24.922   2.0515   77.450   11.966   77.700   16.922   77.200   16.922   24.241   3.0219   24.152   3.0341 0.8900070E-01 4.282247 
1 1 1    1   34   43 o   16.996   1.8886   36.282   7.4515   32.700   10.664   39.700   10.416   15.433   3.0344   17.332   2.6275 -1.898465 4.013841 
1 1 1    1   34   44 o   12.195   2.0577   19.237   5.7148   21.000   7.7210   17.100   8.4988   12.386   2.7148   10.944   3.1306 1.441725 4.143755 
1 1 1    1   34   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   34   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35    0 f   42.484   3.9087  219.700   38.449  219.700   38.449  219.700   38.449   42.484   3.9087   42.484   3.9087 0.000000 0.000000 
1 1 1    1   35    1 o  123.926   6.7539  1883.47  196.898  2113.50  278.689  1654.20  278.225  129.293   9.1880  113.153   10.534 16.14009 13.97787 
1 1 1    1   35    2 o  158.872   8.7913  3170.65  328.528  3545.60  464.950  2796.80  464.269  163.723   12.112  142.914   13.935 20.80838 18.46293 
1 1 1    1   35    3 o   92.202   5.1289  1027.81  111.226  961.000  157.244  1094.70  157.350   87.896   7.6524   94.157   7.1300 -6.260590 10.45925 
1 1 1    1   35    4 o   39.744   2.5576  188.243   23.876  195.400   33.781  181.100   33.749   40.318   3.5857   38.774   3.7322 1.544270 5.175531 
1 1 1    1   35    5 o  107.121   5.9572  1398.04  150.092  1431.50  212.292  1364.60  212.234  106.729   8.4937  104.023   8.7207 2.705711 12.17348 
1 1 1    1   35    6 o   25.991   2.0136   80.507   12.262   87.200   17.332   73.800   17.351   26.952   2.7623   24.725   3.0356 2.227144 4.104311 
1 1 1    1   35    7 f   64.804   3.5156  502.500   53.596  626.600   75.950  379.400   75.643   72.100   4.4832   55.599   5.8493 16.50083 7.369714 
1 1 1    1   35    8 o   69.251   3.9478  575.719   64.290  550.800   90.864  600.700   90.975   67.096   5.7917   70.193   5.5335 -3.097145 8.010245 
1 1 1    1   35    9 o   28.014   2.0347   93.483   13.367  103.800   19.263   83.900   18.565   29.416   2.8073   26.379   3.0358 3.036980 4.134844 
1 1 1    1   35   10 o   93.408   5.3700  1060.76  117.948  978.000  167.166  1142.80  166.443   88.060   8.1309   95.736   7.4205 -7.675903 11.00797 
1 1 1    1   35   11 o  108.208   6.1567  1436.69  156.663  1363.10  221.993  1509.70  221.119  103.023   9.2228  108.959   8.6658 -5.935486 12.65526 
1 1 1    1   35   12 o   50.172   3.0469  300.987   35.927  272.500   50.841  329.400   50.775   47.341   4.6063   52.223   4.1517 -4.881752 6.201185 
1 1 1    1   35   13 f   34.034   2.3084  138.127   18.442  123.600   26.060  152.700   26.101   31.970   3.5097   35.652   3.1322 -3.681438 4.704108 
1 1 1    1   35   14 o   37.234   2.4755  165.484   21.641  163.700   30.903  167.200   30.316   36.810   3.6014   37.230   3.4891 -0.4204636 5.014407 
1 1 1    1   35   15 o   58.450   3.3847  409.974   46.516  433.100   65.965  387.100   65.605   59.636   4.7229   56.260   4.9900 3.376049 6.870631 
1 1 1    1   35   16 o   53.790   3.2115  347.052   40.605  346.600   57.566  347.500   57.284   53.315   4.6181   53.396   4.5877 -0.8067703E-01 6.509554 
1 1 1    1   35   17 f   58.776   3.1654  414.351   43.772  482.100   62.517  349.200   61.307   63.041   4.2241   53.344   4.9225 9.696350 6.486440 
1 1 1    1   35   18 o  100.711   5.7046  1257.15  135.107  1197.50  190.912  1317.00  191.227   95.531   8.5536  100.710   8.1098 -5.179573 11.78701 
1 1 1    1   35   19 o   23.835   2.0621   68.021   11.492   79.200   16.063   56.300   16.448   25.617   2.6959   21.402   3.3658 4.215113 4.312355 
1 1 1    1   35   20 o   36.069   2.3280  155.676   19.722  129.100   27.699  183.000   28.087   32.495   3.6744   38.934   3.0802 -6.438229 4.794651 
1 1 1    1   35   21 o   21.335   1.9161   54.546   9.5502   54.800   13.610   54.300   13.405   21.213   2.7842   21.122   2.7530 0.9117126E-01 3.915417 
1 1 1    1   35   22 o   45.338   2.7551  247.461   29.356  279.000   41.709  216.500   41.325   47.781   3.7262   41.841   4.2412 5.939297 5.645536 
1 1 1    1   35   23 o   33.812   2.3567  137.315   18.698  139.700   26.362  134.900   26.526   33.819   3.3449   33.198   3.4333 0.6209831 4.793312 
1 1 1    1   35   24 o   15.253   2.7615   28.800   9.5804   28.800   9.5804   0.0000   0.0000   15.253   2.7615  ?   ?  0.000000 2.761520 
1 1 1    1   35   25 o   12.765   2.0201   19.905   5.8863   12.900   8.4863   26.400   8.1715   10.306   3.1744   14.650   2.4485 -4.343767 4.008970 
1 1 1    1   35   26 o   40.254   3.8019  200.500   35.710   0.0000   0.0000  200.500   35.710  ?   ?    40.254   3.8019 0.000000 3.801854 
1 1 1    1   35   27 o   45.836   2.9417  255.187   31.671  217.900   44.903  292.100   44.678   41.469   4.6666   48.534   3.9322 -7.064247 6.102422 
1 1 1    1   35   28 o   7.5349   2.2226   6.9123   4.2252  -6.9000   6.0112   20.400   5.9401   4.5156   2.1352   12.918   2.0129 -8.402689 2.934374 
1 1 1    1   35   29 o   6.7622   2.0621   5.4928   3.5918   9.9000   4.7152  -0.6000   5.5441   8.9151   2.2420   5.4377   2.3519 3.477361 3.249344 
1 1 1    1   35   30 o   37.767   2.5044  172.597   22.208  159.800   31.282  185.600   31.533   35.796   3.7569   38.741   3.4841 -2.945442 5.123819 
1 1 1    1   35   31 o   33.432   2.3467  135.271   18.409  121.000   25.918  149.800   26.151   31.100   3.5955   34.827   3.2161 -3.727083 4.824040 
1 1 1    1   35   32 o   19.840   1.9774   47.665   9.1409   53.400   13.148   42.300   12.717   20.785   2.7460   18.368   3.0384 2.417479 4.095409 
1 1 1    1   35   33 o   16.621   1.8981   33.563   7.3160   21.600   10.441   45.100   10.254   12.953   3.3785   19.183   2.3101 -6.230273 4.092745 
1 1 1    1   35   34 o   14.149   1.8436   24.422   6.0134   18.800   8.3108   30.600   8.7119   12.128   2.9339   15.701   2.4281 -3.573174 3.808336 
1 1 1    1   35   35 o   15.534   1.7993   29.375   6.4779   24.000   8.8758   35.500   9.4757   13.722   2.8331   16.901   2.4454 -3.178391 3.742503 
1 1 1    1   35   36 o   36.398   2.5409  163.256   21.702  170.800   30.781  155.800   30.602   36.469   3.6223   34.682   3.7988 1.786804 5.249012 
1 1 1    1   35   37 o   29.525   2.2162  106.657   15.338   90.600   21.500  123.300   21.888   26.503   3.5226   31.319   2.9962 -4.815531 4.624484 
1 1 1    1   35   38 o   16.247   1.8070   32.232   6.8150   36.900   9.8225   27.900   9.4634   17.157   2.4978   14.760   2.8179 2.396708 3.765559 
1 1 1    1   35   39 o   15.239   1.9994   28.687   7.0212   26.000   9.9050   31.400   9.9540   14.107   3.0613   15.651   2.7960 -1.543498 4.146014 
1 1 1    1   35   40 o   14.855   1.8572   27.252   6.3721   29.100   8.7851   25.200   9.2564   15.080   2.5586   13.857   2.9210 1.223043 3.883109 
1 1 1    1   35   41 o   22.189   2.0079   61.279   10.407   70.900   14.696   51.600   14.740   23.411   2.7083   19.520   3.3165 3.891045 4.281826 
1 1 1    1   35   42 o   12.954   1.7469   21.003   5.2073   30.200   7.6598   13.100   7.1005   15.358   2.1727   9.8150   2.8774 5.543283 3.605545 
1 1 1    1   35   43 o   15.960   2.8484   34.800   10.341   34.800   10.341   0.0000   0.0000   15.960   2.8484  ?   ?  0.000000 2.848350 
1 1 1    1   35   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   35   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   36    0 o  210.172   18.562  6098.70  904.690  6098.70  904.690  6098.70  904.690  210.172   18.562  210.172   18.562 0.000000 0.000000 
1 1 1    1   36    1 o   14.895   1.7448   26.623   6.0207   35.900   8.8706   18.700   8.1981   17.258   2.2287   12.296   2.8749 4.961865 3.637596 
1 1 1    1   36    2 o   72.878   4.1556  638.628   71.219  600.500  100.756  676.700  100.682   69.907   6.1668   74.413   5.7751 -4.505981 8.448715 
1 1 1    1   36    3 o   52.460   3.0864  328.785   38.064  353.900   53.901  303.800   53.762   54.156   4.2490   50.057   4.5997 4.099323 6.261896 
1 1 1    1   36    4 o   10.129   1.7460   12.490   4.0251   14.700   5.8476   10.500   5.5488   10.925   2.3374   9.2487   2.4868 1.676168 3.412865 
1 1 1    1   36    5 o   69.652   3.9698  582.881   65.022  559.000   91.919  606.800   91.991   67.538   5.8205   70.490   5.5720 -2.951828 8.057602 
1 1 1    1   36    6 f   30.699   2.1948  112.336   15.806  118.400   22.378  106.300   22.328   31.385   3.0584   29.690   3.2372 1.695683 4.453433 
1 1 1    1   36    7 o   67.898   3.6094  552.547   57.663  421.700   81.300  685.000   81.797   58.509   5.9679   75.275   4.6242 -16.76548 7.549765 
1 1 1    1   36    8 o   72.877   4.0010  638.601   68.589  723.500   97.200  554.400   96.799   77.038   5.3769   67.042   6.1842 9.995888 8.194808 
1 1 1    1   36    9 o   38.471   2.4926  176.539   22.521  152.800   31.843  200.300   31.857   35.513   3.8593   40.833   3.3331 -5.319115 5.099361 
1 1 1    1   36   10 o   34.225   2.3468  139.727   18.852  136.900   26.788  142.500   26.534   33.683   3.4152   34.394   3.3079 -0.7112656 4.754546 
1 1 1    1   36   11 o   37.802   2.5001  170.585   22.191  146.000   31.406  195.100   31.361   34.673   3.9037   40.278   3.3271 -5.604755 5.129195 
1 1 1    1   36   12 o   61.854   3.4751  459.247   50.551  521.600   71.812  398.000   71.172   65.511   4.6728   56.919   5.3584 8.592113 7.109643 
1 1 1    1   36   13 o   18.257   1.8680   39.922   7.9395   37.200   11.502   42.400   10.973   17.439   2.8947   18.710   2.5499 -1.271244 3.857620 
1 1 1    1   36   14 o   15.675   1.7841   29.498   6.4862   28.000   9.3293   30.900   9.0241   15.107   2.7151   15.933   2.4792 -0.8260651 3.676671 
1 1 1    1   36   15 o   51.786   3.1608  322.050   38.467  337.000   54.311  307.000   54.492   52.567   4.4162   50.065   4.6629 2.501949 6.422264 
1 1 1    1   36   16 o   59.539   3.4302  427.086   48.022  459.000   68.199  395.700   67.632   61.178   4.7583   56.614   5.1143 4.564449 6.985477 
1 1 1    1   36   17 o   23.522   1.9427   66.159   10.694   72.600   15.173   59.800   15.075   24.520   2.6633   22.165   2.9538 2.354792 3.977179 
1 1 1    1   36   18 o   34.233   2.3515  140.325   18.893  137.400   26.834  143.200   26.605   33.609   3.4292   34.348   3.3217 -0.7392807 4.774163 
1 1 1    1   36   19 o   52.088   3.1708  327.593   38.815  334.600   54.728  320.500   55.060   52.074   4.4947   50.890   4.6326 1.183941 6.454723 
1 1 1    1   36   20 o   24.913   2.0236   74.377   11.801   70.700   16.530   78.200   16.855   24.079   2.9700   25.368   2.8638 -1.288519 4.125798 
1 1 1    1   36   21 o   23.935   1.9337   68.629   10.836   54.500   15.083   83.700   15.577   21.045   3.1303   26.323   2.5375 -5.277899 4.029642 
1 1 1    1   36   22 o   18.260   1.8720   40.100   7.9577   42.400   11.137   37.700   11.375   18.630   2.6025   17.488   2.8528 1.141916 3.861565 
1 1 1    1   36   23 o   14.513   1.8501   25.479   6.1961   23.500   9.0864   27.200   8.4713   13.716   2.8964   14.867   2.5018 -1.151562 3.827302 
1 1 1    1   36   24 o   17.893   1.8938   38.579   7.8798   41.900   10.870   34.900   11.440   18.511   2.5547   16.754   3.0018 1.757252 3.941773 
1 1 1    1   36   25 o   46.607   2.8629  263.216   31.355  237.400   44.104  289.600   44.586   43.531   4.3488   48.356   3.9389 -4.825272 5.867412 
1 1 1    1   36   26 o   33.777   2.2894  137.341   18.153  112.800   25.439  162.800   25.910   30.142   3.6484   36.536   3.0306 -6.394152 4.742953 
1 1 1    1   36   27 o   46.022   2.9037  257.303   31.394  253.800   44.420  260.800   44.376   45.010   4.2289   45.673   4.1602 -0.6628609 5.932195 
1 1 1    1   36   28 o   10.098   2.1170   12.654   4.8866   7.1000   7.1585   17.500   6.6868   8.2100   2.9271   11.850   2.4698 -3.639863 3.829876 
1 1 1    1   36   29 o   21.692   1.9739   56.737  10.0000   45.900   14.008   68.000   14.280   19.152   3.2112   23.595   2.6066 -4.443007 4.135964 
1 1 1    1   36   30 o   48.793   3.0254  291.873   34.686  325.500   49.258  258.800   48.850   50.735   4.1479   44.800   4.6871 5.934498 6.258903 
1 1 1    1   36   31 o   21.442   1.8844   55.495   9.4445   47.100   13.200   64.300   13.519   19.419   2.9732   22.900   2.5430 -3.480742 3.912403 
1 1 1    1   36   32 o   46.658   2.9680  268.395   32.531  249.300   45.940  287.600   46.072   43.782   4.5081   47.363   4.1616 -3.581341 6.135281 
1 1 1    1   36   33 o   27.410   2.1263   91.273   13.655   85.100   19.193   97.600   19.431   26.012   3.1917   27.980   2.9871 -1.968548 4.371439 
1 1 1    1   36   34 o   19.790   1.9007   47.583   8.7730   53.100   12.669   42.500   12.161   20.652   2.6596   18.351   2.9028 2.300442 3.937010 
1 1 1    1   36   35 o   45.207   2.9249  254.588   31.055  235.000   43.906  274.200   43.932   41.977   4.4996   45.795   4.1062 -3.818256 6.091586 
1 1 1    1   36   36 o   37.979   2.5286  177.780   22.548  202.500   32.132  153.800   31.647   39.843   3.4493   34.271   3.9850 5.572422 5.270484 
1 1 1    1   36   37 o   9.8592   1.9427   12.156   4.3621   10.800   6.1820   13.500   6.1558   9.2287   2.6789   10.272   2.5498 -1.042852 3.698428 
1 1 1    1   36   38 o   37.125   2.6039  171.817   22.683  186.700   32.007  156.800   32.151   37.794   3.6312   34.214   4.0587 3.580170 5.445934 
1 1 1    1   36   39 o   17.987   3.0175   42.200   12.362   0.0000   0.0000   42.200   12.362  ?   ?    17.987   3.0175 0.000000 3.017492 
1 1 1    1   36   40 o   21.041   1.9607   54.985   9.6300   54.100   13.906   55.800   13.349   20.234   3.0015   20.689   2.8047 -0.4548893 4.107911 
1 1 1    1   36   41 f   28.096   2.1733   99.908   14.307   75.900   20.113  124.500   20.355   22.925   3.8518   30.676   2.8423 -7.750919 4.787014 
1 1 1    1   36   42 o   9.9512   2.7530   13.600   6.6874   13.600   6.6874   0.0000   0.0000   9.9512   2.7530  ?   ?  0.000000 2.753002 
1 1 1    1   36   43 o   11.531   2.7730   18.500   7.4578   18.500   7.4578   0.0000   0.0000   11.531   2.7730  ?   ?  0.000000 2.772959 
1 1 1    1   36   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   36   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   37    0 o   5.8194   2.8198   5.9000   4.5251   5.9000   4.5251   5.9000   4.5251   5.8194   2.8198   5.8194   2.8198 -0.000000 0.000000 
1 1 1    1   37    1 o   20.998   1.8571   52.638   9.1132   53.700   12.965   51.600   12.812   21.090   2.6628   20.662   2.6897 0.4275494 3.784832 
1 1 1    1   37    2 f   29.690   2.1372  105.082   14.884   96.500   21.027  113.700   21.071   28.270   3.2065   30.765   2.9360 -2.495285 4.347649 
1 1 1    1   37    3 o   33.657   2.2829  135.051   18.037  151.800   25.545  118.400   25.470   35.561   3.0723   31.287   3.5079 4.273558 4.663100 
1 1 1    1   37    4 o   35.978   2.3057  154.272   19.485  118.800   27.469  190.200   27.645   31.273   3.7976   39.853   2.9587 -8.579535 4.814090 
1 1 1    1   37    5 o  103.082   5.5190  1297.37  133.852  1080.90  188.976  1515.30  189.616   91.733   8.8332  110.063   7.3378 -18.32961 11.48344 
1 1 1    1   37    6 o   57.291   3.0792  392.513   41.504  505.500   58.916  281.200   58.478   64.812   3.8672   47.844   5.2632 16.96797 6.531192 
1 1 1    1   37    7 o   44.995   2.7245  241.826   28.812  202.700   40.630  281.400   40.862   40.820   4.2787   48.351   3.6049 -7.530518 5.594875 
1 1 1    1   37    8 o   33.388   2.2840  132.993   17.900  121.500   25.306  144.500   25.322   31.693   3.4365   34.659   3.1276 -2.966267 4.646649 
1 1 1    1   37    9 o   4.5004   1.6636   1.8603   2.3400   1.2000   3.2192   2.6000   3.4074   4.7130   1.8931   5.3804   2.0038 -0.6674538 2.756620 
1 1 1    1   37   10 f   65.802   3.5506  520.283   54.965  644.100   77.880  397.400   77.586   72.841   4.5506   56.597   5.8917 16.24364 7.444490 
1 1 1    1   37   11 o   83.946   4.5622  856.029   90.096  679.400  127.281  1033.40  127.548   73.035   7.4860   91.387   5.9429 -18.35160 9.558118 
1 1 1    1   37   12 o   11.661   1.8112   16.501   4.8253   21.600   6.9289   11.700   6.7237   13.294   2.2898   9.7815   2.7799 3.512848 3.601532 
1 1 1    1   37   13 o   53.702   3.2406  346.803   40.902  330.800   57.940  362.700   57.748   51.892   4.7822   54.460   4.5317 -2.567966 6.588312 
1 1 1    1   37   14 o   96.347   5.1996  1144.15  117.857  1270.80  167.512  1020.00  165.850   99.713   7.1620   88.433   8.0297 11.27939 10.75964 
1 1 1    1   37   15 o   47.983   3.0004  276.890   33.825  261.800   48.061  291.700   47.614   46.142   4.4669   48.848   4.1677 -2.706318 6.109261 
1 1 1    1   37   16 o   22.838   1.9759   62.457   10.551   51.100   15.026   73.500   14.817   20.381   3.2299   24.676   2.5811 -4.294966 4.134552 
1 1 1    1   37   17 o   32.886   2.2773  129.563   17.576  118.400   24.871  140.700   24.842   31.138   3.4400   34.067   3.1228 -2.929451 4.646016 
1 1 1    1   37   18 f   18.808   1.8430   42.452   8.0799   41.200   11.685   43.600   11.185   18.336   2.7864   18.922   2.5697 -0.5860806 3.790456 
1 1 1    1   37   19 o   16.010   1.7869   30.845   6.6402   33.900   9.7474   28.200   9.0705   16.641   2.5628   15.131   2.6343 1.509588 3.675298 
1 1 1    1   37   20 o   57.012   3.4481  395.694   46.202  377.400   65.510  413.800   65.171   54.690   5.1327   57.480   4.8467 -2.790432 7.059404 
1 1 1    1   37   21 o   16.888   1.8312   34.340   7.1856   31.100   10.311   37.400   10.019   15.840   2.8620   17.496   2.4959 -1.655688 3.797410 
1 1 1    1   37   22 o   39.773   2.6129  190.877   24.404  192.200   34.818  189.600   34.214   39.455   3.7835   39.204   3.7412 0.2511559 5.320870 
1 1 1    1   37   23 o   4.7208   1.8435   1.6024   2.9729  -0.9000   4.4025   3.7000   4.0307   4.7484   2.0743   6.0782   2.1932 -1.329778 3.018759 
1 1 1    1   37   24 o   18.277   1.8990   40.250   8.0760   39.000   11.209   41.600   11.646   17.792   2.7571   18.384   2.7686 -0.5925713 3.907329 
1 1 1    1   37   25 o   43.611   2.7374  230.283   28.047  218.400   39.084  242.900   40.272   41.883   4.0004   44.245   3.8942 -2.362251 5.582881 
1 1 1    1   37   26 o   2.0864   1.0006  -2.0519   1.4189   3.1000   1.6058 -20.4000   3.0305   5.0223   1.3322  ?   ?  0.000000 1.332190 
1 1 1    1   37   27 o   18.209   1.8202   39.939   7.7216   40.500   11.031   39.400   10.812   18.142   2.6535   17.893   2.6381 0.2489319 3.741688 
1 1 1    1   37   28 o   7.0942   2.0648   6.1500   3.6682   10.400   5.1876   1.9000   5.1876   9.1280   2.3816   5.9249   2.3950 3.203115 3.377572 
1 1 1    1   37   29 o   25.723   2.0896   79.938   12.583   87.900   17.646   71.700   17.949   26.736   2.8384   23.965   3.2560 2.770641 4.319504 
1 1 1    1   37   30 o   26.941   2.1438   87.903   13.526   79.500   19.075   96.400   19.182   25.191   3.2849   27.918   2.9546 -2.727398 4.418186 
1 1 1    1   37   31 o   10.002   2.2493   12.547   5.1836   11.900   7.3146   13.200   7.3471   9.7772   2.9341   10.235   2.9050 -0.4573326 4.128860 
1 1 1    1   37   32 o   6.1321   2.1048   4.1793   3.6784   0.0000   6.2446   6.4000   4.5519   5.8791   2.5189   7.3173   2.3351 -1.438208 3.434777 
1 1 1    1   37   33 o   16.650   1.8939   33.797   7.3139   29.400   10.665   37.700   10.049   15.135   3.0888   17.400   2.5190 -2.264904 3.985684 
1 1 1    1   37   34 o   25.687   2.1216   80.488   12.754   86.000   17.896   74.800   18.180   26.182   2.9459   24.241   3.2585 1.940845 4.392742 
1 1 1    1   37   35 o   9.8281   2.1416   12.157   4.8296   13.300   6.3600   10.600   7.4227   10.208   2.6241   9.2817   2.9840 0.9258804 3.973713 
1 1 1    1   37   36 o   6.3346   1.8860   4.9220   3.0311   5.9000   4.2402   3.9000   4.3347   7.0145   2.2554   6.2057   2.2690 0.8088083 3.199185 
1 1 1    1   37   37 o   19.102   2.9117   46.700   12.718   0.0000   0.0000   46.700   12.718  ?   ?    19.102   2.9117 0.000000 2.911655 
1 1 1    1   37   38 o   21.758   3.0238   61.400   15.116   0.0000   0.0000   61.400   15.116  ?   ?    21.758   3.0238 0.000000 3.023833 
1 1 1    1   37   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   37   40 f   14.927   2.7735   29.800   9.4163   29.800   9.4163   0.0000   0.0000   14.927   2.7735  ?   ?  0.000000 2.773536 
1 1 1    1   37   41 o   10.001   2.0302   12.974   4.6308   9.8000   6.4272   16.400   6.6778   8.5769   2.7787   11.003   2.6096 -2.426557 3.811982 
1 1 1    1   37   42 o   14.938   2.9427   31.100   10.011   31.100   10.011   0.0000   0.0000   14.938   2.9427  ?   ?  0.000000 2.942746 
1 1 1    1   37   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   37   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38    0 f   47.726   4.2647  278.000   47.180  278.000   47.180  278.000   47.180   47.726   4.2647   47.726   4.2647 0.000000 0.000000 
1 1 1    1   38    1 o   60.494   3.4935  439.451   49.691  399.900   70.186  479.200   70.361   57.086   5.2660   62.728   4.7863 -5.641674 7.116128 
1 1 1    1   38    2 o   52.121   3.1302  325.454   38.347  329.600   54.205  321.300   54.258   52.074   4.4509   51.388   4.5172 0.6859207 6.341637 
1 1 1    1   38    3 o   16.648   1.7661   33.208   6.8370   34.100   9.6270   32.300   9.7114   16.753   2.5109   16.277   2.6153 0.4763222 3.625520 
1 1 1    1   38    4 o   66.085   3.8120  526.044   59.234  511.800   83.753  540.300   83.786   64.473   5.5555   66.330   5.3961 -1.857468 7.744753 
1 1 1    1   38    5 o   35.797   2.3436  152.931   19.701  169.900   28.046  136.400   27.681   37.575   3.1911   33.559   3.5469 4.016472 4.771130 
1 1 1    1   38    6 o   43.883   2.7380  230.344   28.231  239.500   39.937  221.200   39.911   44.478   3.8401   42.685   4.0065 1.792923 5.549635 
1 1 1    1   38    7 o   14.757   1.7845   26.189   6.0923   28.700   8.6340   23.700   8.5976   15.343   2.4667   13.867   2.7228 1.475667 3.673975 
1 1 1    1   38    8 o   66.357   3.5655  530.202   55.664  658.000   78.953  403.900   78.489   73.498   4.5718   56.897   5.9291 16.60103 7.487009 
1 1 1    1   38    9 o   7.6973   1.8397   7.3103   3.2984   8.7000   4.8344   6.1000   4.5115   8.4293   2.3438   7.2518   2.3258 1.177570 3.301998 
1 1 1    1   38   10 o   50.836   3.0979  310.505   37.010  284.300   52.396  336.600   52.285   48.103   4.6717   52.545   4.2504 -4.441593 6.315883 
1 1 1    1   38   11 o   53.136   3.1709  339.677   39.605  348.900   56.080  330.500   55.939   53.364   4.4922   51.877   4.6146 1.487095 6.440073 
1 1 1    1   38   12 o   61.058   3.5428  450.629   50.860  512.600   71.968  388.800   71.886   64.549   4.7551   55.771   5.5315 8.778248 7.294376 
1 1 1    1   38   13 o   25.067   1.9972   75.166   11.724   78.800   16.907   71.800   16.271   25.502   2.8567   24.322   2.8897 1.180899 4.063322 
1 1 1    1   38   14 o   41.049   2.6821  202.431   25.855  191.900   36.797  212.700   36.336   39.549   3.9950   41.755   3.7244 -2.206532 5.461735 
1 1 1    1   38   15 o   79.263   4.6701  776.187   87.023  709.200  123.288  842.700  122.851   73.578   7.1878   80.981   6.4786 -7.403137 9.676609 
1 1 1    1   38   16 o   15.979   2.0647   30.905   7.6085   16.600   11.318   42.700   10.277   11.728   3.6748   18.764   2.3724 -7.036869 4.374110 
1 1 1    1   38   17 o   11.631   1.8006   16.456   4.7855   20.500   6.9964   12.900   6.5601   12.899   2.3849   10.190   2.6876 2.708447 3.593205 
1 1 1    1   38   18 o   29.700   2.0735  105.683   14.451  122.100   20.812   90.400   20.080   31.753   2.8045   27.179   3.1894 4.573582 4.247039 
1 1 1    1   38   19 o   30.760   2.1372  113.485   15.427  129.200   21.933   98.100   21.703   32.633   2.8758   28.271   3.3138 4.362032 4.387623 
1 1 1    1   38   20 o   43.901   2.7933  233.000   28.807  227.600   40.932  238.300   40.549   42.820   4.0981   43.895   3.9545 -1.075020 5.694973 
1 1 1    1   38   21 o   64.428   3.8501  510.891   58.307  494.900   82.696  526.700   82.222   61.923   5.7202   64.110   5.4840 -2.187092 7.924329 
1 1 1    1   38   22 o   14.461   1.7518   25.252   5.8601   28.000   8.5333   22.800   8.0617   15.086   2.4817   13.553   2.6138 1.533412 3.604313 
1 1 1    1   38   23 f   5.0266   1.8810   2.2597   3.0098  -1.0000   4.2968   5.4000   4.2174   4.6591   2.0419   6.8559   2.2525 -2.196798 3.040287 
1 1 1    1   38   24 o   24.671   2.0245   73.194   11.690   62.700   16.608   83.500   16.458   22.500   3.2175   26.185   2.7004 -3.685492 4.200565 
1 1 1    1   38   25 o   43.361   2.7555  227.959   28.068  207.700   39.323  249.000   40.074   40.714   4.1482   44.797   3.8251 -4.082760 5.642601 
1 1 1    1   38   26 o   10.042   2.0379   12.493   4.6673   14.800   6.2569   9.6000   7.0080   10.875   2.4901   8.9948   2.9003 1.880358 3.822598 
1 1 1    1   38   27 o   32.280   2.3267  126.077   17.616  123.300   24.811  128.900   25.017   31.501   3.3887   32.241   3.3342 -0.7391071 4.753941 
1 1 1    1   38   28 f   10.904   1.9945   14.687   4.9460   18.000   7.1220   11.600   6.8741   11.968   2.5948   9.6620   2.8307 2.306497 3.840051 
1 1 1    1   38   29 o   47.487   2.9918  277.583   33.377  270.800   47.143  284.400   47.262   45.831   4.4106   47.071   4.2995 -1.240662 6.159435 
1 1 1    1   38   30 f   29.658   2.2338  106.854   15.529  105.700   21.994  108.000   21.928   29.044   3.2634   29.388   3.2122 -0.3434048 4.579097 
1 1 1    1   38   31 o   17.580   1.9714   37.668   8.0425   39.400   11.028   35.700   11.754   17.746   2.7183   16.745   3.0865 1.001413 4.112869 
1 1 1    1   38   32 o   39.075   2.5440  187.571   23.345  160.400   32.648  216.000   33.395   35.132   4.0072   41.283   3.4576 -6.150665 5.292678 
1 1 1    1   38   33 o   53.276   3.3906  358.964   42.434  331.100   60.025  386.800   59.996   48.942   5.2773   53.595   4.7911 -4.652771 7.127724 
1 1 1    1   38   34 o   8.2357   2.3974   8.4774   4.9449 -11.6000   8.1888   20.000   6.2036   4.9497   2.3815   12.673   2.1499 -7.722927 3.208354 
1 1 1    1   38   35 o   18.109   2.9733   41.900   12.273   0.0000   0.0000   41.900   12.273  ?   ?    18.109   2.9733 0.000000 2.973342 
1 1 1    1   38   36 o   35.995   3.8299  171.600   32.053   0.0000   0.0000  171.600   32.053  ?   ?    35.995   3.8299 0.000000 3.829920 
1 1 1    1   38   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   38   41 o   10.213   2.7851   14.500   6.9022   14.500   6.9022   0.0000   0.0000   10.213   2.7851  ?   ?  0.000000 2.785104 
1 1 1    1   38   42 o   12.810   2.7970   22.800   8.2236   22.800   8.2236   0.0000   0.0000   12.810   2.7970  ?   ?  0.000000 2.796964 
1 1 1    1   38   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39    0 o   73.892   6.1644  674.600  105.838  674.600  105.838  674.600  105.838   73.892   6.1644   73.892   6.1644 -0.000000 0.000000 
1 1 1    1   39    1 o   16.280   1.7694   31.797   6.6926   29.700   9.4571   33.900   9.4723   15.570   2.6682   16.696   2.4777 -1.126363 3.641207 
1 1 1    1   39    2 o   64.023   3.6430  494.537   54.848  444.200   77.366  545.400   77.770   59.831   5.5388   66.642   4.9779 -6.811100 7.446980 
1 1 1    1   39    3 o   38.395   2.4931  176.321   22.481  188.400   31.832  164.300   31.755   39.468   3.4501   36.768   3.7081 2.700039 5.064934 
1 1 1    1   39    4 o   68.943   3.8195  574.760   61.938  491.700   87.364  658.700   87.825   62.683   5.9746   73.151   5.1166 -10.46783 7.866048 
1 1 1    1   39    5 o   37.392   2.4841  167.303   21.809  179.000   30.772  155.500   30.912   38.458   3.4243   35.745   3.7167 2.713741 5.053676 
1 1 1    1   39    6 o   22.954   1.9024   62.975   10.218   68.000   14.561   58.100   14.343   23.730   2.6436   21.871   2.8446 1.858648 3.883299 
1 1 1    1   39    7 f   6.6934   2.0420   5.3380   3.5216   0.6000   5.0864   9.7000   4.8804   5.5344   2.3176   8.8639   2.3087 -3.329494 3.271337 
1 1 1    1   39    8 f   51.836   3.1245  323.429   38.066  339.800   53.868  307.100   53.798   52.664   4.3712   49.946   4.6137 2.718136 6.355538 
1 1 1    1   39    9 o   28.747   2.1101   98.829   14.224  103.800   20.157   93.900   20.074   29.291   2.9547   27.808   3.1103 1.483040 4.289954 
1 1 1    1   39   10 o   65.194   3.7653  516.174   57.719  578.400   81.676  454.100   81.577   68.248   5.1051   59.979   5.8336 8.268581 7.751910 
1 1 1    1   39   11 f   17.006   1.8385   34.759   7.2654   40.200   10.132   29.000   10.424   18.197   2.4178   15.289   2.9943 2.907869 3.848560 
1 1 1    1   39   12 o   22.042   1.8788   58.173   9.6856   49.800   13.596   66.800   13.801   20.166   2.9419   23.508   2.5257 -3.342676 3.877364 
1 1 1    1   39   13 o   17.445   1.8054   36.549   7.3295   24.600   10.387   48.400   10.344   14.018   3.2073   20.027   2.2250 -6.008562 3.903534 
1 1 1    1   39   14 o   24.033   2.0041   69.245   11.270   72.700   15.729   65.600   16.157   24.466   2.7714   23.162   3.0264 1.304045 4.103596 
1 1 1    1   39   15 o   50.192   3.0811  304.826   36.341  302.300   51.668  307.300   51.125   49.326   4.4849   49.784   4.3940 -0.4577217 6.278679 
1 1 1    1   39   16 o   60.798   3.7361  452.340   53.378  403.700   75.754  500.300   75.223   56.054   5.8074   63.019   5.0987 -6.964886 7.728056 
1 1 1    1   39   17 o   40.641   2.6145  199.053   24.958  204.600   35.613  193.700   34.987   40.782   3.7398   39.654   3.7822 1.127621 5.318963 
1 1 1    1   39   18 o   47.797   2.7890  275.945   31.342  320.300   44.739  233.200   43.920   51.064   3.7362   43.221   4.3630 7.842960 5.744110 
1 1 1    1   39   19 o   61.623   3.6518  465.357   52.902  477.800   74.945  453.000   74.684   61.296   5.2278   59.561   5.3677 1.735111 7.492829 
1 1 1    1   39   20 o   17.601   1.8358   37.294   7.5174   38.300   10.665   36.300   10.598   17.665   2.6375   17.172   2.7030 0.4928226 3.776597 
1 1 1    1   39   21 o   18.497   1.7696   41.110   7.6350   48.900   11.136   34.200   10.488   20.056   2.3991   16.635   2.7671 3.420130 3.662279 
1 1 1    1   39   22 o   31.522   2.2459  119.586   16.609  126.800   23.593  112.500   23.384   32.179   3.1452   30.227   3.3315 1.952085 4.581584 
1 1 1    1   39   23 o   46.981   2.8925  267.999   31.933  279.400   45.572  257.000   44.760   47.318   4.1197   45.301   4.2333 2.016483 5.906995 
1 1 1    1   39   24 o   27.277   2.1108   89.597   13.490   83.600   19.154   95.500   19.003   26.019   3.1838   27.923   2.9254 -1.904057 4.323726 
1 1 1    1   39   25 o   41.859   2.7276  213.069   26.813  209.300   38.278  216.700   37.572   40.802   4.0253   41.618   3.8673 -0.8163605 5.582058 
1 1 1    1   39   26 o   19.614   1.9566   46.510   8.9412   44.700   13.077   48.100   12.253   18.922   3.0288   19.748   2.6982 -0.8260155 4.056346 
1 1 1    1   39   27 f   74.249   4.5936  710.015   80.143  673.100  113.753  746.400  112.932   68.437   7.1442   72.976   6.6257 -4.538940 9.743704 
1 1 1    1   39   28 o   13.982   1.7705   23.759   5.7147   31.100   8.8954   18.600   7.4572   15.848   2.4565   12.137   2.6742 3.711398 3.631181 
1 1 1    1   39   29 o   23.397   2.0121   66.386   11.009   65.000   15.783   67.700   15.363   22.789   3.0064   23.330   2.8477 -0.5410423 4.140994 
1 1 1    1   39   30 o   4.4363   1.6848   1.6800   2.4349   0.1000   3.6092   3.0000   3.2988   4.5313   1.9275   5.4652   1.9822 -0.9339004 2.764856 
1 1 1    1   39   31 o   13.927   1.8736   23.746   6.0053   20.500   8.3065   27.300   8.6920   12.659   2.8478   14.735   2.5927 -2.076821 3.851233 
1 1 1    1   39   32 o   17.978   1.9996   39.492   8.3447   47.000   11.586   31.400   12.028   19.425   2.5905   15.537   3.3751 3.888417 4.254640 
1 1 1    1   39   33 o   22.190   3.0268   62.400   15.446   0.0000   0.0000   62.400   15.446  ?   ?    22.190   3.0268 0.000000 3.026816 
1 1 1    1   39   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   39   40 o   6.9373   2.4272   5.9000   4.9029   0.0000   0.0000   5.9000   4.9029  ?   ?    6.9373   2.4272 0.000000 2.427160 
1 1 1    1   39   41 f   14.560   2.9022   29.500   9.6278   29.500   9.6278   0.0000   0.0000   14.560   2.9022  ?   ?  0.000000 2.902210 
1 1 1    1   39   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   40    0 o   88.310   7.3668  981.500  151.161  981.500  151.161  981.500  151.161   88.310   7.3668   88.310   7.3668 0.000000 0.000000 
1 1 1    1   40    1 o   72.790   4.2051  646.605   71.972  689.100  101.778  604.100  101.789   74.035   5.8698   68.961   6.3211 5.074020 8.626173 
1 1 1    1   40    2 o   38.509   2.5162  177.750   22.755  172.400   32.181  183.100   32.181   37.608   3.6705   38.805   3.5513 -1.197361 5.107288 
1 1 1    1   40    3 o   24.619   1.9646   72.498   11.326   53.800   15.996   91.300   16.040   20.894   3.3557   27.548   2.4927 -6.654848 4.180228 
1 1 1    1   40    4 o   64.823   3.8012  510.587   57.931  479.000   81.975  542.100   81.878   61.710   5.6896   65.934   5.3037 -4.224346 7.778249 
1 1 1    1   40    5 o   44.384   2.7225  236.602   28.396  254.700   40.324  218.800   39.993   45.709   3.7695   42.236   4.0600 3.473095 5.540130 
1 1 1    1   40    6 o   56.332   3.3476  383.834   44.329  396.700   62.731  371.000   62.652   56.608   4.7364   54.639   4.9082 1.968479 6.820875 
1 1 1    1   40    7 o   55.787   3.3070  376.385   43.369  427.500   61.373  325.400   61.295   58.918   4.4440   50.990   5.1618 7.928089 6.811255 
1 1 1    1   40    8 o   33.885   2.3502  137.669   18.689  126.100   26.510  149.100   26.350   32.102   3.5569   35.042   3.2205 -2.939781 4.798245 
1 1 1    1   40    9 o   37.672   2.4541  170.271   21.712  145.200   30.657  195.500   30.753   34.369   3.8432   40.138   3.2731 -5.769257 5.048116 
1 1 1    1   40   10 o   33.319   2.1950  132.936   17.173  100.300   24.136  166.400   24.439   28.537   3.6665   37.138   2.8076 -8.600935 4.617927 
1 1 1    1   40   11 o   63.898   3.7286  497.990   56.016  528.100   79.298  468.000   79.140   64.833   5.2240   60.756   5.5785 4.076385 7.642656 
1 1 1    1   40   12 o   51.655   3.0262  322.501   36.751  363.900   52.164  281.700   51.786   54.373   4.0928   47.505   4.6772 6.868404 6.215069 
1 1 1    1   40   13 o   35.710   2.3858  153.203   20.002  171.100   28.325  135.400   28.250   37.488   3.2313   33.168   3.6684 4.320049 4.888565 
1 1 1    1   40   14 o   31.417   2.2292  118.494   16.430  111.300   23.227  125.700   23.245   30.141   3.3183   32.122   3.1032 -1.980677 4.543274 
1 1 1    1   40   15 o   64.439   3.8261  509.657   57.958  475.100   82.033  544.100   81.897   60.751   5.7884   65.430   5.3474 -4.678688 7.880361 
1 1 1    1   40   16 o   5.4060   1.7452   3.3750   2.5370   3.7000   3.4663   3.0000   3.7232   5.8781   2.0417   5.6715   2.0980 0.2065916 2.927512 
1 1 1    1   40   17 o   26.339   2.1409   83.405   13.200   68.400   18.865   97.800   18.477   23.465   3.5127   28.367   2.7947 -4.902254 4.488769 
1 1 1    1   40   18 o   13.296   2.0002   21.548   6.0853   15.200   9.1926   26.500   8.1189   11.093   3.2802   14.682   2.4266 -3.588891 4.080180 
1 1 1    1   40   19 o   15.344   1.9172   28.499   6.7951   28.800   10.772   28.300   8.7575   15.158   3.1135   15.156   2.5367 0.2611160E-02 4.016067 
1 1 1    1   40   20 o   34.168   2.3455  140.605   18.809  148.800   26.674  132.500   26.528   34.834   3.2814   32.778   3.4806 2.056087 4.783552 
1 1 1    1   40   21 o   12.685   1.8747   19.592   5.4462   18.700   7.6675   20.500   7.7370   12.222   2.7261   12.822   2.6432 -0.6001291 3.797078 
1 1 1    1   40   22 o   25.156   2.0825   76.217   12.259   64.000   17.496   88.000   17.183   22.665   3.3718   26.857   2.7481 -4.192162 4.349827 
1 1 1    1   40   23 o   45.656   2.9393  254.265   31.521  220.100   44.686  288.100   44.469   41.488   4.6407   48.002   3.9585 -6.514042 6.099670 
1 1 1    1   40   24 o   52.897   3.2926  344.566   40.923  307.100   57.964  381.800   57.785   48.528   5.1364   54.727   4.5117 -6.199066 6.836517 
1 1 1    1   40   25 o   11.117   2.2579   15.400   5.7248   1.3000   8.9403   25.200   7.4532   7.2813   3.0621   14.295   2.2850 -7.013517 3.820685 
1 1 1    1   40   26 o   38.443   2.6605  180.518   24.003  156.800   34.178  203.600   33.717   34.943   4.2282   40.309   3.5796 -5.366295 5.539972 
1 1 1    1   40   27 o   17.157   1.8758   35.724   7.4756   35.300   10.901   36.100   10.272   16.767   2.8556   17.030   2.6396 -0.2638054 3.888705 
1 1 1    1   40   28 o   6.8052   2.1230   5.5667   3.7823  -1.4000   6.4032   9.3000   4.6874   5.6487   2.4837   8.6090   2.2725 -2.960308 3.366445 
1 1 1    1   40   29 o   24.845   2.0211   74.946   11.754   79.600   17.018   70.700   16.255   25.251   2.9071   23.756   2.9619 1.494402 4.150189 
1 1 1    1   40   30 o   3.8825   1.6285   0.3000   2.5178   0.0000   0.0000   0.3000   2.5178  ?   ?    3.8825   1.6285 0.000000 1.628465 
1 1 1    1   40   31 o   28.293   3.1236  100.900   20.521   0.0000   0.0000  100.900   20.521  ?   ?    28.293   3.1236 0.000000 3.123561 
1 1 1    1   40   32 o   6.9904   2.4510   5.4000   5.0010   0.0000   0.0000   5.4000   5.0010  ?   ?    6.9904   2.4510 0.000000 2.451001 
1 1 1    1   40   33 o   35.075   3.6884  160.300   30.092   0.0000   0.0000  160.300   30.092  ?   ?    35.075   3.6884 0.000000 3.688440 
1 1 1    1   40   34 o   10.657   2.8517   14.800   7.3177   0.0000   0.0000   14.800   7.3177  ?   ?    10.657   2.8517 0.000000 2.851722 
1 1 1    1   40   35 o   36.639   3.9237  183.900   33.419   0.0000   0.0000  183.900   33.419  ?   ?    36.639   3.9237 0.000000 3.923656 
1 1 1    1   40   36 o   18.428   2.7897   44.500   11.760   0.0000   0.0000   44.500   11.760  ?   ?    18.428   2.7897 0.000000 2.789702 
1 1 1    1   40   37 f   12.334   2.8604   20.700   8.1693   0.0000   0.0000   20.700   8.1693  ?   ?    12.334   2.8604 0.000000 2.860390 
1 1 1    1   40   38 o   8.4933   2.6342   9.6000   5.8324   0.0000   0.0000   9.6000   5.8324  ?   ?    8.4933   2.6342 0.000000 2.634203 
1 1 1    1   40   39 o   11.523   3.0115   18.800   8.2856   0.0000   0.0000   18.800   8.2856  ?   ?    11.523   3.0115 0.000000 3.011510 
1 1 1    1   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   40   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   41    0 o   51.008   4.5253  320.500   53.520  320.500   53.520  320.500   53.520   51.008   4.5253   51.008   4.5253 0.000000 0.000000 
1 1 1    1   41    1 o   34.591   2.2656  143.330   18.404  115.800   25.879  171.500   26.178   30.713   3.6390   37.669   2.9670 -6.955658 4.695302 
1 1 1    1   41    2 o   15.154   1.6707   27.591   5.8788   34.900   8.5037   20.900   8.1361   16.978   2.1708   12.969   2.7424 4.008891 3.497633 
1 1 1    1   41    3 o   27.861   2.0251   92.889   13.232  108.300   18.812   77.800   18.615   29.951   2.6885   25.220   3.1975 4.731058 4.177565 
1 1 1    1   41    4 o   50.638   2.8998  308.947   34.530  253.100   48.595  365.900   49.075   45.111   4.6275   54.731   3.8212 -9.619728 6.001247 
1 1 1    1   41    5 o   80.171   4.6091  794.882   86.890  726.300  122.819  863.600  122.941   74.394   7.0767   81.886   6.4092 -7.491791 9.547654 
1 1 1    1   41    6 o   39.306   2.5516  185.689   23.555  189.700   33.358  181.700   33.265   39.381   3.6279   38.508   3.7040 0.8738937 5.184723 
1 1 1    1   41    7 o   67.102   3.9319  551.217   62.029  564.000   87.665  538.400   87.780   66.668   5.6211   65.002   5.7791 1.666306 8.061926 
1 1 1    1   41    8 o   21.375   1.8681   54.773   9.3345   48.600   13.172   61.000   13.230   19.908   2.8861   22.430   2.5428 -2.521732 3.846495 
1 1 1    1   41    9 o   38.541   2.5032  178.602   22.658  170.600   31.948  186.700   32.139   37.278   3.6773   39.072   3.5212 -1.793972 5.091264 
1 1 1    1   41   10 o   23.186   1.9494   64.473   10.574   61.800   15.019   67.100   14.889   22.485   2.8960   23.485   2.7362 -0.9994526 3.984183 
1 1 1    1   41   11 o   18.831   1.7888   42.561   7.8588   48.900   11.194   36.400   11.036   20.074   2.4096   17.184   2.8173 2.889887 3.707265 
1 1 1    1   41   12 o   41.685   2.6615  209.494   26.061  206.300   36.821  212.700   36.892   40.905   3.8576   41.564   3.8008 -0.6597404 5.415464 
1 1 1    1   41   13 o   57.217   3.5454  399.943   47.666  456.500   67.207  342.700   67.613   60.357   4.7540   51.648   5.6354 8.708801 7.372816 
1 1 1    1   41   14 o   53.824   3.1960  352.007   40.438  313.700   57.119  390.500   57.257   49.848   4.9165   56.034   4.3617 -6.185291 6.572417 
1 1 1    1   41   15 o   12.432   1.8013   18.773   5.1340   29.100   7.9233   11.300   6.7403   15.446   2.2376   9.5922   2.8010 5.853583 3.584988 
1 1 1    1   41   16 o   28.337   2.1198   96.456   14.082  109.100   19.910   83.800   19.920   29.950   2.8495   26.075   3.3097 3.875067 4.367300 
1 1 1    1   41   17 o   12.380   1.7995   18.625   5.1067   19.500   7.3283   17.800   7.1200   12.521   2.5649   11.946   2.5979 0.5743952 3.650735 
1 1 1    1   41   18 o   30.152   2.1904  109.333   15.489   98.700   21.939  119.900   21.871   28.293   3.3488   31.344   2.9912 -3.051323 4.490240 
1 1 1    1   41   19 o   44.355   2.7406  238.159   28.564  256.800   40.663  220.000   40.134   45.551   3.8156   41.990   4.1000 3.560890 5.600821 
1 1 1    1   41   20 o   4.0145   1.6520   0.5896   2.5220   10.400   6.4209  -1.2000   2.7424   9.2135   2.7454   3.5558   1.5908 5.657722 3.172966 
1 1 1    1   41   21 o   26.632   2.1113   85.501   13.169   75.900   18.774   94.800   18.476   24.713   3.2995   27.825   2.8523 -3.111555 4.361447 
1 1 1    1   41   22 o   28.468   1.9546   97.432   13.060  123.800   19.018   73.900   17.967   31.920   2.5443   24.392   3.1962 7.527094 4.085240 
1 1 1    1   41   23 o   19.678   1.8326   46.700   8.4177   51.700   12.231   42.200   11.603   20.513   2.5822   18.454   2.7463 2.059031 3.769614 
1 1 1    1   41   24 o   46.290   2.9914  263.328   32.523  242.700   46.196  283.600   45.796   43.312   4.5866   47.212   4.1500 -3.899517 6.185450 
1 1 1    1   41   25 o   43.485   2.6576  231.062   27.158  263.700   38.860  199.900   37.971   45.821   3.6209   39.506   4.1314 6.315056 5.493596 
1 1 1    1   41   26 o   26.778   2.1625   87.114   13.557   74.700   19.384   99.000   18.967   24.242   3.4865   28.261   2.8826 -4.018677 4.523872 
1 1 1    1   41   27 o   34.001   3.4629  146.200   27.415   0.0000   0.0000  146.200   27.415  ?   ?    34.001   3.4629 0.000000 3.462945 
1 1 1    1   41   28 o   38.205   3.7621  186.900   33.499   0.0000   0.0000  186.900   33.499  ?   ?    38.205   3.7621 0.000000 3.762065 
1 1 1    1   41   29 o   13.557   2.6042   23.200   8.0340   0.0000   0.0000   23.200   8.0340  ?   ?    13.557   2.6042 0.000000 2.604212 
1 1 1    1   41   30 o   18.269   2.7650   42.000   11.555   0.0000   0.0000   42.000   11.555  ?   ?    18.269   2.7650 0.000000 2.765027 
1 1 1    1   41   31 o   6.3465   2.5588   2.5000   5.9051   0.0000   0.0000   2.5000   5.9051  ?   ?    6.3465   2.5588 0.000000 2.558814 
1 1 1    1   41   32 o   13.917   2.9390   25.100   9.3551   0.0000   0.0000   25.100   9.3551  ?   ?    13.917   2.9390 0.000000 2.938950 
1 1 1    1   41   33 o   19.156   3.0686   47.700   13.412   0.0000   0.0000   47.700   13.412  ?   ?    19.156   3.0686 0.000000 3.068583 
1 1 1    1   41   34 o   10.005   2.8063   13.200   6.8990   0.0000   0.0000   13.200   6.8990  ?   ?    10.005   2.8063 0.000000 2.806345 
1 1 1    1   41   35 o   9.1738   2.8405   11.100   6.7850   0.0000   0.0000   11.100   6.7850  ?   ?    9.1738   2.8405 0.000000 2.840499 
1 1 1    1   41   36 f   14.742   2.9940   29.700   10.066   0.0000   0.0000   29.700   10.066  ?   ?    14.742   2.9940 0.000000 2.993954 
1 1 1    1   41   37 o   12.295   3.0474   21.200   8.8031   0.0000   0.0000   21.200   8.8031  ?   ?    12.295   3.0474 0.000000 3.047401 
1 1 1    1   41   38 o   19.611   2.9940   53.100   13.425   0.0000   0.0000   53.100   13.425  ?   ?    19.611   2.9940 0.000000 2.993953 
1 1 1    1   41   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   42    0 o   10.285   3.1208   15.600   6.6152   15.600   6.6152   15.600   6.6152   10.285   3.1208   10.285   3.1208 0.000000 0.000000 
1 1 1    1   42    1 o   21.849   1.8788   57.227   9.5993   53.900   13.432   60.700   13.724   21.011   2.7752   22.347   2.6525 -1.336021 3.838984 
1 1 1    1   42    2 o   21.811   1.9378   57.083   9.8765   48.400   14.077   65.500   13.860   19.806   3.1127   23.244   2.5681 -3.438202 4.035347 
1 1 1    1   42    3 o   33.246   2.2945  132.686   17.903  111.800   25.311  153.600   25.328   30.122   3.6317   35.570   3.0448 -5.447983 4.739182 
1 1 1    1   42    4 o   29.752   2.2029  106.246   15.367  119.000   21.651   93.300   21.813   31.299   2.9648   27.544   3.4279 3.754478 4.532217 
1 1 1    1   42    5 o   38.974   2.5182  182.735   23.051  157.800   32.557  207.800   32.642   35.727   3.9237   41.276   3.3787 -5.548458 5.177886 
1 1 1    1   42    6 o   66.446   3.7605  540.276   58.761  451.100   82.928  630.200   83.275   59.092   6.0274   70.835   5.0109 -11.74283 7.838331 
1 1 1    1   42    7 o   61.384   3.6159  460.164   52.180  482.000   73.854  438.400   73.733   61.831   5.1039   58.752   5.3742 3.079399 7.411629 
1 1 1    1   42    8 o   49.815   3.0346  300.519   35.526  273.700   50.212  327.400   50.271   46.775   4.6058   51.441   4.1745 -4.666424 6.216105 
1 1 1    1   42    9 f   26.520   2.0486   84.371   12.730   96.000   18.025   72.800   17.980   28.130   2.7486   24.335   3.2072 3.795755 4.223842 
1 1 1    1   42   10 o   52.137   3.1408  329.853   38.487  355.800   54.479  304.000   54.379   53.508   4.3493   49.207   4.7385 4.300694 6.431973 
1 1 1    1   42   11 o   22.180   1.8592   58.990   9.6481   68.600   13.838   49.900   13.459   23.794   2.5003   20.150   2.9131 3.643351 3.838956 
1 1 1    1   42   12 o   40.932   2.5927  202.000   24.930  185.600   35.150  218.600   35.364   38.726   3.8967   42.200   3.5827 -3.474033 5.293355 
1 1 1    1   42   13 o   30.641   2.2073  112.812   15.864  111.300   22.529  114.300   22.342   30.145   3.2146   30.578   3.1388 -0.4329128 4.492832 
1 1 1    1   42   14 o   21.526   1.8933   55.645   9.5258   47.400   13.388   64.100   13.557   19.598   2.9874   22.971   2.5419 -3.372881 3.922470 
1 1 1    1   42   15 o   49.080   3.0249  292.561   34.886  283.000   49.365  302.100   49.308   47.510   4.4522   49.200   4.2870 -1.690601 6.180600 
1 1 1    1   42   16 o   17.773   1.7838   37.994   7.3856   37.400   10.393   38.600   10.497   17.454   2.6011   17.742   2.5812 -0.2883053 3.664471 
1 1 1    1   42   17 o   23.749   1.9617   67.794   10.903   71.300   15.546   64.400   15.295   24.153   2.7763   22.906   2.8922 1.246923 4.009081 
1 1 1    1   42   18 o   20.434   1.8530   50.229   8.8441   39.200   12.468   61.400   12.548   17.721   3.0918   22.481   2.4008 -4.759312 3.914508 
1 1 1    1   42   19 o   46.420   2.9163  262.676   31.805  276.400   44.937  248.900   45.021   46.921   4.0969   44.340   4.3561 2.580940 5.979974 
1 1 1    1   42   20 o   17.016   1.8279   34.977   7.2298   43.400   10.208   26.500   10.241   18.852   2.3436   14.480   3.0893 4.372449 3.877653 
1 1 1    1   42   21 o   30.769   2.2286  114.485   16.083  117.700   23.177  111.500   22.336   30.809   3.2341   29.992   3.2034 0.8167553 4.552041 
1 1 1    1   42   22 o   53.248   3.4733  352.428   43.433  303.500   61.827  400.100   61.028   47.544   5.6154   55.635   4.6891 -8.091183 7.315784 
1 1 1    1   42   23 o   52.976   3.1214  346.495   38.874  285.200   54.496  410.000   55.470   46.446   5.0503   56.692   4.1729 -10.24588 6.551244 
1 1 1    1   42   24 o   8.9486   2.5512  10.0000   5.6538   0.0000   0.0000  10.0000   5.6538  ?   ?    8.9486   2.5512 0.000000 2.551214 
1 1 1    1   42   25 o   12.855   2.5535   20.800   7.4780   0.0000   0.0000   20.800   7.4780  ?   ?    12.855   2.5535 0.000000 2.553516 
1 1 1    1   42   26 o   18.663   3.0084   44.000   12.807   0.0000   0.0000   44.000   12.807  ?   ?    18.663   3.0084 0.000000 3.008410 
1 1 1    1   42   27 o   31.754   3.3946  127.600   25.059   0.0000   0.0000  127.600   25.059  ?   ?    31.754   3.3946 0.000000 3.394601 
1 1 1    1   42   28 o   13.644   2.6904   23.600   8.3597   0.0000   0.0000   23.600   8.3597  ?   ?    13.644   2.6904 0.000000 2.690392 
1 1 1    1   42   29 o   12.103   3.1280   19.000   9.0044   0.0000   0.0000   19.000   9.0044  ?   ?    12.103   3.1280 0.000000 3.128041 
1 1 1    1   42   30 o   11.947   2.9483   18.500   8.2666   0.0000   0.0000   18.500   8.2666  ?   ?    11.947   2.9483 0.000000 2.948320 
1 1 1    1   42   31 o   5.1653   2.1972   0.3000   4.6900   0.0000   0.0000   0.3000   4.6900  ?   ?    5.1653   2.1972 0.000000 2.197203 
1 1 1    1   42   32 o   20.087   2.9889   52.400   13.745   0.0000   0.0000   52.400   13.745  ?   ?    20.087   2.9889 0.000000 2.988945 
1 1 1    1   42   33 o   25.340   3.1862   85.200   18.644   0.0000   0.0000   85.200   18.644  ?   ?    25.340   3.1862 0.000000 3.186213 
1 1 1    1   42   34 o   16.292   3.0115   35.800   11.159   0.0000   0.0000   35.800   11.159  ?   ?    16.292   3.0115 0.000000 3.011550 
1 1 1    1   42   35 o   19.308   3.0617   50.700   13.493   0.0000   0.0000   50.700   13.493  ?   ?    19.308   3.0617 0.000000 3.061700 
1 1 1    1   42   36 o   12.208   2.9968   20.800   8.5752   0.0000   0.0000   20.800   8.5752  ?   ?    12.208   2.9968 0.000000 2.996808 
1 1 1    1   42   37 o   23.518   3.3906   78.700   18.286   0.0000   0.0000   78.700   18.286  ?   ?    23.518   3.3906 0.000000 3.390604 
1 1 1    1   42   38 o   13.014   3.1370   24.300   9.5270   0.0000   0.0000   24.300   9.5270  ?   ?    13.014   3.1370 0.000000 3.136985 
1 1 1    1   43    0 o   4.3365   2.4975   2.8000   4.1067   2.8000   4.1067   2.8000   4.1067   4.3365   2.4975   4.3365   2.4975 0.000000 0.000000 
1 1 1    1   43    1 o   15.835   1.9103   30.286   6.9987   42.000   9.7062   17.600   10.101   18.616   2.2539   11.897   3.4159 6.718908 4.092479 
1 1 1    1   43    2 o   24.576   1.9817   72.442   11.403   70.400   16.092   74.500   16.159   24.014   2.8964   24.733   2.8170 -0.7194633 4.040397 
1 1 1    1   43    3 o   9.8968   1.7843   12.004   4.0164   19.900   6.2338   6.4000   5.2517   12.743   2.1481   7.5206   2.5154 5.222228 3.307788 
1 1 1    1   43    4 o   30.114   2.1779  108.849   15.382  108.700   21.703  109.000   21.805   29.838   3.1268   29.876   3.1377 -0.3802490E-01 4.429634 
1 1 1    1   43    5 o   24.139   1.9870   69.920   11.226   81.800   15.829   57.900   15.922   25.979   2.6159   21.656   3.2108 4.323351 4.141527 
1 1 1    1   43    6 o   9.3776   1.9632   10.868   4.2078   7.5000   5.9233   14.300   5.9787   8.0809   2.6702   10.720   2.4193 -2.639036 3.603166 
1 1 1    1   43    7 o   48.306   2.9411  282.475   33.388  316.900   47.269  248.200   47.166   50.667   3.9830   44.507   4.5519 6.159935 6.048449 
1 1 1    1   43    8 f   36.353   2.4644  159.122   21.030  179.600   29.689  138.500   29.793   38.343   3.3115   33.436   3.8433 4.906559 5.073180 
1 1 1    1   43    9 o   29.204   1.9984  102.183   13.699   72.400   19.194  133.100   19.556   24.174   3.4613   33.219   2.5116 -9.044493 4.276516 
1 1 1    1   43   10 o   41.344   2.6123  206.175   25.373  239.900   35.949  172.700   35.816   44.265   3.4670   37.223   4.1452 7.042629 5.403930 
1 1 1    1   43   11 o   32.254   2.2170  125.003   16.782  106.200   23.612  144.200   23.858   29.337   3.4760   34.427   2.9636 -5.090591 4.567938 
1 1 1    1   43   12 o   26.480   2.0487   84.207   12.710   81.800   18.000   86.600   17.950   25.847   3.0053   26.635   2.9008 -0.7881298 4.176857 
1 1 1    1   43   13 o   22.383   1.8971   60.156   9.9328   65.600   14.105   54.800   13.990   23.213   2.6189   21.122   2.8800 2.091400 3.892739 
1 1 1    1   43   14 o   41.697   2.6728  210.351   26.178  216.800   37.018  203.900   37.025   41.835   3.7883   40.495   3.9211 1.339790 5.452194 
1 1 1    1   43   15 o   50.450   3.0640  310.216   36.328  360.200   51.419  260.400   51.332   53.741   4.0824   45.122   4.8963 8.619164 6.374918 
1 1 1    1   43   16 o   22.999   1.9393   63.651   10.434   65.300   14.750   62.000   14.762   23.079   2.7613   22.455   2.8480 0.6244869 3.966853 
1 1 1    1   43   17 o   13.290   1.6941   21.387   5.1953   13.500   6.9933   31.100   7.7611   10.378   2.7924   15.977   2.1087 -5.598852 3.499128 
1 1 1    1   43   18 o   31.608   2.2521  120.714   16.699  117.900   23.674  123.500   23.559   30.838   3.3024   31.614   3.2000 -0.7755051 4.598436 
1 1 1    1   43   19 o   11.785   1.8293   16.986   4.9257   14.200   6.8334   20.000   7.1067   10.617   2.7150   12.663   2.4654 -2.046040 3.667312 
1 1 1    1   43   20 f   32.635   2.2488  128.887   17.224  144.600   24.408  113.300   24.310   34.237   3.0511   30.076   3.4877 4.161194 4.633877 
1 1 1    1   43   21 o   44.857   2.8574  246.975   30.109  252.500   42.876  241.600   42.291   44.458   4.1314   43.448   4.1734 1.009659 5.872394 
1 1 1    1   43   22 o   21.039   1.9539   53.626   9.5964   44.000   13.520   63.400   13.623   18.642   3.1858   22.687   2.5894 -4.045023 4.105383 
1 1 1    1   43   23 o   22.674   1.9119   62.210   10.141   79.500   14.773   46.800   13.946   25.451   2.4899   19.216   3.1850 6.235447 4.042746 
1 1 1    1   43   24 o   11.194   1.8904   15.458   4.8190   19.200   6.9030   11.900   6.7305   12.362   2.4514   9.7216   2.7875 2.640319 3.712060 
1 1 1    1   43   25 o   30.750   3.2925  119.100   23.536   0.0000   0.0000  119.100   23.536  ?   ?    30.750   3.2925 0.000000 3.292486 
1 1 1    1   43   26 o   27.769   3.0846   96.800   19.884   0.0000   0.0000   96.800   19.884  ?   ?    27.769   3.0846 0.000000 3.084601 
1 1 1    1   43   27 o   4.9368   1.9886   1.4000   3.5628   0.0000   0.0000   1.4000   3.5628  ?   ?    4.9368   1.9886 0.000000 1.988564 
1 1 1    1   43   28 o   16.031   2.7806   32.600   10.144   0.0000   0.0000   32.600   10.144  ?   ?    16.031   2.7806 0.000000 2.780550 
1 1 1    1   43   29 o   4.6592   2.0405  -0.8000   4.2843   0.0000   0.0000  -0.8000   4.2843  ?   ?    4.6592   2.0405 0.000000 2.040528 
1 1 1    1   43   30 o   12.039   2.8101   18.900   7.8435   0.0000   0.0000   18.900   7.8435  ?   ?    12.039   2.8101 0.000000 2.810142 
1 1 1    1   43   31 o   8.1254   2.6598   8.2000   5.8822   0.0000   0.0000   8.2000   5.8822  ?   ?    8.1254   2.6598 0.000000 2.659762 
1 1 1    1   43   32 o   33.641   3.7345  156.500   29.166   0.0000   0.0000  156.500   29.166  ?   ?    33.641   3.7345 0.000000 3.734455 
1 1 1    1   43   33 o   4.3375   1.9085  -0.7000   3.7867   0.0000   0.0000  -0.7000   3.7867  ?   ?    4.3375   1.9085 0.000000 1.908535 
1 1 1    1   43   34 o   4.4874   1.9047   0.4000   3.5111   0.0000   0.0000   0.4000   3.5111  ?   ?    4.4874   1.9047 0.000000 1.904727 
1 1 1    1   43   35 o   7.7876   2.6785   7.7000   5.9588   0.0000   0.0000   7.7000   5.9588  ?   ?    7.7876   2.6785 0.000000 2.678531 
1 1 1    1   43   36 o   8.0024   2.5940   8.4000   5.6006   0.0000   0.0000   8.4000   5.6006  ?   ?    8.0024   2.5940 0.000000 2.594023 
1 1 1    1   43   37 o   6.3413   2.6691   2.2000   6.8020   0.0000   0.0000   2.2000   6.8020  ?   ?    6.3413   2.6691 0.000000 2.669080 
1 1 1    1   44    0 o   35.575   3.5409  156.100   29.069  156.100   29.069  156.100   29.069   35.575   3.5409   35.575   3.5409 -0.000000 0.000000 
1 1 1    1   44    1 o   22.750   1.9256   62.114   10.248   58.400   14.331   66.000   14.660   21.844   2.8459   23.276   2.7184 -1.432215 3.935591 
1 1 1    1   44    2 f   26.726   2.0256   85.691   12.688   93.100   18.016   78.400   17.872   27.673   2.7954   25.299   3.0535 2.374182 4.139808 
1 1 1    1   44    3 o   66.843   3.9299  550.170   61.757  530.300   87.273  570.100   87.402   64.073   5.8321   66.662   5.6044 -2.589661 8.088376 
1 1 1    1   44    4 o   24.639   1.9873   72.865   11.464   82.500   16.242   63.300   16.183   26.063   2.6772   22.678   3.1033 3.384436 4.098475 
1 1 1    1   44    5 o   31.865   2.2418  122.029   16.761  117.800   23.645  126.300   23.762   30.996   3.2803   32.143   3.1720 -1.147379 4.563110 
1 1 1    1   44    6 o   34.501   2.3709  143.252   19.198  144.200   27.126  142.300   27.174   34.280   3.3957   34.040   3.4273 0.2403107 4.824682 
1 1 1    1   44    7 o   27.967   2.0550   93.863   13.476   84.600   18.921  103.400   19.199   26.266   3.1111   29.160   2.8236 -2.894623 4.201354 
1 1 1    1   44    8 o   35.776   2.4142  154.150   20.276  152.300   28.675  156.000   28.675   35.185   3.4976   35.632   3.4512 -0.4471970 4.913687 
1 1 1    1   44    9 o   41.062   2.6096  203.614   25.172  184.200   35.520  223.200   35.677   38.489   3.9649   42.592   3.5806 -4.102707 5.342383 
1 1 1    1   44   10 o   42.921   2.7020  222.891   27.245  193.400   38.492  252.500   38.569   39.291   4.2145   45.261   3.6395 -5.969917 5.568468 
1 1 1    1   44   11 o   35.202   2.3882  149.450   19.734  149.500   27.937  149.400   27.880   34.820   3.4428   34.811   3.4365 0.9010315E-02 4.864441 
1 1 1    1   44   12 o   27.134   2.0277   88.520   12.898  113.900   18.306   63.500   18.176   30.648   2.5527   22.515   3.5353 8.133461 4.360538 
1 1 1    1   44   13 f   18.633   1.8582   41.851   8.0668   42.300   11.400   41.400   11.416   18.534   2.6829   18.321   2.7215 0.2126007 3.821621 
1 1 1    1   44   14 o   29.316   2.1047  103.494   14.473  123.000   20.578   84.400   20.359   31.755   2.7720   26.042   3.3911 5.712503 4.379899 
1 1 1    1   44   15 o   44.679   2.8414  243.381   29.822  263.700   42.142  223.000   42.206   45.869   3.9286   41.900   4.3281 3.969028 5.845211 
1 1 1    1   44   16 o   28.911   2.1686  100.957   14.697  117.600   20.749   84.200   20.820   30.965   2.8703   25.920   3.4904 5.045530 4.519022 
1 1 1    1   44   17 o   15.483   1.8902   29.103   6.7672   26.100   9.9371   31.700   9.2411   14.364   3.0252   16.007   2.5288 -1.643170 3.942956 
1 1 1    1   44   18 o   8.1547   2.1530   8.2874   4.2068   5.3000   5.2407   13.700   7.0542   7.0657   2.5061   10.425   2.8043 -3.359442 3.760931 
1 1 1    1   44   19 o   17.090   1.8400   35.386   7.3081   36.000   10.459   34.800   10.216   17.001   2.6951   16.715   2.6788 0.2863026 3.799919 
1 1 1    1   44   20 o   21.744   1.9445   57.226   9.8784   85.900   14.089   29.500   13.854   26.568   2.2675   15.013   3.8799 11.55487 4.493873 
1 1 1    1   44   21 o   9.6705   1.9236   11.620   4.2380   7.0000   6.0064   16.200   5.9804   7.8521   2.6897   11.374   2.3057 -3.521485 3.542729 
1 1 1    1   44   22 o   29.671   2.2554  107.170   15.684  111.600   22.131  102.700   22.230   29.846   3.1895   28.528   3.3647 1.317883 4.636194 
1 1 1    1   44   23 o   2.8859   1.3145  -1.2492   1.9737   3.2000   2.3706 -11.3000   3.5630   5.2360   1.6867   2.5440   1.2820 2.691941 2.118582 
1 1 1    1   44   24 o   17.353   1.9813   36.746   7.9732   45.200   11.455   28.800   11.105   19.060   2.6140   14.941   3.2408 4.118522 4.163623 
1 1 1    1   44   25 o   54.364   3.1779  370.207   40.618  456.700   58.187  288.000   56.727   59.175   4.1913   45.594   5.3720 13.58055 6.813567 
1 1 1    1   44   26 o   16.006   2.0517   31.488   7.5759   37.700   10.311   24.200   11.168   17.349   2.5968   13.573   3.4708 3.775126 4.334736 
1 1 1    1   44   27 o   9.3449   2.2902   11.091   5.0144   7.2000   6.4364   17.100   7.9981   7.9568   2.7811   11.483   2.9377 -3.526213 4.045332 
1 1 1    1   44   28 o   5.2441   1.8419   2.9744   2.8249   2.3000   3.9238   3.7000   4.0702   5.4214   2.1177   6.0196   2.1990 -0.5982151 3.052886 
1 1 1    1   44   29 o   7.3677   2.4693   6.5000   5.0611   0.0000   0.0000   6.5000   5.0611  ?   ?    7.3677   2.4693 0.000000 2.469306 
1 1 1    1   44   30 o   21.489   2.9207   60.300   14.437   0.0000   0.0000   60.300   14.437  ?   ?    21.489   2.9207 0.000000 2.920712 
1 1 1    1   44   31 o   3.5925   1.7311  -6.3000   4.3666   0.0000   0.0000  -6.3000   4.3666  ?   ?    3.5925   1.7311 0.000000 1.731118 
1 1 1    1   44   32 o   8.8925   3.0688   10.200   7.8247   0.0000   0.0000   10.200   7.8247  ?   ?    8.8925   3.0688 0.000000 3.068765 
1 1 1    1   44   33 o   17.607   3.0020   42.300   12.034   0.0000   0.0000   42.300   12.034  ?   ?    17.607   3.0020 0.000000 3.001982 
1 1 1    1   44   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   44   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45    0 o   25.256   3.0269   79.400   17.365   79.400   17.365   79.400   17.365   25.256   3.0269   25.256   3.0269 -0.000000 0.000000 
1 1 1    1   45    1 o   20.646   1.8442   51.205   8.8964   43.900   12.461   58.800   12.706   18.859   2.8902   21.991   2.4907 -3.131659 3.815308 
1 1 1    1   45    2 o   35.651   2.4063  153.196   20.139  154.100   28.543  152.300   28.419   35.377   3.4611   35.166   3.4675 0.2114677 4.899271 
1 1 1    1   45    3 o   5.5418   1.8659   3.4234   2.8899   3.7000   3.9366   3.1000   4.2559   6.0415   2.1689   5.9281   2.2331 0.1133294 3.113017 
1 1 1    1   45    4 o   9.7395   1.8372   11.673   4.0703   17.900   5.7929   5.6000   5.7204   12.066   2.1101   7.3382   2.6166 4.727361 3.361385 
1 1 1    1   45    5 o   19.218   1.8664   44.456   8.3630   33.900   11.887   54.800   11.767   16.442   3.1767   21.238   2.3878 -4.795845 3.974033 
1 1 1    1   45    6 o   22.994   1.9519   63.585   10.498   59.300   14.821   67.900   14.873   21.948   2.9331   23.572   2.7221 -1.623871 4.001618 
1 1 1    1   45    7 o   17.866   1.8335   38.468   7.6256   41.600   11.133   35.700   10.466   18.398   2.6382   17.003   2.6968 1.395180 3.772608 
1 1 1    1   45    8 o   6.1500   1.8683   4.5378   2.9526   13.800   4.3764  -3.2000   4.0001   10.612   1.8115   3.9597   1.8285 6.652291 2.573892 
1 1 1    1   45    9 o   35.938   2.4151  156.028   20.376  158.600   28.943  153.500   28.691   35.812   3.4659   35.213   3.4968 0.5994797 4.923387 
1 1 1    1   45   10 o   15.763   1.8097   30.034   6.6139   25.300   9.2897   34.900   9.4185   14.204   2.8684   16.862   2.4360 -2.657978 3.763207 
1 1 1    1   45   11 o   36.642   2.3882  162.320   20.551  197.100   29.161  128.000   28.968   40.081   3.1053   31.877   3.9317 8.203863 5.010100 
1 1 1    1   45   12 o   37.406   2.5124  169.688   22.063  177.000   31.122  162.300   31.283   37.731   3.5343   36.014   3.7328 1.716827 5.140522 
1 1 1    1   45   13 o   48.667   3.0407  290.316   34.769  276.000   48.944  304.900   49.400   46.437   4.5207   48.990   4.3143 -2.552830 6.249012 
1 1 1    1   45   14 o   46.396   2.9238  263.469   31.868  221.100   44.973  306.200   45.165   41.359   4.6878   49.364   3.9065 -8.005939 6.102125 
1 1 1    1   45   15 o   32.430   2.3173  127.497   17.629  129.300   24.954  125.700   24.909   32.225   3.3273   31.746   3.3745 0.4789467 4.739025 
1 1 1    1   45   16 o   13.991   1.9012   23.882   6.1184   32.200   8.8007   16.100   8.5120   16.158   2.3776   11.264   3.1018 4.894789 3.908218 
1 1 1    1   45   17 o   38.553   2.6017  181.572   23.547  201.800   33.323  161.400   33.277   40.086   3.5574   35.514   4.0400 4.571415 5.382961 
1 1 1    1   45   18 o   39.989   2.6911  196.031   25.264  189.400   35.812  202.600   35.646   38.467   4.0010   39.924   3.8281 -1.456299 5.537369 
1 1 1    1   45   19 o   19.682   1.9412   46.997   8.9044   35.600   12.537   58.600   12.650   16.673   3.3010   21.820   2.5001 -5.147045 4.140903 
1 1 1    1   45   20 o   10.824   1.8597   14.448   4.5820   24.300   6.8811   6.6000   6.1417   14.037   2.1440   7.7413   2.7161 6.295691 3.460303 
1 1 1    1   45   21 o   11.914   2.1192   17.620   5.7436   24.300   8.0238   10.600   8.2254   13.924   2.5337   9.4336   3.1480 4.490509 4.040966 
1 1 1    1   45   22 o   37.502   2.4022  171.826   21.161  123.000   29.483  223.700   30.390   30.669   4.1800   42.383   3.0570 -11.71443 5.178620 
1 1 1    1   45   23 o   38.924   2.6759  186.894   24.446  180.500   34.423  193.400   34.722   37.320   3.9670   38.741   3.8464 -1.421249 5.525551 
1 1 1    1   45   24 o   25.838   3.0931   84.300   18.497   0.0000   0.0000   84.300   18.497  ?   ?    25.838   3.0931 0.000000 3.093138 
1 1 1    1   45   25 o   9.1367   2.8701   10.400   6.8990   0.0000   0.0000   10.400   6.8990  ?   ?    9.1367   2.8701 0.000000 2.870093 
1 1 1    1   45   26 o   16.966   3.0673   37.300   11.836   0.0000   0.0000   37.300   11.836  ?   ?    16.966   3.0673 0.000000 3.067286 
1 1 1    1   45   27 o   3.6031   1.6569  -2.3000   3.2359   0.0000   0.0000  -2.3000   3.2359  ?   ?    3.6031   1.6569 0.000000 1.656898 
1 1 1    1   45   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   45   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46    0 o   44.880   4.1527  250.400   43.142  250.400   43.142  250.400   43.142   44.880   4.1527   44.880   4.1527 0.000000 0.000000 
1 1 1    1   46    1 o   13.073   1.6896   20.697   5.0936   36.300   7.4645   7.1000   6.9680   17.341   1.8516   8.1569   2.8901 9.183706 3.432337 
1 1 1    1   46    2 o   39.556   2.5804  189.588   23.970  200.200   33.918  179.000   33.880   40.170   3.6145   37.849   3.8441 2.321480 5.276541 
1 1 1    1   46    3 o   39.381   2.5761  187.941   23.824  183.900   33.657  192.000   33.728   38.405   3.7595   39.292   3.6779 -0.8869553 5.259316 
1 1 1    1   46    4 o   7.4006   1.9920   6.7759   3.5580   2.4000   5.1746   10.700   4.9002   6.0725   2.4133   9.2583   2.2610 -3.185760 3.306925 
1 1 1    1   46    5 o   49.055   3.0402  294.250   35.043  314.000   49.558  274.500   49.558   49.883   4.2477   46.377   4.5855 3.506443 6.250577 
1 1 1    1   46    6 o   20.271   1.9253   49.574   9.1053   50.700   12.747   48.400   13.011   20.290   2.7298   19.774   2.8702 0.5156898 3.961042 
1 1 1    1   46    7 o   15.530   1.8665   29.228   6.7076   35.400   9.7129   23.600   9.2743   16.958   2.5007   13.678   2.9576 3.279743 3.873048 
1 1 1    1   46    8 o   31.566   2.2633  120.420   16.758  140.300   23.809  100.900   23.592   33.795   3.0152   28.376   3.6021 5.418898 4.697494 
1 1 1    1   46    9 o   37.585   2.5673  171.601   22.649  171.100   32.068  172.100   31.993   36.970   3.7240   37.091   3.7022 -0.1207695 5.251116 
1 1 1    1   46   10 o   25.269   2.0759   77.124   12.277   88.400   17.307   65.700   17.420   26.841   2.7704   22.906   3.3172 3.935646 4.321873 
1 1 1    1   46   11 o   21.232   2.0113   54.548   9.9637   47.700   14.194   61.200   13.990   19.481   3.1963   22.291   2.7138 -2.809563 4.192967 
1 1 1    1   46   12 o   11.351   2.3016   16.083   5.9581   23.600   9.6173   11.400   7.5902   13.620   3.0643   9.6489   3.0071 3.971513 4.293349 
1 1 1    1   46   13 o   15.438   2.7971   29.900   9.8214   0.0000   0.0000   29.900   9.8214  ?   ?    15.438   2.7971 0.000000 2.797063 
1 1 1    1   46   14 o   12.306   2.0794   18.697   5.8274   7.2000   8.4767   29.000   8.0243   8.5198   3.1629   15.339   2.2851 -6.819433 3.901995 
1 1 1    1   46   15 o   35.074   2.4197  149.828   19.918  137.700   27.919  162.400   28.425   32.988   3.6450   36.013   3.3822 -3.024410 4.972425 
1 1 1    1   46   16 o   29.124   2.2259  103.047   15.192  103.800   21.528  102.300   21.443   28.799   3.2208   28.581   3.2340 0.2178211 4.564252 
1 1 1    1   46   17 o   18.826   2.8277   44.300   12.182   0.0000   0.0000   44.300   12.182  ?   ?    18.826   2.8277 0.000000 2.827668 
1 1 1    1   46   18 o   29.089   3.2868  106.300   22.181   0.0000   0.0000  106.300   22.181  ?   ?    29.089   3.2868 0.000000 3.286810 
1 1 1    1   46   19 f   31.739   3.4816  127.500   25.665   0.0000   0.0000  127.500   25.665  ?   ?    31.739   3.4816 0.000000 3.481556 
1 1 1    1   46   20 o   21.915   2.9734   60.300   14.989   0.0000   0.0000   60.300   14.989  ?   ?    21.915   2.9734 0.000000 2.973394 
1 1 1    1   46   21 o   10.630   2.6803   14.400   6.7263   0.0000   0.0000   14.400   6.7263  ?   ?    10.630   2.6803 0.000000 2.680331 
1 1 1    1   46   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   46   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   47   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   48   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   49   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   50   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   51   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   54   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   55    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   55    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   55    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    1   55    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    2 o   16.939   1.7056   34.897   6.6636   34.897   6.6636   34.897   6.6636   16.939   1.7056   16.939   1.7056 0.000000 0.000000 
1 1 1    2    0    3 o   36.561   2.4118  159.900   20.614  159.900   20.614  159.900   20.614   36.561   2.4118   36.561   2.4118 0.000000 0.000000 
1 1 1    2    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0    7 o   16.270   1.5065   32.054   5.6741   32.054   5.6741   32.054   5.6741   16.270   1.5065   16.270   1.5065 0.000000 0.000000 
1 1 1    2    0    8 o  192.665   14.910  4501.30  668.990  4501.30  668.990  4501.30  668.990  192.665   14.910  192.665   14.910 -0.000000 0.000000 
1 1 1    2    0    9 o  172.547   9.2481  3560.46  374.336  3560.46  374.336  3560.46  374.336  172.547   9.2481  172.547   9.2481 0.000000 0.000000 
1 1 1    2    0   10 o  139.630   7.3432  2327.08  240.587  2327.08  240.587  2327.08  240.587  139.630   7.3432  139.630   7.3432 -0.000000 0.000000 
1 1 1    2    0   11 o  216.871   11.723  5632.21  596.333  5632.21  596.333  5632.21  596.333  216.871   11.723  216.871   11.723 0.000000 0.000000 
1 1 1    2    0   12 o  181.041   9.7045  3913.86  412.147  3913.86  412.147  3913.86  412.147  181.041   9.7045  181.041   9.7045 0.000000 0.000000 
1 1 1    2    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   14 o  319.951   24.795 12463.20  1847.46 12463.20  1847.46 12463.20  1847.46  319.951   24.795  319.951   24.795 -0.000000 0.000000 
1 1 1    2    0   15 o   55.164   3.1863  362.949   41.189  362.949   41.189  362.949   41.189   55.164   3.1863   55.164   3.1863 0.000000 0.000000 
1 1 1    2    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   17 o   52.281   3.0109  325.989   36.888  325.989   36.888  325.989   36.888   52.281   3.0109   52.281   3.0109 0.000000 0.000000 
1 1 1    2    0   18 o  105.105   5.7315  1317.18  141.284  1317.18  141.284  1317.18  141.284  105.105   5.7315  105.105   5.7315 -0.000000 0.000000 
1 1 1    2    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   21 o   86.635   4.7521  895.178   96.548  895.178   96.548  895.178   96.548   86.635   4.7521   86.635   4.7521 0.000000 0.000000 
1 1 1    2    0   22 o  152.329   8.0184  2772.99  286.601  2772.99  286.601  2772.99  286.601  152.329   8.0184  152.329   8.0184 0.000000 0.000000 
1 1 1    2    0   23 o  157.670   8.4562  2974.63  312.767  2974.63  312.767  2974.63  312.767  157.670   8.4562  157.670   8.4562 -0.000000 0.000000 
1 1 1    2    0   24 o   99.911   5.4823  1191.84  128.452  1191.84  128.452  1191.84  128.452   99.911   5.4823   99.911   5.4823 0.000000 0.000000 
1 1 1    2    0   25 o   60.581   3.4169  437.854   48.524  437.854   48.524  437.854   48.524   60.581   3.4169   60.581   3.4169 0.000000 0.000000 
1 1 1    2    0   26 o   27.314   2.0213   89.552   12.872   89.552   12.872   89.552   12.872   27.314   2.0213   27.314   2.0213 0.000000 0.000000 
1 1 1    2    0   27 o   35.237   2.3702  148.656   19.517  148.656   19.517  148.656   19.517   35.237   2.3702   35.237   2.3702 -0.000000 0.000000 
1 1 1    2    0   28 o  135.538   7.1316  2197.75  226.807  2197.75  226.807  2197.75  226.807  135.538   7.1316  135.538   7.1316 0.000000 0.000000 
1 1 1    2    0   29 o  155.803   8.2599  2911.42  301.937  2911.42  301.937  2911.42  301.937  155.803   8.2599  155.803   8.2599 0.000000 0.000000 
1 1 1    2    0   30 o  151.281   8.1616  2747.58  289.618  2747.58  289.618  2747.58  289.618  151.281   8.1616  151.281   8.1616 -0.000000 0.000000 
1 1 1    2    0   31 o   59.495   3.4166  422.730   47.637  422.730   47.637  422.730   47.637   59.495   3.4166   59.495   3.4166 -0.000000 0.000000 
1 1 1    2    0   32 o   49.309   3.1067  290.954   35.844  290.954   35.844  290.954   35.844   49.309   3.1067   49.309   3.1067 0.000000 0.000000 
1 1 1    2    0   33 o  193.779   10.559  4580.41  479.880  4580.41  479.880  4580.41  479.880  193.779   10.559  193.779   10.559 0.000000 0.000000 
1 1 1    2    0   34 o   4.3391   1.9646   3.2264   2.1692   3.2264   2.1692   3.2264   2.1692   4.3391   1.9646   4.3391   1.9646 0.000000 0.000000 
1 1 1    2    0   35 o   45.491   2.8776  247.944   30.628  247.944   30.628  247.944   30.628   45.491   2.8776   45.491   2.8776 -0.000000 0.000000 
1 1 1    2    0   36 o   12.547   1.6621   19.563   4.6836   19.563   4.6836   19.563   4.6836   12.547   1.6621   12.547   1.6621 0.000000 0.000000 
1 1 1    2    0   37 o   10.773   1.8050   14.825   4.2044   14.825   4.2044   14.825   4.2044   10.773   1.8050   10.773   1.8050 0.000000 0.000000 
1 1 1    2    0   38 o   38.778   2.5316  180.445   22.955  180.445   22.955  180.445   22.955   38.778   2.5316   38.778   2.5316 0.000000 0.000000 
1 1 1    2    0   39 f   11.917   1.7758   17.878   4.6703   17.878   4.6703   17.878   4.6703   11.917   1.7758   11.917   1.7758 -0.000000 0.000000 
1 1 1    2    0   40 o   45.090   2.8234  244.229   29.792  244.229   29.792  244.229   29.792   45.090   2.8234   45.090   2.8234 0.000000 0.000000 
1 1 1    2    0   41 o   67.952   3.7681  556.687   60.037  556.687   60.037  556.687   60.037   67.952   3.7681   67.952   3.7681 -0.000000 0.000000 
1 1 1    2    0   42 o   12.101   1.8247   18.482   4.8638   18.482   4.8638   18.482   4.8638   12.101   1.8247   12.101   1.8247 -0.000000 0.000000 
1 1 1    2    0   43 o   72.461   4.0839  638.935   69.370  638.935   69.370  638.935   69.370   72.461   4.0839   72.461   4.0839 0.000000 0.000000 
1 1 1    2    0   44 o   22.670   1.9484   62.363   10.253   62.363   10.253   62.363   10.253   22.670   1.9484   22.670   1.9484 0.000000 0.000000 
1 1 1    2    0   45 o   21.866   1.9430   58.150   9.8503   58.150   9.8503   58.150   9.8503   21.866   1.9430   21.866   1.9430 -0.000000 0.000000 
1 1 1    2    0   46 o   12.484   3.1328   21.800   7.9882   21.800   7.9882   21.800   7.9882   12.484   3.1328   12.484   3.1328 0.000000 0.000000 
1 1 1    2    0   47 o   29.673   2.1915  106.692   15.163  106.692   15.163  106.692   15.163   29.673   2.1915   29.673   2.1915 0.000000 0.000000 
1 1 1    2    0   48 o   21.588   1.9653   56.849   9.8277   56.849   9.8277   56.849   9.8277   21.588   1.9653   21.588   1.9653 0.000000 0.000000 
1 1 1    2    0   49 o   18.974   1.9383   44.233   8.4768   44.233   8.4768   44.233   8.4768   18.974   1.9383   18.974   1.9383 0.000000 0.000000 
1 1 1    2    0   50 o   4.2197   2.1922   3.1119   2.8347   3.1119   2.8347   3.1119   2.8347   4.2197   2.1922   4.2197   2.1922 -0.000000 0.000000 
1 1 1    2    0   51 o   3.0908   1.8209   1.3112   2.2647   1.3112   2.2647   1.3112   2.2647   3.0908   1.8209   3.0908   1.8209 0.000000 0.000000 
1 1 1    2    0   52 o   3.2977   2.0925   0.5000   3.5372   0.5000   3.5372   0.5000   3.5372   3.2977   2.0925   3.2977   2.0925 0.000000 0.000000 
1 1 1    2    0   53 o   27.969   3.3034  100.400   21.018  100.400   21.018  100.400   21.018   27.969   3.3034   27.969   3.3034 -0.000000 0.000000 
1 1 1    2    0   54 f   9.4139   3.4455   14.500   7.0669   14.500   7.0669   14.500   7.0669   9.4139   3.4455   9.4139   3.4455 -0.000000 0.000000 
1 1 1    2    0   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    0   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1    0 o   31.913   3.2153  123.900   23.666  123.900   23.666  123.900   23.666   31.913   3.2153   31.913   3.2153 -0.000000 0.000000 
1 1 1    2    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1    3 o  203.147   15.503  4959.20  738.059  4959.20  738.059   0.0000   0.0000  203.147   15.503  ?   ?  0.000000 15.50283 
1 1 1    2    1    4 o  184.335   14.028  4074.50  606.022  4074.50  606.022   0.0000   0.0000  184.335   14.028  ?   ?  0.000000 14.02777 
1 1 1    2    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1    6 o  163.749   12.476  3212.60  478.776  3212.60  478.776   0.0000   0.0000  163.749   12.476  ?   ?  0.000000 12.47587 
1 1 1    2    1    7 o  179.250   9.6381  3828.79  406.456  4078.30  574.655  3579.00  574.976  184.270   13.296  172.334   14.257 11.93575 19.49480 
1 1 1    2    1    8 o  176.904   13.537  3774.60  561.201  3774.60  561.201   0.0000   0.0000  176.904   13.537  ?   ?  0.000000 13.53712 
1 1 1    2    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   10 o  165.274   8.8329  3259.16  343.477  3293.90  485.711  3224.40  485.787  165.288   12.538  163.485   12.683 1.802322 17.83403 
1 1 1    2    1   11 o   51.272   3.0426  311.704   36.673  305.100   51.880  318.300   51.846   50.606   4.3848   51.707   4.2848 -1.101212 6.130766 
1 1 1    2    1   12 o  209.473   15.965  5288.00  783.735  5288.00  783.735   0.0000   0.0000  209.473   15.965  ?   ?  0.000000 15.96477 
1 1 1    2    1   13 o  340.942   26.415 14254.50  2110.04 14254.50  2110.04   0.0000   0.0000  340.942   26.415  ?   ?  0.000000 26.41507 
1 1 1    2    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   15 o  164.654   8.7477  3221.24  338.896  3281.30  479.316  3161.20  479.225  165.677   12.340  162.559   12.582 3.118469 17.62376 
1 1 1    2    1   16 o  168.769   8.9718  3385.70  356.263  3433.50  503.858  3337.90  503.805  169.396   12.688  166.975   12.877 2.421478 18.07799 
1 1 1    2    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   19 o  313.061   16.680 11838.89  1228.65 12182.30  1738.09 11495.90  1737.04  314.082   23.608  304.635   24.351 9.446838 33.91591 
1 1 1    2    1   20 o  174.986   9.3252  3652.94  383.932  3601.30  542.916  3704.60  543.010  172.795   13.411  175.323   13.213 -2.528336 18.82659 
1 1 1    2    1   21 o   91.307   4.9901  989.797  107.184  944.000  151.577  1035.60  151.585   88.879   7.2863   93.168   6.9399 -4.288857 10.06248 
1 1 1    2    1   22 o  118.996   6.4153  1685.10  179.600  1682.90  253.924  1687.30  254.061  118.439   9.1501  118.597   9.1425 -0.1572952 12.93487 
1 1 1    2    1   23 o   63.635   3.5962  480.484   53.817  452.700   76.086  508.300   76.130   61.579   5.2837   65.315   4.9735 -3.736053 7.256239 
1 1 1    2    1   24 o  220.975   11.831  5903.36  615.126  5580.90  869.804  6226.00  870.037  211.899   17.541  224.496   16.528 -12.59731 24.10131 
1 1 1    2    1   25 o  208.249   11.150  5239.72  546.334  4984.40  772.506  5495.20  772.760  200.429   16.468  211.007   15.620 -10.57794 22.69744 
1 1 1    2    1   26 o  140.314   7.4569  2353.82  246.186  2201.40  348.017  2506.50  348.301  134.680   11.040  144.006   10.311 -9.325653 15.10613 
1 1 1    2    1   27 o  199.754   10.598  4822.12  498.094  4371.20  704.233  5273.50  704.589  187.374   16.072  206.877   14.515 -19.50209 21.65630 
1 1 1    2    1   28 o   20.350   1.7941   49.304   8.5328   40.800   12.070   57.800   12.064   18.354   2.8797   21.987   2.3606 -3.633350 3.723574 
1 1 1    2    1   29 o   59.364   3.3751  418.467   47.117  389.600   66.596  447.400   66.672   57.073   4.9917   61.239   4.6452 -4.165699 6.818686 
1 1 1    2    1   30 o  173.300   8.9573  3625.45  365.303  3173.50  516.246  4078.70  516.988  159.695   13.826  182.239   12.082 -22.54436 18.36163 
1 1 1    2    1   31 o   29.169   2.0838  101.096   14.259   95.800   20.158  106.400   20.172   28.282   3.0676   29.844   2.8990 -1.561903 4.220658 
1 1 1    2    1   32 o   19.272   1.8090   44.289   8.1360   34.700   11.530   53.800   11.483   16.866   3.0052   21.198   2.3325 -4.332865 3.804146 
1 1 1    2    1   33 o   28.473   2.0527   96.391   13.709   89.300   19.375  103.500   19.399   27.276   3.0609   29.421   2.8271 -2.145340 4.166732 
1 1 1    2    1   34 o   85.375   4.7158  873.874   94.703  844.200  133.871  903.600  133.988   83.201   6.8755   86.188   6.6345 -2.987724 9.554550 
1 1 1    2    1   35 o   53.835   3.1339  345.670   39.666  326.200   56.054  365.200   56.139   51.982   4.6146   55.088   4.3511 -3.106148 6.342406 
1 1 1    2    1   36 o   81.331   4.5639  797.001   87.296  801.900  123.439  792.100  123.470   80.744   6.5300   80.225   6.5754 0.5195923 9.267002 
1 1 1    2    1   37 o   61.549   3.5551  454.488   51.450  448.300   72.689  460.700   72.833   60.614   5.1265   61.476   5.0621 -0.8622665 7.204608 
1 1 1    2    1   38 o   45.382   2.7129  246.065   28.939  221.100   40.856  271.200   40.995   42.679   4.1047   47.421   3.6900 -4.742840 5.519474 
1 1 1    2    1   39 o   11.028   1.6664   14.732   4.2041   12.300   5.9854   17.100   5.9064   9.9750   2.5356   11.811   2.1986 -1.836035 3.356088 
1 1 1    2    1   40 o   49.941   3.0055  299.389   35.279  318.600   49.906  280.200   49.878   51.146   4.1685   47.835   4.4675 3.311264 6.110201 
1 1 1    2    1   41 f   60.786   3.5710  447.165   51.032  461.500   72.132  432.800   72.208   61.025   5.0510   58.981   5.2391 2.044434 7.277427 
1 1 1    2    1   42 o   42.872   2.6904  221.135   27.099  225.900   38.382  216.400   38.265   42.931   3.8262   41.980   3.9048 0.9507256 5.466976 
1 1 1    2    1   43 o   16.644   1.6733   33.266   6.4872   41.500   9.2217   25.200   9.1277   18.518   2.1488   14.228   2.8165 4.290667 3.542615 
1 1 1    2    1   44 o   11.669   1.7174   16.562   4.5908   15.400   6.6828   17.600   6.3174   11.089   2.5977   11.912   2.3294 -0.8233185 3.489155 
1 1 1    2    1   45 o   28.135   2.1183   95.488   13.970  105.500   19.719   85.400   19.795   29.325   2.8850   26.213   3.2690 3.111502 4.359989 
1 1 1    2    1   46 o   18.332   1.7668   40.526   7.5535   45.400   10.709   35.700   10.656   19.250   2.4087   16.936   2.7594 2.313612 3.662832 
1 1 1    2    1   47 o   16.519   1.8739   33.100   7.1803   43.400   10.014   22.200   10.301   18.831   2.2997   13.158   3.3166 5.673134 4.035882 
1 1 1    2    1   48 o   34.427   2.2994  143.914   18.586  166.500   26.364  121.600   26.205   36.656   3.0742   30.987   3.6514 5.668961 4.773173 
1 1 1    2    1   49 o   13.354   1.6760   21.692   5.1685   27.000   7.4244   16.700   7.1995   14.784   2.1932   11.451   2.7055 3.333450 3.482823 
1 1 1    2    1   50 o   22.667   1.8900   62.443   10.024   68.500   14.305   56.600   14.050   23.449   2.6288   21.177   2.8847 2.271320 3.902831 
1 1 1    2    1   51 o   7.8569   1.8130   7.7537   3.2952   14.100   4.8007   2.1000   4.5312   10.614   1.9885   5.6308   2.2516 4.982942 3.003983 
1 1 1    2    1   52 o   20.052   2.7648   51.300   12.743   51.300   12.743   0.0000   0.0000   20.052   2.7648  ?   ?  0.000000 2.764799 
1 1 1    2    1   53 o   19.381   2.7477   48.100   12.223   48.100   12.223   0.0000   0.0000   19.381   2.7477  ?   ?  0.000000 2.747682 
1 1 1    2    1   54 o   9.6739   2.5293   12.200   5.8428   12.200   5.8428   0.0000   0.0000   9.6739   2.5293  ?   ?  0.000000 2.529262 
1 1 1    2    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    1 o  180.085   13.742  3887.30  579.965  3887.30  579.965   0.0000   0.0000  180.085   13.742  ?   ?  0.000000 13.74209 
1 1 1    2    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    4 o  140.610   7.6358  2348.08  252.581  2449.00  356.805  2246.70  357.603  143.226   10.626  137.071   11.145 6.155380 15.39832 
1 1 1    2    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2    7 o  167.384   8.9853  3336.79  353.849  3433.00  500.178  3240.40  500.659  169.087   12.618  164.159   13.023 4.927917 18.13286 
1 1 1    2    2    8 f  107.202   5.7890  1364.99  146.001  1449.80  206.488  1280.20  206.464  110.204   7.9890  103.438   8.5289 6.765892 11.68614 
1 1 1    2    2    9 o  190.875   10.201  4360.31  458.117  4568.10  647.860  4152.50  647.891  194.170   14.229  184.824   14.974 9.346252 20.65616 
1 1 1    2    2   10 o  215.513   11.719  5572.29  594.159  6007.70  839.896  5136.10  840.640  222.263   16.112  204.860   17.547 17.40295 23.82225 
1 1 1    2    2   11 o  300.680   23.513 11180.80  1656.13   0.0000   0.0000 11180.80  1656.13  ?   ?   300.680   23.513 0.000000 23.51252 
1 1 1    2    2   12 o  231.814   12.977  6424.95  707.517  7227.50  999.495  5618.90  1001.67  244.729   17.409  214.866   19.971 29.86263 26.49343 
1 1 1    2    2   13 o  183.072   9.7366  3985.67  419.400  4096.40  593.075  3874.90  593.166  184.969   13.675  179.795   14.084 5.174042 19.63086 
1 1 1    2    2   14 o  166.857   8.8419  3307.71  347.135  3536.60  490.965  3078.90  490.881  172.087   12.160  160.357   13.078 11.73047 17.85765 
1 1 1    2    2   15 f  244.466   12.979  7130.97  746.553  7182.70  1055.59  7079.20  1055.98  244.061   18.452  242.245   18.602 1.816071 26.20196 
1 1 1    2    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   17 o  281.386   15.128  9490.88  1001.52  9633.90  1413.74  9346.80  1419.01  281.403   21.437  276.989   21.873 4.414063 30.62616 
1 1 1    2    2   18 o  228.818   12.167  6255.31  655.042  6270.90  926.207  6239.70  926.533  227.732   17.354  227.147   17.406 0.5857544 24.57944 
1 1 1    2    2   19 o   80.525   4.4526  769.051   84.336  804.500  119.267  733.600  119.270   82.198   6.1901   78.435   6.4982 3.762947 8.974616 
1 1 1    2    2   20 o   88.038   4.8309  919.752  100.046  926.000  141.463  913.500  141.510   88.113   6.8528   87.506   6.9045 0.6072083 9.727935 
1 1 1    2    2   21 o   58.634   3.3882  407.754   46.712  415.400   66.044  400.100   66.077   59.052   4.7772   57.936   4.8752 1.115986 6.825595 
1 1 1    2    2   22 o  127.099   6.7780  1923.49  202.692  1849.90  286.526  1997.20  286.773  124.049   9.8630  129.008   9.4801 -4.958275 13.68032 
1 1 1    2    2   23 o   60.917   3.4678  440.285   49.677  420.800   70.226  459.800   70.281   59.382   5.0564   62.119   4.8293 -2.737198 6.992063 
1 1 1    2    2   24 o   59.158   3.4076  415.298   47.400  413.500   66.996  417.100   67.071   58.874   4.8625   59.134   4.8458 -0.2600212 6.864836 
1 1 1    2    2   25 o  294.400   16.113 10702.51  1115.87 10624.30  1577.69 10780.80  1578.47  286.358   23.540  288.665   23.357 -2.306946 33.16175 
1 1 1    2    2   26 o   28.593   2.0577   97.098   13.800   85.100   19.515  109.100   19.518   26.637   3.1644   30.252   2.7628 -3.615124 4.200763 
1 1 1    2    2   27 o  135.949   7.0529  2208.14  225.637  1960.70  318.868  2456.30  319.331  127.087   10.726  142.731   9.5294 -15.64339 14.34744 
1 1 1    2    2   28 f   67.168   3.6632  535.680   57.882  458.500   81.793  613.100   81.921   61.865   5.6618   71.729   4.8654 -9.863667 7.465098 
1 1 1    2    2   29 o  233.828   12.178  6683.14  670.086  5854.20  946.986  7514.40  948.306  213.701   18.963  244.554   16.518 -30.85320 25.14868 
1 1 1    2    2   30 o   5.5070   1.4588   3.7098   1.9272   1.9000   2.6630   5.7000   2.7926   4.7016   1.7674   6.8151   1.7317 -2.113481 2.474360 
1 1 1    2    2   31 o   87.526   4.7987  913.269   98.802  864.400  139.683  962.200  139.770   84.670   7.0505   89.457   6.6645 -4.786888 9.701783 
1 1 1    2    2   32 o   52.538   3.3176  328.483   40.947  249.500   57.994  407.000   57.822   45.396   5.5239   58.375   4.2233 -12.97889 6.953383 
1 1 1    2    2   33 o   74.886   4.1569  669.260   73.219  637.100  103.482  701.500  103.612   72.613   6.0915   76.298   5.7941 -3.685471 8.407005 
1 1 1    2    2   34 o   99.142   5.4670  1183.60  127.493  1159.90  180.290  1207.30  180.314   97.107   7.9318   99.165   7.7622 -2.058556 11.09798 
1 1 1    2    2   35 o   90.276   4.9575  981.682  105.276  1080.50  148.934  883.000  148.832   93.942   6.7590   84.508   7.5373 9.433983 10.12403 
1 1 1    2    2   36 o   58.768   3.4148  413.146   47.184  398.200   66.719  428.100   66.738   57.272   4.9830   59.457   4.7942 -2.185341 6.914801 
1 1 1    2    2   37 o   6.8407   1.5860   5.7618   2.5120   7.1000   3.6058   4.5000   3.5014   7.6009   1.9868   6.2847   2.0518 1.316187 2.856104 
1 1 1    2    2   38 o   29.571   2.1185  104.304   14.695   96.800   20.787  111.800   20.777   28.301   3.1648   30.487   2.9219 -2.186180 4.307313 
1 1 1    2    2   39 o   56.923   3.3245  389.328   44.493  413.300   62.950  365.400   62.893   58.196   4.6188   54.573   4.9339 3.623131 6.758407 
1 1 1    2    2   40 o   52.855   3.1590  335.806   39.246  348.300   55.490  323.300   55.516   53.378   4.4428   51.338   4.6292 2.039288 6.416262 
1 1 1    2    2   41 o   27.216   2.0281   88.547   12.940   87.000   18.283   90.100   18.318   26.795   2.9378   27.285   2.8870 -0.4899864 4.118884 
1 1 1    2    2   42 o   26.953   2.0335   87.003   12.847   94.500   18.166   79.500   18.173   27.929   2.7918   25.521   3.0776 2.408258 4.155202 
1 1 1    2    2   43 o   32.913   2.2780  130.215   17.595  136.100   24.853  124.300   24.914   33.372   3.1927   31.819   3.3670 1.552851 4.640090 
1 1 1    2    2   44 o   24.704   1.9450   73.344   11.255   70.300   15.775   76.500   16.061   23.945   2.8458   25.016   2.7652 -1.071266 3.967954 
1 1 1    2    2   45 o   29.481   2.1315  104.828   14.739  109.300   20.896  100.400   20.792   29.802   3.0106   28.500   3.1417 1.301987 4.351304 
1 1 1    2    2   46 o   6.4488   1.7012   5.1445   2.6280   6.0000   3.7286   4.3000   3.7045   7.0215   2.0921   6.2111   2.1124 0.8103013 2.973065 
1 1 1    2    2   47 o   14.219   1.7236   24.512   5.6689   26.800   7.9958   22.200   8.0386   14.715   2.3826   13.295   2.6535 1.419679 3.566214 
1 1 1    2    2   48 o   10.149   1.7895   12.690   4.1321   11.800   5.5469   13.800   6.1936   9.6816   2.4301   10.456   2.5349 -0.7743378 3.511505 
1 1 1    2    2   49 o   14.864   1.7242   26.843   5.9395   33.400   8.4370   20.400   8.3628   16.462   2.2277   12.632   2.8690 3.830159 3.632328 
1 1 1    2    2   50 o   31.207   2.0893  118.683   15.307  146.200   21.816   92.000   21.483   34.295   2.7161   26.720   3.4881 7.574795 4.420888 
1 1 1    2    2   51 o   10.540   1.5754   13.635   3.8006   21.700   5.5679   6.6000   5.2005   13.278   1.8240   7.4734   2.5031 5.804682 3.097138 
1 1 1    2    2   52 o   22.786   1.9739   63.759   10.516   74.500   14.865   53.000   14.878   24.295   2.6333   20.118   3.2419 4.176668 4.176613 
1 1 1    2    2   53 o   24.535   2.9748   77.600   16.883   77.600   16.883   0.0000   0.0000   24.535   2.9748  ?   ?  0.000000 2.974792 
1 1 1    2    2   54 f   15.305   2.7432   30.500   9.5503   30.500   9.5503   0.0000   0.0000   15.305   2.7432  ?   ?  0.000000 2.743248 
1 1 1    2    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3    0 o  122.245   9.5332  1800.30  271.340  1800.30  271.340  1800.30  271.340  122.245   9.5332  122.245   9.5332 0.000000 0.000000 
1 1 1    2    3    1 o   62.624   3.5561  464.827   52.371  482.300   74.111  447.400   74.015   63.681   4.9677   61.300   5.1613 2.381344 7.163620 
1 1 1    2    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3    3 o  158.545   8.3668  2986.51  312.129  3161.90  441.650  2811.50  441.184  162.696   11.571  153.248   12.295 9.447800 16.88386 
1 1 1    2    3    4 o  213.477   16.316  5485.80  816.278  5485.80  816.278   0.0000   0.0000  213.477   16.316  ?   ?  0.000000 16.31646 
1 1 1    2    3    5 o   62.622   3.5131  464.790   51.739  431.000   73.052  498.800   73.290   60.149   5.1942   64.776   4.8261 -4.626167 7.090225 
1 1 1    2    3    6 o  205.853   15.719  5112.30  758.306  5112.30  758.306   0.0000   0.0000  205.853   15.719  ?   ?  0.000000 15.71882 
1 1 1    2    3    7 o   71.579   4.0778  607.693   68.639  629.300   96.864  585.900   97.279   72.693   5.6883   70.098   5.9326 2.594933 8.219087 
1 1 1    2    3    8 o  151.750   8.0701  2743.77  288.141  2655.90  407.300  2831.80  407.687  148.549   11.706  153.508   11.327 -4.959259 16.28910 
1 1 1    2    3    9 o  108.724   5.8780  1404.69  150.349  1573.40  212.633  1236.00  212.620  114.806   7.8913  101.512   8.9621 13.29404 11.94116 
1 1 1    2    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   12 o  355.013   27.710 15573.60  2304.59 15573.60  2304.59   0.0000   0.0000  355.013   27.710  ?   ?  0.000000 27.71037 
1 1 1    2    3   13 o  274.653   14.652  9017.72  946.816  9562.60  1338.79  8472.50  1339.21  281.291   20.292  264.261   21.651 17.02975 29.67377 
1 1 1    2    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   15 o  168.430   8.9684  3371.51  355.410  3453.30  502.586  3289.70  502.666  169.930   12.615  165.778   12.943 4.152023 18.07404 
1 1 1    2    3   16 o  142.038   7.5900  2395.65  253.650  2438.80  358.699  2352.50  358.732  142.916   10.707  140.320   10.912 2.596115 15.28759 
1 1 1    2    3   17 o  186.208   9.8784  4127.27  432.802  4375.50  612.105  3879.10  612.042  191.053   13.658  179.642   14.553 11.41066 19.95833 
1 1 1    2    3   18 o  103.400   5.6052  1268.55  136.350  1282.00  192.823  1255.10  192.832  103.696   7.9349  102.585   8.0243 1.111122 11.28509 
1 1 1    2    3   19 o  341.386   19.001 14181.85  1525.67 15066.10  2154.71 13292.80  2160.55  347.132   26.486  324.560   28.479 22.57217 38.89170 
1 1 1    2    3   20 o  123.332   6.6364  1808.25  192.561  1816.20  272.250  1800.30  272.396  123.177   9.4316  122.625   9.4808 0.5524445 13.37318 
1 1 1    2    3   21 o  323.491   17.688 12806.74  1345.99 13114.20  1902.47 12498.60  1904.58  321.593   25.255  313.297   25.979 8.295380 36.23160 
1 1 1    2    3   22 o  244.292   13.111  7218.06  753.583  7079.60  1065.56  7356.60  1065.90  238.811   19.054  243.702   18.664 -4.890091 26.67233 
1 1 1    2    3   23 o   29.330   2.1258  102.168   14.623  116.900   20.668   87.400   20.693   31.321   2.8248   26.985   3.3174 4.336899 4.357114 
1 1 1    2    3   24 o  180.313   9.7419  3906.00  413.258  3993.60  584.104  3818.20  584.765  180.792   13.786  176.602   14.141 4.190567 19.74895 
1 1 1    2    3   25 o   85.781   4.7183  874.643   95.207  835.800  134.632  913.500  134.654   83.527   6.8873   87.402   6.5725 -3.874969 9.520058 
1 1 1    2    3   26 o  228.780   12.128  6357.69  652.879  5720.30  922.979  6996.00  923.641  213.041   18.532  237.183   16.596 -24.14203 24.87663 
1 1 1    2    3   27 o  141.808   7.6852  2407.32  256.384  2272.10  362.678  2542.40  362.486  136.652   11.342  144.838   10.674 -8.186859 15.57462 
1 1 1    2    3   28 o  175.224   9.4809  3700.91  390.831  3443.40  552.781  3958.30  552.655  166.911   14.159  179.580   13.124 -12.66884 19.30527 
1 1 1    2    3   29 f   93.882   5.0323  1049.42  111.153  915.500  157.119  1183.60  157.270   87.156   7.7140   99.402   6.7400 -12.24626 10.24372 
1 1 1    2    3   30 o  122.872   6.6207  1807.40  191.387  1696.50  270.603  1918.40  270.722  118.066   9.7945  125.820   9.1752 -7.753136 13.42081 
1 1 1    2    3   31 o  124.493   6.6117  1858.70  193.668  1674.10  273.740  2043.70  274.037  116.956   10.008  129.721   9.0019 -12.76525 13.46101 
1 1 1    2    3   32 o  100.222   5.5125  1202.72  129.956  1106.60  183.807  1298.80  183.764   95.293   8.2498  103.535   7.5689 -8.242165 11.19590 
1 1 1    2    3   33 o   61.470   3.5420  450.156   51.196  468.500   72.390  431.800   72.415   62.454   4.9491   59.894   5.1708 2.559315 7.157569 
1 1 1    2    3   34 o   38.089   2.4550  172.598   21.964  174.400   31.082  170.800   31.040   38.143   3.4896   37.738   3.5240 0.4047050 4.959452 
1 1 1    2    3   35 o  103.281   5.6912  1292.27  138.263  1226.90  195.492  1357.70  195.576   99.141   8.4305  104.612   7.9773 -5.471458 11.60651 
1 1 1    2    3   36 f   34.706   2.3188  143.501   18.894  140.600   26.723  146.400   26.718   34.184   3.3537   34.902   3.2803 -0.7179794 4.691246 
1 1 1    2    3   37 o   18.762   1.7494   42.050   7.6609   37.400   10.834   46.700   10.834   17.532   2.7040   19.690   2.3784 -2.158155 3.601101 
1 1 1    2    3   38 o   19.900   1.7803   47.299   8.2776   48.100   11.716   46.500   11.696   19.952   2.5448   19.603   2.5902 0.3482723 3.631146 
1 1 1    2    3   39 o   34.845   2.3105  144.981   18.903  154.000   26.761  136.000   26.705   35.738   3.2053   33.516   3.4222 2.221149 4.688838 
1 1 1    2    3   40 o   10.280   1.6372   12.834   3.8409   13.700   5.4823   12.000   5.3827   10.532   2.2712   9.8460   2.3481 0.6862879 3.266782 
1 1 1    2    3   41 o   24.412   1.9442   71.262   11.115   67.300   15.743   75.200   15.694   23.537   2.8936   24.939   2.7085 -1.402374 3.963428 
1 1 1    2    3   42 o   20.406   1.8066   49.889   8.6156   52.600   12.210   47.200   12.159   20.817   2.5363   19.669   2.6883 1.147522 3.695897 
1 1 1    2    3   43 o   48.902   3.1304  290.739   35.959  333.100   50.741  248.000   50.966   51.785   4.1852   44.189   4.9706 7.596321 6.497936 
1 1 1    2    3   44 o   41.972   2.6156  213.226   25.794  249.200   36.516  177.400   36.441   44.984   3.4644   37.553   4.1804 7.430603 5.429320 
1 1 1    2    3   45 o   6.8518   1.7313   5.8197   2.8024   6.9000   3.9281   4.7000   3.9991   7.4863   2.1238   6.4794   2.1949 1.006863 3.054196 
1 1 1    2    3   46 o   16.737   1.7511   33.829   6.8182   36.500   9.5904   31.100   9.6952   17.225   2.4249   15.801   2.6952 1.424590 3.625499 
1 1 1    2    3   47 o   26.968   2.0593   87.903   13.015   87.300   18.447   88.500   18.363   26.538   2.9962   26.738   2.9581 -0.1994553 4.210413 
1 1 1    2    3   48 o   32.604   2.3255  129.224   17.786  143.000   25.087  115.300   25.222   33.901   3.1706   30.185   3.6102 3.716019 4.804781 
1 1 1    2    3   49 o   25.509   2.0709   79.112   12.366   85.200   17.333   72.800   17.648   26.151   2.8532   23.994   3.1941 2.156755 4.282856 
1 1 1    2    3   50 o   9.9994   1.7356   12.361   3.9496   12.000   5.6713   12.700   5.5036   9.7094   2.4682   10.001   2.3673 -0.2912693 3.419939 
1 1 1    2    3   51 o   6.5007   1.8337   5.2574   2.9370   2.5000   4.2853   7.7000   4.0333   5.6566   2.2121   7.8133   2.1283 -2.156671 3.069737 
1 1 1    2    3   52 o   11.692   1.8003   16.939   4.8111   19.500   6.6924   14.200   6.9213   12.373   2.3770   10.442   2.7638 1.930972 3.645385 
1 1 1    2    3   53 o   12.607   2.5631   20.500   7.3703   20.500   7.3703   0.0000   0.0000   12.607   2.5631  ?   ?  0.000000 2.563063 
1 1 1    2    3   54 o   11.531   2.8150   17.600   7.5982   17.600   7.5982   0.0000   0.0000   11.531   2.8150  ?   ?  0.000000 2.815037 
1 1 1    2    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    1 o  150.371   8.0308  2685.90  284.124  2676.40  401.899  2695.40  401.725  149.636   11.461  150.176   11.414 -0.5406342 16.17513 
1 1 1    2    4    2 o  214.895   11.537  5504.38  583.309  6213.30  824.704  4794.70  825.143  227.533   15.441  199.198   17.727 28.33519 23.50909 
1 1 1    2    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    5 o   42.289   3.7552  213.000   37.109  213.000   37.109   0.0000   0.0000   42.289   3.7552  ?   ?  0.000000 3.755153 
1 1 1    2    4    6 o  135.688   7.2413  2188.32  231.177  2141.00  326.491  2235.90  327.379  133.731   10.421  136.715   10.215 -2.984482 14.59245 
1 1 1    2    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4    9 o  179.374   9.4793  3843.20  400.083  3651.30  565.505  4035.50  566.102  173.668   13.906  182.847   13.200 -9.179138 19.17359 
1 1 1    2    4   10 o  257.677   13.800  7985.71  836.628  8068.90  1182.78  7902.40  1183.56  256.627   19.668  253.840   19.905 2.786774 27.98282 
1 1 1    2    4   11 o  242.432   12.911  7031.42  736.480  7623.30  1041.52  6439.50  1041.56  251.051   17.682  230.082   19.350 20.96931 26.21231 
1 1 1    2    4   12 o  248.304   13.139  7361.83  767.668  7242.50  1085.09  7481.40  1086.20  244.816   18.917  248.934   18.613 -4.117432 26.53851 
1 1 1    2    4   13 o  255.903   13.635  7817.28  820.973  8213.50  1160.83  7420.80  1161.23  261.019   18.963  247.740   20.021 13.27925 27.57616 
1 1 1    2    4   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   16 f  218.474   11.557  5689.62  594.114  5896.90  840.360  5482.50  840.048  221.434   16.184  213.314   16.813 8.120178 23.33678 
1 1 1    2    4   17 o  388.448   20.735 18296.66  1895.06 17884.00  2676.19 18711.70  2683.87  378.537   30.191  387.683   29.540 -9.145630 42.23822 
1 1 1    2    4   18 o  159.727   8.5097  3035.09  319.806  3075.00  452.342  2995.20  452.207  160.178   12.047  158.042   12.212 2.136353 17.15436 
1 1 1    2    4   19 o  107.106   5.7954  1362.00  146.030  1339.00  206.516  1385.00  206.519  105.880   8.3272  107.715   8.1804 -1.835526 11.67309 
1 1 1    2    4   20 f  118.849   6.3123  1678.63  176.516  1786.40  249.767  1571.10  249.495  122.268   8.7078  114.522   9.3065 7.746735 12.74503 
1 1 1    2    4   21 f  143.926   7.7144  2468.85  261.229  2464.20  369.482  2473.50  369.387  143.098   11.019  143.376   10.994 -0.2775879 15.56587 
1 1 1    2    4   22 o  146.826   7.6762  2571.48  265.217  2863.40  375.251  2280.10  374.898  154.334   10.357  137.295   11.674 17.03824 15.60624 
1 1 1    2    4   23 o  299.875   16.279 11045.08  1148.45 10813.30  1623.37 11277.30  1624.93  290.352   23.889  297.063   23.353 -6.711060 33.40730 
1 1 1    2    4   24 o   63.305   3.5777  475.620   53.262  450.300   75.279  501.000   75.369   61.403   5.2421   64.827   4.9612 -3.424442 7.217536 
1 1 1    2    4   25 o  359.732   20.459 16408.91  1730.71 15826.10  2450.03 16989.40  2445.16  338.734   30.973  353.199   29.590 -14.46475 42.83568 
1 1 1    2    4   26 o   69.594   3.8509  575.099   63.038  480.800   89.125  669.500   89.172   63.326   6.0330   74.961   5.0675 -11.63488 7.878850 
1 1 1    2    4   27 o  123.725   6.7027  1827.82  195.096  1520.20  275.918  2135.40  275.898  111.836   10.574  133.236   8.8192 -21.39974 13.76868 
1 1 1    2    4   28 o  124.585   6.7552  1854.93  197.988  1714.60  280.025  1995.20  279.970  118.884   10.070  128.551   9.2855 -9.667030 13.69727 
1 1 1    2    4   29 o  257.233   14.191  8185.60  858.640  7824.70  1214.48  8546.30  1214.12  244.749   21.224  257.023   20.166 -12.27480 29.27700 
1 1 1    2    4   30 o   19.812   1.7894   46.761   8.2810   41.800   11.724   51.700   11.698   18.598   2.7528   20.769   2.4313 -2.170994 3.672798 
1 1 1    2    4   31 f  165.969   9.0190  3342.05  352.136  3126.00  497.993  3558.10  497.999  157.911   13.484  169.175   12.556 -11.26352 18.42480 
1 1 1    2    4   32 o   68.334   3.9105  556.302   62.838  538.900   89.001  573.600   88.732   66.918   5.6862   69.098   5.4832 -2.180084 7.899329 
1 1 1    2    4   33 o   78.982   4.4169  745.557   82.047  733.300  116.065  757.800  116.000   77.822   6.3717   79.154   6.2572 -1.331596 8.930345 
1 1 1    2    4   34 o   94.133   5.1692  1065.86  114.462  987.900  161.834  1143.90  161.914   89.601   7.7243   96.736   7.1386 -7.135406 10.51785 
1 1 1    2    4   35 o   45.817   2.8060  250.203   30.212  252.400   42.699  248.000   42.755   45.802   3.9878   45.389   4.0311 0.4131241 5.670255 
1 1 1    2    4   36 f   14.914   1.6604   26.648   5.7482   27.100   8.1465   26.200   8.1120   14.929   2.3916   14.667   2.4270 0.2616644 3.407396 
1 1 1    2    4   37 o   61.424   3.4403  452.325   49.699  502.900   70.372  402.000   70.197   64.380   4.6605   57.314   5.2450 7.066628 7.016367 
1 1 1    2    4   38 o   76.576   4.3213  709.627   77.820  736.800  110.102  682.500  110.007   77.120   6.0957   74.059   6.3519 3.060577 8.803619 
1 1 1    2    4   39 o   38.517   2.4652  177.283   22.304  187.900   31.568  166.700   31.518   39.445   3.4230   37.080   3.6468 2.365704 5.001620 
1 1 1    2    4   40 o   31.763   2.2035  120.550   16.425  119.800   23.228  121.300   23.228   31.465   3.1695   31.668   3.1480 -0.2032051 4.467171 
1 1 1    2    4   41 o   38.921   2.4654  181.456   22.542  193.700   31.937  169.300   31.821   39.961   3.4174   37.265   3.6634 2.695187 5.009942 
1 1 1    2    4   42 o   47.852   2.9308  276.400   32.957  264.500   46.608  288.300   46.608   46.220   4.3205   48.369   4.1199 -2.148983 5.969986 
1 1 1    2    4   43 o   36.708   2.3983  162.215   20.675  154.500   29.174  170.000   29.304   35.424   3.5348   37.242   3.3687 -1.817291 4.882905 
1 1 1    2    4   44 o   35.773   2.3991  154.505   20.148  157.100   28.467  151.900   28.520   35.674   3.4213   35.042   3.4932 0.6322823 4.889581 
1 1 1    2    4   45 o   35.937   2.3762  156.262   20.050  143.800   28.313  168.800   28.398   33.947   3.5862   36.958   3.2884 -3.010788 4.865648 
1 1 1    2    4   46 o   40.622   2.5995  200.837   24.804  213.000   35.170  188.800   34.988   41.256   3.6477   38.682   3.8828 2.574249 5.327507 
1 1 1    2    4   47 o   26.250   2.0239   83.246   12.449   82.200   17.573   84.300   17.637   25.765   2.9411   26.108   2.9103 -0.3429966 4.137588 
1 1 1    2    4   48 o   12.687   1.7114   19.595   4.9964   24.000   7.0308   15.100   7.1016   13.941   2.2093   10.912   2.7555 3.029944 3.531878 
1 1 1    2    4   49 o   6.2429   1.8460   4.7629   2.9115   0.6000   4.0109   9.4000   4.2332   4.9165   2.0584   8.6496   2.0948 -3.733121 2.936851 
1 1 1    2    4   50 o   18.829   1.8411   43.155   8.0810   43.400   11.322   42.900   11.538   18.592   2.6542   18.451   2.7306 0.1404133 3.807992 
1 1 1    2    4   51 o   20.547   1.8269   51.488   8.7715   55.200   12.603   48.000   12.216   20.951   2.6035   19.458   2.7342 1.493116 3.775458 
1 1 1    2    4   52 o   20.783   1.9351   53.046   9.3878   61.100   13.199   44.800   13.355   21.998   2.5905   18.500   3.1714 3.498730 4.094927 
1 1 1    2    4   53 o   7.5015   2.3279   7.0000   4.5542   7.0000   4.5542   0.0000   0.0000   7.5015   2.3279  ?   ?  0.000000 2.327891 
1 1 1    2    4   54 o   11.037   2.7706   16.100   7.2099   16.100   7.2099   0.0000   0.0000   11.037   2.7706  ?   ?  0.000000 2.770637 
1 1 1    2    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    4   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5    1 o  153.066   8.1772  2784.06  294.492  2799.50  416.360  2768.60  416.589  152.997   11.611  152.134   11.686 0.8635864 16.47336 
1 1 1    2    5    2 o   50.864   3.0084  306.687   35.973  296.600   50.842  316.800   50.906   49.905   4.3581   51.603   4.2145 -1.697639 6.062582 
1 1 1    2    5    3 o   56.569   3.2535  379.313   43.277  352.300   61.162  406.400   61.244   54.376   4.8131   58.465   4.4701 -4.088898 6.568658 
1 1 1    2    5    4 o  265.483   20.483  8592.00  1274.18  8592.00  1274.18   0.0000   0.0000  265.483   20.483  ?   ?  0.000000 20.48330 
1 1 1    2    5    5 o  116.687   8.9879  1626.50  245.746  1626.50  245.746   0.0000   0.0000  116.687   8.9879  ?   ?  0.000000 8.987907 
1 1 1    2    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5    8 o  315.839   25.160 12598.70  1860.88 12598.70  1860.88   0.0000   0.0000  315.839   25.160  ?   ?  0.000000 25.15989 
1 1 1    2    5    9 o  327.094   26.046 13475.80  1995.09   0.0000   0.0000 13475.80  1995.09  ?   ?   327.094   26.046 0.000000 26.04610 
1 1 1    2    5   10 o  345.262   18.610 14463.44  1511.61 14730.10  2138.77 14197.30  2136.71  343.732   26.556  337.080   27.073 6.651733 37.92302 
1 1 1    2    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   13 o   66.682   3.7658  526.995   59.054  522.800   83.465  531.200   83.564   66.283   5.3790   66.821   5.3406 -0.5374908 7.579991 
1 1 1    2    5   14 o  406.375   31.860 20510.20  3032.74 20510.20  3032.74   0.0000   0.0000  406.375   31.860  ?   ?  0.000000 31.85956 
1 1 1    2    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   16 o  434.968   34.630 23868.50  3527.43 23868.50  3527.43   0.0000   0.0000  434.968   34.630  ?   ?  0.000000 34.62990 
1 1 1    2    5   17 o  126.859   6.8069  1910.70  203.164  1905.80  287.327  1915.60  287.306  126.334   9.7057  126.664   9.6790 -0.3295670 13.70705 
1 1 1    2    5   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   19 o  306.890   16.482 11401.35  1190.06 11266.30  1682.97 11536.40  1683.03  301.045   23.870  304.842   23.564 -3.797211 33.54161 
1 1 1    2    5   20 f  141.071   7.5145  2369.24  249.422  2214.00  352.672  2524.60  352.800  135.685   11.104  145.110   10.364 -9.424683 15.18969 
1 1 1    2    5   21 o  271.511   14.589  8941.27  931.950  9197.70  1318.19  8685.00  1317.77  271.798   20.694  263.641   21.351 8.157288 29.73360 
1 1 1    2    5   22 o  235.355   12.655  6696.35  700.741  6750.00  991.045  6642.70  990.949  233.482   18.117  231.517   18.275 1.965652 25.73327 
1 1 1    2    5   23 o   52.608   3.1344  328.384   38.760  332.000   54.565  324.700   55.069   52.770   4.4196   52.171   4.5146 0.5984840 6.317799 
1 1 1    2    5   24 o  204.234   10.955  5032.82  526.403  4963.80  744.033  5102.00  744.860  200.505   15.844  203.411   15.627 -2.906570 22.25356 
1 1 1    2    5   25 o  108.975   5.7112  1413.75  146.454  1184.30  207.007  1643.70  207.228   99.090   8.9433  117.188   7.5285 -18.09756 11.69023 
1 1 1    2    5   26 o  130.436   6.8396  2031.15  209.930  1775.60  296.741  2287.20  297.031  121.008   10.489  137.845   9.1778 -16.83755 13.93709 
1 1 1    2    5   27 o  117.674   6.3807  1652.27  176.639  1488.50  249.816  1816.00  249.793  110.914   9.6340  122.856   8.6659 -11.94206 12.95814 
1 1 1    2    5   28 o   38.588   2.4706  176.747   22.394  177.900   31.714  175.600   31.627   38.609   3.5171   38.354   3.5317 0.2544594 4.984282 
1 1 1    2    5   29 f   72.959   3.9758  632.587   68.238  499.100   96.462  766.300   96.544   64.405   6.4286   80.163   5.1271 -15.75824 8.222759 
1 1 1    2    5   30 o  100.378   5.4867  1202.55  129.559  1062.30  183.224  1342.80  183.224   93.641   8.3746  105.640   7.3916 -11.99915 11.16998 
1 1 1    2    5   31 o   83.584   4.4876  832.437   88.248  722.200  124.710  943.000  124.894   77.339   6.9013   88.672   6.0001 -11.33321 9.144854 
1 1 1    2    5   32 o  122.434   6.7221  1806.37  193.601  1760.80  273.992  1851.80  273.594  119.536   9.7927  122.745   9.5136 -3.208862 13.65308 
1 1 1    2    5   33 o  153.810   8.4128  2897.39  304.396  2780.90  430.373  3014.00  430.589  147.563   12.468  154.145   11.922 -6.582092 17.25075 
1 1 1    2    5   34 o   86.043   4.7851  889.000   96.840  888.700  136.956  889.300  136.949   85.286   6.8585   85.316   6.8557 -0.3003693E-01 9.697385 
1 1 1    2    5   35 o   53.683   3.1395  343.925   39.624  361.700   56.077  326.200   55.997   54.789   4.3708   51.953   4.6125 2.836010 6.354418 
1 1 1    2    5   36 o   94.860   5.2904  1092.30  118.033  1145.80  166.924  1038.80  166.924   95.914   7.4281   91.033   7.8418 4.880981 10.80139 
1 1 1    2    5   37 o   3.0308   1.1822   0.6480   1.2216  -0.6000   1.7632   1.8000   1.6940   2.9251   1.2940   4.1203   1.4275 -1.195158 1.926687 
1 1 1    2    5   38 o   4.2056   1.4552   1.8803   1.7600  -0.5000   2.5978   3.9000   2.3929   3.6739   1.5995   5.6921   1.6709 -2.018248 2.313027 
1 1 1    2    5   39 f   63.992   3.6497  493.691   54.923  529.400   77.737  458.100   77.608   65.666   5.0521   60.863   5.4579 4.802677 7.437237 
1 1 1    2    5   40 o   53.563   3.1724  345.129   39.946  357.400   56.541  332.900   56.443   54.026   4.4722   52.059   4.6402 1.967369 6.444528 
1 1 1    2    5   41 o   58.456   3.4219  413.233   47.028  376.500   66.492  450.000   66.524   54.953   5.1854   60.390   4.7020 -5.437531 6.999852 
1 1 1    2    5   42 o   84.917   4.8723  899.106   97.291  954.900  137.644  843.400  137.536   85.314   6.8912   79.549   7.4070 5.765694 10.11695 
1 1 1    2    5   43 o   25.375   1.9820   77.300   11.782   77.300   16.742   77.300   16.582   25.150   2.8705   25.159   2.8410 -0.8468628E-02 4.038648 
1 1 1    2    5   44 o   51.741   3.1027  326.995   37.734  350.800   53.426  303.300   53.302   52.788   4.3240   48.803   4.6827 3.984646 6.373740 
1 1 1    2    5   45 o   29.508   2.1281  105.042   14.729  107.000   20.875  103.100   20.785   29.462   3.0444   28.895   3.0943 0.5666676 4.340899 
1 1 1    2    5   46 o   33.303   2.2584  134.200   17.655  150.000   25.008  118.500   24.929   34.871   3.0683   30.768   3.4931 4.102959 4.649286 
1 1 1    2    5   47 o   35.911   2.3485  156.476   19.806  179.800   28.054  133.300   27.965   38.111   3.1455   32.482   3.7126 5.628456 4.865970 
1 1 1    2    5   48 o   23.785   1.9281   68.383   10.736   78.800   15.196   58.000   15.171   25.324   2.5771   21.504   3.0752 3.819618 4.012280 
1 1 1    2    5   49 o   14.245   1.8176   24.772   5.9746   30.300   8.2905   18.800   8.6177   15.632   2.3160   12.083   3.0268 3.549645 3.811198 
1 1 1    2    5   50 o   38.460   2.6242  183.245   23.690  197.900   33.396  168.400   33.610   39.136   3.6561   35.735   4.0549 3.400936 5.459722 
1 1 1    2    5   51 o   7.9202   1.7600   7.8684   3.2062   13.000   4.7890   3.7000   4.3162   10.156   2.0672   6.1075   2.2590 4.048604 3.062074 
1 1 1    2    5   52 o   14.943   1.8181   27.476   6.2832   35.200   8.7884   19.400   8.9865   16.763   2.2794   12.095   3.1243 4.667240 3.867445 
1 1 1    2    5   53 o   25.076   3.0219   81.400   17.534   81.400   17.534   0.0000   0.0000   25.076   3.0219  ?   ?  0.000000 3.021944 
1 1 1    2    5   54 o   7.9186   2.7471   7.5000   6.2742   7.5000   6.2742   0.0000   0.0000   7.9186   2.7471  ?   ?  0.000000 2.747077 
1 1 1    2    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    5   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6    0 o   24.848   2.8770   75.800   16.291   75.800   16.291   75.800   16.291   24.848   2.8770   24.848   2.8770 0.000000 0.000000 
1 1 1    2    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6    3 o  186.662   9.6619  4151.38  424.415  5104.00  600.534  3200.80  599.893  206.461   12.375  162.510   15.834 43.95082 20.09596 
1 1 1    2    6    4 o  117.992   6.4464  1653.90  178.929  1790.50  252.862  1516.90  253.227  122.470   8.8023  112.544   9.6210 9.926163 13.04012 
1 1 1    2    6    5 o   48.535   4.1610  280.600   47.227  280.600   47.227   0.0000   0.0000   48.535   4.1610  ?   ?  0.000000 4.160967 
1 1 1    2    6    6 o  109.047   5.8322  1412.69  149.635  1365.40  211.038  1460.50  212.197  106.837   8.4338  110.557   8.1863 -3.719887 11.75348 
1 1 1    2    6    7 o  133.056   7.2281  2107.53  226.249  2262.30  319.773  1952.40  320.156  137.387   9.9236  127.407   10.742 9.979195 14.62401 
1 1 1    2    6    8 o  177.128   9.5321  3746.53  397.226  3798.20  560.768  3694.50  562.763  177.359   13.491  174.834   13.742 2.524048 19.25732 
1 1 1    2    6    9 o  210.506   11.259  5298.12  557.611  6459.70  788.557  4136.40  788.606  231.588   14.493  183.921   18.405 47.66779 23.42605 
1 1 1    2    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   11 o  298.573   15.559 10678.29  1093.17 10102.00  1543.37 11258.50  1548.61  287.988   22.884  304.586   21.673 -16.59811 31.51782 
1 1 1    2    6   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   14 o  276.343   14.599  9131.01  949.282  8914.60  1341.75  9347.90  1343.23  271.189   21.119  277.904   20.616 -6.714783 29.51317 
1 1 1    2    6   15 o  484.753   39.052 30001.90  4432.25 30001.90  4432.25   0.0000   0.0000  484.753   39.052  ?   ?  0.000000 39.05174 
1 1 1    2    6   16 o  142.155   7.5348  2399.96  252.024  2529.00  356.535  2271.10  356.296  145.555   10.443  137.800   11.042 7.754120 15.19810 
1 1 1    2    6   17 o  217.656   11.572  5655.20  592.620  5655.20  838.151  5655.20  838.032  216.436   16.524  216.437   16.522 -0.6866455E-03 23.36722 
1 1 1    2    6   18 o   74.291   4.1422  654.499   72.377  616.400  102.355  692.600  102.359   71.901   6.0857   76.285   5.7241 -4.383865 8.354680 
1 1 1    2    6   19 o  373.596   20.245 17115.21  1779.34 16887.70  2515.08 17343.20  2517.67  363.616   29.547  368.889   29.140 -5.272614 41.49927 
1 1 1    2    6   20 o   23.270   1.7770   64.328   9.6909   76.800   13.773   52.100   13.638   25.391   2.3229   20.804   2.8511 4.586935 3.677534 
1 1 1    2    6   21 o  177.245   9.4707  3759.63  394.950  3836.30  558.614  3683.00  558.473  177.869   13.398  174.159   13.690 3.710312 19.15555 
1 1 1    2    6   22 o   54.965   3.1792  358.376   41.087  326.100   58.085  390.700   58.128   52.260   4.7590   57.290   4.3287 -5.030033 6.433190 
1 1 1    2    6   23 o  310.212   16.990 11877.38  1239.83 11858.90  1752.58 11895.90  1754.20  302.790   24.728  303.283   24.709 -0.4928284 34.95713 
1 1 1    2    6   24 o   82.934   4.5657  817.277   89.069  797.000  125.890  837.600  126.034   81.613   6.5885   83.706   6.4254 -2.092415 9.202918 
1 1 1    2    6   25 f  182.463   9.7756  4006.69  419.659  3797.70  593.407  4215.80  593.568  175.677   14.432  185.540   13.644 -9.863068 19.86036 
1 1 1    2    6   26 o  224.600   12.046  6129.60  636.559  5772.30  899.984  6487.30  900.477  214.283   17.952  228.054   16.841 -13.77162 24.61440 
1 1 1    2    6   27 o   53.860   3.1678  344.355   40.111  273.000   56.728  415.700   56.724   47.696   5.1167   59.101   4.0896 -11.40584 6.550282 
1 1 1    2    6   28 o   98.473   5.3812  1155.30  124.655  1071.30  176.292  1239.30  176.285   94.293   7.9928  101.603   7.3984 -7.309891 10.89133 
1 1 1    2    6   29 o  212.682   11.616  5522.69  581.171  5268.20  822.047  5777.00  821.752  203.734   17.249  214.121   16.377 -10.38728 23.78505 
1 1 1    2    6   30 o   55.767   3.1853  369.394   41.772  316.500   59.043  422.400   59.105   51.375   4.9274   59.520   4.2329 -8.145557 6.495880 
1 1 1    2    6   31 o  132.256   7.1891  2106.01  223.676  2130.80  316.277  2081.20  316.375  131.738   10.248  130.121   10.383 1.616913 14.58842 
1 1 1    2    6   32 o   33.634   2.2633  134.444   17.871  136.800   25.306  132.100   25.241   33.818   3.2073   33.220   3.2597 0.5984116 4.572993 
1 1 1    2    6   33 o   43.423   2.6117  224.194   26.655  194.700   37.661  253.800   37.732   40.248   4.0162   46.091   3.4928 -5.842716 5.322547 
1 1 1    2    6   34 o   31.176   2.1507  115.635   15.736  104.200   22.240  127.100   22.269   29.433   3.2545   32.593   2.9246 -3.159847 4.375462 
1 1 1    2    6   35 o   63.760   3.5491  486.120   53.224  544.000   75.355  428.500   75.186   67.126   4.7854   59.341   5.4256 7.784546 7.234441 
1 1 1    2    6   36 o   22.820   1.8494   62.081   9.8803   53.600   13.958   70.600   13.988   21.034   2.8862   24.260   2.4765 -3.226295 3.803061 
1 1 1    2    6   37 o   70.901   3.9255  605.081   65.465  674.600   92.661  535.800   92.502   74.298   5.3167   65.857   6.0146 8.440254 8.027600 
1 1 1    2    6   38 o   14.883   1.6281   26.548   5.6285   31.300   8.0040   21.900   7.9166   16.095   2.1606   13.339   2.6068 2.755809 3.385761 
1 1 1    2    6   39 f   43.810   2.7162  229.739   27.961  260.100   39.550  199.400   39.535   46.383   3.6402   40.409   4.2048 5.974243 5.561602 
1 1 1    2    6   40 o   64.496   3.7363  503.493   56.659  538.100   80.137  468.900   80.120   65.947   5.1880   61.307   5.5960 4.639500 7.630925 
1 1 1    2    6   41 f   51.601   3.0301  320.773   36.759  348.000   52.059  293.700   51.911   53.289   4.1704   48.754   4.5621 4.535713 6.181020 
1 1 1    2    6   42 o   66.846   3.8438  547.142   60.419  585.400   85.511  509.000   85.380   68.023   5.3672   63.056   5.7991 4.966473 7.901672 
1 1 1    2    6   43 o   61.496   3.6378  464.792   52.590  447.100   74.357  482.500   74.391   58.944   5.4023   61.452   5.1746 -2.508087 7.480765 
1 1 1    2    6   44 o   43.320   2.6906  227.646   27.387  262.200   38.762  193.200   38.702   46.035   3.5942   39.114   4.2591 6.921814 5.573022 
1 1 1    2    6   45 o   34.792   2.3487  146.493   19.183  163.800   27.134  129.200   27.123   36.437   3.1857   32.117   3.6407 4.319729 4.837706 
1 1 1    2    6   46 o   20.577   1.8287   51.051   8.7934   50.900   12.491   51.200   12.382   20.314   2.6684   20.386   2.6336 -0.7174683E-01 3.749186 
1 1 1    2    6   47 o   9.8850   1.6482   11.975   3.7118   14.200   5.3434   9.9000   5.1599   10.670   2.1941   8.8963   2.4007 1.773457 3.252253 
1 1 1    2    6   48 f   10.065   1.6525   12.422   3.7911   14.900   5.3924  10.0000   5.3309   10.930   2.1659   8.9320   2.4526 1.997992 3.272063 
1 1 1    2    6   49 o   16.667   1.7391   33.704   6.7438   34.400   9.5111   33.000   9.5635   16.611   2.5024   16.236   2.5808 0.3749561 3.594751 
1 1 1    2    6   50 f   42.587   2.9323  227.227   29.308  269.600   41.290  184.200   41.607   45.445   3.8850   36.460   4.9615 8.984730 6.301547 
1 1 1    2    6   51 o   21.576   1.9520   57.021   9.8373   77.700   13.872   36.100   13.953   25.007   2.3777   16.360   3.6985 8.647114 4.396836 
1 1 1    2    6   52 f   25.863   2.2254   82.889   13.459   99.500   18.793   65.400   19.284   27.918   2.8926   21.950   3.8614 5.968233 4.824715 
1 1 1    2    6   53 o   13.272   2.6281   22.800   7.9451   22.800   7.9451   0.0000   0.0000   13.272   2.6281  ?   ?  0.000000 2.628060 
1 1 1    2    6   54 o   6.9858   2.6019   5.1000   5.7456   5.1000   5.7456   0.0000   0.0000   6.9858   2.6019  ?   ?  0.000000 2.601893 
1 1 1    2    6   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    6   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7    0 o  273.053   21.183  9106.90  1346.90  9106.90  1346.90  9106.90  1346.90  273.053   21.183  273.053   21.183 -0.000000 0.000000 
1 1 1    2    7    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7    2 o   77.934   4.3296  720.400   79.363  696.400  112.236  744.400  112.236   76.424   6.2747   79.056   6.0584 -2.631874 8.722131 
1 1 1    2    7    3 o  266.276   14.358  8545.98  899.462  8645.30  1269.94  8446.00  1274.13  265.081   20.446  261.821   20.779 3.260376 29.15176 
1 1 1    2    7    4 o  226.173   11.973  6139.16  637.174  5943.00  899.631  6336.60  902.577  220.541   17.417  227.993   16.885 -7.452301 24.25769 
1 1 1    2    7    5 o  284.353   22.446 10084.70  1494.90 10084.70  1494.90   0.0000   0.0000  284.353   22.446  ?   ?  0.000000 22.44593 
1 1 1    2    7    6 o  263.936   20.641  8623.50  1276.21  8623.50  1276.21   0.0000   0.0000  263.936   20.641  ?   ?  0.000000 20.64101 
1 1 1    2    7    7 o  191.006   9.9448  4358.82  446.992  4070.40  630.854  4649.60  633.439  183.277   14.700  196.260   13.755 -12.98265 20.13216 
1 1 1    2    7    8 o   78.222   4.2320  725.566   77.880  664.600  109.884  787.100  110.395   74.646   6.2926   81.337   5.7855 -6.690453 8.548061 
1 1 1    2    7    9 o  142.142   7.3547  2400.04  246.014  2223.80  346.783  2578.60  349.062  136.307   10.864  146.964   10.120 -10.65738 14.84747 
1 1 1    2    7   10 o  268.868   14.301  8648.61  904.678  8602.10  1277.48  8695.40  1281.34  266.326   20.470  267.792   20.417 -1.465240 28.91142 
1 1 1    2    7   11 o  152.272   8.1063  2753.44  290.427  2847.30  410.852  2659.70  410.599  154.437   11.345  149.172   11.752 5.264313 16.33468 
1 1 1    2    7   12 f  356.133   27.591 15556.90  2302.22 15556.90  2302.22   0.0000   0.0000  356.133   27.591  ?   ?  0.000000 27.59149 
1 1 1    2    7   13 o   86.636   4.3887  889.239   89.489  1057.00  126.961  723.600  126.156   94.374   5.7242   77.894   6.9311 16.47984 8.989244 
1 1 1    2    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   15 o  251.275   13.274  7543.25  784.828  7367.00  1109.28  7719.90  1110.55  246.742   19.190  252.755   18.740 -6.012268 26.82248 
1 1 1    2    7   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   17 o  105.625   5.6719  1323.84  140.949  1260.20  199.234  1387.60  199.430  102.750   8.2818  107.902   7.8816 -5.152214 11.43276 
1 1 1    2    7   18 o  122.729   6.5968  1789.65  190.479  1813.70  269.408  1765.60  269.349  123.170   9.3321  121.495   9.4631 1.674866 13.29053 
1 1 1    2    7   19 o  173.585   9.2512  3595.78  377.837  3523.90  534.262  3667.70  534.422  170.860   13.348  174.407   13.072 -3.547028 18.68248 
1 1 1    2    7   20 o  266.287   14.259  8580.63  893.330  8942.00  1263.57  8219.50  1263.15  268.711   20.058  257.002   20.998 11.70972 29.03836 
1 1 1    2    7   21 o  108.507   5.8507  1400.12  149.354  1464.00  211.269  1336.30  211.167  110.599   8.1469  105.565   8.5445 5.033852 11.80595 
1 1 1    2    7   22 o  194.616   10.435  4551.85  477.780  4683.00  675.690  4420.70  675.676  195.728   14.727  189.931   15.193 5.797089 21.15921 
1 1 1    2    7   23 o  259.489   14.108  8214.19  861.205  8313.10  1217.38  8115.10  1218.48  256.763   20.243  253.438   20.537 3.325195 28.83624 
1 1 1    2    7   24 o  125.645   6.7560  1883.28  199.710  1790.20  282.400  1976.40  282.466  121.768   9.9072  128.118   9.4024 -6.350433 13.65863 
1 1 1    2    7   25 o   37.139   2.4109  163.700   21.029  162.000   29.742  165.400   29.737   36.842   3.4592   37.234   3.4204 -0.3923874 4.864730 
1 1 1    2    7   26 o  105.091   5.6628  1315.39  140.009  1231.70  197.934  1399.20  198.070  101.157   8.3613  107.982   7.8209 -6.825119 11.44896 
1 1 1    2    7   27 o  102.776   5.6098  1258.51  135.629  1171.00  191.824  1346.00  191.793   98.585   8.3178  105.881   7.7243 -7.295990 11.35125 
1 1 1    2    7   28 o   16.707   1.7411   33.337   6.7681   23.600   9.5897   43.000   9.5536   13.857   3.0163   18.950   2.1743 -5.093396 3.718330 
1 1 1    2    7   29 f  165.029   8.8732  3285.88  344.515  3128.90  487.105  3443.00  487.332  159.048   13.086  167.250   12.428 -8.202026 18.04722 
1 1 1    2    7   30 o  167.950   9.0644  3416.73  358.154  3197.00  506.429  3636.60  506.583  159.989   13.532  171.298   12.613 -11.30870 18.49832 
1 1 1    2    7   31 o   23.912   1.9603   68.052   10.972   61.300   15.577   74.700   15.457   22.555   2.9990   24.982   2.6611 -2.427841 4.009402 
1 1 1    2    7   32 o  140.316   7.6629  2389.20  252.940  2358.80  357.705  2419.60  357.717  137.395   11.121  139.269   10.966 -1.873398 15.61808 
1 1 1    2    7   33 o   37.707   2.4350  169.098   21.565  152.700   30.496  185.500   30.500   35.649   3.6754   39.386   3.3102 -3.736271 4.946265 
1 1 1    2    7   34 o   42.086   2.6369  210.904   26.073  222.600   36.867  199.200   36.880   43.079   3.6588   40.692   3.8852 2.386566 5.336844 
1 1 1    2    7   35 o   28.993   2.0850  100.097   14.179  103.000   20.062   97.200   20.042   29.292   2.9402   28.431   3.0320 0.8606129 4.223485 
1 1 1    2    7   36 o   36.289   2.3859  157.000   20.331  158.900   28.750  155.100   28.755   36.331   3.3904   35.881   3.4358 0.4500961 4.826927 
1 1 1    2    7   37 o   33.965   2.2800  137.593   18.181  141.400   25.735  133.800   25.688   34.266   3.2182   33.306   3.3101 0.9607887 4.616675 
1 1 1    2    7   38 o   76.668   4.2668  711.711   76.940  662.100  108.658  761.600  108.963   72.831   6.3824   78.430   5.9272 -5.598808 8.710155 
1 1 1    2    7   39 o   71.978   4.1465  628.182   70.179  673.800   99.213  582.500   99.282   73.683   5.7476   68.189   6.2349 5.494667 8.479893 
1 1 1    2    7   40 o   32.535   2.2167  126.534   16.928  134.300   23.965  118.800   23.915   33.337   3.0791   31.287   3.2862 2.050751 4.503287 
1 1 1    2    7   41 o   46.165   2.7873  256.296   30.243  277.400   42.825  235.300   42.715   47.656   3.8380   43.727   4.1880 3.929432 5.680677 
1 1 1    2    7   42 o   57.203   3.3814  398.181   45.472  413.200   64.348  383.200   64.265   57.435   4.7882   55.165   4.9874 2.270088 6.913829 
1 1 1    2    7   43 o   15.875   1.6821   30.330   6.2096   33.000   8.8152   27.700   8.7487   16.431   2.3380   14.974   2.5666 1.456722 3.471870 
1 1 1    2    7   44 o   40.788   2.6103  201.693   25.009  183.000   35.361  220.400   35.376   38.191   3.9795   42.169   3.5866 -3.978008 5.357239 
1 1 1    2    7   45 o   4.4599   1.5387   2.1466   1.9670  -4.2000   2.8398   8.0000   2.7272   2.9267   1.4067   8.0730   1.4853 -5.146370 2.045712 
1 1 1    2    7   46 o   24.434   1.9364   71.987   11.081   77.900   15.688   66.100   15.654   25.193   2.6781   23.095   2.9368 2.097786 3.974556 
1 1 1    2    7   47 o   12.814   1.6596   19.936   4.9038   20.900   6.9855   19.000   6.8857   12.957   2.3706   12.320   2.4530 0.6362438 3.411303 
1 1 1    2    7   48 o   18.666   1.7533   42.108   7.6373   49.000   10.834   35.300   10.768   19.980   2.3407   16.764   2.8203 3.215687 3.665087 
1 1 1    2    7   49 o   17.180   1.7814   35.844   7.1214   40.200   10.021   31.400   10.122   18.006   2.4181   15.739   2.8274 2.267199 3.720400 
1 1 1    2    7   50 o   7.6689   1.7305   7.3550   3.0594   9.7000   4.4209   5.2000   4.2381   8.7596   2.1527   6.7105   2.2596 2.049080 3.120830 
1 1 1    2    7   51 o   26.550   2.0636   86.500   12.836  105.600   18.153   67.400   18.153   28.988   2.6824   22.624   3.5119 6.364769 4.419148 
1 1 1    2    7   52 o   7.7608   1.8247   7.5990   3.2877   7.9000   4.3545   7.2000   5.0140   7.8971   2.2347   7.6543   2.4516 0.2428036 3.317273 
1 1 1    2    7   53 o   23.092   2.8690   68.700   15.307   68.700   15.307   0.0000   0.0000   23.092   2.8690  ?   ?  0.000000 2.868960 
1 1 1    2    7   54 o   11.488   2.9204   17.700   7.9396   17.700   7.9396   0.0000   0.0000   11.488   2.9204  ?   ?  0.000000 2.920397 
1 1 1    2    7   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    7   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8    0 o   24.561   2.8601   74.100   16.000   74.100   16.000   74.100   16.000   24.561   2.8601   24.561   2.8601 -0.000000 0.000000 
1 1 1    2    8    1 o  153.088   7.9422  2791.30  286.119  3095.30  405.065  2488.60  404.204  160.671   10.738  143.696   12.023 16.97504 16.12004 
1 1 1    2    8    2 f   55.689   3.1591  367.697   41.371  329.200   58.355  406.600   58.661   52.531   4.7559   58.475   4.2780 -5.943985 6.396877 
1 1 1    2    8    3 o  218.359   11.867  5726.23  609.593  6151.70  861.460  5299.50  862.732  224.682   16.349  207.876   17.746 16.80644 24.12875 
1 1 1    2    8    4 o  177.903   9.6040  3782.42  401.962  3889.60  567.759  3674.70  569.163  179.372   13.503  174.180   13.955 5.191956 19.41885 
1 1 1    2    8    5 o   83.786   6.6054  837.500  129.627  837.500  129.627   0.0000   0.0000   83.786   6.6054  ?   ?  0.000000 6.605377 
1 1 1    2    8    6 o  200.773   15.431  4886.60  725.976  4886.60  725.976   0.0000   0.0000  200.773   15.431  ?   ?  0.000000 15.43094 
1 1 1    2    8    7 o   66.144   3.7925  518.812   58.988  551.600   83.344  485.900   83.500   68.081   5.2241   63.832   5.5962 4.249012 7.655570 
1 1 1    2    8    8 f  168.910   8.8901  3394.50  353.340  3250.00  498.839  3540.00  500.563  164.556   12.942  171.891   12.416 -7.335648 17.93457 
1 1 1    2    8    9 o  293.182   15.488 10302.60  1068.42 11092.30  1512.31  9515.70  1509.63  302.261   21.325  279.170   23.108 23.09064 31.44434 
1 1 1    2    8   10 o  226.343   12.212  6107.16  650.286  6992.60  919.274  5220.30  920.012  241.395   16.221  207.758   18.962 33.63745 24.95372 
1 1 1    2    8   11 o  121.840   6.4874  1760.88  185.975  1634.10  262.879  1887.90  263.137  117.022   9.5977  125.922   8.9069 -8.899971 13.09385 
1 1 1    2    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   14 f  197.056   10.476  4622.69  485.703  4717.80  686.911  4527.60  686.865  198.283   14.777  194.153   15.101 4.130051 21.12780 
1 1 1    2    8   15 o  114.187   6.0585  1546.85  162.774  1672.60  230.385  1421.50  230.012  118.515   8.2844  109.118   9.0073 9.397469 12.23769 
1 1 1    2    8   16 o  249.446   13.326  7447.02  782.107  7582.60  1105.56  7311.20  1106.57  250.044   18.863  245.368   19.253 4.675858 26.95364 
1 1 1    2    8   17 o  226.018   12.089  6112.36  642.886  6310.80  908.936  5913.70  909.420  228.218   16.988  220.675   17.599 7.543747 24.46018 
1 1 1    2    8   18 o  111.879   5.9692  1486.53  157.129  1420.40  222.012  1552.90  222.418  108.991   8.6988  114.050   8.3160 -5.059654 12.03427 
1 1 1    2    8   19 o  309.001   16.658 11615.55  1210.98 11372.60  1712.41 11858.60  1712.76  300.816   24.315  307.621   23.763 -6.804901 33.99851 
1 1 1    2    8   20 o  235.318   12.564  6675.64  695.622  6980.00  983.938  6371.50  983.578  238.308   17.610  227.171   18.496 11.13759 25.53843 
1 1 1    2    8   21 o   70.215   3.9165  585.070   64.678  607.100   91.530  563.100   91.407   71.359   5.4736   68.681   5.6872 2.678101 7.893357 
1 1 1    2    8   22 o  192.771   10.338  4466.65  468.859  4422.20  663.026  4511.10  663.108  190.015   14.896  191.999   14.738 -1.983185 20.95506 
1 1 1    2    8   23 f   29.699   2.0576  104.705   14.341   94.300   20.237  115.200   20.325   28.069   3.1053   31.092   2.7983 -3.022680 4.180108 
1 1 1    2    8   24 o   61.180   3.5185  444.308   50.617  424.600   71.597  464.000   71.568   59.618   5.1359   62.373   4.8986 -2.754845 7.097414 
1 1 1    2    8   25 f  207.007   10.999  5181.77  535.719  4741.20  757.381  5622.90  757.862  195.068   16.600  213.457   15.134 -18.38861 22.46316 
1 1 1    2    8   26 o  112.673   6.0363  1513.27  160.018  1374.50  226.233  1652.20  226.367  106.718   9.0633  117.282   8.2257 -10.56431 12.23950 
1 1 1    2    8   27 o   62.815   3.6008  468.609   53.187  427.400   75.226  509.800   75.210   59.752   5.3895   65.370   4.9081 -5.617615 7.289509 
1 1 1    2    8   28 o  147.152   7.8486  2598.37  271.737  2400.20  384.168  2796.80  384.420  140.026   11.726  151.614   10.808 -11.58760 15.94769 
1 1 1    2    8   29 o   69.645   3.7916  576.447   62.121  489.000   87.776  664.200   87.929   63.812   5.8918   74.601   5.0207 -10.78884 7.740812 
1 1 1    2    8   30 o  196.187   10.516  4705.41  485.416  4221.30  686.242  5190.20  686.721  181.620   16.170  203.083   14.414 -21.46248 21.66181 
1 1 1    2    8   31 o   66.785   3.7908  531.049   59.536  516.500   84.195  545.600   84.198   65.558   5.4892   67.425   5.3318 -1.866440 7.652439 
1 1 1    2    8   32 o   20.630   1.8167   50.712   8.7596   43.300   12.398   58.100   12.378   18.904   2.8674   22.022   2.4201 -3.118416 3.752195 
1 1 1    2    8   33 o   30.917   2.1625  113.702   15.688  111.300   22.196  116.100   22.177   30.461   3.1303   31.129   3.0565 -0.6677322 4.375069 
1 1 1    2    8   34 o   79.149   4.4305  751.995   82.473  766.000  116.657  738.000  116.613   79.235   6.2865   77.715   6.4118 1.520821 8.979479 
1 1 1    2    8   35 o   23.434   1.8861   65.447   10.348   69.200   14.641   61.700   14.629   24.000   2.6262   22.618   2.7988 1.382519 3.838019 
1 1 1    2    8   36 o  102.146   5.7268  1275.97  137.576  1354.00  194.535  1197.90  194.589  103.551   8.0183   96.906   8.5928 6.645058 11.75279 
1 1 1    2    8   37 o   55.462   3.2813  368.812   42.783  381.700   60.475  355.900   60.533   56.016   4.6130   54.013   4.7959 2.002968 6.654370 
1 1 1    2    8   38 o   51.932   3.1052  323.403   37.905  321.200   53.644  325.600   53.567   51.335   4.4700   51.702   4.4304 -0.3669014 6.293530 
1 1 1    2    8   39 f   40.308   2.5447  194.335   24.096  209.200   34.094  179.500   34.060   41.593   3.5039   38.423   3.8040 3.170349 5.171810 
1 1 1    2    8   40 o   44.280   2.7430  235.245   28.540  242.600   40.377  227.900   40.347   44.624   3.8701   43.196   4.0010 1.428268 5.566495 
1 1 1    2    8   41 o   48.750   2.9671  286.596   33.994  300.600   48.081  272.600   48.068   49.443   4.1568   46.963   4.3852 2.479561 6.042277 
1 1 1    2    8   42 o   37.857   2.4608  172.441   21.878  180.100   30.959  164.800   30.922   38.351   3.4558   36.607   3.6248 1.743343 5.008140 
1 1 1    2    8   43 f   30.303   2.1320  110.417   15.158  121.200   21.470   99.700   21.405   31.514   2.9182   28.446   3.2447 3.068268 4.363924 
1 1 1    2    8   44 o   38.665   2.5050  181.029   22.748  188.000   32.221  174.100   32.122   38.930   3.5438   37.379   3.6873 1.551434 5.114165 
1 1 1    2    8   45 o   24.729   1.9331   73.668   11.199   80.900   15.873   66.500   15.802   25.704   2.6532   23.178   2.9544 2.526077 3.970865 
1 1 1    2    8   46 o   17.991   1.7576   39.054   7.3715   39.600   10.385   38.500   10.466   17.919   2.5242   17.645   2.5888 0.2740364 3.615758 
1 1 1    2    8   47 o   30.936   2.1843  115.932   15.854  127.200   22.439  104.700   22.403   32.064   2.9985   28.904   3.3442 3.159571 4.491587 
1 1 1    2    8   48 o   59.416   3.6023  445.471   50.303  468.300   71.184  422.700   71.093   58.988   5.1624   55.598   5.4866 3.390385 7.533460 
1 1 1    2    8   49 o   19.970   1.8774   48.471   8.7490   50.700   12.186   46.100   12.568   20.165   2.6213   19.114   2.8736 1.051062 3.889509 
1 1 1    2    8   50 o   7.9676   1.7669   7.9452   3.2373   1.4000   4.2693   16.800   4.9657   5.2890   2.1598   11.654   1.8675 -6.365325 2.855176 
1 1 1    2    8   51 o   25.414   2.0905   79.422   12.434   83.400   17.329   75.200   17.852   25.579   2.9214   24.091   3.2186 1.488085 4.346720 
1 1 1    2    8   52 o   14.871   1.7562   27.153   6.0480   25.100   8.2811   29.500   8.8538   13.981   2.6042   15.205   2.5567 -1.223847 3.649400 
1 1 1    2    8   53 f   19.537   2.7142   49.000   12.183   49.000   12.183   0.0000   0.0000   19.537   2.7142  ?   ?  0.000000 2.714178 
1 1 1    2    8   54 o   15.992   2.6839   33.400   9.7760   33.400   9.7760   0.0000   0.0000   15.992   2.6839  ?   ?  0.000000 2.683887 
1 1 1    2    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9    0 o   72.946   5.9325  641.700  100.634  641.700  100.634  641.700  100.634   72.946   5.9325   72.946   5.9325 0.000000 0.000000 
1 1 1    2    9    1 o  213.751   11.657  5482.65  586.174  6219.00  828.495  4744.60  829.456  226.295   15.600  196.559   18.073 29.73625 23.87429 
1 1 1    2    9    2 o  152.050   8.0645  2754.59  288.517  2659.80  407.249  2850.10  408.804  148.658   11.696  154.005   11.321 -5.346924 16.27733 
1 1 1    2    9    3 o  279.682   15.087  9461.05  992.732  9526.80  1402.32  9395.00  1405.55  277.248   21.590  275.183   21.809 2.065521 30.68818 
1 1 1    2    9    4 o   86.110   4.6170  879.627   93.539  825.900  131.890  934.000  132.681   83.196   6.7722   88.555   6.3879 -5.358879 9.309625 
1 1 1    2    9    5 o  152.786   11.700  2802.20  418.922  2802.20  418.922   0.0000   0.0000  152.786   11.700  ?   ?  0.000000 11.70044 
1 1 1    2    9    6 o  251.219   19.327  7685.30  1137.73  7685.30  1137.73   0.0000   0.0000  251.219   19.327  ?   ?  0.000000 19.32732 
1 1 1    2    9    7 o  204.785   10.879  4999.60  524.169  5736.70  741.339  4262.70  741.234  218.632   14.441  187.720   16.903 30.91286 22.23180 
1 1 1    2    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9    9 o  275.099   14.608  9045.97  945.553  8993.30  1334.92  9099.00  1339.52  272.565   20.900  274.188   20.845 -1.622711 29.51812 
1 1 1    2    9   10 o  358.822   18.133 15455.93  1531.47 13652.90  2161.07 17274.90  2170.60  333.518   27.691  376.889   24.523 -43.37048 36.98856 
1 1 1    2    9   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9   12 o  274.445   14.579  9005.07  941.399  8839.70  1331.23  9170.50  1331.44  270.097   21.038  275.264   20.634 -5.166199 29.46817 
1 1 1    2    9   13 o  336.338   17.633 13594.53  1395.56 12324.70  1972.62 14866.90  1974.60  316.645   26.629  349.168   24.096 -32.52347 35.91311 
1 1 1    2    9   14 o  279.907   14.883  9383.88  980.158  9205.70  1385.90  9562.20  1386.41  275.118   21.504  280.581   21.079 -5.462616 30.11236 
1 1 1    2    9   15 o  245.538   13.013  7207.80  751.782  7474.50  1063.58  6941.50  1062.78  248.584   18.247  239.280   18.965 9.304031 26.31721 
1 1 1    2    9   16 o  386.690   30.841 18883.20  2792.70 18883.20  2792.70   0.0000   0.0000  386.690   30.841  ?   ?  0.000000 30.84080 
1 1 1    2    9   17 o  198.346   10.580  4699.25  493.753  4719.10  698.233  4679.40  698.313  197.599   15.078  196.741   15.148 0.8579712 21.37285 
1 1 1    2    9   18 o  203.828   10.887  4972.46  522.112  4983.20  738.049  4961.70  738.709  202.642   15.542  202.184   15.593 0.4583740 22.01604 
1 1 1    2    9   19 o   95.952   5.1639  1093.28  116.571  1054.50  164.601  1132.30  165.114   93.930   7.4831   97.392   7.2312 -3.462090 10.40612 
1 1 1    2    9   20 o  340.415   18.718 14311.97  1498.89 14598.00  2118.94 14025.50  2120.56  336.084   26.926  328.714   27.574 7.370270 38.54000 
1 1 1    2    9   21 o  107.406   5.7170  1371.93  144.476  1500.30  204.414  1243.80  204.226  112.002   7.7772  101.779   8.5774 10.22310 11.57828 
1 1 1    2    9   22 o   66.701   3.8015  528.124   59.628  551.000   84.283  505.200   84.370   67.969   5.2930   65.031   5.5473 2.938156 7.667387 
1 1 1    2    9   23 o  119.970   6.4687  1715.68  182.577  1694.90  258.074  1736.50  258.332  118.642   9.2858  120.124   9.1766 -1.482101 13.05516 
1 1 1    2    9   24 o  284.903   15.597 10010.00  1045.33  9941.40  1478.29 10078.60  1478.36  277.390   22.770  279.489   22.593 -2.099182 32.07675 
1 1 1    2    9   25 o   84.344   4.5204  845.409   89.703  719.500  126.788  971.600  126.930   77.413   7.0120   90.228   5.9915 -12.81567 9.223174 
1 1 1    2    9   26 o   90.397   4.9855  972.276  106.008  871.900  149.938  1072.60  149.898   85.152   7.5346   94.669   6.7496 -9.516502 10.11569 
1 1 1    2    9   27 o  175.512   9.4946  3715.64  392.036  3658.70  554.637  3772.50  554.208  172.180   13.756  174.981   13.518 -2.800430 19.28640 
1 1 1    2    9   28 o  147.521   7.0541  2598.49  245.731  1988.90  347.058  3211.30  347.975  127.351   11.671  163.166   9.0672 -35.81466 14.77896 
1 1 1    2    9   29 o   49.070   2.8865  285.901   33.299  254.700   47.055  317.200   47.128   46.126   4.3724   51.584   3.8978 -5.457714 5.857520 
1 1 1    2    9   30 o  165.221   8.6223  3306.75  335.230  2604.30  473.834  4010.70  474.339  143.487   14.170  180.480   11.185 -36.99380 18.05242 
1 1 1    2    9   31 o   32.262   2.2055  123.698   16.701  119.300   23.613  128.100   23.625   31.562   3.2130   32.734   3.0931 -1.171194 4.459936 
1 1 1    2    9   32 o   43.370   2.6875  223.700   27.387  227.200   38.730  220.200   38.734   43.553   3.8040   42.861   3.8688 0.6919861 5.425708 
1 1 1    2    9   33 o   97.540   5.2587  1145.11  120.674  1012.90  170.572  1277.60  170.747   90.555   8.0612  102.254   7.1158 -11.69891 10.75254 
1 1 1    2    9   34 o   98.667   5.4699  1178.05  126.943  1222.80  179.526  1133.30  179.523   99.358   7.7122   95.440   8.0407 3.918121 11.14138 
1 1 1    2    9   35 o   22.722   1.8627   61.548   9.9061   62.300   14.032   60.800   13.986   22.748   2.6627   22.464   2.6902 0.2838764 3.785067 
1 1 1    2    9   36 o   58.942   3.4244  416.489   47.456  463.200   67.122  369.800   67.106   61.793   4.6338   54.968   5.2332 6.825596 6.989840 
1 1 1    2    9   37 o   8.8974   1.6471   9.6741   3.3330   6.9000   4.7344   12.400   4.6931   7.6432   2.3738   10.043   2.0483 -2.399979 3.135333 
1 1 1    2    9   38 o   22.631   1.8586   61.144   9.8445   63.200   13.943   59.100   13.901   22.887   2.6276   22.105   2.7206 0.7822247 3.782300 
1 1 1    2    9   39 o   51.097   2.9842  313.328   35.850  353.000   50.746  273.800   50.654   53.905   4.0155   47.224   4.6009 6.681080 6.106804 
1 1 1    2    9   40 o   14.249   1.6762   24.414   5.5323   21.700   7.8445   27.100   7.8034   13.258   2.5985   14.916   2.2885 -1.658026 3.462619 
1 1 1    2    9   41 o   41.344   2.6052  205.480   25.304  222.200   35.808  188.800   35.764   42.668   3.5872   39.184   3.9178 3.484718 5.311965 
1 1 1    2    9   42 o   18.114   1.7571   39.409   7.4212   37.300   10.517   41.500   10.473   17.433   2.6372   18.448   2.4659 -1.015209 3.610494 
1 1 1    2    9   43 o   10.022   1.6321   12.257   3.7294   15.300   5.3123   9.3000   5.2370   11.133   2.0977   8.6781   2.4489 2.454638 3.224515 
1 1 1    2    9   44 o   15.032   1.6720   27.265   5.8343   29.900   8.3065   24.700   8.1965   15.603   2.3255   14.097   2.5565 1.506857 3.455948 
1 1 1    2    9   45 o   28.804   2.1063  100.145   14.227  103.900   20.133   96.400   20.108   29.032   2.9789   27.904   3.1042 1.128061 4.302334 
1 1 1    2    9   46 o   12.286   1.6494   18.336   4.6643   19.300   6.6469   17.400   6.5469   12.451   2.3468   11.790   2.4323 0.6611977 3.379894 
1 1 1    2    9   47 o   23.129   1.9042   64.594   10.307   67.300   14.592   61.900   14.562   23.359   2.6948   22.345   2.8228 1.014271 3.902575 
1 1 1    2    9   48 o   27.791   2.1365   93.876   13.913  104.500   19.607   83.100   19.746   28.992   2.9030   25.613   3.3448 3.379065 4.428854 
1 1 1    2    9   49 o   23.881   1.9536   69.342   10.920   68.300   15.385   70.400   15.502   23.326   2.8526   23.699   2.8258 -0.3728790 4.015279 
1 1 1    2    9   50 o   39.220   2.4920  190.336   22.959  225.100   32.546  155.900   32.392   41.946   3.3128   34.189   4.0937 7.757275 5.266206 
1 1 1    2    9   51 o   7.2773   1.7520   6.6598   2.9746   6.8000   4.0755   6.5000   4.3515   7.3778   2.1847   7.2731   2.2785 0.1046672 3.156693 
1 1 1    2    9   52 o   16.963   1.7614   35.242   6.9527   31.200   9.6002   39.700   10.083   15.578   2.7081   17.723   2.4770 -2.144996 3.670073 
1 1 1    2    9   53 o   16.592   2.5837   35.300   9.7932   35.300   9.7932   0.0000   0.0000   16.592   2.5837  ?   ?  0.000000 2.583681 
1 1 1    2    9   54 o   10.641   2.8405   15.200   7.2712   15.200   7.2712   0.0000   0.0000   10.641   2.8405  ?   ?  0.000000 2.840550 
1 1 1    2    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10    0 o  367.712   29.039 16802.20  2485.26 16802.20  2485.26 16802.20  2485.26  367.712   29.039  367.712   29.039 0.000000 0.000000 
1 1 1    2   10    1 o  214.603   11.472  5511.35  579.229  5510.60  817.771  5512.10  820.542  213.123   16.375  213.132   16.431 -0.8987427E-02 23.19691 
1 1 1    2   10    2 o  210.560   10.351  5278.61  514.657  4558.30  725.618  6007.80  730.073  193.933   15.988  223.474   13.904 -29.54097 21.18773 
1 1 1    2   10    3 o  189.506   9.8963  4281.92  441.318  4043.70  622.907  4522.00  625.334  183.107   14.526  193.900   13.747 -10.79271 19.99911 
1 1 1    2   10    4 o  295.815   23.003 10754.30  1594.17 10754.30  1594.17   0.0000   0.0000  295.815   23.003  ?   ?  0.000000 23.00280 
1 1 1    2   10    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10    6 o  232.289   17.728  6512.00  965.045  6512.00  965.045   0.0000   0.0000  232.289   17.728  ?   ?  0.000000 17.72754 
1 1 1    2   10    7 o  291.788   14.325 10149.29  987.049  8737.90  1392.22 11575.70  1399.61  268.104   22.190  309.873   19.222 -41.76886 29.35839 
1 1 1    2   10    8 o  225.131   10.178  6011.29  541.070  4663.70  761.611  7384.50  768.818  196.903   16.533  248.813   13.132 -51.90971 21.11389 
1 1 1    2   10    9 o  403.362   21.271 19634.90  2018.85 21688.60  2857.56 17588.30  2852.62  420.178   28.978  376.341   32.416 43.83704 43.47985 
1 1 1    2   10   10 o  336.370   25.918 13828.40  2042.78 13828.40  2042.78   0.0000   0.0000  336.370   25.918  ?   ?  0.000000 25.91801 
1 1 1    2   10   11 o  118.368   6.4038  1662.20  178.327  1695.10  251.988  1629.20  252.399  119.261   9.0144  116.880   9.2199 2.381027 12.89439 
1 1 1    2   10   12 o  237.967   12.778  6757.60  715.403  6977.20  1010.58  6537.00  1012.89  240.603   17.916  232.662   18.592 7.940750 25.81894 
1 1 1    2   10   13 o  282.330   15.015  9546.88  997.394  9811.50  1410.72  9282.40  1410.33  284.264   21.168  276.220   21.800 8.043793 30.38602 
1 1 1    2   10   14 o  329.644   17.585 13088.40  1363.86 13689.90  1929.03 12487.20  1928.54  334.036   24.630  318.327   25.880 15.70901 35.72692 
1 1 1    2   10   15 o   98.023   5.3209  1139.86  122.700  1072.70  173.474  1207.10  173.574   94.813   7.8180  100.672   7.3523 -5.859184 10.73207 
1 1 1    2   10   16 o  172.185   9.1510  3532.35  370.735  3652.30  524.519  3412.60  524.079  174.344   12.831  168.387   13.288 5.956665 18.47183 
1 1 1    2   10   17 o  195.739   10.376  4578.50  477.864  4311.70  675.552  4845.70  676.052  188.602   15.301  200.299   14.389 -11.69730 21.00395 
1 1 1    2   10   18 o  194.631   10.196  4531.37  466.966  4970.20  660.826  4093.70  659.953  202.765   13.885  183.434   15.378 19.33098 20.71910 
1 1 1    2   10   19 o  297.531   16.017 10791.98  1121.20 10553.90  1584.74 11030.60  1586.50  289.135   23.412  296.057   22.871 -6.922211 32.72916 
1 1 1    2   10   20 o  157.778   8.4271  2974.65  312.834  2927.80  442.159  3021.60  442.668  155.539   12.135  158.083   11.947 -2.544098 17.02859 
1 1 1    2   10   21 o  117.502   6.3821  1644.25  176.415  1678.90  249.316  1609.50  249.661  118.242   8.9968  115.711   9.2136 2.531174 12.87754 
1 1 1    2   10   22 o   94.593   5.1828  1064.01  115.326  1078.90  163.034  1049.10  163.158   94.920   7.3305   93.572   7.4458 1.348526 10.44873 
1 1 1    2   10   23 o  113.136   6.1236  1525.05  162.986  1507.50  230.483  1542.60  230.511  111.947   8.7897  113.275   8.6839 -1.328300 12.35592 
1 1 1    2   10   24 o  172.635   9.3171  3581.96  378.407  3509.50  535.362  3654.30  534.934  169.245   13.508  172.859   13.205 -3.612946 18.89055 
1 1 1    2   10   25 o   91.882   5.0663  1004.43  109.497  925.400  154.885  1083.40  154.819   87.762   7.5472   95.128   6.9401 -7.365372 10.25303 
1 1 1    2   10   26 o   82.975   4.5510  818.607   88.829  711.300  125.598  926.000  125.648   76.943   6.9890   88.037   6.0814 -11.09395 9.264434 
1 1 1    2   10   27 o  118.606   6.3733  1680.14  177.843  1583.90  251.430  1776.50  251.587  114.380   9.3919  121.341   8.8413 -6.961273 12.89869 
1 1 1    2   10   28 o  141.540   7.6204  2405.06  253.756  2226.80  358.825  2583.40  358.905  134.811   11.378  145.648   10.506 -10.83708 15.48674 
1 1 1    2   10   29 o   61.642   3.5337  451.647   51.221  419.400   72.434  483.900   72.441   59.148   5.2404   63.628   4.8581 -4.480968 7.145818 
1 1 1    2   10   30 o   32.448   2.1970  125.085   16.735  118.500   23.639  131.700   23.694   31.462   3.2276   33.207   3.0559 -1.745045 4.444769 
1 1 1    2   10   31 o   22.184   1.8313   58.583   9.5075   62.200   13.478   55.000   13.414   22.781   2.5492   21.380   2.7184 1.400648 3.726654 
1 1 1    2   10   32 o   78.951   4.3940  745.534   81.594  794.600  115.410  696.500  115.373   81.051   6.0742   75.717   6.5164 5.334869 8.908370 
1 1 1    2   10   33 o   60.041   3.4300  430.189   48.428  407.000   68.397  453.500   68.578   58.035   5.0410   61.354   4.7710 -3.318878 6.940747 
1 1 1    2   10   34 o   42.937   2.6676  219.693   26.913  216.100   38.024  223.300   38.098   42.374   3.8418   43.093   3.7823 -0.7182121 5.391249 
1 1 1    2   10   35 o   75.487   4.2279  685.915   75.060  753.400  106.178  618.500  106.123   78.492   5.7690   70.786   6.4187 7.705742 8.630264 
1 1 1    2   10   36 o   21.497   1.8273   55.143   9.1878   56.000   13.046   54.300   12.942   21.546   2.6179   21.207   2.6417 0.3384190 3.719130 
1 1 1    2   10   37 f   46.215   2.7496  255.329   29.871  286.400   42.293  224.400   42.196   48.720   3.7040   42.949   4.2149 5.770500 5.611136 
1 1 1    2   10   38 o   76.550   4.3396  711.384   78.121  745.500  110.505  677.300  110.454   77.356   6.0991   73.502   6.4285 3.854393 8.861403 
1 1 1    2   10   39 o   36.456   2.3817  158.937   20.390  168.000   28.856  149.900   28.816   37.269   3.3135   35.133   3.5207 2.135780 4.834749 
1 1 1    2   10   40 o   34.335   2.3241  141.160   18.732  136.700   26.520  145.600   26.462   33.521   3.3973   34.641   3.2738 -1.119766 4.718029 
1 1 1    2   10   41 o   30.960   2.1699  114.893   15.763  124.700   22.300  105.100   22.285   32.055   2.9803   29.320   3.2746 2.734369 4.427809 
1 1 1    2   10   42 o   45.579   2.8184  251.489   30.185  269.400   42.701  233.600   42.676   46.660   3.9117   43.260   4.2319 3.399788 5.762824 
1 1 1    2   10   43 o   69.078   4.0771  594.848   66.210  597.600   93.672  592.100   93.599   67.276   5.9580   66.933   5.9851 0.3431396 8.445127 
1 1 1    2   10   44 o   7.4642   1.6480   6.8993   2.8271   9.2000   4.0928   4.8000   3.9097   8.5934   2.0463   6.4994   2.1703 2.093997 2.982921 
1 1 1    2   10   45 o   13.901   1.6594   23.376   5.3392   31.200   7.5623   15.600   7.5393   16.001   2.0484   11.111   2.8575 4.890522 3.515880 
1 1 1    2   10   46 o   28.362   2.1373   97.302   14.209  103.500   20.011   91.000   20.179   28.944   2.9700   27.015   3.2271 1.929605 4.385767 
1 1 1    2   10   47 o   19.853   1.8418   47.634   8.5357   50.700   12.005   44.500   12.139   20.276   2.5647   18.897   2.8056 1.379015 3.801208 
1 1 1    2   10   48 o   38.400   2.5521  180.963   23.010  196.600   32.527  165.300   32.554   39.363   3.5372   35.797   3.9150 3.566547 5.276287 
1 1 1    2   10   49 o   33.705   2.3034  139.208   18.223  155.900   25.804  122.600   25.739   35.142   3.1428   30.825   3.6041 4.316990 4.781925 
1 1 1    2   10   50 o   15.008   1.7179   27.505   5.9785   26.200   8.4726   28.800   8.4372   14.350   2.5959   15.118   2.4470 -0.7678699 3.567452 
1 1 1    2   10   51 o   4.7476   1.6390   2.4829   2.2320   3.5000   3.1083   1.4000   3.2072   5.5996   1.9341   4.7222   1.8921 0.8773975 2.705695 
1 1 1    2   10   52 o   18.890   1.8770   43.832   8.2615   46.300   11.500   41.200   11.876   19.084   2.6212   17.836   2.9208 1.248348 3.924513 
1 1 1    2   10   53 o   16.917   2.6705   36.900   10.314   36.900   10.314   0.0000   0.0000   16.917   2.6705  ?   ?  0.000000 2.670473 
1 1 1    2   10   54 o   14.867   2.9313   29.700   9.9252   29.700   9.9252   0.0000   0.0000   14.867   2.9313  ?   ?  0.000000 2.931280 
1 1 1    2   10   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11    0 o  303.942   23.621 11279.70  1671.75 11279.70  1671.75 11279.70  1671.75  303.942   23.621  303.942   23.621 0.000000 0.000000 
1 1 1    2   11    1 o  179.929   9.4200  3852.67  398.841  4569.40  564.316  3137.30  563.778  195.485   12.287  161.284   14.974 34.20096 19.37015 
1 1 1    2   11    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11    3 o  184.085   8.8842  4017.95  386.188  3406.40  543.993  4639.30  548.337  168.452   13.797  197.140   11.834 -28.68777 18.17673 
1 1 1    2   11    4 o  326.637   16.464 12799.38  1265.82 11459.70  1785.22 14153.90  1795.09  305.886   24.933  341.283   22.399 -35.39758 33.51630 
1 1 1    2   11    5 o  333.053   25.686 13570.90  2004.47 13570.90  2004.47   0.0000   0.0000  333.053   25.686  ?   ?  0.000000 25.68576 
1 1 1    2   11    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11    7 o  154.945   8.3318  2851.17  303.724  3048.40  429.344  2653.60  429.716  159.829   11.452  148.930   12.330 10.89890 16.82768 
1 1 1    2   11    8 o  256.907   13.668  7877.16  826.209  9043.00  1168.41  6711.20  1168.46  274.234   18.146  235.226   21.266 39.00801 27.95564 
1 1 1    2   11    9 o  246.892   12.043  7243.25  702.122  6286.80  989.439  8213.40  996.499  228.308   18.512  261.747   16.202 -33.43913 24.60116 
1 1 1    2   11   10 o  235.050   12.561  6588.87  694.657  7279.50  982.205  5897.70  982.582  246.104   17.006  220.886   19.024 25.21860 25.51655 
1 1 1    2   11   11 o  250.591   13.488  7500.24  795.172  7930.30  1123.65  7068.80  1125.44  256.371   18.690  241.617   19.903 14.75345 27.30244 
1 1 1    2   11   12 o  361.675   17.583 15689.66  1501.68 13326.60  2117.24 18081.80  2130.22  328.606   27.539  385.242   23.530 -56.63626 36.22247 
1 1 1    2   11   13 o   55.072   3.2591  359.557   42.194  377.500   59.577  341.500   59.767   56.332   4.5168   53.535   4.7781 2.797264 6.575045 
1 1 1    2   11   14 o  416.052   33.235 21954.30  3237.94 21954.30  3237.94   0.0000   0.0000  416.052   33.235  ?   ?  0.000000 33.23525 
1 1 1    2   11   15 o  298.018   15.897 10707.30  1114.67 11333.60  1576.70 10081.50  1576.07  303.743   22.135  285.642   23.577 18.10117 32.33938 
1 1 1    2   11   16 o  302.400   16.224 11063.76  1154.31 10728.90  1632.21 11398.80  1632.67  293.790   23.730  303.349   22.963 -9.559174 33.02128 
1 1 1    2   11   17 o  226.872   12.119  6179.35  646.907  6407.30  914.964  5951.50  914.765  229.213   17.026  220.578   17.712 8.634857 24.56819 
1 1 1    2   11   18 o  123.914   6.6702  1827.02  194.456  1751.00  274.956  1903.10  275.048  120.772   9.7236  126.023   9.3085 -5.250824 13.46099 
1 1 1    2   11   19 o  184.759   9.7243  4088.95  422.760  4390.20  598.322  3788.60  597.424  190.262   13.403  176.285   14.480 13.97653 19.73080 
1 1 1    2   11   20 o  205.240   11.022  5069.49  532.207  5016.00  752.582  5123.00  752.726  202.108   15.897  204.350   15.720 -2.242798 22.35706 
1 1 1    2   11   21 o  163.243   8.6868  3190.29  333.650  3099.60  471.452  3281.30  472.255  159.689   12.605  164.458   12.248 -4.769760 17.57594 
1 1 1    2   11   22 o   57.776   3.1649  395.923   43.014  334.900   60.693  457.500   60.969   52.932   4.9118   62.021   4.1875 -9.089317 6.454495 
1 1 1    2   11   23 o  185.714   9.8053  4149.57  428.476  3723.00  605.619  4577.10  606.295  173.759   14.904  193.566   13.346 -19.80724 20.00644 
1 1 1    2   11   24 o  178.711   9.5805  3842.82  402.826  3923.40  569.974  3762.40  569.389  178.908   13.593  175.039   13.890 3.868973 19.43460 
1 1 1    2   11   25 f  110.061   5.9386  1443.76  153.768  1355.20  217.417  1532.40  217.506  106.030   8.7621  112.927   8.2129 -6.896698 12.00944 
1 1 1    2   11   26 o  135.974   7.3255  2212.98  234.342  2250.80  331.484  2175.20  331.333  136.213   10.384  133.829   10.571 2.383942 14.81782 
1 1 1    2   11   27 o  128.962   6.9297  1989.95  210.255  1870.00  297.285  2110.00  297.405  124.029   10.242  132.017   9.6060 -7.987389 14.04197 
1 1 1    2   11   28 o   85.049   4.6472  861.227   92.977  721.700  131.454  1000.90  131.523   77.334   7.2843   91.437   6.1269 -14.10298 9.518378 
1 1 1    2   11   29 o  100.054   5.4294  1195.80  127.796  1121.80  180.671  1269.90  180.791   96.237   8.0234  102.585   7.5156 -6.347450 10.99363 
1 1 1    2   11   30 o   82.015   4.5163  802.505   87.128  762.700  123.148  842.400  123.288   79.473   6.6224   83.636   6.2886 -4.163261 9.132554 
1 1 1    2   11   31 o   56.116   3.2723  374.843   43.174  368.500   61.024  381.200   61.090   55.397   4.7097   56.366   4.6308 -0.9685745 6.604937 
1 1 1    2   11   32 o   28.481   2.0935   96.522   13.981  100.900   19.723   92.100   19.821   29.020   2.9177   27.687   3.0841 1.332899 4.245544 
1 1 1    2   11   33 o   81.504   4.5484  797.789   87.189  750.000  123.290  845.600  123.318   78.231   6.7398   83.278   6.3181 -5.046738 9.238107 
1 1 1    2   11   34 o   20.565   1.7869   50.436   8.5907   53.600   12.176   47.300   12.122   21.109   2.4907   19.784   2.6624 1.325628 3.645854 
1 1 1    2   11   35 o   30.900   2.1590  113.795   15.655  116.300   22.163  111.300   22.116   31.097   3.0576   30.402   3.1251 0.6949844 4.372119 
1 1 1    2   11   36 o   13.641   1.6383   22.350   5.1716   22.000   7.3093   22.700   7.3182   13.410   2.3963   13.633   2.3587 -0.2231159 3.362356 
1 1 1    2   11   37 o   72.745   4.1189  639.725   70.463  668.900   99.693  610.600   99.608   73.572   5.7851   70.114   6.0764 3.458015 8.389821 
1 1 1    2   11   38 o   36.316   2.3949  157.602   20.422  156.900   28.919  158.300   28.844   36.006   3.4434   36.174   3.4172 -0.1685295 4.851153 
1 1 1    2   11   39 o   95.750   5.3822  1135.44  121.198  1194.70  171.491  1076.30  171.309   96.023   7.6260   90.620   8.0907 5.402267 11.11824 
1 1 1    2   11   40 f   13.104   1.6417   20.692   4.9683   23.400   7.0371   18.000   7.0154   13.843   2.2284   12.051   2.5451 1.791738 3.382776 
1 1 1    2   11   41 o   20.320   1.7985   49.497   8.5406   54.400   12.082   44.600   12.075   21.178   2.4618   19.079   2.7604 2.099138 3.698706 
1 1 1    2   11   42 o   58.578   3.4497  420.307   47.507  458.900   67.223  381.800   67.147   60.255   4.7634   54.525   5.2814 5.730087 7.112126 
1 1 1    2   11   43 o   17.561   1.6558   37.054   6.7852   45.100   9.6859   29.300   9.5080   19.281   2.1648   15.355   2.7220 3.926703 3.477851 
1 1 1    2   11   44 o   38.145   2.4907  176.439   22.312  183.700   31.578  169.200   31.529   38.433   3.5186   36.788   3.6787 1.645092 5.090527 
1 1 1    2   11   45 o   29.256   2.1448  103.418   14.714  111.100   20.784   95.700   20.834   30.024   2.9706   27.734   3.2424 2.289877 4.397419 
1 1 1    2   11   46 o   18.110   1.7264   39.556   7.2935   34.000   10.274   45.200   10.356   16.512   2.7304   19.215   2.3300 -2.702826 3.589405 
1 1 1    2   11   47 o   22.319   1.8450   60.148   9.6365   66.300   13.687   54.100   13.570   23.221   2.5374   20.847   2.8298 2.374025 3.800815 
1 1 1    2   11   48 o   4.0238   1.4400   1.6459   1.7341   5.6000   2.5036  -2.0000   2.4041   6.7071   1.6027   3.0486   1.4112 3.658578 2.135424 
1 1 1    2   11   49 o   34.956   2.3669  150.113   19.422  161.600   27.512  138.700   27.423   35.633   3.3073   32.776   3.6027 2.857082 4.890553 
1 1 1    2   11   50 o   26.602   2.0486   86.691   12.770   89.600   18.088   83.800   18.031   26.560   2.9330   25.611   3.0408 0.9484081 4.224815 
1 1 1    2   11   51 o   19.624   1.8379   47.137   8.4176   45.400   11.860   48.900   11.950   18.861   2.7431   19.636   2.6444 -0.7744255 3.810209 
1 1 1    2   11   52 o   6.4036   1.7804   5.1322   2.7895   2.5000   3.5022   9.7000   4.6135   5.2966   2.0185   8.7043   2.2335 -3.407658 3.010444 
1 1 1    2   11   53 o   19.402   2.7962   48.800   12.441   48.800   12.441   0.0000   0.0000   19.402   2.7962  ?   ?  0.000000 2.796180 
1 1 1    2   11   54 f   8.3810   2.8047   9.0000   6.5292   9.0000   6.5292   0.0000   0.0000   8.3810   2.8047  ?   ?  0.000000 2.804687 
1 1 1    2   11   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   11   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   12    0 o   81.161   6.5377  793.500  123.424  793.500  123.424  793.500  123.424   81.161   6.5377   81.161   6.5377 0.000000 0.000000 
1 1 1    2   12    1 o  146.088   7.8289  2533.99  269.088  2564.10  380.935  2504.00  380.163  146.545   11.090  144.790   11.206 1.755493 15.76640 
1 1 1    2   12    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   12    3 o   27.127   1.8651   87.306   11.875   66.900   16.598  108.700   16.995   23.603   3.0494   30.243   2.3995 -6.640390 3.880215 
1 1 1    2   12    4 o  226.083   11.576  6085.21  615.951  5597.40  869.142  6577.40  873.042  215.707   17.207  234.240   15.878 -18.53362 23.41284 
1 1 1    2   12    5 o   82.828   6.5289  816.500  126.662  816.500  126.662   0.0000   0.0000   82.828   6.5289  ?   ?  0.000000 6.528898 
1 1 1    2   12    6 o  231.674   10.893  6369.25  595.937  5260.30  839.300  7496.80  846.308  209.087   17.150  250.476   14.369 -41.38913 22.37386 
1 1 1    2   12    7 f  363.850   19.635 15937.42  1680.73 18124.30  2376.33 13748.40  2377.49  385.221   26.281  333.293   30.548 51.92752 40.29734 
1 1 1    2   12    8 o  212.324   11.110  5366.59  555.068  5134.20  783.544  5600.70  786.434  206.707   16.182  216.093   15.515 -9.386368 22.41820 
1 1 1    2   12    9 o  106.354   5.4552  1340.84  136.540  1167.70  192.512  1516.10  193.686   98.943   8.3168  112.943   7.3014 -14.00050 11.06707 
1 1 1    2   12   10 o  208.598   11.230  5183.73  551.120  5408.20  778.491  4958.20  780.315  212.206   15.646  202.960   16.422 9.246216 22.68248 
1 1 1    2   12   11 o  238.303   12.348  6775.31  692.485  6374.00  977.212  7180.10  981.445  229.720   18.163  244.188   17.129 -14.46815 24.96597 
1 1 1    2   12   12 o  419.389   22.704 21418.05  2240.05 21114.80  3167.90 21721.30  3167.92  409.561   33.037  415.826   32.522 -6.264435 46.35840 
1 1 1    2   12   13 o   42.349   2.6683  212.683   26.547  219.800   37.457  205.500   37.629   42.967   3.7287   41.519   3.8832 1.447681 5.383570 
1 1 1    2   12   14 o   73.891   4.1468  647.464   72.063  651.100  101.723  643.800  102.103   73.938   5.8747   73.513   5.9323 0.4245682 8.348933 
1 1 1    2   12   15 o  418.837   22.819 21647.35  2248.37 21327.10  3175.01 21969.50  3184.37  405.904   33.422  412.482   32.969 -6.578003 46.94655 
1 1 1    2   12   16 o  525.187   29.505 35277.51  3644.31 38116.80  5157.42 32446.10  5150.26  526.147   41.857  478.062   46.199 48.08438 62.34046 
1 1 1    2   12   17 o  155.309   8.3232  2876.96  304.137  2849.10  430.174  2904.80  430.055  153.736   11.943  155.272   11.818 -1.536682 16.80204 
1 1 1    2   12   18 o  119.635   6.4624  1703.26  181.886  1691.00  257.292  1715.50  257.161  118.715   9.2512  119.592   9.1762 -0.8768921 13.03026 
1 1 1    2   12   19 o  328.120   17.793 13276.80  1373.50 14386.00  1943.04 12169.00  1941.81  335.089   24.731  305.600   27.193 29.48941 36.75672 
1 1 1    2   12   20 o   55.091   3.2219  360.098   41.731  370.600   59.021  349.600   59.012   55.763   4.5213   54.133   4.6621 1.629917 6.494344 
1 1 1    2   12   21 o  146.334   7.7723  2559.01  267.605  2653.80  379.135  2464.90  377.770  148.177   10.912  142.656   11.307 5.520599 15.71395 
1 1 1    2   12   22 o  125.572   6.7781  1881.20  200.241  2054.80  283.182  1707.60  283.185  130.691   9.2355  118.832   10.191 11.85993 13.75292 
1 1 1    2   12   23 o  231.634   12.579  6525.94  685.440  7105.40  969.286  5946.30  969.430  238.665   17.317  216.973   19.117 21.69223 25.79368 
1 1 1    2   12   24 o   38.591   2.4674  176.745   22.367  173.500   31.609  180.000   31.653   38.126   3.5518   38.847   3.4878 -0.7208939 4.977974 
1 1 1    2   12   25 o   98.967   5.3404  1166.14  124.341  1082.40  175.778  1250.00  175.911   94.855   7.9202  102.106   7.3450 -7.251030 10.80176 
1 1 1    2   12   26 o  160.383   8.6376  3093.58  325.921  3145.10  460.987  3042.10  460.855  160.245   12.276  157.484   12.495 2.760849 17.51670 
1 1 1    2   12   27 o   75.742   4.2375  682.309   75.485  661.400  106.775  703.200  106.730   74.268   6.1436   76.631   5.9448 -2.362495 8.548907 
1 1 1    2   12   28 o   65.512   3.7182  510.244   57.283  476.300   81.003  544.200   81.018   63.023   5.4981   67.461   5.1242 -4.437805 7.515708 
1 1 1    2   12   29 o   92.702   5.0645  1026.05  110.443  996.700  156.062  1055.50  156.319   90.808   7.3407   93.524   7.1321 -2.715431 10.23487 
1 1 1    2   12   30 o   39.300   2.5101  183.551   23.172  183.900   32.743  183.200   32.797   39.206   3.5761   39.128   3.5897 0.7747269E-01 5.066983 
1 1 1    2   12   31 o   73.844   4.1456  651.245   71.994  670.900  101.829  631.600  101.801   74.544   5.8314   72.262   6.0208 2.282181 8.381829 
1 1 1    2   12   32 o   48.352   2.9145  278.448   33.122  265.800   46.837  291.100   46.845   47.002   4.2665   49.245   4.0648 -2.243526 5.892839 
1 1 1    2   12   33 o   43.283   2.6754  223.189   27.210  231.700   38.505  214.700   38.457   43.918   3.7487   42.234   3.9002 1.683945 5.409657 
1 1 1    2   12   34 f   88.831   4.7118  952.135   98.481  1102.30  139.420  802.600  139.127   94.836   6.2610   80.255   7.4255 14.58085 9.712782 
1 1 1    2   12   35 o   24.691   1.8734   72.650   10.842   84.800   15.364   60.600   15.301   26.605   2.4739   22.365   2.9708 4.239967 3.865995 
1 1 1    2   12   36 o   14.020   1.6537   23.600   5.3695   23.000   7.5936   24.200   7.5936   13.710   2.4347   14.083   2.3674 -0.3732347 3.395905 
1 1 1    2   12   37 o   61.807   3.5850  459.898   52.098  471.300   73.686  448.500   73.671   61.980   5.0793   60.390   5.2174 1.589508 7.281512 
1 1 1    2   12   38 o   47.195   2.8136  266.880   31.213  293.600   44.200  240.300   44.084   49.210   3.8339   44.351   4.2618 4.859356 5.732520 
1 1 1    2   12   39 o   33.626   2.2843  135.253   18.031  126.300   25.504  144.200   25.494   32.231   3.4024   34.526   3.1622 -2.294960 4.644986 
1 1 1    2   12   40 o   50.806   3.0357  311.520   36.253  352.200   51.289  270.900   51.251   53.574   4.0850   46.649   4.7175 6.924702 6.240338 
1 1 1    2   12   41 o   49.298   2.9739  294.214   34.457  310.500   48.784  278.000   48.675   50.068   4.1640   47.221   4.4166 2.847065 6.069998 
1 1 1    2   12   42 o   6.6113   1.6403   5.4066   2.5484   4.2000   3.6139   6.6000   3.5942   6.1511   2.0865   7.3196   2.0155 -1.168490 2.900989 
1 1 1    2   12   43 o   42.139   2.6647  215.527   26.379  208.400   37.244  222.700   37.366   40.801   3.9138   42.264   3.7841 -1.463539 5.444009 
1 1 1    2   12   44 o   34.796   2.3969  146.696   19.575  168.600   27.654  124.700   27.712   36.959   3.2002   31.460   3.8079 5.499781 4.974082 
1 1 1    2   12   45 o   16.598   1.7169   33.252   6.6319   35.600   9.3745   30.900   9.3834   17.012   2.4003   15.770   2.6112 1.242273 3.546794 
1 1 1    2   12   46 f   19.427   1.7915   45.550   8.1257   44.200   11.491   46.900   11.491   18.896   2.6482   19.503   2.5568 -0.6074562 3.681041 
1 1 1    2   12   47 f   37.480   2.4279  171.324   21.372  195.800   30.272  147.000   30.178   39.579   3.2683   33.907   3.8366 5.672638 5.039969 
1 1 1    2   12   48 f   44.938   2.8574  250.588   30.163  259.800   42.685  241.400   42.630   44.651   4.0940   42.859   4.2691 1.792080 5.914873 
1 1 1    2   12   49 o   15.670   1.7127   29.890   6.2345   32.000   8.8389   27.800   8.7950   15.997   2.4152   14.821   2.6082 1.175626 3.554699 
1 1 1    2   12   50 o   19.798   1.8033   47.814   8.3384   52.400   11.839   43.300   11.746   20.442   2.5049   18.432   2.7857 2.010635 3.746303 
1 1 1    2   12   51 o   11.651   1.7196   16.754   4.5889   17.100   6.4492   16.400   6.5309   11.549   2.4412   11.283   2.5154 0.2655983 3.505190 
1 1 1    2   12   52 o   15.297   2.5794   30.000   8.9856   30.000   8.9856   0.0000   0.0000   15.297   2.5794  ?   ?  0.000000 2.579378 
1 1 1    2   12   53 o   30.349   3.4047  123.700   23.979  123.700   23.979   0.0000   0.0000   30.349   3.4047  ?   ?  0.000000 3.404689 
1 1 1    2   12   54 o   3.5180   1.6437  -3.0000   3.3806  -3.0000   3.3806   0.0000   0.0000   3.5180   1.6437  ?   ?  0.000000 1.643651 
1 1 1    2   12   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   12   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13    0 o  184.061   14.248  4088.10  610.727  4088.10  610.727  4088.10  610.727  184.061   14.248  184.061   14.248 0.000000 0.000000 
1 1 1    2   13    1 o  135.229   5.8250  2162.19  186.007  2990.80  264.935  1356.70  261.212  158.990   7.0568  106.433   10.532 52.55744 12.67717 
1 1 1    2   13    2 o  388.500   30.252 18609.20  2753.37   0.0000   0.0000 18609.20  2753.37  ?   ?   388.500   30.252 0.000000 30.25159 
1 1 1    2   13    3 o  312.521   16.699 11700.79  1227.90 11827.50  1734.51 11573.50  1738.52  311.944   23.725  308.436   24.060 3.508240 33.79005 
1 1 1    2   13    4 o  352.332   19.036 14926.40  1577.84 16467.10  2230.47 13383.10  2232.35  367.371   25.877  329.644   28.973 37.72729 38.84620 
1 1 1    2   13    5 o  164.907   12.562  3251.30  485.473  3251.30  485.473   0.0000   0.0000  164.907   12.562  ?   ?  0.000000 12.56157 
1 1 1    2   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13    8 o  217.063   11.140  5610.13  569.072  5129.30  803.031  6095.20  806.559  206.443   16.614  225.473   15.238 -19.03078 22.54365 
1 1 1    2   13    9 o   85.191   4.8160  860.591   96.484  916.500  136.097  804.100  136.803   87.762   6.6158   82.115   7.1259 5.646698 9.723566 
1 1 1    2   13   10 o  324.410   16.560 12636.18  1264.39 11436.70  1784.00 13846.80  1792.26  305.353   24.960  337.247   22.637 -31.89413 33.69614 
1 1 1    2   13   11 o   95.127   5.1821  1073.19  115.966  1059.40  163.370  1087.20  164.637   94.292   7.3967   95.533   7.3547 -1.241516 10.43083 
1 1 1    2   13   12 o   72.237   4.0939  618.727   69.546  710.200   98.312  527.100   98.395   77.297   5.4205   66.431   6.3499 10.86666 8.348805 
1 1 1    2   13   13 o  283.711   15.373  9691.64  1026.09 10462.60  1450.33  8919.00  1451.91  292.332   21.153  268.870   23.092 23.46152 31.31628 
1 1 1    2   13   14 o  293.389   15.371 10384.36  1061.20  9799.40  1497.66 10974.20  1503.90  281.453   22.728  298.655   21.468 -17.20145 31.26424 
1 1 1    2   13   15 o   77.091   4.3196  705.079   78.317  714.500  110.588  695.600  110.927   77.423   6.0983   76.372   6.2045 1.050247 8.699726 
1 1 1    2   13   16 o  211.262   11.468  5356.87  569.971  5724.70  805.440  4987.90  806.682  216.844   15.839  201.833   17.086 15.01155 23.29860 
1 1 1    2   13   17 o   71.613   3.9944  608.512   67.277  582.800   95.075  634.300   95.215   69.880   5.8145   72.953   5.5692 -3.072670 8.051366 
1 1 1    2   13   18 o  255.692   13.800  7930.40  830.148  7922.50  1174.02  7938.30  1173.99  252.007   19.891  252.274   19.868 -0.2672424 28.11375 
1 1 1    2   13   19 o  132.123   7.1144  2081.40  221.144  2085.50  312.820  2077.30  312.669  131.594   10.145  131.329   10.161 0.2646637 14.35897 
1 1 1    2   13   20 o  151.329   7.9169  2736.80  281.919  2921.80  399.613  2553.50  397.782  155.536   10.950  145.117   11.708 10.41939 16.03072 
1 1 1    2   13   21 o  165.748   8.3910  3288.67  327.347  3655.00  464.429  2927.00  461.461  173.785   11.380  154.954   12.724 18.83093 17.07069 
1 1 1    2   13   22 o   51.758   3.0817  317.916   37.494  354.800   53.012  281.000   53.036   54.583   4.1439   48.471   4.6925 6.112518 6.260283 
1 1 1    2   13   23 f  100.648   5.5028  1205.97  130.288  1225.40  184.151  1186.50  184.358  101.048   7.7774   99.391   7.9208 1.656433 11.10082 
1 1 1    2   13   24 o  150.599   8.1248  2718.38  287.864  2760.40  406.972  2676.30  407.231  150.637   11.529  148.237   11.730 2.400848 16.44671 
1 1 1    2   13   25 o  178.942   9.6229  3862.21  405.118  4044.70  573.062  3679.90  572.785  181.322   13.480  172.538   14.184 8.783783 19.56825 
1 1 1    2   13   26 o   34.295   2.2918  139.648   18.453  145.200   26.102  134.100   26.092   34.883   3.2046   33.495   3.3436 1.388123 4.631293 
1 1 1    2   13   27 o   42.121   2.6221  210.641   25.951  207.100   36.652  214.200   36.748   41.639   3.7685   42.360   3.7113 -0.7208710 5.289185 
1 1 1    2   13   28 o  226.904   12.438  6372.07  663.889  6221.30  938.313  6523.20  939.450  218.407   18.364  224.197   17.894 -5.790421 25.64066 
1 1 1    2   13   29 o  104.115   5.5819  1297.76  136.733  1170.60  193.262  1425.20  193.479   97.994   8.4340  108.499   7.5997 -10.50517 11.35289 
1 1 1    2   13   30 o   83.363   4.6292  830.649   90.767  835.900  128.382  825.400  128.346   83.111   6.5958   82.571   6.6387 0.5399246 9.358202 
1 1 1    2   13   31 o   87.752   4.8332  923.310   99.765  970.900  141.148  875.800  141.029   89.359   6.7388   84.703   7.1169 4.656281 9.801140 
1 1 1    2   13   32 o   54.429   3.0839  353.065   39.473  395.000   55.913  311.400   55.733   57.371   4.1554   50.781   4.7011 6.589466 6.274409 
1 1 1    2   13   33 o   35.008   2.3212  145.941   19.080  140.200   26.963  151.700   27.003   34.143   3.3891   35.554   3.2524 -1.410194 4.697230 
1 1 1    2   13   34 o  126.585   7.0501  1985.20  209.900  2060.70  296.949  1909.80  296.739  125.977   10.066  120.768   10.510 5.208252 14.55321 
1 1 1    2   13   35 o   65.093   3.7112  509.113   56.807  543.000   80.382  475.300   80.294   66.709   5.1425   62.233   5.5212 4.476280 7.545115 
1 1 1    2   13   36 o   58.269   3.3838  407.625   46.358  431.300   65.594  384.000   65.526   59.492   4.7077   55.999   5.0082 3.492352 6.873437 
1 1 1    2   13   37 o   62.135   3.5862  465.024   52.394  481.000   74.158  449.100   74.036   62.595   5.0604   60.386   5.2442 2.209042 7.287648 
1 1 1    2   13   38 o   22.248   1.8692   59.159   9.7288   54.500   13.772   63.800   13.745   21.177   2.8245   22.991   2.5760 -1.813948 3.822799 
1 1 1    2   13   39 o   55.499   3.2929  371.851   42.961  371.400   60.794  372.300   60.718   54.827   4.7425   54.900   4.7298 -0.7342148E-01 6.697953 
1 1 1    2   13   40 f   37.034   2.4355  164.703   21.180  162.900   29.982  166.500   29.925   36.500   3.5223   36.921   3.4732 -0.4214439 4.946711 
1 1 1    2   13   41 o   15.488   1.7355   28.898   6.2382   36.200   8.7934   21.500   8.8513   17.264   2.2076   13.096   2.9348 4.167167 3.672444 
1 1 1    2   13   42 o   47.260   2.9292  271.655   32.528  273.900   45.948  269.400   46.055   46.743   4.2080   46.323   4.2580 0.4198990 5.986422 
1 1 1    2   13   43 o   24.133   1.9404   70.105   10.964   72.900   15.492   67.300   15.520   24.388   2.7373   23.378   2.8718 1.009874 3.967375 
1 1 1    2   13   44 o   28.363   2.0792   97.040   13.828  108.600   19.565   85.500   19.547   29.759   2.8177   26.221   3.2249 3.537971 4.282451 
1 1 1    2   13   45 o   24.825   1.9661   74.354   11.431   77.400   16.156   71.300   16.177   25.073   2.7753   24.004   2.9137 1.069613 4.023929 
1 1 1    2   13   46 o   5.0929   1.5926   3.0699   2.1270   3.4000   3.1716   2.8000   2.8675   5.6130   1.9528   5.2042   1.8529 0.4087563 2.691961 
1 1 1    2   13   47 o   21.834   1.8417   57.663   9.4067   68.200   13.327   47.200   13.279   23.562   2.4302   19.350   3.0036 4.211422 3.863656 
1 1 1    2   13   48 o   25.561   1.9816   79.425   11.867   89.500   16.804   69.400   16.762   26.832   2.6883   23.397   3.1111 3.434933 4.111655 
1 1 1    2   13   49 o   18.658   1.7216   42.294   7.4995   52.200   10.663   32.600   10.549   20.560   2.2322   15.938   2.9103 4.622287 3.667765 
1 1 1    2   13   50 o   7.9284   1.7277   7.8811   3.1432   3.2000   4.2557   13.500   4.6625   5.8913   2.2298   10.372   1.9758 -4.481140 2.979211 
1 1 1    2   13   51 o   15.092   1.7242   27.903   6.0344   25.300   8.4598   30.600   8.6099   14.027   2.6513   15.556   2.4228 -1.529442 3.591531 
1 1 1    2   13   52 f   14.777   2.5303   28.000   8.5119   28.000   8.5119   0.0000   0.0000   14.777   2.5303  ?   ?  0.000000 2.530310 
1 1 1    2   13   53 o   16.919   2.7154   37.400   10.482   37.400   10.482   0.0000   0.0000   16.919   2.7154  ?   ?  0.000000 2.715425 
1 1 1    2   13   54 o   11.586   2.8445   18.500   7.7251   18.500   7.7251   0.0000   0.0000   11.586   2.8445  ?   ?  0.000000 2.844538 
1 1 1    2   13   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   14    0 o  256.248   19.790  7955.60  1181.08  7955.60  1181.08  7955.60  1181.08  256.248   19.790  256.248   19.790 0.000000 0.000000 
1 1 1    2   14    1 o  327.335   17.255 12851.07  1329.03 13709.70  1881.70 11996.40  1877.36  335.773   23.888  313.305   25.599 22.46817 35.01392 
1 1 1    2   14    2 o  224.670   9.5760  5983.94  508.030  8135.70  722.725  3882.20  714.275  261.708   11.695  179.395   17.067 82.31216 20.68941 
1 1 1    2   14    3 o  225.019   11.772  6031.50  623.332  5789.90  879.618  6275.20  883.443  219.370   17.116  228.581   16.478 -9.211014 23.75878 
1 1 1    2   14    4 o  278.462   13.786  9234.38  906.492  8055.40  1278.46 10426.40  1285.51  257.763   21.192  294.300   18.594 -36.53714 28.19241 
1 1 1    2   14    5 o  135.771   10.379  2199.90  330.245  2199.90  330.245   0.0000   0.0000  135.771   10.379  ?   ?  0.000000 10.37933 
1 1 1    2   14    6 o  235.540   12.672  6618.98  702.244  7715.10  992.836  5521.60  993.410  253.426   16.684  213.368   19.948 40.05875 26.00558 
1 1 1    2   14    7 o   44.116   2.7308  230.750   28.308  230.800   39.868  230.700   40.200   44.027   3.8743   44.014   3.9086 0.1312637E-01 5.503366 
1 1 1    2   14    8 f   89.434   4.7717  948.154  100.407  898.400  141.164  999.100  142.845   86.847   6.9414   91.646   6.6458 -4.798798 9.609932 
1 1 1    2   14    9 o  250.669   13.516  7513.54  797.104  8576.20  1126.88  6449.40  1127.67  266.599   18.006  230.096   20.985 36.50340 27.65114 
1 1 1    2   14   10 o   98.724   4.8232  1152.32  112.441  960.500  158.110  1348.60  159.937   89.732   7.5315  106.557   6.3857 -16.82487 9.874288 
1 1 1    2   14   11 o  237.414   12.815  6745.33  715.753  7040.40  1011.06  6448.90  1013.40  241.062   17.889  230.352   18.794 10.70953 25.94722 
1 1 1    2   14   12 o   49.939   2.9372  295.653   34.484  369.500   48.800  222.000   48.736   55.790   3.7257   43.049   4.8805 12.74021 6.140062 
1 1 1    2   14   13 o   94.856   5.2340  1067.96  116.782  1095.00  164.832  1040.70  165.480   95.814   7.3412   93.363   7.5713 2.451202 10.54595 
1 1 1    2   14   14 o  175.842   9.3500  3690.16  386.841  3628.20  546.012  3752.60  548.146  173.372   13.442  176.387   13.257 -3.015717 18.87982 
1 1 1    2   14   15 o  207.189   11.261  5149.56  548.875  5807.50  775.895  4490.50  776.560  218.721   15.116  191.334   17.377 27.38693 23.03154 
1 1 1    2   14   16 o  120.330   6.2465  1721.87  176.879  1578.30  249.303  1867.40  250.994  114.680   9.2858  124.946   8.5586 -10.26544 12.62841 
1 1 1    2   14   17 o   55.311   3.2775  362.961   42.616  394.800   60.210  331.000   60.326   57.581   4.4631   52.640   4.9098 4.940800 6.635173 
1 1 1    2   14   18 o  250.562   13.476  7616.13  794.393  7194.60  1122.61  8038.90  1124.27  239.695   20.017  254.245   18.861 -14.54997 27.50309 
1 1 1    2   14   19 o   55.763   3.0718  368.762   40.293  408.900   57.486  330.000   56.492   58.626   4.1799   52.587   4.5955 6.039299 6.212079 
1 1 1    2   14   20 o  123.799   6.6899  1827.51  194.844  1864.40  275.524  1790.60  275.577  124.446   9.4464  121.893   9.6531 2.553352 13.50624 
1 1 1    2   14   21 o  128.713   6.9385  1977.29  210.110  2060.50  297.164  1894.10  297.116  130.745   9.6942  125.204   10.136 5.540489 14.02593 
1 1 1    2   14   22 o  116.301   6.0246  1611.25  164.885  1880.90  233.401  1342.60  232.965  125.292   7.9298  105.418   9.4593 19.87461 12.34344 
1 1 1    2   14   23 o   71.163   3.8050  601.180   63.708  703.100   90.239  499.900   89.956   76.835   5.0009   64.592   5.9652 12.24270 7.784103 
1 1 1    2   14   24 o  189.342   9.2464  4303.39  413.411  5300.50  585.583  3312.60  583.723  208.689   11.933  163.183   15.328 45.50555 19.42517 
1 1 1    2   14   25 o  176.430   9.6645  3758.13  401.107  3952.30  566.694  3563.20  567.811  179.098   13.499  169.567   14.315 9.531296 19.67556 
1 1 1    2   14   26 o   67.129   3.9261  535.798   61.964  571.400   87.389  499.800   87.873   69.123   5.3967   64.546   5.8282 4.576332 7.943085 
1 1 1    2   14   27 o   37.964   2.4234  171.129   21.612  157.200   30.541  185.100   30.587   36.246   3.6165   39.397   3.3187 -3.150963 4.908465 
1 1 1    2   14   28 o   90.218   4.9367  971.406  104.771  892.900  148.126  1050.00  148.210   85.910   7.3732   93.379   6.7674 -7.468903 10.00807 
1 1 1    2   14   29 o   94.368   5.1802  1065.69  114.991  1029.10  162.588  1102.30  162.656   92.041   7.5472   95.369   7.2777 -3.328079 10.48451 
1 1 1    2   14   30 o   50.555   3.0150  304.150   35.829  303.300   50.679  305.000   50.660   50.278   4.3103   50.423   4.2958 -0.1443977 6.085425 
1 1 1    2   14   31 o   76.035   4.2156  691.840   75.393  750.200  106.677  633.600  106.567   78.736   5.7780   72.149   6.3187 6.586914 8.562207 
1 1 1    2   14   32 o   23.245   1.8479   64.351   10.059   75.400   14.258   53.400   14.194   25.101   2.4361   21.001   2.9431 4.099625 3.820528 
1 1 1    2   14   33 o   88.182   4.9024  939.422  101.679  906.700  143.735  972.200  143.856   85.529   7.1834   88.732   6.9205 -3.202744 9.974660 
1 1 1    2   14   34 o   65.770   3.7448  519.422   57.919  553.500   81.943  485.400   81.876   67.393   5.1891   62.937   5.5666 4.455425 7.610079 
1 1 1    2   14   35 o   73.438   4.1095  650.481   70.978  707.000  100.439  594.100  100.316   75.877   5.6461   69.246   6.2007 6.631210 8.386139 
1 1 1    2   14   36 o   45.933   2.8148  252.447   30.383  237.600   42.964  267.300   42.973   44.207   4.1649   46.988   3.9084 -2.781017 5.711580 
1 1 1    2   14   37 o   59.096   3.4557  420.449   48.014  423.400   67.908  417.500   67.897   58.721   4.9434   58.291   4.9805 0.4298973 7.017355 
1 1 1    2   14   38 o   47.706   2.9108  273.300   32.634  246.100   46.151  300.500   46.151   44.766   4.4238   49.685   3.9668 -4.918720 5.941837 
1 1 1    2   14   39 o   28.862   2.0497   99.633   13.878  119.500   19.660   79.900   19.594   31.491   2.6690   25.543   3.3276 5.948050 4.265700 
1 1 1    2   14   40 o   40.278   2.5854  195.303   24.460  195.900   34.518  194.700   34.667   39.943   3.7017   39.807   3.7315 0.1360703 5.256150 
1 1 1    2   14   41 o   24.113   1.9285   69.802   10.889   67.800   15.405   71.800   15.393   23.541   2.8279   24.261   2.7346 -0.7197285 3.933844 
1 1 1    2   14   42 o   21.488   1.8171   55.478   9.1338   61.500   12.940   49.500   12.894   22.473   2.4798   20.045   2.8006 2.427883 3.740711 
1 1 1    2   14   43 o   20.050   1.8080   48.404   8.4679   47.600   12.007   49.200   11.945   19.665   2.6533   20.018   2.5875 -0.3524036 3.706111 
1 1 1    2   14   44 o   21.617   1.8112   56.249   9.1602   66.100   12.989   46.500   12.921   23.289   2.3960   19.334   2.9212 3.954994 3.778132 
1 1 1    2   14   45 o   21.092   1.8372   53.644   9.0588   55.300   12.835   52.000   12.787   21.196   2.6203   20.517   2.7053 0.6788998 3.766258 
1 1 1    2   14   46 f   30.746   2.1880  114.594   15.782  118.100   22.336  111.100   22.301   30.814   3.1124   29.827   3.2172 0.9865589 4.476291 
1 1 1    2   14   47 o   27.970   2.0494   94.935   13.441  112.300   19.045   77.700   18.973   30.143   2.7044   24.740   3.3326 5.403345 4.291844 
1 1 1    2   14   48 o   32.974   2.3103  133.254   17.876  151.500   25.277  115.000   25.283   34.662   3.1217   29.809   3.6693 4.852961 4.817591 
1 1 1    2   14   49 o   14.321   1.7179   25.069   5.6934   28.100   8.0267   22.000   8.0769   14.968   2.3483   13.089   2.7027 1.878495 3.580336 
1 1 1    2   14   50 o   17.247   1.9097   36.567   7.6468   40.300   10.414   32.200   11.265   17.859   2.5410   15.658   3.1556 2.200722 4.051476 
1 1 1    2   14   51 o   19.321   1.9275   45.915   8.6768   52.600   12.084   38.800   12.467   20.394   2.5660   17.164   3.1934 3.230148 4.096619 
1 1 1    2   14   52 o   14.805   2.5659   28.200   8.6453   28.200   8.6453   0.0000   0.0000   14.805   2.5659  ?   ?  0.000000 2.565950 
1 1 1    2   14   53 o   12.742   2.6564   21.500   7.7337   21.500   7.7337   0.0000   0.0000   12.742   2.6564  ?   ?  0.000000 2.656431 
1 1 1    2   14   54 o   10.444   2.6163   14.900   6.4387   14.900   6.4387   0.0000   0.0000   10.444   2.6163  ?   ?  0.000000 2.616281 
1 1 1    2   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   15    0 o  377.940   29.424 17502.40  2589.32 17502.40  2589.32 17502.40  2589.32  377.940   29.424  377.940   29.424 0.000000 0.000000 
1 1 1    2   15    1 o  447.815   35.555 25211.40  3728.82 25211.40  3728.82   0.0000   0.0000  447.815   35.555  ?   ?  0.000000 35.55482 
1 1 1    2   15    2 f  232.902   11.458  6444.30  630.149  7885.90  893.175  5015.60  889.168  256.697   14.798  203.611   18.703 53.08505 23.84875 
1 1 1    2   15    3 o   86.088   4.2327  875.771   86.045  1096.90  122.225  658.500  121.154   96.168   5.4042   74.268   6.9906 21.90015 8.835986 
1 1 1    2   15    4 o  384.514   30.093 18326.40  2710.58 18326.40  2710.58   0.0000   0.0000  384.514   30.093  ?   ?  0.000000 30.09297 
1 1 1    2   15    5 o  383.671   20.705 17802.86  1868.87 21434.40  2642.74 14170.00  2643.22  417.749   26.934  335.508   33.825 82.24112 43.23824 
1 1 1    2   15    6 o  203.415   10.977  4930.03  525.299  5312.60  742.326  4546.30  743.447  210.370   15.043  194.220   16.363 16.14919 22.22660 
1 1 1    2   15    7 o  125.834   6.1955  1873.41  184.092  2486.40  260.696  1263.70  259.997  144.686   7.6576  102.558   10.903 42.12816 13.32349 
1 1 1    2   15    8 o  215.184   10.740  5503.42  545.726  4896.50  769.272  6118.30  774.298  201.476   16.309  225.802   14.600 -24.32530 21.88952 
1 1 1    2   15    9 o  190.806   9.6124  4334.19  431.706  3804.50  609.036  4869.10  612.024  177.736   14.642  201.620   12.923 -23.88365 19.52897 
1 1 1    2   15   10 o  377.127   20.312 17318.94  1802.17 17114.30  2545.21 17524.70  2552.11  368.793   29.473  373.443   29.173 -4.650360 41.46912 
1 1 1    2   15   11 o  137.801   7.2168  2257.07  234.018  2120.00  330.084  2395.60  331.824  133.016   10.597  141.557   9.9911 -8.541367 14.56415 
1 1 1    2   15   12 o  310.794   14.927 11619.68  1095.49  9600.90  1544.11 13665.60  1554.45  277.722   23.775  334.189   19.786 -56.46689 30.93090 
1 1 1    2   15   13 o   89.083   4.8299  941.754  101.219  912.200  142.676  971.700  143.620   87.425   6.9691   90.272   6.7872 -2.847664 9.728029 
1 1 1    2   15   14 o  246.842   13.495  7351.90  783.598  8013.10  1107.34  6688.70  1109.01  255.381   18.488  232.205   20.434 23.17603 27.55581 
1 1 1    2   15   15 o  269.700   14.379  8817.74  912.407  8542.50  1288.11  9094.90  1292.58  261.619   21.028  270.418   20.392 -8.798615 29.29231 
1 1 1    2   15   16 o  221.682   11.899  5922.26  620.612  6087.00  878.448  5758.10  876.909  222.526   16.842  216.151   17.326 6.375351 24.16318 
1 1 1    2   15   17 o  266.810   14.489  8666.21  909.430  8637.70  1285.25  8694.80  1287.01  262.146   20.937  263.051   20.892 -0.9048767 29.57747 
1 1 1    2   15   18 o   85.543   4.6159  869.177   92.895  813.400  131.055  925.500  131.696   82.450   6.7918   88.048   6.3773 -5.598610 9.316566 
1 1 1    2   15   19 o  104.163   5.7732  1291.55  141.447  1415.30  199.832  1167.30  200.240  108.695   7.8382   98.485   8.6998 10.21007 11.71002 
1 1 1    2   15   20 o   28.823   2.1153   98.686   14.297  121.800   20.203   75.500   20.234   31.986   2.7000   25.018   3.5226 6.968113 4.438345 
1 1 1    2   15   21 o  176.342   9.2430  3734.78  383.545  4201.10  542.778  3269.70  542.051  185.808   12.443  163.067   14.219 22.74078 18.89467 
1 1 1    2   15   22 o   97.987   5.4465  1143.04  125.525  1358.10  177.441  927.600  177.598  106.548   7.0931   87.639   8.6967 18.90866 11.22250 
1 1 1    2   15   23 o  125.423   6.4074  1876.50  189.136  2212.70  267.818  1542.00  267.140  135.747   8.3963  112.762   10.141 22.98428 13.16577 
1 1 1    2   15   24 o  158.234   8.4991  3008.46  316.401  3209.80  447.562  2807.30  447.355  162.191   11.766  151.249   12.642 10.94270 17.26981 
1 1 1    2   15   25 o  105.836   5.5747  1335.33  138.829  1540.60  196.510  1130.80  196.157  113.308   7.3849   96.682   8.6847 16.62582 11.40004 
1 1 1    2   15   26 o   82.547   4.5673  811.239   88.681  881.000  125.423  741.500  125.404   85.736   6.2379   78.494   6.8338 7.241753 9.252739 
1 1 1    2   15   27 o   61.749   3.5344  453.337   51.321  445.300   72.519  461.400   72.639   60.970   5.0833   62.085   4.9971 -1.114456 7.128196 
1 1 1    2   15   28 o   56.248   3.2468  376.217   42.941  402.900   60.766  349.600   60.691   58.037   4.4683   53.979   4.8118 4.057922 6.566564 
1 1 1    2   15   29 o   75.769   4.2295  685.231   75.372  651.800  106.562  718.700  106.622   73.433   6.2034   77.218   5.8919 -3.785362 8.555512 
1 1 1    2   15   30 o   56.305   3.2873  377.748   43.517  387.300   61.548  368.200   61.536   56.764   4.6322   55.310   4.7579 1.453812 6.640369 
1 1 1    2   15   31 o   56.815   3.2653  385.005   43.623  421.900   61.730  348.200   61.655   59.236   4.4455   53.669   4.9197 5.567066 6.630706 
1 1 1    2   15   32 o  120.546   6.6802  1779.34  189.411  1822.60  267.892  1736.10  267.843  119.818   9.5477  116.700   9.8106 3.117790 13.68962 
1 1 1    2   15   33 o   13.798   1.6503   22.855   5.2703   18.500   7.4580   27.200   7.4487   12.244   2.6558   14.993   2.1668 -2.748626 3.427610 
1 1 1    2   15   34 f   91.955   5.0804  1027.82  109.888  1107.40  155.487  948.400  155.322   94.243   7.0377   86.757   7.6604 7.485901 10.40242 
1 1 1    2   15   35 o   61.943   3.5912  461.250   52.303  461.400   73.992  461.100   73.943   61.381   5.1526   61.361   5.1508 0.1931763E-01 7.285659 
1 1 1    2   15   36 o   28.881   2.0948   99.552   14.189  103.100   20.060   96.000   20.072   29.245   2.9450   28.184   3.0654 1.060089 4.250793 
1 1 1    2   15   37 o   72.270   4.1337  633.994   70.251  625.400   99.318  642.600   99.384   70.723   6.0038   71.750   5.9187 -1.026924 8.430687 
1 1 1    2   15   38 o   40.730   2.5882  198.847   24.764  206.700   35.029  191.000   35.014   41.236   3.6345   39.577   3.7930 1.659721 5.253260 
1 1 1    2   15   39 o   89.902   5.1433  1009.26  108.734  1079.90  153.818  938.700  153.729   90.636   7.2476   83.729   7.8676 6.906609 10.69702 
1 1 1    2   15   40 o   42.541   2.6998  218.413   26.981  212.500   38.200  224.300   38.113   41.453   3.9503   42.657   3.8244 -1.203617 5.498273 
1 1 1    2   15   41 o   15.624   1.6894   29.394   6.1336   32.100   8.6840   26.700   8.6645   16.200   2.3377   14.688   2.5929 1.512293 3.491152 
1 1 1    2   15   42 o   47.215   2.9283  271.851   32.488  262.500   45.947  281.200   45.942   45.556   4.3229   47.278   4.1575 -1.721691 5.997707 
1 1 1    2   15   43 o   67.424   4.0304  570.711   63.875  555.800   90.366  585.600   90.300   64.248   6.0268   66.206   5.8357 -1.958420 8.389159 
1 1 1    2   15   44 o   30.856   2.1881  115.093   15.840  119.100   22.419  111.100   22.382   31.036   3.1005   29.914   3.2193 1.122194 4.469618 
1 1 1    2   15   45 o   38.257   2.4954  178.078   22.420  195.200   31.727  161.000   31.686   39.554   3.4308   35.669   3.8214 3.885399 5.135569 
1 1 1    2   15   46 f   22.490   1.8779   61.136   9.8817   64.000   14.009   58.300   13.941   22.758   2.6568   21.659   2.7907 1.099483 3.853119 
1 1 1    2   15   47 o   20.310   1.8287   50.004   8.6761   52.200   12.257   47.800   12.282   20.496   2.5904   19.545   2.7362 0.9512749 3.767874 
1 1 1    2   15   48 o   12.203   1.6015   18.165   4.5036   24.500   6.4668   12.200   6.2754   14.094   1.9991   9.7777   2.6512 4.316675 3.320431 
1 1 1    2   15   49 o   15.343   1.7456   28.775   6.2120   37.400   8.7725   20.100   8.7978   17.364   2.1881   12.392   3.0315 4.972337 3.738689 
1 1 1    2   15   50 o   13.510   1.7958   22.481   5.5871   20.900   7.4601   24.500   8.4315   12.761   2.5646   13.796   2.6848 -1.034629 3.712890 
1 1 1    2   15   51 o   13.121   1.7392   21.217   5.2558   18.600   7.2592   24.100   7.6195   11.969   2.6394   13.746   2.4367 -1.776904 3.592216 
1 1 1    2   15   52 o   9.8572   2.5306   12.700   5.9205   12.700   5.9205   0.0000   0.0000   9.8572   2.5306  ?   ?  0.000000 2.530613 
1 1 1    2   15   53 f   10.869   2.6085   15.800   6.6099   15.800   6.6099   0.0000   0.0000   10.869   2.6085  ?   ?  0.000000 2.608537 
1 1 1    2   15   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   15   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16    0 o  123.881   9.7102  1849.40  280.036  1849.40  280.036  1849.40  280.036  123.881   9.7102  123.881   9.7102 -0.000000 0.000000 
1 1 1    2   16    1 o  427.307   22.068 22155.98  2219.14 19130.10  3132.41 25204.90  3144.31  389.519   34.409  451.011   29.690 -61.49176 45.44784 
1 1 1    2   16    2 o  415.185   22.411 20942.33  2189.04 21136.70  3097.12 20748.30  3094.42  411.085   32.162  407.058   32.463 4.027283 45.69703 
1 1 1    2   16    3 o  171.536   9.0798  3498.95  366.475  3239.40  517.677  3759.70  518.873  164.318   13.460  177.289   12.474 -12.97127 18.35099 
1 1 1    2   16    4 f  386.992   30.470 18673.00  2761.89 18673.00  2761.89   0.0000   0.0000  386.992   30.470  ?   ?  0.000000 30.46984 
1 1 1    2   16    5 o  361.637   19.255 15806.09  1638.41 16789.40  2319.14 14826.30  2314.98  368.824   26.812  345.431   28.639 23.39368 39.23101 
1 1 1    2   16    6 o  126.523   6.9763  1901.23  207.624  2048.60  293.145  1752.90  294.105  131.026   9.5401  121.020   10.392 10.00648 14.10734 
1 1 1    2   16    7 f  120.084   4.9870  1705.26  141.411  1161.90  198.040  2270.50  201.990   98.601   8.5915  138.506   6.1759 -39.90483 10.58094 
1 1 1    2   16    8 o  332.496   17.976 13379.99  1406.10 13579.60  1985.85 13179.30  1991.20  330.871   25.617  325.628   26.116 5.243591 36.58202 
1 1 1    2   16    9 o  180.571   9.3255  3884.91  396.278  3586.20  559.124  4186.40  561.727  172.517   13.842  186.733   12.817 -14.21561 18.86425 
1 1 1    2   16   10 o  164.067   7.7073  3193.49  298.595  2582.50  420.303  3816.10  424.280  146.508   12.262  178.764   10.092 -32.25598 15.88088 
1 1 1    2   16   11 o  129.293   5.8943  1979.77  179.956  1466.40  253.211  2503.70  255.800  110.553   9.8012  145.070   7.4928 -34.51777 12.33715 
1 1 1    2   16   12 o   88.999   5.0142  940.447  104.949  1026.60  148.166  853.700  148.675   92.791   6.8096   84.469   7.5328 8.321533 10.15454 
1 1 1    2   16   13 o  141.221   7.3590  2374.71  244.554  2081.70  345.186  2670.00  346.522  131.433   11.230  149.279   9.8864 -17.84561 14.96164 
1 1 1    2   16   14 o  157.690   8.4942  2969.29  315.126  3354.50  445.605  2583.90  445.706  166.916   11.373  145.920   13.074 20.99666 17.32845 
1 1 1    2   16   15 o  173.483   9.2962  3602.31  379.438  3781.30  536.971  3423.80  536.243  176.641   12.964  167.801   13.652 8.839798 18.82648 
1 1 1    2   16   16 o   42.995   2.6933  219.329   27.207  225.100   38.381  213.500   38.572   43.459   3.7776   42.301   3.9056 1.157330 5.433594 
1 1 1    2   16   17 o  130.594   7.1326  2034.41  219.121  2150.40  309.536  1917.90  310.233  133.662   9.8771  126.024   10.521 7.637604 14.43085 
1 1 1    2   16   18 o  156.853   8.5409  2945.75  315.152  3201.10  445.427  2689.80  445.957  162.569   11.681  148.555   12.839 14.01453 17.35765 
1 1 1    2   16   19 o   62.283   3.6639  460.581   53.649  542.300   75.788  378.500   75.956   67.480   4.7873   56.172   5.8104 11.30843 7.528543 
1 1 1    2   16   20 o  122.822   6.6248  1799.35  191.427  2067.90  270.745  1530.90  270.693  131.209   8.7893  112.421   10.312 18.78777 13.54936 
1 1 1    2   16   21 o  207.359   16.325  5340.60  792.902  5340.60  792.902   0.0000   0.0000  207.359   16.325  ?   ?  0.000000 16.32532 
1 1 1    2   16   22 o  192.926   10.569  4497.78  479.674  4971.10  677.981  4023.40  678.743  200.931   14.384  179.690   16.169 21.24167 21.64167 
1 1 1    2   16   23 o  127.713   6.7451  1948.62  202.694  2178.20  286.858  1719.70  286.447  134.422   9.0906  119.011   10.294 15.41174 13.73355 
1 1 1    2   16   24 o   84.854   4.6317  856.549   92.455  966.900  130.811  746.400  130.691   89.916   6.1987   78.774   7.1022 11.14182 9.426871 
1 1 1    2   16   25 o  109.257   5.7599  1424.67  148.078  1618.40  209.621  1231.70  209.208  115.997   7.6966  100.803   8.8797 15.19431 11.75106 
1 1 1    2   16   26 o  127.882   6.9753  1962.91  209.842  2070.80  296.679  1854.90  296.844  130.383   9.7057  123.119   10.305 7.263634 14.15614 
1 1 1    2   16   27 o  138.149   7.4373  2301.67  241.727  2204.50  341.632  2399.10  342.075  133.587   10.926  139.649   10.449 -6.062271 15.11807 
1 1 1    2   16   28 o  122.968   6.7231  1823.07  194.479  1959.10  275.018  1687.00  275.053  126.324   9.2847  116.781   10.073 9.542862 13.69913 
1 1 1    2   16   29 o   43.508   2.6843  225.142   27.443  216.900   38.791  233.400   38.830   42.525   3.9066   44.150   3.7603 -1.624935 5.422350 
1 1 1    2   16   30 o  105.678   5.8189  1349.19  144.646  1382.60  204.580  1315.80  204.541  105.787   8.2550  103.060   8.4800 2.727013 11.83455 
1 1 1    2   16   31 f  121.124   6.6980  1792.74  190.831  1909.80  269.883  1675.70  269.870  123.093   9.3550  114.698   10.066 8.395042 13.74181 
1 1 1    2   16   32 o   75.873   4.2829  692.252   76.420  688.700  108.096  695.800  108.051   74.959   6.1615   75.363   6.1247 -0.4038010 8.687670 
1 1 1    2   16   33 o   50.734   3.0359  307.700   36.203  307.500   51.191  307.900   51.207   50.394   4.3442   50.428   4.3426 -0.3334808E-01 6.142540 
1 1 1    2   16   34 o   75.441   4.2520  687.165   75.438  664.500  106.603  709.900  106.767   73.270   6.2202   75.861   6.0093 -2.591423 8.648851 
1 1 1    2   16   35 o   44.175   2.7329  233.341   28.368  226.400   40.093  240.300   40.142   43.207   3.9742   44.558   3.8531 -1.351337 5.535356 
1 1 1    2   16   36 o   6.3707   1.6182   4.9942   2.4391   6.0000   3.4595   4.0000   3.4394   7.0225   1.9934   6.0234   2.0355 0.9991746 2.849038 
1 1 1    2   16   37 o   80.391   4.5820  790.150   86.621  810.900  122.501  769.400  122.501   80.051   6.5376   77.808   6.7338 2.243271 9.385308 
1 1 1    2   16   38 o   37.845   2.4508  171.681   21.785  179.500   30.846  163.900   30.771   38.429   3.4353   36.656   3.6014 1.773243 4.977113 
1 1 1    2   16   39 o   38.206   2.4815  175.446   22.266  170.000   31.477  180.900   31.502   37.236   3.6259   38.466   3.5066 -1.230206 5.044128 
1 1 1    2   16   40 o   31.587   2.2164  119.955   16.427  115.100   23.243  124.800   23.220   30.619   3.2651   31.948   3.1176 -1.328854 4.514428 
1 1 1    2   16   41 o   45.711   2.8454  253.799   30.561  260.000   43.224  247.600   43.215   45.625   4.0542   44.449   4.1658 1.175758 5.813008 
1 1 1    2   16   42 o   39.419   2.5533  188.390   23.639  197.200   33.450  179.600   33.412   39.834   3.5949   37.901   3.7838 1.933361 5.219249 
1 1 1    2   16   43 o   20.066   1.7996   48.493   8.4366   49.800   11.962   47.200   11.900   20.136   2.5747   19.576   2.6418 0.5605335 3.688986 
1 1 1    2   16   44 o   31.274   2.1842  118.223   16.029  129.900   22.695  106.600   22.643   32.469   2.9937   29.238   3.3395 3.230736 4.484941 
1 1 1    2   16   45 o   24.872   1.9655   74.699   11.450   75.200   16.206   74.200   16.178   24.667   2.8337   24.494   2.8505 0.1730385 4.019348 
1 1 1    2   16   46 o   29.468   2.1619  105.517   14.938  112.700   21.101   98.300   21.151   30.071   3.0122   27.937   3.2679 2.133636 4.444363 
1 1 1    2   16   47 o   33.207   2.3298  135.020   18.153  144.100   25.645  125.900   25.700   33.750   3.2583   31.349   3.5334 2.401588 4.806399 
1 1 1    2   16   48 o   33.256   2.2846  135.887   17.832  154.700   25.261  117.200   25.177   34.943   3.0935   30.006   3.6269 4.937002 4.766955 
1 1 1    2   16   49 o   20.838   1.8099   52.956   8.8175   64.300   12.522   41.800   12.418   22.733   2.3675   17.980   3.0327 4.753122 3.847388 
1 1 1    2   16   50 o   26.216   2.0286   84.385   12.460   79.500   17.341   89.600   17.917   24.882   3.0128   26.499   2.9112 -1.617247 4.189532 
1 1 1    2   16   51 o   4.9726   1.8082   2.5165   2.7477   7.0000   3.4468  -5.3000   4.5510   7.4327   1.9423   3.8775   1.8406 3.555166 2.675849 
1 1 1    2   16   52 o  ?   ?   -9.0000   0.9476  -9.0000   0.9476   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   16   53 o   16.365   2.7171   35.800   10.132   35.800   10.132   0.0000   0.0000   16.365   2.7171  ?   ?  0.000000 2.717115 
1 1 1    2   16   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   16   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   17    0 o   54.759   4.6924  362.000   59.650  362.000   59.650  362.000   59.650   54.759   4.6924   54.759   4.6924 0.000000 0.000000 
1 1 1    2   17    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   17    2 o  150.474   6.4085  2680.04  227.709  3647.70  325.216  1749.40  318.934  175.439   7.8502  120.735   11.319 54.70427 13.77472 
1 1 1    2   17    3 o  345.164   18.572 14409.21  1508.14 14167.10  2132.46 14651.50  2133.22  337.860   26.953  343.911   26.471 -6.051208 37.77843 
1 1 1    2   17    4 o  103.248   5.2794  1264.18  128.284  1034.90  180.846  1496.40  182.001   93.048   8.3185  112.195   6.9032 -19.14713 10.80980 
1 1 1    2   17    5 o  212.500   11.336  5393.15  566.768  5015.80  801.314  5770.90  801.748  203.500   16.826  218.738   15.625 -15.23831 22.96228 
1 1 1    2   17    6 o  232.319   12.499  6462.21  683.179  6662.60  965.175  6261.00  967.151  234.339   17.570  226.904   18.204 7.434464 25.29989 
1 1 1    2   17    7 o  148.112   7.2328  2600.44  252.964  2163.40  356.548  3043.40  358.954  134.239   11.355  159.714   9.5617 -25.47519 14.84427 
1 1 1    2   17    8 o  235.110   12.420  6626.16  687.109  6433.20  969.629  6820.80  973.823  229.756   18.017  236.803   17.540 -7.046921 25.14458 
1 1 1    2   17    9 o   51.350   3.0846  312.703   37.229  328.200   52.560  297.100   52.739   52.508   4.2762   49.915   4.5236 2.593239 6.224846 
1 1 1    2   17   10 o   42.684   2.7567  216.158   27.636  249.400   38.963  182.500   39.206   45.788   3.6334   39.043   4.3251 6.745094 5.648778 
1 1 1    2   17   11 o  185.912   9.6141  4130.35  420.619  3512.90  593.959  4751.50  595.735  169.933   14.954  198.556   12.774 -28.62245 19.66714 
1 1 1    2   17   12 o   38.870   2.4459  179.212   22.336  199.700   31.775  159.200   31.403   40.968   3.3130   36.506   3.6937 4.461479 4.961765 
1 1 1    2   17   13 o  116.198   6.3772  1606.73  174.310  1910.40  246.419  1302.60  246.605  126.411   8.3013  103.908   10.181 22.50314 13.13665 
1 1 1    2   17   14 o  109.123   5.9176  1416.33  151.914  1520.60  214.862  1312.10  214.816  112.725   8.1264  104.546   8.7830 8.179504 11.96578 
1 1 1    2   17   15 o  206.079   11.211  5113.62  543.500  5342.50  767.763  4883.70  769.491  208.743   15.691  199.135   16.513 9.608047 22.77897 
1 1 1    2   17   16 o  137.989   7.4499  2272.79  241.849  2286.60  341.569  2258.90  342.484  137.655   10.589  136.787   10.688 0.8681488 15.04556 
1 1 1    2   17   17 o  212.216   16.636  5571.50  826.970  5571.50  826.970   0.0000   0.0000  212.216   16.636  ?   ?  0.000000 16.63572 
1 1 1    2   17   18 o  112.205   8.7223  1513.30  229.287  1513.30  229.287   0.0000   0.0000  112.205   8.7223  ?   ?  0.000000 8.722326 
1 1 1    2   17   19 o  194.746   10.610  4574.56  486.085  4720.40  686.468  4427.90  688.393  195.825   14.959  189.327   15.535 6.497513 21.56588 
1 1 1    2   17   20 o  127.228   6.9878  1932.92  209.131  2083.80  295.487  1781.50  296.024  131.479   9.5834  121.278   10.438 10.20112 14.17052 
1 1 1    2   17   21 f  212.619   11.547  5481.74  577.587  6426.80  816.771  4536.40  816.891  228.087   15.253  189.479   18.493 38.60773 23.97178 
1 1 1    2   17   22 o   80.592   4.5386  772.375   86.021  838.400  121.537  706.100  121.767   83.729   6.1910   76.694   6.7940 7.035019 9.191664 
1 1 1    2   17   23 f  206.398   11.185  5175.14  543.109  6030.90  768.098  4319.50  768.045  220.559   14.834  184.534   17.849 36.02473 23.20834 
1 1 1    2   17   24 o   43.408   2.7136  223.726   27.676  263.300   39.127  184.100   39.152   47.021   3.5500   39.169   4.3040 7.851849 5.579198 
1 1 1    2   17   25 o  195.254   10.775  4654.29  494.860  4803.80  698.801  4503.90  700.879  195.191   15.283  188.484   15.896 6.707321 22.05104 
1 1 1    2   17   26 o  177.654   9.6396  3846.27  402.873  4002.40  569.990  3690.40  569.507  178.511   13.625  170.909   14.241 7.601822 19.70900 
1 1 1    2   17   27 o   32.651   2.2109  126.680   16.945  120.700   23.925  132.700   24.004   31.747   3.2367   33.323   3.0856 -1.576498 4.471786 
1 1 1    2   17   28 o   46.916   2.8379  261.788   31.292  254.800   44.215  268.800   44.292   46.098   4.1048   47.375   3.9966 -1.277214 5.729035 
1 1 1    2   17   29 o   94.076   5.2125  1063.91  115.342  1073.90  163.019  1053.90  163.218   93.668   7.4313   92.748   7.5171 0.9196014 10.57031 
1 1 1    2   17   30 o   94.820   5.2531  1084.24  117.161  1116.70  165.703  1051.80  165.678   95.254   7.4255   92.304   7.6707 2.950401 10.67604 
1 1 1    2   17   31 o   52.430   3.1180  328.147   38.429  327.100   54.270  329.200   54.424   52.051   4.4584   52.219   4.4562 -0.1685028 6.303614 
1 1 1    2   17   32 o   75.140   4.2455  679.791   75.022  670.400  106.044  689.200  106.150   73.848   6.1367   74.922   6.0516 -1.074753 8.618625 
1 1 1    2   17   33 o   20.904   1.8229   52.157   8.9081   46.200   12.605   58.100   12.591   19.505   2.8185   21.979   2.4687 -2.473257 3.746747 
1 1 1    2   17   34 o   22.855   1.8623   62.327   9.9633   51.200   14.076   73.500   14.105   20.510   2.9945   24.747   2.4457 -4.237169 3.866302 
1 1 1    2   17   35 o   75.537   4.2906  691.494   76.216  674.800  107.765  708.200  107.806   73.562   6.2635   75.472   6.1013 -1.910385 8.743968 
1 1 1    2   17   36 f   52.869   3.1534  335.899   39.189  334.100   55.410  337.700   55.432   52.245   4.5365   52.537   4.5120 -0.2925949 6.398248 
1 1 1    2   17   37 o   5.0427   1.5575   3.0027   2.0414   8.2000   2.9619  -1.7000   2.8174   8.1780   1.5910   3.4790   1.5792 4.698970 2.241728 
1 1 1    2   17   38 o   36.860   2.4248  163.000   20.988  159.100   29.681  166.900   29.681   36.098   3.5271   37.011   3.4353 -0.9127350 4.923631 
1 1 1    2   17   39 o   77.828   4.5224  753.002   82.754  761.900  117.019  744.100  117.045   76.223   6.5655   75.217   6.6586 1.005859 9.351082 
1 1 1    2   17   40 o   46.643   2.8841  263.945   31.610  266.500   44.751  261.400   44.656   46.223   4.1439   45.755   4.1792 0.4680214 5.885387 
1 1 1    2   17   41 o   32.416   2.2440  126.694   17.071  138.800   24.148  114.600   24.137   33.640   3.0739   30.405   3.4212 3.235123 4.599275 
1 1 1    2   17   42 o   21.403   1.8468   55.145   9.2427   62.900   13.075   47.400   13.067   22.705   2.4791   19.543   2.9212 3.161757 3.831354 
1 1 1    2   17   43 o   16.489   1.7252   32.810   6.6180   36.200   9.3450   29.400   9.3737   17.175   2.3670   15.363   2.6814 1.812028 3.576685 
1 1 1    2   17   44 o   18.946   1.7860   43.305   7.8959   44.800   11.149   41.800   11.185   19.073   2.5384   18.377   2.6543 0.6954098 3.672709 
1 1 1    2   17   45 o   15.730   1.7109   29.943   6.2528   35.200   8.8483   24.700   8.8373   16.927   2.2710   13.993   2.7725 2.933208 3.583886 
1 1 1    2   17   46 o   33.942   2.2606  140.324   18.015  169.100   25.534  111.800   25.422   36.886   2.9563   29.507   3.7320 7.379034 4.761036 
1 1 1    2   17   47 o   26.263   2.0415   84.008   12.562   88.500   17.749   79.500   17.780   26.574   2.8743   25.074   3.0669 1.500225 4.203243 
1 1 1    2   17   48 o   9.2602   1.7125   10.650   3.6067   13.800   5.1007   7.5000   5.1007   10.462   2.1369   7.8200   2.4694 2.642174 3.265576 
1 1 1    2   17   49 o   19.138   1.9555   44.989   8.7132   57.100   12.181   32.300   12.468   21.358   2.4602   15.542   3.4836 5.816809 4.264789 
1 1 1    2   17   50 o   14.201   1.9236   24.972   6.2844   29.700   8.4761   19.200   9.3653   15.316   2.4243   12.005   3.2320 3.311205 4.040123 
1 1 1    2   17   51 o   10.733   2.4329   14.900   6.0238   14.900   6.0238   0.0000   0.0000   10.733   2.4329  ?   ?  0.000000 2.432883 
1 1 1    2   17   52 f   30.290   3.4624  125.400   24.320  125.400   24.320   0.0000   0.0000   30.290   3.4624  ?   ?  0.000000 3.462432 
1 1 1    2   17   53 o   31.192   3.7066  142.100   26.766  142.100   26.766   0.0000   0.0000   31.192   3.7066  ?   ?  0.000000 3.706575 
1 1 1    2   17   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   18    0 o  288.077   22.432 10150.50  1504.66 10150.50  1504.66 10150.50  1504.66  288.077   22.432  288.077   22.432 0.000000 0.000000 
1 1 1    2   18    1 o   79.024   4.1269  740.232   76.742  897.100  108.975  585.900  108.091   86.914   5.3356   70.023   6.6155 16.89081 8.498994 
1 1 1    2   18    2 o  313.293   16.867 11865.65  1243.19 11878.30  1758.23 11853.00  1758.05  309.670   24.238  309.323   24.264 0.3474731 34.29561 
1 1 1    2   18    3 o   81.823   4.5577  794.170   87.712  764.900  124.085  823.400  124.002   80.084   6.6210   83.141   6.3645 -3.056343 9.183899 
1 1 1    2   18    4 o   27.040   2.0372   86.847   12.912   85.000   18.247   88.700   18.274   26.660   2.9478   27.248   2.8839 -0.5882301 4.123928 
1 1 1    2   18    5 o   78.663   4.4394  734.085   82.125  591.400  116.197  876.500  116.087   70.276   7.0994   85.853   5.7596 -15.57681 9.141865 
1 1 1    2   18    6 o  167.930   8.8395  3360.77  349.289  3033.20  493.345  3690.00  494.596  158.562   13.299  175.315   12.020 -16.75348 17.92598 
1 1 1    2   18    7 o  155.690   8.3550  2887.94  306.040  2857.10  432.700  2918.80  432.911  154.122   11.984  155.816   11.855 -1.694611 16.85654 
1 1 1    2   18    8 o   85.486   4.6982  867.253   94.475  836.500  133.399  898.200  133.818   83.713   6.8073   86.795   6.5780 -3.082138 9.466236 
1 1 1    2   18    9 o   82.629   4.5366  810.235   88.178  717.300  124.560  903.600  124.847   77.455   6.8819   87.105   6.1084 -9.649368 9.201869 
1 1 1    2   18   10 o  209.999   11.414  5296.13  563.875  5721.10  796.847  4869.90  798.034  216.700   15.678  199.242   17.129 17.45738 23.22054 
1 1 1    2   18   11 o  107.410   5.7910  1371.45  146.336  1335.20  206.528  1408.00  207.374  105.588   8.3514  108.480   8.1552 -2.891800 11.67274 
1 1 1    2   18   12 o  190.868   10.406  4371.53  467.219  4616.20  659.966  4125.70  661.532  194.726   14.456  183.660   15.396 11.06638 21.11874 
1 1 1    2   18   13 o  252.063   19.880  7928.50  1173.65  7928.50  1173.65   0.0000   0.0000  252.063   19.880  ?   ?  0.000000 19.87951 
1 1 1    2   18   14 o  118.972   9.2125  1700.50  256.794  1700.50  256.794   0.0000   0.0000  118.972   9.2125  ?   ?  0.000000 9.212473 
1 1 1    2   18   15 o   25.628   2.0234   78.077   12.146   83.500   17.057   72.500   17.299   26.434   2.7740   24.576   3.0462 1.857811 4.119947 
1 1 1    2   18   16 o  186.940   10.154  4203.22  446.538  4406.40  631.009  3999.40  631.991  189.793   14.182  180.410   14.970 9.383270 20.62146 
1 1 1    2   18   17 o  167.611   9.1240  3370.64  359.757  3514.70  508.180  3225.90  509.369  169.895   12.760  162.475   13.396 7.420166 18.50072 
1 1 1    2   18   18 o   35.513   2.3979  149.721   19.990  162.700   28.194  136.600   28.348   36.945   3.2653   33.787   3.6090 3.158863 4.866919 
1 1 1    2   18   19 o  114.418   6.2163  1560.41  167.322  1572.90  236.501  1547.90  236.757  114.333   8.8283  113.395   8.9137 0.9380493 12.54564 
1 1 1    2   18   20 o  174.029   9.3109  3641.49  381.240  4298.00  539.264  2985.50  539.046  187.920   12.219  155.325   14.879 32.59473 19.25309 
1 1 1    2   18   21 o  139.409   7.6706  2327.56  251.540  2467.60  355.210  2186.70  356.254  142.649   10.621  133.979   11.368 8.669708 15.55765 
1 1 1    2   18   22 o  155.150   8.4494  2892.00  308.389  3250.80  436.008  2532.80  436.249  163.407   11.370  143.456   13.020 19.95100 17.28595 
1 1 1    2   18   23 o   64.379   3.7463  492.582   56.706  600.500   80.145  384.400   80.243   70.966   4.8110   56.494   6.1125 14.47199 7.778708 
1 1 1    2   18   24 o  149.037   8.2364  2676.42  288.737  2843.20  407.769  2508.70  408.905  152.234   11.427  142.541   12.268 9.693008 16.76520 
1 1 1    2   18   25 o   40.361   2.5689  193.500   24.356  245.600   34.445  141.400   34.445   45.423   3.2324   34.237   4.3595 11.18622 5.427117 
1 1 1    2   18   26 o   91.714   4.8542  1004.38  104.753  913.800  147.561  1096.40  148.732   86.859   7.2610   95.381   6.6452 -8.521133 9.842764 
1 1 1    2   18   27 o   27.570   2.0093   90.374   12.991   84.300   18.260   96.600   18.486   26.506   2.9682   28.420   2.7905 -1.913988 4.073988 
1 1 1    2   18   28 o  108.597   6.1516  1424.36  157.102  1521.70  221.766  1326.30  222.589  111.139   8.5149  103.350   9.2176 7.789909 12.54859 
1 1 1    2   18   29 o   28.687   2.0194   97.888   13.592   86.500   19.130  109.500   19.317   26.815   3.0768   30.261   2.7327 -3.446318 4.115149 
1 1 1    2   18   30 o   23.551   1.7877   66.015   9.8675   54.200   13.713   78.700   14.209   21.182   2.8110   25.657   2.3722 -4.474714 3.678216 
1 1 1    2   18   31 o   55.079   3.2445  362.652   42.011  351.100   59.419  374.200   59.407   53.821   4.7231   55.622   4.5632 -1.801247 6.567359 
1 1 1    2   18   32 o   95.382   5.3299  1107.10  119.566  1111.80  169.142  1102.40  169.043   94.107   7.6784   93.683   7.7099 0.4235229 10.88118 
1 1 1    2   18   33 o   74.732   4.2411  674.382   74.534  702.400  105.441  646.400  105.374   75.470   5.9653   72.238   6.2386 3.231720 8.631614 
1 1 1    2   18   34 o   69.216   3.9511  578.091   64.311  557.000   90.929  599.200   90.969   67.115   5.7942   69.744   5.5701 -2.628670 8.037354 
1 1 1    2   18   35 o   50.209   3.0072  302.285   35.490  282.700   50.171  321.900   50.209   48.103   4.4679   51.462   4.1676 -3.359386 6.109921 
1 1 1    2   18   36 o   59.660   3.4892  429.498   48.941  422.600   69.205  436.400   69.221   58.492   5.0604   59.489   4.9732 -0.9975281 7.095078 
1 1 1    2   18   37 o   61.350   3.5815  456.339   51.660  472.000   73.082  440.700   73.033   61.604   5.0689   59.399   5.2613 2.205437 7.305810 
1 1 1    2   18   38 o   28.879   2.1149   99.962   14.322  103.800   20.223   96.100   20.285   29.222   2.9720   28.067   3.1131 1.155169 4.303981 
1 1 1    2   18   39 o   24.468   1.9513   71.853   11.180   74.400   15.804   69.300   15.819   24.707   2.7557   23.803   2.8725 0.9043026 3.980608 
1 1 1    2   18   40 o   84.683   4.9979  913.300   99.499  991.700  140.712  834.900  140.712   85.271   7.0515   77.015   7.8470 8.256386 10.54989 
1 1 1    2   18   41 o   28.744   2.1097   99.547   14.220  103.300   20.117   95.800   20.103   29.002   2.9799   27.872   3.1073 1.129965 4.305211 
1 1 1    2   18   42 o   32.390   2.2466  126.733   17.076  123.100   24.095  130.400   24.205   31.519   3.2856   32.489   3.1964 -0.9697704 4.583896 
1 1 1    2   18   43 o   21.842   1.8776   57.509   9.5900   64.200   13.554   50.800   13.571   22.898   2.5499   20.219   2.9277 2.679714 3.882473 
1 1 1    2   18   44 o   31.505   2.2303  120.200   16.485  120.400   23.302  120.000   23.324   31.119   3.2176   31.063   3.2269 0.5661011E-01 4.556901 
1 1 1    2   18   45 f   3.6497   1.4377   0.9004   1.8216   5.2000   2.4127  -4.8000   2.7781   6.4693   1.5905   2.7694   1.3455 3.699884 2.083324 
1 1 1    2   18   46 o   21.716   1.8766   57.202   9.5285   57.700   13.445   56.700   13.506   21.510   2.7070   21.303   2.7489 0.2071114 3.858019 
1 1 1    2   18   47 o   12.726   1.6901   19.800   4.9532   25.300   7.0048   14.300   7.0048   14.281   2.1433   10.550   2.7747 3.730999 3.506104 
1 1 1    2   18   48 f   44.681   2.8442  250.980   29.852  300.000   42.247  202.100   42.187   47.789   3.7745   38.033   4.8046 9.756092 6.109888 
1 1 1    2   18   49 o   15.948   1.7882   31.161   6.6182   33.700   9.2522   28.500   9.4706   16.336   2.4761   14.866   2.8006 1.470191 3.738225 
1 1 1    2   18   50 o   21.377   1.9386   56.187   9.6792   61.500   13.580   50.700   13.800   21.998   2.6689   19.732   3.0608 2.265734 4.060939 
1 1 1    2   18   51 o   15.190   2.6307   29.900   9.0946   29.900   9.0946   0.0000   0.0000   15.190   2.6307  ?   ?  0.000000 2.630720 
1 1 1    2   18   52 o   33.663   3.8044  161.600   29.711  161.600   29.711   0.0000   0.0000   33.663   3.8044  ?   ?  0.000000 3.804405 
1 1 1    2   18   53 o   15.140   2.6766   31.200   9.2189   31.200   9.2189   0.0000   0.0000   15.140   2.6766  ?   ?  0.000000 2.676590 
1 1 1    2   18   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   18   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   19    0 o  366.759   29.038 16742.30  2478.61 16742.30  2478.61 16742.30  2478.61  366.759   29.038  366.759   29.038 -0.000000 0.000000 
1 1 1    2   19    1 o  366.013   19.705 16393.88  1696.84 17760.70  2401.43 15031.00  2397.97  375.066   27.302  342.681   29.935 32.38519 40.51500 
1 1 1    2   19    2 o  446.987   37.686 26658.10  3940.60   0.0000   0.0000 26658.10  3940.60  ?   ?   446.987   37.686 0.000000 37.68559 
1 1 1    2   19    3 o  118.175   6.2876  1659.36  174.827  1484.90  246.830  1835.00  247.656  111.301   9.4819  123.976   8.5111 -12.67485 12.74149 
1 1 1    2   19    4 o  196.910   10.308  4635.33  477.620  4053.40  674.521  5220.50  676.395  182.545   15.804  207.994   13.851 -25.44916 21.01465 
1 1 1    2   19    5 o  321.422   25.565 13031.90  1924.35   0.0000   0.0000 13031.90  1924.35  ?   ?   321.422   25.565 0.000000 25.56528 
1 1 1    2   19    6 o  195.791   15.077  4655.00  691.715   0.0000   0.0000  4655.00  691.715  ?   ?   195.791   15.077 0.000000 15.07740 
1 1 1    2   19    7 o  102.461   7.9935  1255.30  191.870  1255.30  191.870   0.0000   0.0000  102.461   7.9935  ?   ?  0.000000 7.993481 
1 1 1    2   19    8 o  133.003   10.244  2125.10  319.252  2125.10  319.252   0.0000   0.0000  133.003   10.244  ?   ?  0.000000 10.24388 
1 1 1    2   19    9 o  229.629   17.906  6494.30  963.273  6494.30  963.273   0.0000   0.0000  229.629   17.906  ?   ?  0.000000 17.90633 
1 1 1    2   19   10 o  151.229   8.1629  2730.06  290.424  2843.80  410.514  2616.10  410.928  153.574   11.401  147.116   11.932 6.457916 16.50328 
1 1 1    2   19   11 o  249.213   13.448  7522.56  788.476  8745.50  1115.07  6299.60  1115.08  266.275   17.837  223.713   21.368 42.56194 27.83459 
1 1 1    2   19   12 o  317.944   17.704 12468.26  1323.91 13154.80  1870.18 11778.60  1874.42  320.024   24.945  301.052   26.642 18.97229 36.49739 
1 1 1    2   19   13 o   30.448   2.1066  110.048   15.053  141.500   21.375   79.100   21.203   34.501   2.6438   25.610   3.6060 8.891115 4.471381 
1 1 1    2   19   14 o  174.592   9.1746  3653.57  376.922  3476.80  531.653  3832.20  534.454  168.863   13.444  177.577   12.832 -8.713684 18.58536 
1 1 1    2   19   15 o  193.159   10.585  4494.22  480.954  5009.50  679.762  3977.70  680.580  202.339   14.320  179.276   16.253 23.06325 21.66151 
1 1 1    2   19   16 o  123.887   6.7542  1830.64  196.843  1903.30  278.110  1757.70  278.648  125.735   9.4358  120.694   9.8633 5.040825 13.64981 
1 1 1    2   19   17 o  211.202   11.512  5396.73  571.956  5547.50  807.727  5245.10  810.014  211.627   16.288  205.416   16.848 6.211533 23.43403 
1 1 1    2   19   18 o  196.688   10.729  4670.00  496.429  4865.20  701.259  4473.90  702.856  198.693   15.058  190.092   15.801 8.601395 21.82731 
1 1 1    2   19   19 f  179.981   9.7433  3900.47  412.548  4489.80  583.373  3310.90  583.489  191.740   12.961  163.440   15.297 28.29999 20.04904 
1 1 1    2   19   20 o  103.491   5.7733  1276.55  140.525  1436.90  198.548  1115.60  198.919  109.426   7.7337   96.090   8.8667 13.33541 11.76555 
1 1 1    2   19   21 o   33.501   2.2822  133.262   17.946  147.800   25.369  118.700   25.390   35.213   3.0820   31.479   3.4736 3.734428 4.643782 
1 1 1    2   19   22 o   76.765   4.3596  700.990   78.700  770.100  111.186  631.600  111.412   80.231   5.9104   72.495   6.5799 7.736694 8.844644 
1 1 1    2   19   23 o  147.550   8.1008  2620.81  281.167  3015.10  397.473  2225.90  397.787  157.161   10.775  134.047   12.719 23.11450 16.67000 
1 1 1    2   19   24 o  170.976   9.3925  3551.02  377.754  3654.50  533.523  3447.00  534.929  171.083   13.311  165.804   13.788 5.278824 19.16488 
1 1 1    2   19   25 o  130.862   7.2938  2065.66  224.491  2246.30  317.073  1884.10  317.885  135.249   9.9989  123.287   11.036 11.96207 14.89195 
1 1 1    2   19   26 o   99.515   5.6050  1188.08  131.175  1426.40  185.399  949.200  185.620  108.501   7.2784   87.752   9.0898 20.74926 11.64470 
1 1 1    2   19   27 o   91.862   5.1264  1012.38  110.758  1050.80  156.477  973.800  156.795   92.895   7.1893   89.285   7.5066 3.610420 10.39401 
1 1 1    2   19   28 o   62.386   3.5196  464.347   51.637  435.800   72.769  493.300   73.285   60.064   5.1813   64.007   4.8857 -3.942364 7.121476 
1 1 1    2   19   29 o   14.054   1.8308   23.766   5.9313   28.300   8.1276   18.600   8.6753   15.281   2.3258   12.271   3.0155 3.010370 3.808230 
1 1 1    2   19   30 o  151.192   8.8543  2878.99  314.734  3209.30  444.572  2547.10  445.633  155.389   12.214  135.919   14.089 19.47041 18.64679 
1 1 1    2   19   31 o   23.563   1.8720   66.181   10.330   60.400   14.463   72.200   14.759   22.365   2.8001   24.518   2.5883 -2.152843 3.813124 
1 1 1    2   19   32 o   16.088   1.7104   30.995   6.3982   30.300   9.0151   31.700   9.0821   15.778   2.5032   16.155   2.4584 -0.3763952 3.508492 
1 1 1    2   19   33 o   87.568   4.7986  931.880   98.849  882.800  139.273  981.700  140.319   83.825   7.1029   88.674   6.7521 -4.848648 9.800036 
1 1 1    2   19   34 o   73.647   4.1933  656.638   72.623  712.000  102.715  601.300  102.693   75.874   5.7764   69.372   6.3390 6.501274 8.576075 
1 1 1    2   19   35 o   71.905   4.0666  626.977   68.765  595.100   97.138  659.000   97.359   68.977   6.0243   72.812   5.7083 -3.835320 8.299172 
1 1 1    2   19   36 o   19.723   1.7969   46.555   8.2770   52.600   11.701   40.500   11.710   20.869   2.4193   18.196   2.8163 2.673767 3.712791 
1 1 1    2   19   37 o   56.075   3.3128  380.766   43.671  366.800   61.687  394.800   61.835   54.261   4.8661   56.413   4.6842 -2.152431 6.754299 
1 1 1    2   19   38 o   57.120   3.4038  397.404   45.702  426.500   64.628  368.300   64.637   58.368   4.7297   53.943   5.1364 4.425259 6.982328 
1 1 1    2   19   39 o   27.971   2.0941   94.027   13.731   99.500   19.372   88.500   19.466   28.551   2.9143   26.842   3.1299 1.708790 4.276619 
1 1 1    2   19   40 o   31.737   2.2300  121.407   16.606  124.600   23.457  118.200   23.511   31.831   3.1627   30.955   3.2659 0.8762817 4.546278 
1 1 1    2   19   41 o   32.496   2.2913  127.590   17.470  139.200   24.664  115.900   24.748   33.622   3.1430   30.503   3.4991 3.118128 4.703445 
1 1 1    2   19   42 o   17.847   1.7728   38.412   7.3724   41.300   10.404   35.500   10.448   18.342   2.4646   16.915   2.7071 1.427038 3.660989 
1 1 1    2   19   43 o   35.926   2.4242  156.663   20.445  160.000   28.858  153.300   28.970   35.816   3.4550   34.998   3.5548 0.8182716 4.957155 
1 1 1    2   19   44 o   40.937   2.6484  204.845   25.464  234.300   36.015  175.400   36.009   43.214   3.5610   36.928   4.2044 6.286674 5.509813 
1 1 1    2   19   45 f   4.5776   1.5226   2.3731   1.9249  -0.6000   2.6488   5.7000   2.8020   3.6605   1.6038   6.7681   1.7428 -3.107605 2.368395 
1 1 1    2   19   46 o   37.258   2.4992  170.750   21.861  170.600   30.892  170.900   30.940   36.446   3.6381   36.476   3.6407 -0.3022003E-01 5.146891 
1 1 1    2   19   47 o   31.080   2.2517  118.672   16.414  133.300   23.195  104.000   23.230   32.427   3.0655   28.283   3.5569 4.144718 4.695642 
1 1 1    2   19   48 o   16.489   1.7476   33.206   6.7009   38.100   9.4710   28.300   9.4820   17.452   2.3586   14.825   2.8115 2.627339 3.669866 
1 1 1    2   19   49 o   23.513   2.0278   67.942   11.149   73.600   15.577   62.000   15.964   24.073   2.7922   21.844   3.1889 2.228878 4.238572 
1 1 1    2   19   50 o   3.8277   1.5138   1.0000   2.0271   1.0000   2.3779   1.0000   3.8777   4.0595   1.6283   4.9319   2.0408 -0.8724179 2.610838 
1 1 1    2   19   51 o   13.987   2.5807   25.500   8.2096   25.500   8.2096   0.0000   0.0000   13.987   2.5807  ?   ?  0.000000 2.580657 
1 1 1    2   19   52 o   8.4159   2.4435   9.4000   5.1426   9.4000   5.1426   0.0000   0.0000   8.4159   2.4435  ?   ?  0.000000 2.443476 
1 1 1    2   19   53 o   12.541   2.6796   21.800   7.6944   21.800   7.6944   0.0000   0.0000   12.541   2.6796  ?   ?  0.000000 2.679610 
1 1 1    2   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   20    1 o  258.654   20.301  8280.20  1229.96   0.0000   0.0000  8280.20  1229.96  ?   ?   258.654   20.301 0.000000 20.30075 
1 1 1    2   20    2 o  198.776   10.459  4731.21  489.184  5161.70  692.892  4303.40  690.734  206.423   14.303  187.892   15.712 18.53044 21.24765 
1 1 1    2   20    3 o  132.379   6.9952  2085.58  217.889  2403.70  308.468  1768.80  307.816  141.740   9.2673  121.166   10.874 20.57421 14.28742 
1 1 1    2   20    4 f   48.814   2.9230  282.602   33.537  264.400   47.302  301.000   47.556   47.079   4.3025   50.285   4.0391 -3.205872 5.901335 
1 1 1    2   20    5 f  121.053   6.4587  1743.16  183.955  1805.20  260.653  1681.60  259.653  122.760   9.0557  118.400   9.3635 4.359650 13.02614 
1 1 1    2   20    6 o  221.879   11.899  5924.30  621.134  5961.30  880.235  5887.60  876.609  220.413   17.045  219.022   17.085 1.391373 24.13300 
1 1 1    2   20    7 o  195.356   9.5939  4555.76  442.571  3524.20  624.211  5598.50  627.583  169.590   15.768  215.442   12.388 -45.85219 20.05230 
1 1 1    2   20    8 o  107.962   5.9048  1386.18  149.965  1421.90  211.861  1350.30  212.304  108.970   8.2958  106.130   8.5438 2.840096 11.90864 
1 1 1    2   20    9 o   57.444   3.3630  391.503   45.419  403.600   64.224  379.400   64.239   58.195   4.7141   56.393   4.8719 1.801743 6.779247 
1 1 1    2   20   10 o  110.742   6.0282  1459.19  157.046  1512.60  222.011  1405.70  222.181  112.351   8.4297  108.219   8.7699 4.132370 12.16433 
1 1 1    2   20   11 o  103.616   5.7587  1277.36  140.344  1478.60  198.323  1075.50  198.630  111.206   7.5978   94.492   9.0112 16.71417 11.78676 
1 1 1    2   20   12 o  168.657   9.1017  3408.40  361.143  3437.80  509.841  3378.80  511.630  168.142   12.940  166.622   13.109 1.520538 18.42035 
1 1 1    2   20   13 o  249.711   12.851  7564.29  755.199  6833.40  1064.93  8303.70  1071.12  233.282   19.511  258.665   17.642 -25.38310 26.30429 
1 1 1    2   20   14 o   28.374   1.9757   95.576   13.155  127.400   18.685   64.300   18.524   32.743   2.4340   23.053   3.5140 9.690790 4.274661 
1 1 1    2   20   15 o   97.443   4.7535  1125.14  109.377  908.200  153.753  1347.40  155.628   86.988   7.5604  106.318   6.2261 -19.33057 9.794053 
1 1 1    2   20   16 o  292.731   16.275 10588.10  1120.56 11114.20  1583.28 10060.10  1586.14  293.555   23.025  277.765   24.431 15.78961 33.57139 
1 1 1    2   20   17 o   81.946   4.5531  798.082   87.758  795.700  123.635  800.500  124.588   81.552   6.4734   81.794   6.5042 -0.2417908 9.176574 
1 1 1    2   20   18 o  161.230   8.8324  3121.15  334.988  3355.80  473.296  2885.60  474.196  165.988   12.160  153.428   13.218 12.56041 17.96011 
1 1 1    2   20   19 o   61.738   3.5746  452.644   51.890  504.200   73.353  401.000   73.415   65.027   4.8112   57.862   5.4369 7.165146 7.259983 
1 1 1    2   20   20 o  134.260   7.3049  2157.47  230.719  2193.30  325.756  2121.40  326.819  134.473   10.338  132.161   10.560 2.311523 14.77827 
1 1 1    2   20   21 o   59.005   3.4676  413.597   48.103  460.100   67.957  366.900   68.098   62.099   4.6685   55.324   5.2766 6.774868 7.045405 
1 1 1    2   20   22 o   65.150   3.7828  504.632   57.945  554.400   81.838  454.600   82.055   68.110   5.1260   61.541   5.7116 6.569424 7.674543 
1 1 1    2   20   23 o  196.253   10.912  4717.62  503.697  5095.40  711.757  4338.60  712.915  200.717   15.128  183.908   16.595 16.80956 22.45579 
1 1 1    2   20   24 o   90.448   5.0857  977.467  108.179  1060.20  152.789  894.300  153.189   93.741   6.9520   85.857   7.6356 7.883499 10.32631 
1 1 1    2   20   25 o  101.717   5.5301  1240.09  132.329  1195.70  186.807  1284.80  187.478   99.048   8.0568  102.800   7.7808 -3.752106 11.20056 
1 1 1    2   20   26 o  118.543   6.5780  1698.58  183.409  1749.40  258.911  1647.40  259.851  118.960   9.2907  115.224   9.6389 3.735962 13.38753 
1 1 1    2   20   27 o   45.014   2.7281  241.125   28.862  227.700   40.630  254.800   41.006   43.538   3.9966   46.112   3.7997 -2.573868 5.514576 
1 1 1    2   20   28 o  119.441   6.6885  1740.15  187.886  1876.60  265.522  1603.30  265.901  122.288   9.2639  112.339   10.133 9.948761 13.72921 
1 1 1    2   20   29 o   82.846   4.5504  825.749   88.677  775.300  124.978  876.900  125.844   79.394   6.7296   84.651   6.3416 -5.257736 9.246863 
1 1 1    2   20   30 o   74.821   4.0618  672.742   71.494  623.000  100.503  723.700  101.725   71.244   6.0307   77.001   5.6337 -5.757248 8.252696 
1 1 1    2   20   31 o   13.640   1.6061   22.325   5.0739   16.000   7.0554   29.100   7.3020   11.375   2.6722   15.535   2.0398 -4.160769 3.361698 
1 1 1    2   20   32 o   7.7753   1.6595   7.4327   2.9541   8.8000   4.1298   6.0000   4.2275   8.4468   2.0835   7.1529   2.2467 1.293920 3.064040 
1 1 1    2   20   33 o   36.443   2.3139  158.458   19.809  137.400   27.921  179.800   28.108   33.673   3.5656   38.676   3.1038 -5.003117 4.727314 
1 1 1    2   20   34 f   37.827   2.4423  171.014   21.699  181.000   30.742  161.100   30.632   38.707   3.3978   36.447   3.6066 2.260288 4.955059 
1 1 1    2   20   35 o   53.372   3.1980  342.816   40.119  347.800   56.645  337.800   56.828   53.253   4.5482   52.439   4.6372 0.8144760 6.495335 
1 1 1    2   20   36 o   51.441   3.1327  319.291   37.871  352.100   53.525  286.400   53.591   53.548   4.2685   48.021   4.7900 5.527470 6.415944 
1 1 1    2   20   37 o   40.629   2.5275  198.421   24.128  181.500   34.044  215.500   34.202   38.419   3.8026   42.022   3.4780 -3.603806 5.153249 
1 1 1    2   20   38 f   26.138   2.0058   81.996   12.285   81.100   17.333   82.900   17.415   25.768   2.8988   26.062   2.8779 -0.2936630 4.084775 
1 1 1    2   20   39 o   8.7547   1.6922   9.4321   3.3717   8.0000   4.6639   11.000   4.8801   8.0732   2.3221   9.3968   2.2324 -1.323573 3.221103 
1 1 1    2   20   40 o   14.425   1.7001   25.142   5.6800   23.900   8.0068   26.400   8.0591   13.873   2.5377   14.627   2.4177 -0.7544203 3.505045 
1 1 1    2   20   41 o   21.645   1.8629   56.406   9.4288   58.400   13.314   54.400   13.355   21.821   2.6374   21.013   2.7580 0.8076611 3.816078 
1 1 1    2   20   42 o   48.293   3.0200  285.980   34.266  301.300   48.412  270.600   48.507   48.709   4.2517   45.929   4.5317 2.780109 6.213937 
1 1 1    2   20   43 o   33.185   2.3027  133.459   17.933  136.500   25.322  130.400   25.399   33.134   3.2795   32.331   3.3767 0.8032722 4.707122 
1 1 1    2   20   44 o   6.4241   1.6672   5.1212   2.5510   2.8000   3.5499   7.6000   3.6684   5.4881   2.0449   7.8008   1.9862 -2.312662 2.850773 
1 1 1    2   20   45 o   28.882   2.1170  101.466   14.337   97.400   20.194  105.600   20.359   27.822   3.1280   29.044   3.0124 -1.221741 4.342679 
1 1 1    2   20   46 o   24.298   1.9675   71.850   11.192   71.800   15.848   71.900   15.807   23.901   2.8651   23.923   2.8544 -0.2195168E-01 4.044329 
1 1 1    2   20   47 o   16.221   1.7490   32.105   6.5932   30.000   9.3362   34.200   9.3123   15.353   2.6724   16.498   2.4661 -1.145031 3.636357 
1 1 1    2   20   48 o   19.984   1.9557   49.000   9.1107   57.100   12.696   40.400   13.082   21.308   2.5755   17.543   3.2785 3.764830 4.169134 
1 1 1    2   20   49 o   25.675   2.1220   81.369   12.750  102.700   17.961   59.700   18.102   28.496   2.7015   20.993   3.7913 7.503254 4.655320 
1 1 1    2   20   50 o   9.7445   1.7629   11.888   3.9071   9.6000   5.1127   15.100   6.0576   8.6302   2.4142   10.795   2.4344 -2.164886 3.428497 
1 1 1    2   20   51 o   10.640   2.5331   15.000   6.2727   15.000   6.2727   0.0000   0.0000   10.640   2.5331  ?   ?  0.000000 2.533082 
1 1 1    2   20   52 o   12.944   2.6372   22.700   7.7869   22.700   7.7869   0.0000   0.0000   12.944   2.6372  ?   ?  0.000000 2.637178 
1 1 1    2   20   53 o   22.360   3.2884   73.100   16.844   73.100   16.844   0.0000   0.0000   22.360   3.2884  ?   ?  0.000000 3.288429 
1 1 1    2   20   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   20   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   21    0 o  334.585   26.638 14006.80  2073.95 14006.80  2073.95 14006.80  2073.95  334.585   26.638  334.585   26.638 0.000000 0.000000 
1 1 1    2   21    1 o  212.794   11.028  5437.32  552.257  4639.30  779.560  6241.30  782.467  194.173   17.179  226.587   14.704 -32.41312 22.61238 
1 1 1    2   21    2 o  151.652   8.1738  2744.79  291.627  2654.60  412.403  2835.00  412.443  148.249   11.880  153.347   11.473 -5.097809 16.51607 
1 1 1    2   21    3 o  386.961   18.231 18388.18  1665.86 23301.00  2364.98 13550.20  2346.89  429.771   23.392  319.143   31.555 110.6280 39.28004 
1 1 1    2   21    4 f  158.800   7.9945  3008.01  298.822  3399.70  423.871  2621.00  421.336  168.183   10.729  147.174   12.235 21.00928 16.27262 
1 1 1    2   21    5 o  313.713   17.154 12076.65  1265.91 11995.30  1792.51 12157.60  1788.02  306.271   25.003  308.585   24.746 -2.314117 35.17862 
1 1 1    2   21    6 o  167.635   8.7665  3359.15  345.815  3559.80  490.220  3160.40  487.900  171.624   12.175  161.426   12.908 10.19740 17.74378 
1 1 1    2   21    7 o  250.419   13.679  7605.12  805.828  7120.80  1140.47  8088.00  1138.76  238.442   20.453  255.171   19.036 -16.72897 27.94105 
1 1 1    2   21    8 o  136.752   7.2550  2229.83  233.441  2066.00  329.513  2394.90  330.761  130.839   10.761  141.133   9.9894 -10.29411 14.68262 
1 1 1    2   21    9 o  223.517   11.894  6031.92  625.523  5603.80  883.507  6462.20  885.743  212.549   17.766  229.089   16.484 -16.53979 24.23510 
1 1 1    2   21   10 o   80.725   3.8950  771.073   74.247  985.300  105.634  561.900  104.380   91.060   4.9310   68.469   6.5353 22.59058 8.186861 
1 1 1    2   21   11 o   64.479   3.6375  493.394   55.157  616.100   78.038  370.900   77.970   71.976   4.6158   55.575   6.0386 16.40091 7.600670 
1 1 1    2   21   12 o  263.355   11.991  8368.92  745.704  6413.30  1049.44 10363.40  1059.81  225.607   19.903  290.604   15.500 -64.99715 25.22654 
1 1 1    2   21   13 o  133.532   6.2799  2118.31  198.017  1646.70  278.899  2597.70  281.193  116.718   10.222  147.352   8.1126 -30.63438 13.05024 
1 1 1    2   21   14 o   45.186   2.8434  242.338   30.185  265.000   42.559  219.400   42.818   47.163   3.8552   42.831   4.2913 4.331692 5.768665 
1 1 1    2   21   15 o  130.448   7.0846  2031.65  217.412  2059.90  306.927  2003.20  308.009  130.637   10.026  128.764   10.214 1.873444 14.31236 
1 1 1    2   21   16 o   78.935   4.4923  740.580   83.387  807.800  117.727  672.900  118.129   82.229   6.1066   74.902   6.7514 7.326385 9.103416 
1 1 1    2   21   17 f  186.018   10.012  4171.36  438.158  4131.50  618.161  4211.60  621.149  183.129   14.411  184.945   14.335 -1.816269 20.32681 
1 1 1    2   21   18 o  168.167   9.2562  3404.26  366.152  3715.80  517.311  3091.50  518.325  174.296   12.655  158.276   14.013 16.01970 18.88195 
1 1 1    2   21   19 o  142.761   7.7601  2442.88  260.617  2501.30  368.163  2384.20  368.976  143.413   10.954  139.881   11.266 3.532364 15.71377 
1 1 1    2   21   20 o  123.142   6.6732  1813.69  193.320  1801.00  272.800  1826.50  273.995  121.894   9.5541  122.768   9.5260 -0.8739166 13.49170 
1 1 1    2   21   21 o  101.460   5.1641  1226.71  123.315  1050.80  173.664  1405.60  175.133   93.271   7.9612  108.251   6.8871 -14.97988 10.52677 
1 1 1    2   21   22 o  110.429   6.1299  1459.82  159.218  1617.80  224.977  1301.30  225.359  115.629   8.2948  103.296   9.3401 12.33330 12.49166 
1 1 1    2   21   23 o  113.889   6.2577  1556.34  167.645  1631.00  236.949  1481.50  237.224  115.735   8.7345  110.086   9.2103 5.649139 12.69334 
1 1 1    2   21   24 o   32.111   2.2000  122.543   16.581  118.000   23.184  127.300   23.724   31.393   3.1709   32.626   3.1173 -1.232758 4.446593 
1 1 1    2   21   25 o   85.935   4.7544  883.813   96.104  867.000  135.561  900.800  136.264   84.503   6.8526   86.179   6.7500 -1.676247 9.618779 
1 1 1    2   21   26 o   20.911   1.8452   52.125   9.0178   50.300   12.507   54.100   13.014   20.431   2.6553   21.200   2.6581 -0.7692661 3.757093 
1 1 1    2   21   27 o   58.713   3.0568  410.588   42.233  341.200   59.001  483.500   60.481   53.163   4.7499   63.527   4.0529 -10.36330 6.243994 
1 1 1    2   21   28 o   30.097   2.1740  107.882   15.347  110.100   21.553  105.600   21.857   30.281   3.0561   29.629   3.1732 0.6511116 4.405581 
1 1 1    2   21   29 o   64.581   3.6804  499.836   55.894  483.800   78.767  516.100   79.327   63.019   5.3434   65.154   5.1994 -2.134975 7.455585 
1 1 1    2   21   30 o   24.897   2.0401   73.965   11.889   83.400   16.670   64.200   16.960   26.347   2.7185   22.989   3.2120 3.358065 4.208010 
1 1 1    2   21   31 o   73.642   4.1814  654.268   72.412  649.300  102.076  659.300  102.740   72.546   6.0129   73.110   6.0041 -0.5645370 8.497354 
1 1 1    2   21   32 o   46.590   2.8006  259.563   30.668  248.000   43.209  271.300   43.534   45.212   4.0915   47.352   3.9289 -2.139629 5.672447 
1 1 1    2   21   33 o   82.167   4.6423  821.832   89.703  812.500  126.735  831.200  126.983   80.383   6.7390   81.359   6.6682 -0.9767303 9.480482 
1 1 1    2   21   34 o   58.087   3.2169  405.667   43.952  366.500   61.745  445.900   62.580   54.583   4.8408   60.440   4.4153 -5.856991 6.551965 
1 1 1    2   21   35 o   32.032   2.1910  122.715   16.473  108.900   23.267  136.600   23.325   29.902   3.3529   33.631   2.9675 -3.729548 4.477520 
1 1 1    2   21   36 o   35.148   2.3640  148.209   19.506  150.500   27.532  145.900   27.640   35.141   3.3589   34.572   3.4311 0.5690994 4.801468 
1 1 1    2   21   37 o   16.160   1.7103   31.400   6.4273   32.400   9.0896   30.400   9.0896   16.273   2.4408   15.731   2.5329 0.5412216 3.517516 
1 1 1    2   21   38 o   11.338   1.6905   15.629   4.3877   18.600   6.1754   12.600   6.2352   12.286   2.2099   10.048   2.6060 2.238261 3.416835 
1 1 1    2   21   39 o   22.744   1.8957   62.198   10.089   61.800   14.238   62.600   14.297   22.453   2.7424   22.603   2.7343 -0.1493092 3.872590 
1 1 1    2   21   40 o   32.864   2.2646  130.384   17.467  124.700   24.666  136.100   24.737   31.730   3.3424   33.228   3.1919 -1.498306 4.621675 
1 1 1    2   21   41 o   9.6588   1.6479   11.429   3.6236   15.100   5.1760   7.9000   5.0746   11.051   2.0592   8.0618   2.4494 2.989543 3.199981 
1 1 1    2   21   42 o   31.127   2.2238  117.213   16.238  136.600   22.956   97.800   22.971   33.324   2.9477   27.888   3.5701 5.435457 4.629714 
1 1 1    2   21   43 o   15.265   1.7254   28.215   6.1103   28.700   8.5106   27.700   8.7782   15.213   2.4525   14.901   2.5887 0.3119555 3.566005 
1 1 1    2   21   44 f   23.538   1.9438   67.111   10.708   70.100   15.116   64.100   15.170   23.772   2.7432   22.656   2.9023 1.116949 3.993537 
1 1 1    2   21   45 o   17.580   1.7830   37.535   7.2995   42.400   10.286   32.600   10.360   18.495   2.4128   16.032   2.8406 2.463474 3.726973 
1 1 1    2   21   46 o   30.645   2.2512  115.301   16.176  121.400   22.782  109.100   22.973   30.885   3.1686   29.105   3.4071 1.780733 4.652819 
1 1 1    2   21   47 o   11.803   1.7195   17.145   4.6516   17.500   6.6287   16.800   6.5291   11.704   2.4758   11.460   2.4843 0.2436647 3.507323 
1 1 1    2   21   48 o   12.022   1.7802   17.845   4.9009   19.100   6.6987   16.400   7.1891   12.249   2.4018   11.240   2.7346 1.008692 3.639588 
1 1 1    2   21   49 o   6.7197   1.8151   5.6760   2.9479   6.3000   3.9596   4.9000   4.4157   7.1177   2.1639   6.5906   2.3035 0.5271406 3.160482 
1 1 1    2   21   50 o   6.8811   1.8566   6.0029   3.0863   7.2000   4.0792   4.4000   4.7201   7.5176   2.1743   6.4459   2.3660 1.071676 3.213396 
1 1 1    2   21   51 o   9.9089   2.5843   13.200   6.1098   13.200   6.1098   0.0000   0.0000   9.9089   2.5843  ?   ?  0.000000 2.584325 
1 1 1    2   21   52 o   6.0552   2.2306   4.1000   4.2005   4.1000   4.2005   0.0000   0.0000   6.0552   2.2306  ?   ?  0.000000 2.230590 
1 1 1    2   21   53 f   15.596   3.0625   35.400   10.876   35.400   10.876   0.0000   0.0000   15.596   3.0625  ?   ?  0.000000 3.062521 
1 1 1    2   21   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   21   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   22    0 o   56.179   4.8367  381.400   63.069  381.400   63.069  381.400   63.069   56.179   4.8367   56.179   4.8367 0.000000 0.000000 
1 1 1    2   22    1 o  326.274   16.633 13048.66  1277.21 15523.20  1810.30 10596.10  1802.24  351.267   21.935  285.435   27.062 65.83191 34.83517 
1 1 1    2   22    2 o  220.621   11.876  5868.40  616.420  5455.90  871.587  6281.20  871.911  210.044   17.739  226.167   16.438 -16.12347 24.18434 
1 1 1    2   22    3 o  149.359   8.0738  2664.09  283.698  2552.00  401.377  2776.00  401.042  145.235   11.806  151.669   11.278 -6.434021 16.32726 
1 1 1    2   22    4 o  154.787   7.8968  2859.75  287.675  3206.10  407.843  2516.80  405.832  163.218   10.640  144.133   12.034 19.08507 16.06326 
1 1 1    2   22    5 o  271.042   14.028  8929.90  894.748  9832.40  1267.83  8034.40  1262.91  280.974   19.224  252.309   21.399 28.66411 28.76604 
1 1 1    2   22    6 o  178.180   9.6814  3808.37  405.811  3538.90  574.296  4077.10  573.513  170.107   14.433  183.104   13.356 -12.99617 19.66510 
1 1 1    2   22    7 o  241.132   11.744  7000.10  668.712  8176.50  948.813  5839.00  942.622  258.273   15.631  216.412   18.627 41.86041 24.31670 
1 1 1    2   22    8 o  343.164   17.958 14590.81  1450.10 12239.90  2046.53 16961.20  2054.99  303.121   28.943  363.370   24.086 -60.24985 37.65455 
1 1 1    2   22    9 o   89.653   4.4609  951.817   94.439  732.300  132.905  1175.70  134.220   78.114   7.2895   99.381   5.7439 -21.26666 9.280609 
1 1 1    2   22   10 o  160.215   7.6935  3058.03  291.064  3846.50  413.071  2280.50  410.196  178.928   9.8140  136.708   12.858 42.22041 16.17529 
1 1 1    2   22   11 o  119.420   6.3768  1699.16  179.171  1962.20  253.621  1437.10  253.152  127.938   8.4425  109.060   9.9391 18.87840 13.04078 
1 1 1    2   22   12 o  255.824   13.939  7987.65  838.873  8060.90  1186.38  7914.40  1186.31  252.678   20.048  250.193   20.254 2.484436 28.49808 
1 1 1    2   22   13 o  206.669   10.647  5148.91  517.832  4594.60  730.660  5708.30  734.003  192.588   16.218  215.782   14.489 -23.19414 21.74737 
1 1 1    2   22   14 o  213.068   11.686  5498.19  585.693  5730.20  827.063  5264.80  829.533  214.947   16.419  205.475   17.257 9.472733 23.81947 
1 1 1    2   22   15 o  173.900   9.4769  3636.98  387.692  3854.00  547.860  3419.30  548.699  177.550   13.161  166.778   14.064 10.77272 19.26149 
1 1 1    2   22   16 o   45.987   2.8575  251.036   30.877  268.700   43.560  233.200   43.773   47.477   3.9205   44.166   4.2496 3.310616 5.781834 
1 1 1    2   22   17 o  138.088   7.3775  2281.51  239.692  2219.50  337.784  2344.40  340.180  135.224   10.665  139.077   10.434 -3.853592 14.92046 
1 1 1    2   22   18 o  113.355   6.2264  1533.96  166.025  1596.10  234.492  1471.50  235.098  115.047   8.6958  110.326   9.1056 4.720726 12.59084 
1 1 1    2   22   19 o   75.803   4.3373  683.581   77.315  750.000  109.192  616.800  109.489   79.172   5.8826   71.635   6.5449 7.537300 8.800070 
1 1 1    2   22   20 o   75.040   4.1762  669.870   73.707  646.200  104.062  693.700  104.415   73.392   6.0587   76.097   5.8557 -2.705421 8.425981 
1 1 1    2   22   21 o   69.277   3.9663  571.088   64.614  639.000   91.319  503.000   91.437   73.074   5.3289   64.649   6.0604 8.425217 8.070032 
1 1 1    2   22   22 o  220.742   12.495  6076.97  648.651  6741.70  916.700  5410.40  917.965  227.238   17.212  200.643   19.626 26.59491 26.10415 
1 1 1    2   22   23 o  100.357   5.5747  1207.34  131.589  1256.60  185.840  1157.80  186.350  101.669   7.8003   97.429   8.1755 4.240524 11.29975 
1 1 1    2   22   24 o   18.225   1.7389   39.629   7.3926   35.100   10.321   44.400   10.594   17.013   2.6558   19.220   2.3855 -2.207209 3.569846 
1 1 1    2   22   25 o  102.012   5.4832  1252.41  131.598  1168.70  185.458  1337.30  186.765   97.430   8.1355  104.518   7.6198 -7.087425 11.14664 
1 1 1    2   22   26 o  117.676   6.5561  1684.87  181.453  1774.30  256.442  1595.20  256.785  119.100   9.1894  112.494   9.7635 6.605812 13.40785 
1 1 1    2   22   27 o   18.899   1.8164   42.658   8.0061   42.900   11.143   42.400   11.510   18.845   2.5713   18.714   2.6813 0.1305180 3.714950 
1 1 1    2   22   28 o   32.696   2.2322  127.334   17.131  122.300   23.958  132.600   24.505   31.885   3.2264   33.225   3.1616 -1.339987 4.517196 
1 1 1    2   22   29 o   60.407   3.4757  437.109   49.369  423.900   69.453  450.600   70.188   59.022   5.0314   60.902   4.9227 -1.880470 7.038971 
1 1 1    2   22   30 o   69.317   3.9374  578.213   64.182  561.000   90.541  595.600   90.996   67.569   5.7285   69.705   5.5750 -2.135765 7.993510 
1 1 1    2   22   31 o   41.815   2.5734  208.770   25.286  194.700   35.476  223.300   36.050   40.111   3.7904   43.033   3.5802 -2.921860 5.213912 
1 1 1    2   22   32 o   79.248   4.5763  763.204   85.273  794.900  120.303  731.200  120.888   79.793   6.4397   76.287   6.7814 3.506119 9.351858 
1 1 1    2   22   33 o   50.466   3.0157  305.631   35.773  288.600   50.488  322.800   50.693   48.574   4.4512   51.485   4.2065 -2.910992 6.124370 
1 1 1    2   22   34 o   69.234   3.9957  582.501   65.047  582.800   91.891  582.200   92.089   68.227   5.7575   68.181   5.7741 0.4614258E-01 8.154051 
1 1 1    2   22   35 o   22.882   1.9269   62.701   10.315   71.200   14.544   54.100   14.630   24.268   2.5774   21.012   3.0368 3.256214 3.983129 
1 1 1    2   22   36 o   44.905   2.8102  243.366   29.649  247.100   41.842  239.600   42.019   44.761   4.0009   44.030   4.0881 0.7303505 5.720059 
1 1 1    2   22   37 o   18.287   1.7433   40.162   7.4367   37.100   10.453   43.300   10.582   17.380   2.6292   18.851   2.4341 -1.470882 3.582971 
1 1 1    2   22   38 o   37.559   2.4675  170.345   21.762  169.200   30.705  171.500   30.849   36.995   3.5587   37.251   3.5500 -0.2563362 5.026622 
1 1 1    2   22   39 o   32.832   2.2251  129.973   17.149  116.000   24.186  144.100   24.319   30.581   3.4072   34.281   3.0356 -3.700140 4.563331 
1 1 1    2   22   40 o   38.262   2.4698  177.300   22.196  166.800   31.315  187.900   31.465   36.557   3.6775   38.936   3.4582 -2.379738 5.048089 
1 1 1    2   22   41 o   23.572   1.9469   66.980   10.740   70.500   15.125   63.400   15.253   23.961   2.7216   22.641   2.9210 1.319937 3.992410 
1 1 1    2   22   42 o   38.430   2.5282  179.651   22.815  179.900   32.173  179.400   32.357   37.871   3.6427   37.800   3.6714 0.7054138E-01 5.171875 
1 1 1    2   22   43 o   39.737   2.5949  193.240   24.215  187.800   34.215  198.700   34.276   38.398   3.8244   39.588   3.7098 -1.190189 5.328118 
1 1 1    2   22   44 o   46.559   2.9650  269.420   32.428  280.800   45.820  258.000   45.901   46.368   4.2314   44.206   4.4581 2.162090 6.146491 
1 1 1    2   22   45 o   23.093   1.9198   64.845   10.374   69.500   14.679   60.200   14.662   23.599   2.6818   21.839   2.9161 1.760529 3.961799 
1 1 1    2   22   46 o   7.4059   1.7203   6.8710   2.9509   5.8000   4.1194   8.0000   4.2293   6.9407   2.2221   7.9659   2.1834 -1.025167 3.115278 
1 1 1    2   22   47 o   24.062   1.9843   70.878   11.174   78.500   15.773   63.200   15.831   24.956   2.7207   22.153   3.1123 2.803835 4.133801 
1 1 1    2   22   48 o   21.855   1.8800   58.481   9.6080   54.400   13.476   62.700   13.703   20.613   2.8443   22.253   2.6604 -1.640602 3.894564 
1 1 1    2   22   49 o   29.364   2.2918  107.649   15.766  120.600   22.129   94.300   22.467   30.406   3.1267   26.365   3.7113 4.040182 4.852851 
1 1 1    2   22   50 o   15.934   1.8487   31.633   6.8266   29.700   9.2910   33.900   10.064   14.995   2.7242   16.023   2.7595 -1.027054 3.877662 
1 1 1    2   22   51 o   13.642   2.6925   25.200   8.3654   25.200   8.3654   0.0000   0.0000   13.642   2.6925  ?   ?  0.000000 2.692472 
1 1 1    2   22   52 o   13.243   2.7051   24.400   8.1736   24.400   8.1736   0.0000   0.0000   13.243   2.7051  ?   ?  0.000000 2.705132 
1 1 1    2   22   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   23    0 o   65.109   5.4323  511.900   82.182  511.900   82.182  511.900   82.182   65.109   5.4323   65.109   5.4323 0.000000 0.000000 
1 1 1    2   23    1 o  174.217   8.2329  3617.99  338.695  2689.90  477.251  4559.70  480.742  148.371   13.779  194.734   10.493 -46.36382 17.31984 
1 1 1    2   23    2 o  397.589   22.040 20000.54  2061.13 17964.00  2912.47 22043.80  2917.28  359.596   34.732  405.036   30.731 -45.43927 46.37510 
1 1 1    2   23    3 o  147.304   7.6745  2590.33  266.024  2181.80  375.609  3001.50  376.822  134.063   11.992  157.967   10.156 -23.90443 15.71429 
1 1 1    2   23    4 o  226.445   12.329  6204.80  656.750  5319.30  929.022  7089.40  928.547  205.987   19.325  239.848   16.495 -33.86040 25.40792 
1 1 1    2   23    5 o  165.543   8.9479  3282.90  348.480  3186.40  493.206  3379.10  492.446  161.790   13.020  166.796   12.596 -5.006485 18.11549 
1 1 1    2   23    6 o   68.520   3.8405  557.278   61.888  573.100   87.866  541.700   87.185   69.312   5.4114   67.358   5.5301 1.953331 7.737267 
1 1 1    2   23    7 o  140.612   7.1808  2358.58  237.634  2674.10  336.883  2046.10  335.253  149.161   9.6158  130.015   11.024 19.14575 14.62821 
1 1 1    2   23    8 f   98.512   4.3026  1149.04  100.088  1489.80  142.811  820.100  140.314  112.081   5.3960   82.700   7.2585 29.38120 9.044456 
1 1 1    2   23    9 o  174.836   9.3877  3668.71  386.155  3805.40  546.485  3532.40  545.728  176.695   13.193  169.992   13.712 6.703049 19.02799 
1 1 1    2   23   10 o  140.528   5.9617  2344.77  197.830  3216.00  281.964  1500.10  277.633  164.354   7.2653  111.227   10.703 53.12743 12.93572 
1 1 1    2   23   11 o  123.580   6.6999  1821.43  194.783  1973.40  275.532  1669.60  275.398  128.102   9.1693  117.562   10.016 10.53989 13.57929 
1 1 1    2   23   12 o  113.799   6.2008  1543.25  166.001  1543.60  235.045  1542.90  234.477  113.273   8.8580  113.252   8.8378 0.2068329E-01 12.51278 
1 1 1    2   23   13 f   51.835   2.8464  318.634   34.707  396.800   49.476  242.900   48.701   57.792   3.6441   45.037   4.6461 12.75523 5.904716 
1 1 1    2   23   14 o  130.889   7.0863  2046.93  218.206  2032.20  308.325  2061.70  308.855  129.616   10.155  130.577   10.095 -0.9604950 14.31901 
1 1 1    2   23   15 o   88.597   4.3126  930.047   90.224  741.200  126.915  1123.00  128.288   78.581   6.9099   97.076   5.6205 -18.49463 8.907085 
1 1 1    2   23   16 o   36.787   2.4588  160.689   21.236  177.600   29.954  143.600   30.112   38.600   3.3185   34.626   3.7423 3.974113 5.001730 
1 1 1    2   23   17 f  148.745   7.9030  2655.01  276.590  2547.90  389.905  2763.50  392.421  144.402   11.531  150.598   11.114 -6.196136 16.01470 
1 1 1    2   23   18 o   70.357   3.9774  588.487   65.809  585.200   92.882  591.800   93.255   69.910   5.6753   70.308   5.6650 -0.3978882 8.018842 
1 1 1    2   23   19 o   92.947   4.9423  1029.46  108.085  937.500  152.366  1122.60  153.348   88.177   7.3857   96.697   6.7584 -8.520660 10.01118 
1 1 1    2   23   20 o   59.951   3.3351  427.088   47.028  388.000   66.163  467.000   66.857   56.901   4.9741   62.532   4.5591 -5.631180 6.747423 
1 1 1    2   23   21 o   88.155   4.5990  926.786   95.403  826.700  134.183  1029.10  135.669   82.709   6.9344   92.529   6.2458 -9.820435 9.332565 
1 1 1    2   23   22 o  113.647   6.3864  1554.63  170.692  1728.10  241.098  1380.30  241.693  118.918   8.6450  105.701   9.7946 13.21742 13.06413 
1 1 1    2   23   23 o  190.451   10.601  4520.42  474.860  4486.30  670.722  4554.70  672.387  184.283   15.559  185.806   15.465 -1.523041 21.93751 
1 1 1    2   23   24 o   45.496   2.8220  246.389   30.168  253.500   42.548  239.200   42.782   45.973   3.9580   44.621   4.1064 1.352505 5.703316 
1 1 1    2   23   25 o   61.353   3.5505  449.462   51.219  446.000   72.040  453.000   72.835   60.765   5.0668   61.239   5.0827 -0.4736214 7.176820 
1 1 1    2   23   26 o  123.102   6.8825  1855.48  199.265  1895.60  281.359  1815.10  282.249  122.205   9.8333  119.333   10.111 2.872368 14.10446 
1 1 1    2   23   27 o  129.497   7.1606  2070.11  218.113  2008.70  307.728  2132.10  309.192  124.432   10.573  128.535   10.273 -4.102562 14.74192 
1 1 1    2   23   28 o   48.542   2.9545  281.458   33.705  287.100   47.634  275.800   47.699   48.750   4.1782   47.749   4.2756 1.001110 5.978199 
1 1 1    2   23   29 o   68.433   3.7108  562.218   59.741  494.700   84.098  631.000   84.881   63.476   5.6704   72.028   5.0220 -8.552536 7.574501 
1 1 1    2   23   30 o   51.013   3.0813  311.577   36.943  322.200   52.179  300.900   52.311   51.537   4.3277   49.738   4.5028 1.799179 6.245313 
1 1 1    2   23   31 o   39.699   2.5462  188.292   23.743  186.900   33.483  189.700   33.673   39.310   3.6487   39.607   3.6411 -0.2973251 5.154652 
1 1 1    2   23   32 o   60.409   3.4625  439.335   49.186  421.200   69.156  457.900   69.970   58.513   5.0548   61.101   4.8905 -2.588669 7.033363 
1 1 1    2   23   33 f   68.761   3.9195  573.232   63.377  558.200   89.281  588.500   89.980   66.885   5.7075   68.761   5.5901 -1.876106 7.989084 
1 1 1    2   23   34 o   21.439   1.8810   55.036   9.4263   56.100   13.115   53.900   13.557   21.505   2.6381   21.037   2.7986 0.4674816 3.845988 
1 1 1    2   23   35 o   61.075   3.5009  453.636   50.279  380.900   71.001  526.800   71.210   54.736   5.5709   65.115   4.6621 -10.37869 7.264280 
1 1 1    2   23   36 o   40.272   2.3278  194.800   22.042  159.500   30.633  232.700   31.740   35.968   3.6575   43.753   3.0921 -7.784473 4.789409 
1 1 1    2   23   37 o   31.742   2.1990  121.191   16.381  114.700   22.813  128.100   23.537   30.561   3.2091   32.346   3.1202 -1.785378 4.475930 
1 1 1    2   23   38 o   18.829   1.7878   42.659   7.8533   43.600   11.053   41.700   11.160   18.859   2.5471   18.411   2.6428 0.4482117 3.670460 
1 1 1    2   23   39 o   42.040   2.6914  214.707   26.577  217.400   37.537  212.000   37.635   41.699   3.8558   41.135   3.9220 0.5642090 5.499944 
1 1 1    2   23   40 o   26.864   2.0323   86.974   12.797   83.600   18.030   90.400   18.166   26.031   2.9872   27.120   2.8808 -1.088854 4.149995 
1 1 1    2   23   41 o   37.231   2.4826  168.306   21.701  176.600   30.679  160.000   30.700   37.647   3.4908   35.708   3.6944 1.938377 5.082748 
1 1 1    2   23   42 f   23.586   1.9670   67.253   10.855   71.200   15.251   63.200   15.455   24.018   2.7380   22.522   2.9791 1.496109 4.046185 
1 1 1    2   23   43 o   16.182   1.7890   31.790   6.7218   38.300   9.4416   25.100   9.5718   17.627   2.3251   14.020   2.9829 3.607306 3.782047 
1 1 1    2   23   44 o   22.681   1.9310   62.479   10.244   68.000   14.449   56.900   14.524   23.386   2.6641   21.235   2.9785 2.150974 3.996089 
1 1 1    2   23   45 o   28.946   2.2135  102.763   15.015  111.100   21.094   94.200   21.377   29.616   3.0603   27.022   3.4272 2.594549 4.594734 
1 1 1    2   23   46 o   9.7083   1.7366   11.700   3.8350   11.600   5.4235   11.800   5.4235   9.5270   2.4093   9.6096   2.3978 -0.8255291E-01 3.399143 
1 1 1    2   23   47 o   9.4476   1.7241   11.101   3.7045   10.900   5.2576   11.300   5.2206   9.2295   2.3926   9.3990   2.3566 -0.1694250 3.358244 
1 1 1    2   23   48 o   3.7052   1.4771   0.8673   1.9442   2.0000   2.3080  -1.9000   3.6075   4.5105   1.6547   3.9525   1.7914 0.5579853 2.438623 
1 1 1    2   23   49 o   14.199   1.9501   25.199   6.3660   36.700   8.8046   12.600   9.2151   17.043   2.2422   9.8563   3.3318 7.186993 4.016011 
1 1 1    2   23   50 o   12.384   1.7860   19.281   5.0719   11.000   7.0820   28.000   7.2669   9.0727   2.9145   14.788   2.1435 -5.715661 3.617843 
1 1 1    2   23   51 o   18.888   2.9351   49.500   12.666   49.500   12.666   0.0000   0.0000   18.888   2.9351  ?   ?  0.000000 2.935136 
1 1 1    2   23   52 o   5.5137   2.0819   3.2000   3.7040   3.2000   3.7040   0.0000   0.0000   5.5137   2.0819  ?   ?  0.000000 2.081854 
1 1 1    2   23   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   23   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   24    0 o  389.489   32.018 19606.50  2899.00 19606.50  2899.00 19606.50  2899.00  389.489   32.018  389.489   32.018 0.000000 0.000000 
1 1 1    2   24    1 o  274.491   14.602  9203.82  943.072 10329.50  1335.36  8083.70  1332.06  286.868   19.835  251.343   22.688 35.52496 30.13597 
1 1 1    2   24    2 o  282.471   14.065  9700.99  938.147  7682.80  1322.94 11742.50  1330.57  244.562   23.185  307.147   18.431 -62.58456 29.61826 
1 1 1    2   24    3 o  198.487   9.3009  4712.34  435.932  5641.80  620.194  3804.70  612.872  215.854   12.218  176.026   14.884 39.82796 19.25636 
1 1 1    2   24    4 o  153.209   8.1094  2806.70  292.339  2944.40  414.420  2670.30  412.446  156.017   11.326  148.362   11.872 7.654709 16.40825 
1 1 1    2   24    5 o  277.865   13.461  9369.82  883.254 11168.60  1253.05  7593.50  1245.20  299.917   17.772  244.056   21.838 55.86118 28.15559 
1 1 1    2   24    6 o  188.348   10.253  4268.76  454.286  4096.10  643.223  4440.60  641.696  182.518   15.059  190.412   14.378 -7.893768 20.82019 
1 1 1    2   24    7 o  168.133   9.1606  3391.23  362.324  3001.40  512.656  3780.30  512.153  156.473   14.024  176.426   12.372 -19.95290 18.70081 
1 1 1    2   24    8 o  188.208   9.9315  4259.10  439.822  4459.40  623.645  4060.90  620.372  190.959   13.926  181.888   14.566 9.070404 20.15238 
1 1 1    2   24    9 o  162.708   7.5568  3154.54  290.339  3865.30  412.407  2456.10  408.818  179.302   9.7774  142.008   12.313 37.29460 15.72310 
1 1 1    2   24   10 o  217.956   11.553  5748.42  592.467  5117.70  836.831  6382.30  838.924  202.334   17.693  227.388   15.721 -25.05466 23.66788 
1 1 1    2   24   11 o   20.866   1.8870   51.856   9.1968   57.400   12.999   46.300   13.013   21.888   2.5637   19.577   2.9030 2.310595 3.872922 
1 1 1    2   24   12 o  100.840   5.4152  1210.36  128.474  1075.20  181.230  1346.90  182.153   94.516   8.2014  106.053   7.3184 -11.53678 10.99192 
1 1 1    2   24   13 o  161.013   8.7086  3113.11  329.880  3099.00  466.766  3127.20  466.276  159.242   12.514  160.001   12.439 -0.7592621 17.64445 
1 1 1    2   24   14 o   49.645   2.9920  292.550   34.911  265.200   49.372  319.900   49.372   47.089   4.4947   51.811   4.0682 -4.721489 6.062354 
1 1 1    2   24   15 o  128.783   6.9845  1983.87  211.607  2024.20  299.363  1943.60  299.153  129.262   9.8825  126.579   10.092 2.682945 14.12520 
1 1 1    2   24   16 o   20.980   2.0062   52.494   9.8179   33.300   14.072   70.700   13.705   16.444   3.7118   24.335   2.4169 -7.890781 4.429377 
1 1 1    2   24   17 o   96.147   5.3924  1102.70  121.933  1242.30  172.257  962.500  172.623  101.674   7.2217   89.166   8.2936 12.50797 10.99711 
1 1 1    2   24   18 o  161.288   8.7546  3145.35  332.177  3128.80  469.073  3162.00  470.470  158.887   12.606  159.751   12.573 -0.8637085 17.80434 
1 1 1    2   24   19 o   25.434   1.9909   76.940   11.862   84.700   16.786   69.200   16.765   26.616   2.7084   23.986   3.0273 2.630022 4.062057 
1 1 1    2   24   20 o  122.580   6.7261  1808.14  193.947  1830.70  273.766  1785.40  274.803  122.186   9.5648  120.577   9.7345 1.609116 13.64719 
1 1 1    2   24   21 o  110.661   5.8158  1470.00  151.440  1344.70  213.285  1597.40  215.064  104.760   8.7006  114.547   8.0013 -9.786819 11.82038 
1 1 1    2   24   22 o  145.080   7.8914  2566.46  269.331  2488.90  379.950  2644.80  381.840  140.355   11.567  144.965   11.243 -4.610336 16.13046 
1 1 1    2   24   23 o   79.723   4.4537  760.961   83.509  750.000  117.890  772.000  118.309   78.566   6.4103   79.743   6.3351 -1.176956 9.012546 
1 1 1    2   24   24 o   50.535   3.1013  304.502   36.830  325.400   51.898  283.300   52.274   52.028   4.2616   48.442   4.6260 3.586285 6.289792 
1 1 1    2   24   25 o  106.055   5.7230  1362.96  142.793  1269.60  201.311  1457.50  202.574  100.781   8.5395  108.402   7.9697 -7.621124 11.68068 
1 1 1    2   24   26 o  148.431   8.3008  2756.73  289.777  2695.90  408.911  2818.10  410.710  142.116   12.306  145.658   12.049 -3.541931 17.22292 
1 1 1    2   24   27 o   72.995   4.1045  640.659   70.461  621.200   99.166  660.500  100.136   71.171   5.9554   73.462   5.8202 -2.291069 8.327116 
1 1 1    2   24   28 o   63.609   3.5636  485.221   53.312  453.500   74.897  517.800   75.903   60.935   5.2566   65.253   4.9632 -4.317726 7.229474 
1 1 1    2   24   29 o   56.222   3.3156  378.930   43.824  376.000   61.763  381.900   62.191   55.566   4.7528   56.006   4.7472 -0.4395370 6.717548 
1 1 1    2   24   30 o  108.594   5.5474  1446.54  141.776  1238.10  199.158  1660.70  201.873   97.802   8.7149  114.635   7.4989 -16.83252 11.49712 
1 1 1    2   24   31 o   55.775   3.2936  373.852   43.186  367.200   60.857  380.600   61.293   54.760   4.7536   55.779   4.6972 -1.019947 6.682812 
1 1 1    2   24   32 o   90.966   5.2521  1020.13  112.338  1112.00  158.717  927.900  159.023   93.227   7.2671   84.361   8.0817 8.866020 10.86851 
1 1 1    2   24   33 o   17.127   1.8245   35.226   7.2652   37.300   10.098   33.000   10.460   17.503   2.5156   16.383   2.8048 1.120085 3.767628 
1 1 1    2   24   34 o   38.353   2.5292  176.746   22.777  181.900   32.070  171.500   32.355   38.588   3.5597   37.405   3.7121 1.182972 5.143037 
1 1 1    2   24   35 o   35.999   2.5213  156.170   21.297  171.500   29.861  140.300   30.383   37.426   3.4166   33.638   3.8972 3.788166 5.182803 
1 1 1    2   24   36 o   55.302   3.3613  373.704   43.686  405.500   61.730  341.800   61.834   56.764   4.6461   51.741   5.1284 5.022148 6.920032 
1 1 1    2   24   37 o   11.342   1.6906   15.650   4.3894   14.400   6.2075   16.900   6.2075   10.731   2.4967   11.666   2.3348 -0.9354343 3.418358 
1 1 1    2   24   38 o   25.213   1.9644   76.474   11.603   73.800   16.332   79.200   16.488   24.508   2.8768   25.427   2.7920 -0.9190750 4.008916 
1 1 1    2   24   39 o   60.702   3.6828  457.606   52.539  490.900   74.239  424.200   74.364   61.454   5.1637   56.616   5.6374 4.838062 7.644881 
1 1 1    2   24   40 o   21.473   1.8691   55.565   9.3829   59.300   13.243   51.800   13.296   21.988   2.6010   20.461   2.8275 1.526812 3.841826 
1 1 1    2   24   41 o   9.7918   1.6851   11.768   3.7557   11.000   5.2097   12.600   5.4192   9.3644   2.3576   10.022   2.3334 -0.6579180 3.317087 
1 1 1    2   24   42 o   23.110   1.8981   64.565   10.266   58.100   14.480   71.100   14.558   21.571   2.9177   24.019   2.6087 -2.447790 3.913804 
1 1 1    2   24   43 o   16.243   1.6947   31.973   6.4041   26.500   8.9943   37.600   9.1207   14.472   2.7322   17.465   2.2649 -2.993327 3.548860 
1 1 1    2   24   44 o   35.388   2.4284  154.111   20.170  169.900   28.515  138.300   28.534   36.521   3.3435   32.603   3.7763 3.918438 5.043745 
1 1 1    2   24   45 o   33.410   2.3935  137.829   18.758  150.400   26.445  125.100   26.611   34.243   3.3119   30.891   3.7231 3.351515 4.982983 
1 1 1    2   24   46 o   10.649   1.7332   14.021   4.2083   17.500   5.9339   10.500   5.9692   11.784   2.2138   9.0814   2.6313 2.702277 3.438731 
1 1 1    2   24   47 o   7.1741   1.8591   6.4842   3.1751   6.1000   4.0460   7.1000   5.1226   7.0463   2.1954   7.6360   2.4812 -0.5897055 3.313077 
1 1 1    2   24   48 o   11.077   1.8333   15.324   4.6277   16.700   6.2063   13.600   6.9449   11.389   2.3843   10.172   2.8020 1.216595 3.679090 
1 1 1    2   24   49 o   11.795   1.8801   17.528   5.0609   22.900   6.9875   11.600   7.3398   13.330   2.3032   9.3576   2.9630 3.972256 3.752869 
1 1 1    2   24   50 o   5.2827   2.0674   2.4000   3.7454   2.4000   3.7454   0.0000   0.0000   5.2827   2.0674  ?   ?  0.000000 2.067449 
1 1 1    2   24   51 o   4.7202   1.9621   1.1000   3.6077   1.1000   3.6077   0.0000   0.0000   4.7202   1.9621  ?   ?  0.000000 1.962113 
1 1 1    2   24   52 o   7.3304   2.5286   7.1000   5.3122   7.1000   5.3122   0.0000   0.0000   7.3304   2.5286  ?   ?  0.000000 2.528598 
1 1 1    2   24   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   25    0 o   92.069   7.3753  1024.10  157.978  1024.10  157.978  1024.10  157.978   92.069   7.3753   92.069   7.3753 0.000000 0.000000 
1 1 1    2   25    1 o  247.829   13.447  7476.42  783.984  7860.60  1108.99  7092.60  1108.45  250.546   18.883  237.126   19.982 13.42026 27.49312 
1 1 1    2   25    2 o   75.642   3.8860  678.918   69.176  832.100   98.427  529.400   97.243   83.638   5.0067   66.468   6.2697 17.17043 8.023464 
1 1 1    2   25    3 o   79.671   4.5186  754.237   84.659  723.000  120.185  785.000  119.271   77.711   6.6123   81.050   6.2810 -3.338417 9.119921 
1 1 1    2   25    4 o  187.594   9.6546  4226.82  426.226  4624.90  604.710  3833.80  600.859  194.832   13.222  176.738   14.526 18.09421 19.64243 
1 1 1    2   25    5 o   27.948   2.1017   92.812   13.769   95.300   19.625   90.400   19.322   28.233   2.9892   27.485   3.0274 0.7483177 4.254441 
1 1 1    2   25    6 f   82.561   4.5058  809.839   87.513  851.400  124.078  768.700  123.447   84.420   6.2690   80.142   6.5813 4.277985 9.089183 
1 1 1    2   25    7 o  127.599   6.9772  1943.47  209.430  1860.10  296.568  2026.40  295.793  124.050   10.215  129.645   9.7331 -5.595345 14.10960 
1 1 1    2   25    8 f  130.442   6.6657  2029.25  204.631  2271.80  290.295  1789.70  288.498  137.491   8.9909  121.663   10.134 15.82794 13.54765 
1 1 1    2   25    9 o  107.219   5.9957  1370.05  151.194  1188.80  214.086  1550.40  213.556   99.192   9.2467  113.683   8.0064 -14.49126 12.23124 
1 1 1    2   25   10 o  280.996   12.221  9576.64  810.875 12895.90  1153.50  6333.90  1140.12  323.834   15.085  221.134   22.131 102.6995 26.78302 
1 1 1    2   25   11 f  169.525   9.0944  3454.87  362.727  3749.10  513.477  3161.80  512.470  175.258   12.489  160.354   13.664 14.90448 18.51198 
1 1 1    2   25   12 o  119.229   6.3725  1696.30  178.761  1488.10  252.473  1905.60  253.141  110.848   9.7445  125.871   8.5677 -15.02364 12.97542 
1 1 1    2   25   13 o  260.563   14.292  8378.33  876.034  8713.30  1239.59  8044.10  1238.21  260.097   20.345  248.909   21.271 11.18761 29.43392 
1 1 1    2   25   14 o  118.243   6.4350  1670.73  178.998  1642.10  253.041  1699.40  253.242  116.478   9.2769  118.554   9.1159 -2.076164 13.00616 
1 1 1    2   25   15 o  156.969   7.7694  2951.25  287.979  3506.30  408.918  2405.10  405.630  169.919   10.239  139.669   12.429 30.24989 16.10335 
1 1 1    2   25   16 o   80.714   4.3548  775.260   82.694  874.100  117.390  677.900  116.508   85.461   5.8522   75.053   6.6426 10.40840 8.852833 
1 1 1    2   25   17 o   99.248   5.4458  1176.62  127.140  1260.00  179.939  1093.50  179.668  102.193   7.5092   94.998   8.0862 7.194832 11.03514 
1 1 1    2   25   18 o  159.389   8.3966  3078.34  314.913  2666.50  444.623  3492.90  446.090  145.683   13.063  168.102   11.304 -22.41820 17.27505 
1 1 1    2   25   19 o   92.243   4.9772  1016.87  108.012  958.900  152.188  1075.70  153.322   88.946   7.3106   94.360   6.9295 -5.413788 10.07284 
1 1 1    2   25   20 o   41.908   2.6494  208.812   26.083  210.500   36.757  207.100   37.019   41.931   3.7519   41.579   3.8128 0.3523941 5.349258 
1 1 1    2   25   21 o   60.892   3.5261  441.944   50.485  440.800   71.219  443.100   71.574   60.520   5.0290   60.676   5.0411 -0.1559753 7.120670 
1 1 1    2   25   22 o   36.177   2.3673  155.671   20.112  191.500   28.474  120.000   28.411   40.056   3.0328   31.511   3.9016 8.545361 4.941753 
1 1 1    2   25   23 o   65.421   3.7300  511.480   57.384  497.200   80.956  525.900   81.353   64.077   5.4007   65.952   5.2677 -1.874565 7.544271 
1 1 1    2   25   24 o  114.304   6.4096  1593.17  172.305  1679.40  243.435  1506.60  243.919  115.630   8.9862  109.055   9.5687 6.575012 13.12671 
1 1 1    2   25   25 o   58.748   3.3808  412.693   46.702  397.000   65.722  428.700   66.376   57.217   4.9120   59.518   4.7627 -2.301228 6.841812 
1 1 1    2   25   26 o   12.232   1.7967   18.091   5.0349   18.900   6.9534   17.200   7.3000   12.403   2.4609   11.799   2.6810 0.6040344 3.639199 
1 1 1    2   25   27 o   58.926   3.5328  416.443   48.931  445.300   68.970  387.200   69.429   60.527   4.8667   56.267   5.2875 4.259747 7.186233 
1 1 1    2   25   28 o   51.513   3.1323  317.733   37.921  336.400   53.510  298.900   53.748   52.681   4.3402   49.542   4.6488 3.139091 6.359906 
1 1 1    2   25   29 o   46.573   2.9280  259.646   32.037  280.300   45.148  238.700   45.467   48.117   4.0101   44.259   4.4090 3.857372 5.959901 
1 1 1    2   25   30 o   28.563   2.1419   97.439   14.342  104.500   20.157   90.200   20.409   29.443   2.9385   27.271   3.2322 2.171772 4.368284 
1 1 1    2   25   31 o   20.307   1.8446   49.324   8.7486   46.000   12.152   52.900   12.605   19.452   2.7200   20.907   2.6101 -1.454670 3.769773 
1 1 1    2   25   32 o   29.161   2.1411  101.729   14.640  104.900   20.611   98.500   20.800   29.431   3.0080   28.476   3.1457 0.9550991 4.352449 
1 1 1    2   25   33 o   56.102   3.3138  381.153   43.706  368.700   61.571  393.800   62.050   54.413   4.8425   56.325   4.7085 -1.911720 6.754268 
1 1 1    2   25   34 o   39.366   2.5692  186.618   23.752  189.200   33.474  184.000   33.708   39.253   3.6533   38.672   3.7379 0.5818100 5.226698 
1 1 1    2   25   35 o   23.202   1.9114   64.605   10.379   63.100   14.470   66.200   14.895   22.732   2.7518   23.288   2.7625 -0.5560284 3.899242 
1 1 1    2   25   36 o   20.398   1.8221   50.004   8.6843   55.200   12.277   44.800   12.286   21.286   2.4896   19.061   2.8142 2.224667 3.757347 
1 1 1    2   25   37 o   41.622   2.6478  210.028   25.888  206.500   36.499  213.600   36.724   40.690   3.8442   41.415   3.7975 -0.7246628 5.403545 
1 1 1    2   25   38 o   54.016   3.3067  358.686   41.975  347.000   59.452  370.300   59.271   51.920   4.9074   53.817   4.7115 -1.896694 6.802989 
1 1 1    2   25   39 o   50.711   3.0200  314.766   35.999  284.800   50.798  345.000   51.024   47.127   4.6242   52.281   4.1676 -5.153976 6.225159 
1 1 1    2   25   40 o   18.796   1.7962   42.614   7.8752   47.500   11.122   37.700   11.153   19.686   2.4451   17.400   2.8102 2.286730 3.725031 
1 1 1    2   25   41 o   22.531   1.8888   61.328   9.9562   54.600   14.058   68.100   14.103   20.917   2.9263   23.529   2.5806 -2.612452 3.901634 
1 1 1    2   25   42 o   17.388   1.7563   36.629   7.1124   32.100   9.9819   41.300   10.137   15.973   2.7454   18.282   2.4066 -2.309051 3.650836 
1 1 1    2   25   43 f   41.458   2.7147  212.570   26.430  234.000   37.360  191.100   37.394   42.655   3.7471   38.105   4.2271 4.550377 5.648838 
1 1 1    2   25   44 o   20.993   1.8987   53.709   9.3100   59.600   13.101   47.700   13.232   21.842   2.5906   19.333   2.9955 2.509737 3.960308 
1 1 1    2   25   45 o   16.197   1.7567   32.022   6.6111   34.900   9.3140   29.100   9.3855   16.679   2.4367   15.090   2.7346 1.589530 3.662750 
1 1 1    2   25   46 f   29.285   2.2035  105.701   15.126  114.300   21.329   97.000   21.456   29.892   3.0650   27.277   3.4053 2.615309 4.581515 
1 1 1    2   25   47 o   16.550   1.8662   33.725   7.1661   41.400   9.9934   25.600   10.282   18.136   2.3918   13.861   3.2052 4.274991 3.999273 
1 1 1    2   25   48 o   9.1211   2.0026   10.627   4.1950   16.100   5.6128   3.7000   6.3143   11.209   2.1991   6.7254   2.6680 4.483522 3.457500 
1 1 1    2   25   49 o   14.992   1.8490   28.232   6.4072   27.300   8.5910   29.400   9.6181   14.319   2.6380   14.727   2.8690 -0.4074907 3.897431 
1 1 1    2   25   50 o   3.6561   1.6311  -0.9000   2.8624  -0.9000   2.8624   0.0000   0.0000   3.6561   1.6311  ?   ?  0.000000 1.631142 
1 1 1    2   25   51 o   11.820   2.8023   19.900   7.7024   19.900   7.7024   0.0000   0.0000   11.820   2.8023  ?   ?  0.000000 2.802327 
1 1 1    2   25   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   25   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   26    0 o   27.138   3.1586   90.500   19.525   90.500   19.525   90.500   19.525   27.138   3.1586   27.138   3.1586 0.000000 0.000000 
1 1 1    2   26    1 o  204.126   10.927  5030.78  524.810  5375.60  742.972  4687.40  741.417  208.929   15.163  194.404   16.301 14.52444 22.26308 
1 1 1    2   26    2 o  238.652   12.901  6930.16  724.313  5593.10  1024.24  8267.70  1024.43  209.238   21.014  258.047   16.905 -48.80846 26.97000 
1 1 1    2   26    3 o  126.835   6.5468  1918.11  195.409  1288.60  276.080  2550.10  276.621  102.706   11.586  145.951   8.0575 -43.24451 14.11235 
1 1 1    2   26    4 o  131.656   7.2303  2070.86  223.919  1879.20  316.969  2261.80  316.369  124.455   10.895  136.939   9.8495 -12.48440 14.68746 
1 1 1    2   26    5 o   82.656   4.6269  812.148   89.944  781.200  127.402  842.900  126.999   80.749   6.7433   83.947   6.4562 -3.198090 9.335671 
1 1 1    2   26    6 o  163.563   7.9548  3194.27  307.240  3706.20  436.389  2691.10  432.641  175.127   10.603  148.456   12.457 26.67070 16.35795 
1 1 1    2   26    7 o   75.662   4.0548  679.853   72.181  743.100  102.487  617.600  101.678   78.924   5.5342   71.836   6.0504 7.087212 8.199634 
1 1 1    2   26    8 o  146.823   8.0219  2582.81  277.068  2427.20  392.219  2737.80  391.447  141.091   11.883  150.190   11.116 -9.099106 16.27219 
1 1 1    2   26    9 o  218.102   10.815  5740.95  556.983  6600.80  790.263  4892.20  785.148  231.453   14.533  197.608   16.991 33.84488 22.35885 
1 1 1    2   26   10 o   98.404   5.3754  1153.26  124.434  870.100  175.964  1436.50  175.989   84.727   8.9296  109.586   6.8350 -24.85868 11.24520 
1 1 1    2   26   11 o   40.371   2.5963  193.496   24.619  189.900   34.797  197.100   34.836   39.872   3.7396   40.636   3.6700 -0.7637596 5.239564 
1 1 1    2   26   12 o  243.335   13.283  7285.02  760.364  6834.70  1074.56  7736.60  1076.07  229.928   19.990  246.059   18.659 -16.13020 27.34534 
1 1 1    2   26   13 o   87.469   4.7503  910.822   97.747  1063.70  138.383  758.600  138.086   94.276   6.2516   79.294   7.4626 14.98197 9.735141 
1 1 1    2   26   14 o  132.589   7.1209  2108.86  222.132  1929.80  313.842  2288.60  314.442  125.578   10.685  137.208   9.7689 -11.63000 14.47778 
1 1 1    2   26   15 o  215.856   10.592  5678.50  539.907  7030.20  766.579  4348.00  760.545  237.336   13.737  183.110   17.815 54.22632 22.49622 
1 1 1    2   26   16 o   67.525   3.7789  542.486   60.012  473.500   84.679  612.100   85.063   62.734   5.7813   71.532   5.0687 -8.798000 7.688647 
1 1 1    2   26   17 o  163.826   8.9776  3268.75  345.975  3248.80  488.654  3288.80  489.914  160.685   12.990  161.715   12.938 -1.030136 18.33343 
1 1 1    2   26   18 o  160.520   8.5825  3140.81  324.137  3456.70  459.379  2827.60  457.424  166.159   11.785  149.199   13.117 16.95972 17.63303 
1 1 1    2   26   19 o   32.425   2.2946  125.054   17.456  106.600   24.757  143.300   24.616   29.747   3.5975   34.634   3.0408 -4.886564 4.710470 
1 1 1    2   26   20 o   84.281   4.6443  850.591   92.074  794.800  129.913  906.900  130.514   80.786   6.8755   86.489   6.4366 -5.702744 9.418164 
1 1 1    2   26   21 o  133.337   7.3846  2172.61  231.603  2190.80  327.874  2154.50  327.199  131.543   10.647  130.382   10.723 1.161942 15.11048 
1 1 1    2   26   22 o   46.629   2.9164  259.136   31.950  275.900   45.004  242.100   45.368   47.924   4.0137   44.804   4.3427 3.120979 5.913444 
1 1 1    2   26   23 o   67.715   3.9109  549.279   62.269  586.500   87.969  511.900   88.156   69.536   5.3997   64.794   5.8240 4.742455 7.942014 
1 1 1    2   26   24 o   84.419   4.6879  859.405   93.083  816.200  131.419  902.900  131.859   81.272   6.9135   85.688   6.5667 -4.415947 9.535108 
1 1 1    2   26   25 o   50.385   3.1147  303.483   36.876  328.300   51.961  278.300   52.342   52.140   4.2574   47.860   4.6918 4.280186 6.335500 
1 1 1    2   26   26 o   75.605   3.8771  686.618   68.985  569.400   96.817  807.500   98.318   67.965   6.0974   81.496   5.1353 -13.53065 7.971785 
1 1 1    2   26   27 o   31.635   2.1939  119.323   16.287  111.300   22.925  127.500   23.143   30.366   3.2475   32.563   3.0452 -2.197268 4.451895 
1 1 1    2   26   28 o   43.653   2.6326  227.595   27.010  205.300   37.862  250.700   38.544   41.152   3.9446   45.602   3.6089 -4.449345 5.346406 
1 1 1    2   26   29 o   58.085   3.3691  405.483   46.012  385.900   64.878  425.300   65.266   56.093   4.9488   59.001   4.7242 -2.908031 6.841703 
1 1 1    2   26   30 o   64.420   3.7829  501.585   57.292  523.000   80.864  480.000   81.184   65.069   5.3091   62.172   5.5896 2.896847 7.709085 
1 1 1    2   26   31 o   19.736   1.8634   46.661   8.5813   51.200   12.056   42.000   12.217   20.562   2.5368   18.520   2.8878 2.042459 3.843803 
1 1 1    2   26   32 o   31.993   2.2373  122.622   16.795  119.900   23.634  125.400   23.872   31.387   3.2351   32.119   3.1896 -0.7317715 4.543093 
1 1 1    2   26   33 o   74.368   4.2600  682.408   74.498  649.500  104.974  715.800  105.743   70.723   6.3535   74.567   6.0578 -3.843697 8.778636 
1 1 1    2   26   34 o   27.653   1.8864   91.531   12.244   71.100   16.955  113.800   17.701   24.072   3.0513   30.711   2.4616 -6.638384 3.920474 
1 1 1    2   26   35 o   41.241   2.5678  205.445   24.883  190.700   34.783  220.900   35.610   39.203   3.8053   42.322   3.5973 -3.118824 5.236504 
1 1 1    2   26   36 o   9.2370   1.8947   10.554   3.9940   11.100   5.1126   9.7000   6.3978   9.4309   2.3133   8.9478   2.7562 0.4831123 3.598348 
1 1 1    2   26   37 o   39.144   2.5230  185.509   23.197  176.800   32.728  194.300   32.883   37.666   3.7286   39.593   3.5550 -1.926903 5.151727 
1 1 1    2   26   38 o   44.547   2.8137  241.761   29.446  247.100   41.600  236.400   41.686   44.344   4.0164   43.294   4.1275 1.049740 5.759161 
1 1 1    2   26   39 o   29.476   2.1479  104.899   14.847  103.300   20.993  106.500   21.001   28.899   3.1262   29.370   3.0737 -0.4707603 4.384086 
1 1 1    2   26   40 o   21.893   1.8951   57.884   9.7006   62.000   13.662   53.700   13.776   22.441   2.6280   20.776   2.8859 1.664604 3.903152 
1 1 1    2   26   41 o   17.179   1.7445   35.721   6.9785   32.600   9.8234   38.900   9.9153   16.140   2.6709   17.741   2.4307 -1.601328 3.611372 
1 1 1    2   26   42 o   21.947   1.9130   58.448   9.8148   66.900   13.841   49.900   13.920   23.254   2.5633   19.845   3.0695 3.408861 3.999027 
1 1 1    2   26   43 o   11.533   1.7072   16.326   4.5088   17.500   6.3085   15.100   6.4467   11.773   2.3515   10.874   2.5541 0.8992815 3.471721 
1 1 1    2   26   44 o   44.294   2.8245  245.660   29.389  228.800   41.452  262.700   41.674   41.218   4.3233   44.568   4.0025 -3.350327 5.891580 
1 1 1    2   26   45 o   24.527   1.9690   73.524   11.308   69.700   15.937   77.400   16.047   23.396   2.9503   24.759   2.7936 -1.362837 4.063072 
1 1 1    2   26   46 o   41.115   2.7831  213.384   26.861  227.500   37.876  199.100   38.101   41.162   3.9451   38.054   4.3164 3.107933 5.847618 
1 1 1    2   26   47 o   22.282   1.8428   60.999   9.6089   52.500   13.130   70.800   14.100   20.133   2.8407   23.600   2.5718 -3.466814 3.831881 
1 1 1    2   26   48 o   8.3151   1.8232   8.8210   3.4813   6.8000   4.7820   11.100   5.0780   7.3674   2.3975   9.2014   2.3336 -1.833994 3.345730 
1 1 1    2   26   49 o   8.3497   2.0539   9.1419   4.0216  -2.0000   5.6124   20.900   5.7655   4.9709   2.2453   12.769   1.9760 -7.797945 2.990975 
1 1 1    2   26   50 o   9.6679   2.7176   13.100   6.4622   13.100   6.4622   0.0000   0.0000   9.6679   2.7176  ?   ?  0.000000 2.717564 
1 1 1    2   26   51 o  ?   ?  -11.0000   2.3953 -11.0000   2.3953   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    2   26   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   27    0 o  157.218   12.332  3011.00  451.334  3011.00  451.334  3011.00  451.334  157.218   12.332  157.218   12.332 0.000000 0.000000 
1 1 1    2   27    1 o  214.638   11.665  5588.87  589.002  5681.50  832.869  5496.20  833.080  213.502   16.652  209.765   16.964 3.736954 23.77082 
1 1 1    2   27    2 o  100.077   5.2698  1191.75  124.096  1303.50  176.096  1081.50  174.905  104.341   7.1911   94.856   7.8800 9.484558 10.66797 
1 1 1    2   27    3 o  104.918   5.8303  1311.73  143.877  1255.90  204.089  1366.90  202.862  102.112   8.5425  106.658   8.1155 -4.545204 11.78291 
1 1 1    2   27    4 o   82.296   4.6970  805.500   90.898  663.800  128.709  946.500  128.391   74.240   7.4421   89.016   6.1457 -14.77576 9.651662 
1 1 1    2   27    5 o  131.482   6.8695  2064.78  212.542  2223.50  301.652  1908.30  299.519  135.771   9.4682  125.515   10.194 10.25568 13.91254 
1 1 1    2   27    6 o  215.871   8.5908  5581.43  437.917  7550.70  624.707  3678.80  614.046  250.166   10.575  172.052   15.273 78.11432 18.57662 
1 1 1    2   27    7 o  130.837   7.0291  2047.10  216.371  2095.00  307.120  1999.90  304.883  131.534   9.9619  128.441   10.135 3.092987 14.21099 
1 1 1    2   27    8 o  236.420   10.593  6755.59  591.403  8458.70  841.425  5092.80  831.406  262.255   13.634  200.509   17.743 61.74648 22.37638 
1 1 1    2   27    9 o  130.983   7.2319  2054.87  222.814  1826.30  315.400  2282.60  314.814  122.290   11.041  137.287   9.7748 -14.99700 14.74640 
1 1 1    2   27   10 o  126.747   7.0187  1923.99  209.249  1635.90  296.174  2211.10  295.672  115.635   10.978  135.197   9.3184 -19.56194 14.39985 
1 1 1    2   27   11 o   83.365   4.5336  827.105   88.911  645.500  125.637  1009.30  125.840   73.095   7.3800   91.893   5.8295 -18.79869 9.404616 
1 1 1    2   27   12 o  175.909   9.4693  3750.45  391.894  4100.10  554.663  3401.90  553.782  181.914   12.998  164.760   14.378 17.15433 19.38218 
1 1 1    2   27   13 o   99.168   5.4584  1174.59  127.327  1167.20  180.012  1182.00  180.124   98.266   7.8225   98.904   7.7752 -0.6383591 11.02930 
1 1 1    2   27   14 o  190.497   10.176  4437.39  456.073  5058.30  645.904  3820.00  644.070  200.664   13.713  172.406   16.003 28.25838 21.07492 
1 1 1    2   27   15 o  192.391   10.008  4534.04  453.115  5248.50  642.527  3827.20  639.090  204.170   13.402  172.050   15.911 32.11955 20.80272 
1 1 1    2   27   16 o   51.414   3.0627  314.338   37.014  340.200   52.460  288.700   52.232   53.334   4.1995   49.044   4.5625 4.289833 6.200960 
1 1 1    2   27   17 o   46.039   2.8450  252.092   30.778  248.400   43.196  255.900   43.864   45.527   4.0606   46.215   4.0606 -0.6875381 5.742569 
1 1 1    2   27   18 o   70.047   3.5758  584.449   58.949  726.700   83.999  446.400   82.749   77.920   4.5854   60.714   5.8440 17.20566 7.428185 
1 1 1    2   27   19 o   86.663   4.8505  900.914   98.864  892.800  139.934  909.000  139.694   85.555   6.9876   86.363   6.9078 -0.8080444 9.825688 
1 1 1    2   27   20 o   31.317   2.2180  116.725   16.296  121.700   22.988  111.700   23.104   31.864   3.0942   30.488   3.2597 1.375917 4.494440 
1 1 1    2   27   21 o   17.059   1.8822   34.858   7.4556   27.200   10.732   42.000   10.365   14.850   3.1578   18.671   2.4069 -3.821531 3.970476 
1 1 1    2   27   22 o   32.914   2.2745  129.020   17.569  131.500   25.002  126.600   24.694   33.086   3.2419   32.453   3.2668 0.6324043 4.602350 
1 1 1    2   27   23 o   15.633   1.8619   29.345   6.7378   30.800   9.3895   27.800   9.6741   15.905   2.5891   15.053   2.8254 0.8518877 3.832298 
1 1 1    2   27   24 o  110.253   6.1336  1488.54  159.057  1532.80  225.487  1444.70  224.397  109.880   8.7633  106.448   9.0119 3.432098 12.57020 
1 1 1    2   27   25 o   19.045   1.8394   43.363   8.1691   44.600   11.495   42.100   11.611   19.200   2.6026   18.624   2.7205 0.5763054 3.764937 
1 1 1    2   27   26 o   34.695   2.3326  143.582   19.000  138.700   26.819  148.500   26.920   33.903   3.3957   35.115   3.2847 -1.211601 4.724375 
1 1 1    2   27   27 o   82.427   4.6951  824.961   91.007  845.800  128.514  804.000  128.893   82.331   6.6677   80.121   6.8794 2.209297 9.580397 
1 1 1    2   27   28 o   39.058   2.6008  182.468   23.850  202.600   33.590  162.000   33.870   40.959   3.5068   36.464   3.9992 4.494537 5.318959 
1 1 1    2   27   29 f   75.099   4.2079  684.558   74.321  625.900  104.891  743.700  105.323   70.576   6.3622   77.351   5.8087 -6.774796 8.615026 
1 1 1    2   27   30 o   39.025   2.3621  182.139   21.665  154.800   30.284  210.800   31.007   35.640   3.6499   41.791   3.1655 -6.150898 4.831375 
1 1 1    2   27   31 o   25.074   1.8615   75.133   10.943   58.600   15.205   92.900   15.762   21.889   3.0222   27.789   2.4263 -5.900070 3.875625 
1 1 1    2   27   32 o   64.604   3.7589  510.130   57.095  491.200   80.389  529.400   81.106   62.181   5.5327   64.709   5.3561 -2.527637 7.700587 
1 1 1    2   27   33 o   39.745   2.5921  190.466   24.194  191.400   33.932  189.500   34.507   39.431   3.6870   39.195   3.7749 0.2355499 5.276762 
1 1 1    2   27   34 o   31.193   2.2201  117.054   16.246  114.100   22.799  120.100   23.154   30.487   3.2155   31.300   3.1768 -0.8129139 4.520150 
1 1 1    2   27   35 o   15.236   1.6626   27.963   5.8845   23.500   8.1200   32.900   8.5398   13.750   2.5960   16.415   2.2633 -2.664787 3.444080 
1 1 1    2   27   36 o   35.845   2.4406  155.351   20.535  159.000   28.841  151.600   29.245   35.854   3.4491   34.935   3.5965 0.9198647 4.983081 
1 1 1    2   27   37 o   16.463   1.7438   32.689   6.6760   31.900   9.3786   33.500   9.5053   16.070   2.5571   16.486   2.5218 -0.4158669 3.591443 
1 1 1    2   27   38 o   61.479   3.7213  470.592   53.769  490.900   75.963  450.200   76.121   61.204   5.3086   58.279   5.6003 2.924820 7.716494 
1 1 1    2   27   39 o   30.645   2.2011  113.662   15.822  122.900   22.361  104.400   22.389   31.533   3.0408   28.907   3.3416 2.626173 4.518044 
1 1 1    2   27   40 o   15.751   1.8358   30.143   6.7001   32.600   9.2252   27.400   9.7473   16.209   2.4898   14.709   2.9094 1.500573 3.829336 
1 1 1    2   27   41 o   17.424   1.7846   36.822   7.2388   42.900   10.219   30.700   10.256   18.643   2.3752   15.555   2.8988 3.088570 3.747658 
1 1 1    2   27   42 o   8.8156   1.6904   9.6379   3.3909   9.4000   4.6838   9.9000   4.9155   8.6291   2.2686   8.8486   2.3230 -0.2195148 3.246964 
1 1 1    2   27   43 o   16.892   1.7631   34.760   6.9290   32.100   9.7276   37.500   9.8723   15.911   2.6846   17.303   2.4878 -1.391588 3.660122 
1 1 1    2   27   44 o   19.430   1.8779   46.103   8.5083   57.000   11.976   35.000   12.090   21.407   2.4113   16.368   3.2425 5.038767 4.040820 
1 1 1    2   27   45 o   27.078   2.0934   90.088   13.281   84.100   18.764   96.100   18.801   25.523   3.1825   27.465   2.9450 -1.941782 4.336035 
1 1 1    2   27   46 o   4.8304   1.7873   2.2647   2.7023   5.7000   3.3821  -3.8000   4.4938   6.7583   1.9872   4.1049   1.9102 2.653392 2.756384 
1 1 1    2   27   47 o   18.088   2.0134   40.878   8.4537   51.300   11.653   29.300   12.283   19.991   2.5248   14.433   3.6123 5.557822 4.407250 
1 1 1    2   27   48 o   15.000   1.8526   28.293   6.4224   14.600   8.9694   42.700   9.2003   10.228   3.2794   18.273   2.1750 -8.045023 3.935086 
1 1 1    2   27   49 o   25.830   2.1321   85.951   12.889   93.900   18.343   78.200   18.114   25.925   3.0550   23.233   3.4025 2.691357 4.572762 
1 1 1    2   27   50 o   6.6583   2.4397   5.3000   5.0153   5.3000   5.0153   0.0000   0.0000   6.6583   2.4397  ?   ?  0.000000 2.439656 
1 1 1    2   27   51 o   13.820   2.9106   27.500   9.1981   27.500   9.1981   0.0000   0.0000   13.820   2.9106  ?   ?  0.000000 2.910612 
1 1 1    2   28    0 o  109.122   8.6669  1443.00  220.084  1443.00  220.084  1443.00  220.084  109.122   8.6669  109.122   8.6669 -0.000000 0.000000 
1 1 1    2   28    1 o  181.333   7.7970  3931.44  333.862  5112.80  475.199  2779.90  469.162  206.058   9.7662  150.144   13.373 55.91422 16.55930 
1 1 1    2   28    2 f  161.399   7.7109  3113.97  293.881  3748.40  417.619  2491.60  413.630  176.040   10.088  142.497   12.417 33.54370 15.99844 
1 1 1    2   28    3 o  104.320   5.7228  1297.61  140.435  1060.20  198.631  1534.90  198.579   93.523   9.1100  113.112   7.4769 -19.58914 11.78539 
1 1 1    2   28    4 o   48.155   2.9553  275.329   33.442  268.700   47.584  281.800   47.011   47.419   4.2962   48.591   4.1365 -1.171776 5.963914 
1 1 1    2   28    5 o  159.680   7.1879  3044.77  271.027  3803.00  385.966  2307.20  380.669  177.581   9.2361  137.211   11.866 40.37086 15.03666 
1 1 1    2   28    6 o   65.442   3.8301  509.059   58.930  445.000   83.476  572.700   83.204   60.877   5.8802   69.253   5.1243 -8.376530 7.799689 
1 1 1    2   28    7 o   38.945   2.5936  180.154   23.715  146.800   33.642  213.100   33.435   34.946   4.1584   42.293   3.3760 -7.347229 5.356321 
1 1 1    2   28    8 o   95.047   5.2833  1077.26  118.110  1049.00  167.508  1105.20  166.563   93.277   7.6730   95.822   7.4191 -2.544739 10.67322 
1 1 1    2   28    9 o   91.330   4.9285  993.937  105.897  1059.80  150.351  929.100  149.176   93.931   6.8252   87.815   7.2590 6.115623 9.963753 
1 1 1    2   28   10 o  121.577   6.6533  1771.89  190.284  1752.50  269.732  1791.10  268.477  119.937   9.6045  121.320   9.4461 -1.382423 13.47125 
1 1 1    2   28   11 o  143.707   7.3187  2484.01  247.535  2776.80  351.331  2195.40  348.817  150.826   9.9199  133.444   11.173 17.38235 14.94090 
1 1 1    2   28   12 o  124.941   6.9234  1877.45  203.462  1732.30  288.037  2022.00  287.440  118.645   10.386  128.644   9.5301 -9.998932 14.09552 
1 1 1    2   28   13 o  139.296   7.6021  2344.14  249.109  2308.80  351.991  2379.60  352.597  136.563   11.009  138.744   10.849 -2.180954 15.45594 
1 1 1    2   28   14 o  208.812   11.655  5434.70  572.398  5410.10  809.489  5459.30  809.499  202.351   17.101  203.385   17.011 -1.033890 24.12148 
1 1 1    2   28   15 o   14.826   1.7676   26.355   6.0660   24.100   8.5872   28.600   8.5700   14.032   2.6895   15.355   2.4456 -1.323460 3.635146 
1 1 1    2   28   16 o   96.935   5.1988  1126.88  118.567  981.900  167.239  1273.40  168.122   89.509   7.9966  102.437   6.9921 -12.92761 10.62237 
1 1 1    2   28   17 o   70.359   3.9928  591.269   66.065  580.100   93.301  602.500   93.559   69.263   5.7567   70.624   5.6576 -1.360832 8.071439 
1 1 1    2   28   18 o   52.288   3.0382  325.641   37.352  352.300   53.345  300.000   52.317   54.185   4.2021   49.918   4.4863 4.267769 6.146872 
1 1 1    2   28   19 o   60.999   3.4059  443.933   48.863  394.300   68.682  494.800   69.531   57.084   5.1507   64.138   4.6219 -7.053696 6.920393 
1 1 1    2   28   20 o   37.471   2.4642  167.202   21.682  160.400   30.667  174.000   30.658   36.517   3.6034   38.076   3.4472 -1.558971 4.986778 
1 1 1    2   28   21 o   62.126   3.6199  461.998   52.875  465.200   74.796  458.800   74.758   61.912   5.1632   61.470   5.1991 0.4417496 7.327299 
1 1 1    2   28   22 o   45.241   2.8096  244.206   29.867  231.900   42.163  256.600   42.313   43.815   4.1237   46.157   3.9192 -2.341415 5.689038 
1 1 1    2   28   23 o   54.849   3.2251  359.802   41.587  346.900   58.593  372.900   59.035   53.473   4.6876   55.499   4.5446 -2.025116 6.528917 
1 1 1    2   28   24 o   45.719   2.8754  249.776   30.884  237.500   43.813  261.900   43.541   44.263   4.2439   46.565   3.9987 -2.302258 5.830960 
1 1 1    2   28   25 o   23.969   1.9973   68.592   11.202   74.000   15.711   63.000   15.975   24.790   2.7292   22.791   3.0445 1.999077 4.088727 
1 1 1    2   28   26 o   67.667   3.8601  551.594   61.423  508.300   86.710  595.200   87.022   64.157   5.7858   69.686   5.3288 -5.528847 7.865806 
1 1 1    2   28   27 o   64.693   3.7258  504.560   56.677  459.700   79.940  549.900   80.367   60.943   5.6182   66.946   5.1227 -6.002918 7.603032 
1 1 1    2   28   28 o   43.910   2.7329  230.921   28.197  249.100   39.964  212.900   39.789   45.331   3.7676   41.787   4.0845 3.544003 5.556778 
1 1 1    2   28   29 o   6.6461   2.1176   5.1460   3.7445   0.5000   5.4855   9.2000   5.1241   5.7060   2.3990   8.6610   2.4148 -2.954977 3.403890 
1 1 1    2   28   30 o   23.308   1.9206   65.030   10.477   71.600   15.079   58.900   14.567   24.319   2.6699   21.983   2.8751 2.336056 3.923584 
1 1 1    2   28   31 o   32.950   2.2914  130.300   17.718  132.800   25.057  127.800   25.057   32.998   3.2582   32.343   3.3284 0.6552353 4.657696 
1 1 1    2   28   32 o   17.145   1.8565   35.404   7.3957   34.400   10.478   36.400   10.441   16.704   2.7522   17.217   2.6533 -0.5133286 3.822904 
1 1 1    2   28   33 o   10.802   1.8127   14.271   4.4599   9.2000   5.9447   20.800   6.7454   8.7158   2.6517   12.996   2.2813 -4.280156 3.497986 
1 1 1    2   28   34 o   34.731   2.3887  145.549   19.471  145.700   27.606  145.400   27.467   34.356   3.4494   34.326   3.4347 0.2960205E-01 4.867842 
1 1 1    2   28   35 o   37.308   2.4134  168.087   21.148  198.100   30.092  138.800   29.727   40.189   3.1974   33.310   3.8502 6.878925 5.004763 
1 1 1    2   28   36 o   20.975   1.8976   52.997   9.2968   54.300   12.923   51.600   13.384   21.037   2.6610   20.443   2.8501 0.5940704 3.899195 
1 1 1    2   28   37 o   23.988   2.0571   69.466   11.540   76.800   16.041   61.600   16.614   25.021   2.7609   22.207   3.2657 2.814096 4.276349 
1 1 1    2   28   38 o   10.514   1.8335   13.596   4.3864   14.300   6.0217   12.800   6.4025   10.674   2.4421   10.089   2.6524 0.5849800 3.605430 
1 1 1    2   28   39 o   28.534   2.0976   98.563   14.035  107.100   19.892   90.100   19.805   29.431   2.9000   26.846   3.1863 2.584610 4.308389 
1 1 1    2   28   40 o   15.914   1.8320   30.802   6.7588   27.800   9.8237   33.500   9.3135   14.790   2.9165   16.418   2.4796 -1.627953 3.828134 
1 1 1    2   28   41 o   4.9644   1.6408   2.8230   2.2364  -0.2000   3.1009   6.1000   3.2286   4.1076   1.7678   6.9979   1.9034 -2.890310 2.597697 
1 1 1    2   28   42 o   22.109   1.8864   59.475   9.7543   67.500   13.861   51.600   13.730   23.285   2.5632   20.143   2.9761 3.141937 3.927752 
1 1 1    2   28   43 o   34.961   2.4157  150.906   19.820  147.000   28.051  154.800   28.010   33.644   3.5861   34.628   3.4722 -0.9839706 4.991634 
1 1 1    2   28   44 o   33.867   2.3627  141.831   18.776  148.700   26.591  135.000   26.517   33.918   3.3644   32.150   3.5522 1.767818 4.892527 
1 1 1    2   28   45 f   26.850   2.0583   88.667   12.951  100.200   18.382   77.300   18.250   28.085   2.8094   24.349   3.2555 3.735779 4.300150 
1 1 1    2   28   46 f   5.6849   1.9002   3.7818   2.9969   7.9000   3.8810  -2.3000   4.7164   7.8603   2.0644   4.5201   2.0485 3.340166 2.908271 
1 1 1    2   28   47 o   13.673   1.7867   23.389   5.6310   19.700   7.5547   28.000   8.4466   12.112   2.7092   14.596   2.5431 -2.484068 3.715777 
1 1 1    2   28   48 o   6.2544   2.0316   4.8880   3.4343   1.7000   4.5074   9.3000   5.3025   5.3565   2.2069   8.3282   2.4979 -2.971727 3.333136 
1 1 1    2   28   49 o   24.110   3.3526   84.800   18.570   84.800   18.570   0.0000   0.0000   24.110   3.3526  ?   ?  0.000000 3.352581 
1 1 1    2   28   50 o   11.281   2.8205   18.300   7.4936   18.300   7.4936   0.0000   0.0000   11.281   2.8205  ?   ?  0.000000 2.820498 
1 1 1    2   28   51 o   9.6720   2.9225   13.800   7.2390   13.800   7.2390   0.0000   0.0000   9.6720   2.9225  ?   ?  0.000000 2.922547 
1 1 1    2   29    0 o  174.140   13.694  3726.90  555.105  3726.90  555.105  3726.90  555.105  174.140   13.694  174.140   13.694 0.000000 0.000000 
1 1 1    2   29    1 o   97.674   5.1963  1137.06  119.418  1224.50  169.411  1050.70  168.359  100.957   7.1526   93.347   7.7068 7.610527 10.51446 
1 1 1    2   29    2 o  118.651   6.5291  1684.81  182.228  1452.00  257.828  1917.20  257.592  109.074   10.126  125.954   8.7144 -16.87985 13.35933 
1 1 1    2   29    3 f  160.774   8.7150  3119.32  329.625  2477.40  466.148  3761.30  466.172  140.674   14.229  175.323   11.321 -34.64832 18.18266 
1 1 1    2   29    4 o   45.316   2.6363  243.712   28.088  279.200   40.032  209.300   39.421   48.423   3.5252   41.822   4.0421 6.600883 5.363333 
1 1 1    2   29    5 f   15.066   1.8033   27.205   6.2879   16.400   8.9364   37.800   8.8489   11.589   3.1727   17.752   2.1552 -6.162705 3.835494 
1 1 1    2   29    6 o   70.323   3.8676  588.068   63.978  624.000   90.903  552.800   90.060   72.214   5.3692   67.892   5.6695 4.322609 7.808433 
1 1 1    2   29    7 f  131.936   6.5050  2080.69  202.664  2412.40  288.019  1755.40  285.222  141.143   8.6839  119.736   10.185 21.40712 13.38410 
1 1 1    2   29    8 o  184.694   9.6983  4154.71  421.491  4517.90  597.896  3795.90  594.278  190.019   13.411  173.149   14.673 16.86955 19.87829 
1 1 1    2   29    9 o  153.564   8.3556  2855.48  301.849  2875.40  427.594  2835.70  426.169  152.117   12.001  151.027   12.050 1.089905 17.00714 
1 1 1    2   29   10 o  131.467   6.9817  2080.46  215.962  2227.80  306.187  1934.60  304.652  134.889   9.6771  125.312   10.389 9.576797 14.19797 
1 1 1    2   29   11 o  139.090   5.8573  2313.38  192.377  3076.50  274.182  1573.40  269.992  159.857   7.2635  112.844   10.244 47.01351 12.55778 
1 1 1    2   29   12 o   74.614   4.3016  664.382   75.469  578.200  106.873  750.100  106.586   69.067   6.6346   78.978   5.7548 -9.910988 8.782703 
1 1 1    2   29   13 o  183.551   10.250  4172.51  442.500  4034.10  626.384  4310.40  625.197  175.616   15.256  182.240   14.652 -6.623459 21.15278 
1 1 1    2   29   14 o   45.997   2.6742  251.497   28.920  185.700   40.655  318.900   41.148   39.224   4.4692   51.719   3.3880 -12.49503 5.608223 
1 1 1    2   29   15 o   50.394   3.0508  302.399   36.133  302.700   51.201  302.100   51.000   50.199   4.3627   50.152   4.3495 0.4751968E-01 6.160476 
1 1 1    2   29   16 o   96.194   5.2834  1113.34  119.553  1232.30  169.261  994.900  168.885  100.440   7.1840   89.808   8.0491 10.63133 10.78876 
1 1 1    2   29   17 o  113.690   6.2221  1567.31  166.407  1390.80  235.009  1744.80  235.664  105.208   9.5640  118.674   8.4651 -13.46546 12.77220 
1 1 1    2   29   18 o   41.204   2.6308  202.214   25.464  214.800   35.991  189.600   36.032   42.309   3.6378   39.682   3.8955 2.627159 5.329958 
1 1 1    2   29   19 o   97.421   5.3261  1147.90  122.060  943.500  172.449  1353.10  172.790   86.678   8.5362  104.901   7.0160 -18.22300 11.04945 
1 1 1    2   29   20 o  121.456   6.6397  1809.74  189.707  1936.20  269.103  1684.80  267.477  123.456   9.2992  114.506   9.9924 8.950294 13.65004 
1 1 1    2   29   21 o   68.109   3.8612  556.578   61.845  520.400   87.197  593.200   87.730   65.232   5.7185   69.816   5.3625 -4.583992 7.839472 
1 1 1    2   29   22 o   37.601   2.4216  168.535   21.387  189.600   30.329  147.700   30.162   39.744   3.2603   34.953   3.7112 4.790947 4.939892 
1 1 1    2   29   23 o   64.028   3.7047  492.280   55.774  554.300   78.985  430.600   78.768   67.507   4.9902   59.182   5.7070 8.324894 7.581090 
1 1 1    2   29   24 o   71.944   4.0381  623.755   68.324  688.700   96.846  559.400   96.405   74.969   5.5092   67.228   6.1406 7.741653 8.249772 
1 1 1    2   29   25 o   40.484   2.5471  195.730   24.225  227.500   34.324  164.200   34.195   43.482   3.3693   36.743   4.0061 6.739048 5.234578 
1 1 1    2   29   26 o   42.603   2.7267  217.216   27.287  243.200   38.541  191.100   38.639   44.853   3.6710   39.575   4.1989 5.278305 5.577335 
1 1 1    2   29   27 f   35.112   2.3883  147.420   19.684  144.800   27.947  150.000   27.729   34.556   3.4719   35.201   3.3773 -0.6448898 4.843600 
1 1 1    2   29   28 o   34.053   2.3367  138.794   18.676  133.600   26.398  144.000   26.426   33.149   3.4215   34.465   3.2869 -1.315441 4.744563 
1 1 1    2   29   29 o   45.925   2.8040  253.708   30.262  230.200   42.538  277.800   43.062   43.231   4.2207   47.681   3.8577 -4.449738 5.718055 
1 1 1    2   29   30 o   54.205   3.2760  356.445   41.735  357.400   59.186  355.500   58.860   53.514   4.7325   53.379   4.7182 0.1347618 6.682713 
1 1 1    2   29   31 o   14.461   1.7393   25.226   5.8202   29.300   8.3082   21.300   8.1560   15.481   2.3463   13.077   2.7294 2.403413 3.599291 
1 1 1    2   29   32 o   38.220   2.4989  176.152   22.429  160.000   31.576  192.600   31.865   35.937   3.7775   39.612   3.4408 -3.674725 5.109651 
1 1 1    2   29   33 o   37.688   2.5110  171.596   22.219  178.400   31.549  164.900   31.296   38.008   3.5566   36.472   3.6844 1.536026 5.120960 
1 1 1    2   29   34 o   4.5200   1.7000   1.7897   2.4645   4.7000   3.8674  -0.2000   3.1978   6.4495   2.1586   4.1915   1.7994 2.258073 2.810177 
1 1 1    2   29   35 o   24.931   2.0510   74.902   11.967   74.600   16.975   75.200   16.874   24.608   2.9821   24.719   2.9490 -0.1111050 4.193968 
1 1 1    2   29   36 o   14.256   1.7183   24.587   5.6680   19.400   7.5969   31.100   8.5125   12.436   2.6670   15.917   2.3341 -3.481560 3.544137 
1 1 1    2   29   37 o   32.354   2.2808  126.674   17.314  132.500   24.436  120.800   24.535   32.717   3.2042   31.140   3.3915 1.576525 4.665732 
1 1 1    2   29   38 o   29.066   2.1423  102.300   14.600  102.600   20.651  102.000   20.643   28.728   3.0930   28.639   3.1020 0.8917427E-01 4.380522 
1 1 1    2   29   39 o   34.212   2.3369  142.617   18.766  149.800   26.794  135.700   26.292   34.532   3.3271   32.781   3.4483 1.750618 4.791660 
1 1 1    2   29   40 o   7.5575   1.8911   7.1444   3.3667   8.1000   4.7752   6.2000   4.7473   8.0733   2.3576   7.2628   2.3900 0.8105688 3.357183 
1 1 1    2   29   41 o   33.794   2.3506  140.193   18.641  143.100   26.396  137.300   26.330   33.476   3.3856   32.733   3.4588 0.7435646 4.840054 
1 1 1    2   29   42 o   22.581   1.9579   62.220   10.337   71.100   14.561   53.200   14.675   23.853   2.6288   20.349   3.1564 3.504753 4.107768 
1 1 1    2   29   43 o   45.498   2.9212  260.610   31.219  280.800   44.194  240.500   44.106   45.862   4.1249   41.947   4.5245 3.914978 6.122574 
1 1 1    2   29   44 o   14.195   1.7846   24.757   5.8495   31.900   8.2124   17.400   8.3340   15.979   2.2379   11.507   3.0266 4.471460 3.764091 
1 1 1    2   29   45 o   21.477   1.9426   56.888   9.7456   56.600   13.516   57.200   14.065   20.959   2.8010   21.002   2.9147 -0.4213333E-01 4.042412 
1 1 1    2   29   46 o   19.657   1.9404   48.195   8.8892   56.300   12.462   39.800   12.683   20.849   2.5869   17.045   3.2700 3.804197 4.169583 
1 1 1    2   29   47 o   4.0306   1.6606   0.7599   2.5521   0.3000   3.3455   1.4000   3.9470   4.3493   1.8530   5.0241   2.0670 -0.6748390 2.775997 
1 1 1    2   29   48 o   15.250   1.9736   29.859   6.9403   24.900   9.6818   35.100   9.9539   13.114   3.1631   16.008   2.7312 -2.894320 4.179100 
1 1 1    2   29   49 o   11.924   2.6137   19.800   7.1562   19.800   7.1562   0.0000   0.0000   11.924   2.6137  ?   ?  0.000000 2.613667 
1 1 1    2   29   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   30    0 o   10.033   3.0099   14.700   6.2135   14.700   6.2135   14.700   6.2135   10.033   3.0099   10.033   3.0099 -0.000000 0.000000 
1 1 1    2   30    1 o   69.179   3.9853  569.688   64.827  489.800   91.759  649.300   91.601   63.745   6.1732   73.652   5.3024 -9.906281 8.137797 
1 1 1    2   30    2 o   92.721   5.1754  1026.66  112.863  988.600  159.959  1064.40  159.267   90.400   7.5629   93.916   7.2374 -3.516144 10.46791 
1 1 1    2   30    3 o  117.737   6.2548  1661.50  173.271  1768.30  245.859  1556.10  244.233  120.651   8.6878  112.934   9.2393 7.716995 12.68236 
1 1 1    2   30    4 o   93.067   3.8952  1027.69   85.602  1381.90  122.812  693.000  119.381  107.779   4.8255   75.768   6.7429 32.01067 8.291718 
1 1 1    2   30    5 o   69.872   4.0463  581.476   66.475  523.500   94.195  639.000   93.827   65.904   6.1228   73.002   5.4829 -7.098610 8.218939 
1 1 1    2   30    6 o   73.717   3.9144  646.794   67.896  729.400   96.738  566.600   95.315   78.050   5.2799   68.609   5.9419 9.440987 7.948794 
1 1 1    2   30    7 o   29.774   2.2159  105.431   15.468   92.400   22.030  118.100   21.722   27.705   3.4415   31.439   2.9609 -3.733660 4.539903 
1 1 1    2   30    8 o  128.534   6.7791  1990.18  205.029  1496.10  289.701  2486.00  290.209  109.382   11.383  142.833   8.6451 -33.45181 14.29360 
1 1 1    2   30    9 o   65.463   3.7889  510.599   58.319  454.800   82.549  566.200   82.403   61.392   5.7617   68.700   5.1161 -7.308689 7.705336 
1 1 1    2   30   10 o   99.628   4.7548  1183.37  111.860  1465.00  158.990  907.300  157.411  110.337   6.1263   86.204   7.8180 24.13362 9.932398 
1 1 1    2   30   11 o  127.988   6.9617  1983.11  209.608  2047.30  296.872  1919.30  295.991  128.479   9.8605  124.180   10.184 4.299133 14.17523 
1 1 1    2   30   12 o  135.648   7.4400  2238.68  237.404  1833.40  335.709  2644.10  335.771  119.891   12.020  145.904   9.8026 -26.01354 15.51039 
1 1 1    2   30   13 o  115.598   6.0964  1613.49  165.825  1766.60  235.295  1462.40  233.738  119.824   8.3684  108.506   9.2095 11.31782 12.44368 
1 1 1    2   30   14 o   44.919   2.5624  239.913   27.067  287.300   38.606  194.100   37.960   49.056   3.3528   40.154   4.0591 8.901623 5.264767 
1 1 1    2   30   15 o   48.520   2.8366  280.282   32.358  240.300   45.554  321.000   45.972   44.642   4.3777   51.777   3.7863 -7.134502 5.787930 
1 1 1    2   30   16 o   44.065   2.7334  231.287   28.302  238.900   40.194  223.800   39.858   44.597   3.8546   43.134   3.9574 1.463367 5.524402 
1 1 1    2   30   17 o   16.997   1.8927   34.621   7.4675   27.100   10.611   42.000   10.511   14.821   3.1301   18.663   2.4439 -3.841421 3.971129 
1 1 1    2   30   18 o   59.534   3.5206  424.057   49.273  391.800   69.799  456.100   69.567   56.750   5.2688   61.399   4.8374 -4.649845 7.152646 
1 1 1    2   30   19 o  103.662   5.7415  1307.80  139.994  1415.60  198.164  1200.40  197.800  106.441   7.9413   97.452   8.6867 8.989609 11.76953 
1 1 1    2   30   20 o   61.676   3.6228  455.939   52.531  482.600   74.166  429.100   74.414   63.034   5.0245   59.295   5.3730 3.738564 7.356273 
1 1 1    2   30   21 o   30.061   2.1379  107.700   15.077  118.200   21.426   97.400   21.220   31.378   2.9254   28.403   3.2207 2.974854 4.350945 
1 1 1    2   30   22 o   83.266   4.6842  839.604   91.727  879.400  130.044  800.200  129.400   84.209   6.5925   80.120   6.9071 4.088783 9.548292 
1 1 1    2   30   23 o   59.480   3.5021  424.737   48.971  413.500   69.372  435.900   69.140   58.151   5.1036   59.778   4.9424 -1.627254 7.104551 
1 1 1    2   30   24 o   18.831   1.8227   42.424   8.0037   44.500   11.392   40.400   11.248   19.169   2.5824   18.227   2.6945 0.9414120 3.732165 
1 1 1    2   30   25 o   80.977   4.5689  797.774   87.008  890.700  123.231  705.400  122.864   84.538   6.2168   74.620   7.0565 9.917213 9.404424 
1 1 1    2   30   26 o   24.176   1.9852   69.870   11.233   47.000   15.858   92.900   15.914   19.476   3.5802   27.822   2.4471 -8.346666 4.336651 
1 1 1    2   30   27 o   84.000   4.8260  868.718   95.324  903.800  134.871  833.700  134.746   83.966   6.8622   80.332   7.1790 3.634224 9.931159 
1 1 1    2   30   28 o   38.255   2.5133  175.646   22.577  182.700   31.937  168.600   31.920   38.718   3.5320   37.129   3.6896 1.589275 5.107708 
1 1 1    2   30   29 o   49.654   3.0854  298.452   35.998  275.200   51.021  321.500   50.797   46.938   4.6651   50.989   4.2578 -4.051262 6.316002 
1 1 1    2   30   30 o   43.603   2.7783  229.637   28.457  217.400   40.061  242.100   40.430   41.870   4.1048   44.301   3.9048 -2.431011 5.665355 
1 1 1    2   30   31 o   27.989   2.1101   94.135   13.843   95.900   19.660   92.400   19.496   28.001   3.0212   27.468   3.0577 0.5326614 4.298507 
1 1 1    2   30   32 o   28.013   2.1488   94.455   14.106   90.800   19.962   98.100   19.935   27.160   3.1722   28.292   3.0312 -1.131908 4.387560 
1 1 1    2   30   33 o   49.651   3.0924  300.803   36.076  302.300   50.975  299.300   51.065   48.937   4.4601   48.668   4.4942 0.2689362 6.331697 
1 1 1    2   30   34 f   43.104   2.7414  225.654   27.758  210.600   39.196  240.800   39.316   40.935   4.1104   43.967   3.8250 -3.032249 5.614828 
1 1 1    2   30   35 o   29.170   2.1703  102.652   14.842   90.700   20.948  114.700   21.032   27.007   3.3573   30.578   2.9494 -3.570992 4.468878 
1 1 1    2   30   36 o   13.808   1.9157   23.238   6.0777   22.400   8.5368   24.100   8.6549   13.343   2.7988   13.865   2.7406 -0.5224857 3.917216 
1 1 1    2   30   37 o   33.653   2.4056  137.724   18.991  153.700   26.713  121.400   27.003   35.150   3.2554   30.936   3.7748 4.213573 4.984646 
1 1 1    2   30   38 o   11.793   1.9347   17.134   5.2007   19.900   6.9021   13.500   7.9104   12.609   2.4059   10.350   3.0378 2.259045 3.875115 
1 1 1    2   30   39 o   36.207   2.4525  160.496   20.844  159.100   29.438  161.900   29.519   35.358   3.5750   35.688   3.5499 -0.3297844 5.038115 
1 1 1    2   30   40 o   1.5932   0.7725  -1.5286   0.9032   1.7000   1.6143  -3.0000   1.0897   3.9928   1.3929   1.4895   0.7447 2.503370 1.579518 
1 1 1    2   30   41 o   12.571   1.7154   19.356   4.9592   21.100   7.1065   17.700   6.9239   12.929   2.4166   11.777   2.5626 1.151822 3.522339 
1 1 1    2   30   42 o   17.982   1.7959   39.404   7.5238   34.200   10.594   44.700   10.687   16.360   2.8456   18.924   2.4490 -2.564104 3.754327 
1 1 1    2   30   43 o   8.4051   1.8269   8.8741   3.5225   11.800   4.8832   5.7000   5.0861   9.6353   2.1952   7.0949   2.4727 2.540392 3.306528 
1 1 1    2   30   44 o   15.824   1.7815   30.780   6.5410   28.300   9.3071   33.200   9.1948   14.769   2.7705   16.155   2.4903 -1.386646 3.725242 
1 1 1    2   30   45 o   2.7786   1.2708  -1.2240   1.8679  -2.7000   2.0842   4.8000   4.2106   2.5793   1.2303   6.4544   2.2498 -3.875147 2.564216 
1 1 1    2   30   46 f   11.509   1.7270   16.634   4.5485   9.7000   6.0572   25.600   6.8877   8.5677   2.6890   14.134   2.1299 -5.566130 3.430272 
1 1 1    2   30   47 f   3.2324   1.4757  -1.4642   2.5053 -10.9000   3.4708   8.8000   3.6199   2.4914   1.2567   8.2169   1.9031 -5.725588 2.280560 
1 1 1    2   30   48 o   24.919   2.1641   80.797   12.608   87.400   17.702   74.000   17.960   24.799   3.0899   22.257   3.5356 2.542429 4.695512 
1 1 1    2   30   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   31    0 o  161.112   12.809  3216.80  480.225  3216.80  480.225  3216.80  480.225  161.112   12.809  161.112   12.809 -0.000000 0.000000 
1 1 1    2   31    1 o   77.984   4.3631  725.550   80.024  726.100  113.148  725.000  113.194   77.601   6.2272   77.540   6.2348 0.6095123E-01 8.811952 
1 1 1    2   31    2 o  132.181   6.7095  2104.38  208.735  2432.10  296.346  1781.70  294.059  141.071   8.9423  119.882   10.493 21.18889 13.78677 
1 1 1    2   31    3 o   52.715   3.1824  330.614   39.429  280.600   55.825  380.400   55.697   48.265   4.9692   56.408   4.2119 -8.142990 6.514012 
1 1 1    2   31    4 f   52.333   2.9805  325.572   36.680  363.600   52.171  288.400   51.580   55.167   4.0328   49.019   4.5066 6.147984 6.047554 
1 1 1    2   31    5 o   26.407   2.0398   82.964   12.621   71.700   17.859   94.200   17.837   24.389   3.1764   28.071   2.7253 -3.682858 4.185320 
1 1 1    2   31    6 o  105.672   5.8566  1342.12  145.569  1176.10  205.940  1507.90  205.792   97.707   9.0280  111.251   7.8847 -13.54364 11.98637 
1 1 1    2   31    7 o   79.281   4.4439  751.091   82.859  756.500  117.277  745.700  117.082   79.085   6.3331   78.504   6.3709 0.5811310 8.983163 
1 1 1    2   31    8 o  109.495   6.0870  1444.82  156.761  1262.90  221.795  1626.40  221.592  100.923   9.4155  115.267   8.1946 -14.34450 12.48210 
1 1 1    2   31    9 o   37.482   2.4423  167.074   21.498  170.800   30.510  163.400   30.297   37.765   3.4597   36.922   3.5175 0.8430939 4.933792 
1 1 1    2   31   10 o   56.074   3.1053  374.270   40.957  426.200   58.194  323.300   57.654   59.666   4.1563   51.804   4.7665 7.862110 6.324160 
1 1 1    2   31   11 o  172.691   8.8055  3684.46  357.882  4286.50  507.990  3091.20  504.275  183.122   11.811  152.932   14.123 30.19020 18.41097 
1 1 1    2   31   12 o   8.8146   1.9053   9.5491   3.8502   7.1000   5.7032   11.600   5.2191   7.9353   2.6200   9.7029   2.3109 -1.767628 3.493557 
1 1 1    2   31   13 o  107.474   4.8834  1384.50  123.933  1742.80  176.780  1038.20  173.794  119.851   6.2682   91.551   8.1235 28.29944 10.26064 
1 1 1    2   31   14 o   40.076   2.5540  191.240   24.044  196.400   34.036  186.100   33.970   40.450   3.6010   39.348   3.6995 1.101646 5.162661 
1 1 1    2   31   15 o   59.898   3.3834  428.529   47.659  464.200   67.757  393.600   67.048   62.037   4.6594   56.994   5.0337 5.043388 6.859111 
1 1 1    2   31   16 f   34.363   2.1613  140.484   17.448  175.400   24.938  107.000   24.421   38.328   2.7742   29.752   3.5459 8.576107 4.502187 
1 1 1    2   31   17 o   48.913   2.9575  285.549   33.999  301.300   48.238  270.000   47.927   50.002   4.1223   47.261   4.3431 2.740234 5.987949 
1 1 1    2   31   18 o  117.405   6.5641  1693.68  181.251  1648.10  256.261  1739.30  256.394  113.269   9.6738  116.648   9.3877 -3.379456 13.48004 
1 1 1    2   31   19 o  ?   ?   -7.6029   0.8116   3.7000   3.6232  -8.2000   0.8328   5.9526   2.0863  ?   ?  0.000000 2.086281 
1 1 1    2   31   20 o   59.846   3.5044  429.430   49.308  444.200   69.778  414.700   69.685   60.425   4.9334   58.307   5.1128 2.117325 7.104887 
1 1 1    2   31   21 o  127.675   7.1360  2033.12  214.282  2162.40  303.611  1904.80  302.472  128.337   10.100  119.525   10.835 8.811638 14.81216 
1 1 1    2   31   22 o   33.501   2.3524  133.987   18.492  153.900   26.062  113.800   26.241   35.776   3.1161   30.595   3.7079 5.180767 4.843449 
1 1 1    2   31   23 o   55.786   3.1901  373.238   41.849  454.000   59.392  293.600   58.977   61.234   4.1316   48.808   5.1971 12.42624 6.639299 
1 1 1    2   31   24 o   71.908   4.0667  625.954   68.769  689.000   97.523  563.600   96.987   74.663   5.5716   67.139   6.1871 7.523552 8.326076 
1 1 1    2   31   25 o   38.443   2.5290  176.958   22.829  179.900   32.520  174.100   32.056   38.485   3.6211   37.851   3.6310 0.6334839 5.128003 
1 1 1    2   31   26 o   31.484   2.2284  118.632   16.460  101.600   23.199  135.900   23.359   28.835   3.4772   33.540   2.9804 -4.704813 4.579674 
1 1 1    2   31   27 o   31.399   3.2343  120.000   23.637   0.0000   0.0000  120.000   23.637  ?   ?    31.399   3.2343 0.000000 3.234267 
1 1 1    2   31   28 o   9.0746   2.1540   10.216   4.5465   5.1000   6.5765   14.900   6.2925   7.4525   2.7821   10.944   2.4909 -3.491239 3.734262 
1 1 1    2   31   29 o   40.290   2.6031  195.661   24.633  208.000   34.964  183.500   34.710   41.156   3.6350   38.541   3.8660 2.615154 5.306525 
1 1 1    2   31   30 o   7.9158   1.9019   7.7691   3.5108   12.100   5.4009   4.6000   4.6200   9.8545   2.3534   6.6396   2.3532 3.214870 3.328076 
1 1 1    2   31   31 o   51.631   3.1728  325.243   38.496  337.500   54.458  313.000   54.425   51.773   4.4992   49.713   4.6917 2.059994 6.500362 
1 1 1    2   31   32 o   7.6928   2.0840   7.3152   3.8796   0.8000   5.9268   12.200   5.1319   5.9672   2.5005   9.8964   2.2473 -3.929250 3.361944 
1 1 1    2   31   33 o   9.7271   2.0961   11.755   4.6726   16.800   6.7833   7.2000   6.4457   11.589   2.5481   8.0672   2.7852 3.521988 3.774929 
1 1 1    2   31   34 o   26.326   2.0351   83.471   12.553   99.700   17.911   67.800   17.600   28.590   2.6845   23.331   3.2855 5.258652 4.242778 
1 1 1    2   31   35 o   26.210   2.0737   82.900   12.730   99.800   18.003   66.000   18.003   28.571   2.7004   22.927   3.4307 5.643894 4.366038 
1 1 1    2   31   36 o   27.708   2.1573   92.969   14.004   94.900   19.710   91.000   19.900   27.651   3.0704   27.025   3.1793 0.6267757 4.419835 
1 1 1    2   31   37 o   19.302   1.8886   45.145   8.4976   49.400   11.824   40.600   12.220   19.994   2.5634   17.953   2.9876 2.041170 3.936593 
1 1 1    2   31   38 o   47.759   3.2086  285.066   35.975  321.000   50.520  248.100   51.240   49.566   4.3608   42.714   5.1866 6.852165 6.776222 
1 1 1    2   31   39 o   37.633   2.5226  174.334   22.287  178.000   31.589  170.700   31.449   37.229   3.6399   36.395   3.7113 0.8339348 5.198285 
1 1 1    2   31   40 o   35.522   2.4144  155.318   20.132  171.900   28.499  138.800   28.443   36.729   3.3218   32.650   3.7578 4.079758 5.015495 
1 1 1    2   31   41 o   28.875   2.1661  102.127   14.662  109.700   20.698   94.500   20.772   29.448   3.0192   27.133   3.3106 2.314819 4.480611 
1 1 1    2   31   42 o   15.724   1.7823   30.251   6.5008   30.800   9.1859   29.700   9.2012   15.583   2.5872   15.272   2.6474 0.3107576 3.701678 
1 1 1    2   31   43 o   17.186   1.7345   36.127   6.9426   43.000   9.9474   29.600   9.6941   18.524   2.3253   15.114   2.8200 3.410780 3.655088 
1 1 1    2   31   44 o   16.924   1.8098   35.377   7.1204   33.700   9.7414   37.300   10.434   16.124   2.6506   16.955   2.6964 -0.8304768 3.781023 
1 1 1    2   31   45 o   14.207   1.7530   25.180   5.7564   17.600   7.9576   33.500   8.3371   11.329   2.9467   16.162   2.2452 -4.832500 3.704599 
1 1 1    2   31   46 o   15.686   1.8330   31.069   6.6613   27.000   8.7762   36.600   10.232   14.070   2.7400   16.441   2.7313 -2.370784 3.868779 
1 1 1    2   31   47 o   7.9928   2.5579   8.6000   5.4589   0.0000   0.0000   8.6000   5.4589  ?   ?    7.9928   2.5579 0.000000 2.557905 
1 1 1    2   31   48 o   8.4864   2.8040  10.0000   6.5319   0.0000   0.0000  10.0000   6.5319  ?   ?    8.4864   2.8040 0.000000 2.804029 
1 1 1    2   31   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   32    0 o   45.160   4.0578  247.500   42.469  247.500   42.469  247.500   42.469   45.160   4.0578   45.160   4.0578 -0.000000 0.000000 
1 1 1    2   32    1 o   24.284   1.9381   70.198   11.021   69.400   15.564   71.000   15.608   24.039   2.7941   24.322   2.7669 -0.2830925 3.932282 
1 1 1    2   32    2 o   85.233   4.7153  869.617   94.535  818.700  133.584  920.700  133.801   82.030   6.9621   87.166   6.5484 -5.135834 9.557884 
1 1 1    2   32    3 o   32.088   2.2273  122.453   16.772  128.600   24.016  116.600   23.434   32.775   3.1416   31.180   3.2296 1.594210 4.505515 
1 1 1    2   32    4 o   56.118   3.3309  375.217   43.942  363.900   62.329  386.400   61.959   54.983   4.8503   56.709   4.6684 -1.725399 6.731963 
1 1 1    2   32    5 o   27.875   2.1410   92.501   13.985   84.300   19.966  100.400   19.595   26.450   3.2660   28.954   2.9052 -2.503706 4.371161 
1 1 1    2   32    6 o  100.521   5.4505  1215.54  128.894  974.600  182.148  1457.20  182.420   88.630   8.8205  109.404   7.0996 -20.77436 11.32272 
1 1 1    2   32    7 o  100.183   5.5791  1209.24  131.462  987.900  185.955  1430.40  185.875   89.100   8.9597  108.229   7.3160 -19.12952 11.56721 
1 1 1    2   32    8 o  105.384   5.7558  1340.21  142.691  1396.60  202.139  1284.20  201.455  106.476   8.1004  101.894   8.4490 4.582664 11.70477 
1 1 1    2   32    9 o  132.066   7.2926  2131.05  226.543  2143.20  321.024  2119.00  319.741  130.104   10.540  129.347   10.561 0.7570496 14.92021 
1 1 1    2   32   10 o   67.050   3.8622  537.555   60.892  487.700   86.162  587.300   86.066   63.341   5.8259   69.729   5.2659 -6.387917 7.853062 
1 1 1    2   32   11 o   57.418   3.3196  393.411   44.817  408.000   63.800  379.200   62.969   58.177   4.6838   56.042   4.8047 2.134872 6.709946 
1 1 1    2   32   12 o   20.653   1.8682   50.898   9.0125   38.000   12.770   63.700   12.722   17.610   3.1882   23.061   2.3699 -5.451033 3.972517 
1 1 1    2   32   13 o   37.287   2.4469  165.599   21.425  170.600   30.303  160.600   30.296   37.690   3.4429   36.538   3.5565 1.151840 4.949962 
1 1 1    2   32   14 o  115.141   6.3603  1619.93  172.258  1664.00  244.076  1576.20  243.146  114.729   9.0835  111.450   9.3247 3.279579 13.01767 
1 1 1    2   32   15 o   88.469   4.7533  943.990   98.935  1036.90  140.419  852.400  139.417   91.901   6.5128   82.934   7.1902 8.967392 9.701292 
1 1 1    2   32   16 o   8.3059   1.8926   8.4971   3.6293  -0.6000   5.1460   17.500   5.1193   5.2630   2.2712   12.016   1.8647 -6.752873 2.938561 
1 1 1    2   32   17 o   66.407   3.8628  529.545   60.310  512.700   85.536  546.200   85.050   64.724   5.6533   66.908   5.4299 -2.184608 7.838589 
1 1 1    2   32   18 o   71.026   4.0814  607.146   68.165  580.600   96.392  633.700   96.407   68.699   6.0022   71.920   5.7241 -3.221085 8.294056 
1 1 1    2   32   19 o   75.321   4.2139  684.053   74.648  605.500  105.173  763.800  105.969   69.877   6.4466   78.926   5.7248 -9.048645 8.621619 
1 1 1    2   32   20 o   14.737   1.8541   26.141   6.3096   37.800   9.0262   15.000   8.8235   17.711   2.2060   11.088   3.1953 6.623234 3.882799 
1 1 1    2   32   21 o   42.546   2.6921  216.399   26.907  214.500   38.045  218.300   38.060   42.081   3.8720   42.465   3.8371 -0.3835258 5.451226 
1 1 1    2   32   22 o   26.647   2.0653   84.789   12.894   93.400   18.527   76.700   17.956   27.839   2.8589   25.153   3.0880 2.685793 4.208237 
1 1 1    2   32   23 o   56.150   4.8308  387.200   63.429  387.200   63.429   0.0000   0.0000   56.150   4.8308  ?   ?  0.000000 4.830849 
1 1 1    2   32   24 o   65.782   3.8256  524.646   59.169  537.900   84.009  511.600   83.350   65.735   5.4615   64.034   5.5677 1.701111 7.799172 
1 1 1    2   32   25 o   29.258   2.1411  102.449   14.690  114.400   20.909   90.800   20.643   30.758   2.9136   27.282   3.2694 3.475502 4.379252 
1 1 1    2   32   26 o   29.728   2.1730  105.910   15.148  127.700   21.417   84.100   21.428   32.504   2.8183   26.125   3.5667 6.379683 4.545753 
1 1 1    2   32   27 o   29.643   3.1818  107.300   21.924   0.0000   0.0000  107.300   21.924  ?   ?    29.643   3.1818 0.000000 3.181836 
1 1 1    2   32   28 o   12.918   1.9038   20.298   5.6335   16.900   8.2999   23.200   7.6711   11.617   3.0035   13.715   2.4590 -2.097594 3.881712 
1 1 1    2   32   29 o   44.208   2.7898  236.541   28.974  249.000   40.990  224.100   40.960   44.844   3.9100   42.407   4.1433 2.437256 5.696908 
1 1 1    2   32   30 o   13.470   1.8770   22.047   5.8082   40.900   8.2256   3.3000   8.2026   18.416   1.9197   7.4966   3.0182 10.91980 3.576931 
1 1 1    2   32   31 o   17.313   1.9445   36.231   7.8121   39.400   11.081   33.100   11.016   17.881   2.7092   16.290   2.9733 1.591156 4.022467 
1 1 1    2   32   32 o   29.242   2.2115  103.097   15.158   95.800   21.583  110.200   21.294   27.810   3.3543   29.966   3.0519 -2.156464 4.534892 
1 1 1    2   32   33 o   25.817   2.0483   80.291   12.384   89.900   17.712   71.100   17.323   27.100   2.8085   23.960   3.1370 3.139971 4.210530 
1 1 1    2   32   34 o   62.084   3.7422  480.068   54.605  473.100   76.778  487.200   77.676   59.884   5.4907   60.800   5.4689 -0.9153214 7.749600 
1 1 1    2   32   35 o   23.381   1.9783   66.050   10.820   49.500   15.302   82.600   15.302   19.759   3.4023   25.991   2.5251 -6.231781 4.236950 
1 1 1    2   32   36 o   40.470   2.6915  200.778   25.575  193.200   36.235  208.300   36.101   38.844   4.0081   40.485   3.8214 -1.641262 5.537863 
1 1 1    2   32   37 o   46.887   2.9862  272.537   32.890  270.100   46.391  275.000   46.637   45.472   4.3745   45.904   4.3546 -0.4325256 6.172366 
1 1 1    2   32   38 o   23.593   2.0301   67.782   11.200   66.700   15.710   68.900   15.972   23.021   2.9584   23.403   2.9560 -0.3828945 4.182087 
1 1 1    2   32   39 o   8.1540   2.0008   8.3637   3.8235   8.8000   4.9225   7.7000   6.0707   8.3685   2.3787   8.0725   2.7044 0.2960100 3.601653 
1 1 1    2   32   40 o   21.642   1.8505   56.953   9.3661   65.300   13.366   48.900   13.129   22.918   2.5109   19.619   2.9232 3.298733 3.853492 
1 1 1    2   32   41 o   29.111   2.1368  103.934   14.586   93.200   20.565  114.800   20.691   26.875   3.3105   30.112   2.9477 -3.237637 4.432689 
1 1 1    2   32   42 o   26.123   2.0982   84.031   12.833   87.700   18.074   80.300   18.225   26.163   2.9786   24.896   3.1722 1.266771 4.351429 
1 1 1    2   32   43 o   4.4155   1.6376   1.8709   2.2711   8.8000   3.3534  -4.0000   3.0868   8.3548   1.7556   3.1295   1.4940 5.225311 2.305203 
1 1 1    2   32   44 o   18.850   1.8600   44.253   8.1711   40.500   11.096   48.700   12.078   17.489   2.7798   19.236   2.7361 -1.746437 3.900455 
1 1 1    2   32   45 o   11.202   2.0354   16.215   5.1857   19.200   6.9637   12.500   7.7697   11.951   2.5455   9.5156   3.0523 2.435814 3.974430 
1 1 1    2   32   46 o   5.2116   2.0871   2.1000   3.8998   0.0000   0.0000   2.1000   3.8998  ?   ?    5.2116   2.0871 0.000000 2.087098 
1 1 1    2   32   47 o   11.676   2.8737   19.500   7.8695   0.0000   0.0000   19.500   7.8695  ?   ?    11.676   2.8737 0.000000 2.873672 
1 1 1    2   32   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   33    0 o   22.643   2.8569   63.500   14.614   63.500   14.614   63.500   14.614   22.643   2.8569   22.643   2.8569 -0.000000 0.000000 
1 1 1    2   33    1 o   76.980   4.3392  709.550   78.555  708.300  111.110  710.800  111.076   76.358   6.2162   76.498   6.2024 -0.1401138 8.781297 
1 1 1    2   33    2 o   62.016   3.5837  459.028   52.257  490.500   73.928  427.600   73.877   63.812   4.9448   59.460   5.3177 4.351704 7.261465 
1 1 1    2   33    3 o   95.576   5.3100  1099.92  119.368  1121.30  168.732  1078.50  168.892   95.574   7.5376   93.642   7.7064 1.932495 10.77981 
1 1 1    2   33    4 o   88.446   4.8272  939.401  100.437  1006.70  142.411  872.800  141.670   90.884   6.6827   84.387   7.1777 6.496735 9.807031 
1 1 1    2   33    5 o   73.133   4.2008  640.484   72.241  569.100  102.261  711.600  102.068   68.275   6.4182   76.667   5.6783 -8.391830 8.569482 
1 1 1    2   33    6 o   56.480   3.2972  380.549   43.784  396.000   62.124  365.300   61.718   57.340   4.6276   55.016   4.7988 2.323639 6.666538 
1 1 1    2   33    7 o  117.377   6.5835  1678.43  181.738  1583.80  257.334  1772.60  256.699  111.917   9.8372  118.912   9.2138 -6.995209 13.47828 
1 1 1    2   33    8 o   97.968   5.3000  1158.48  122.153  1259.80  173.197  1058.20  172.307  101.206   7.2962   92.350   7.9798 8.856056 10.81255 
1 1 1    2   33    9 o  131.502   7.0622  2121.47  218.496  2279.20  310.019  1965.80  307.990  133.967   9.8696  123.666   10.651 10.30099 14.52061 
1 1 1    2   33   10 o   85.435   3.9951  872.217   80.598  1099.00  115.449  656.600  112.571   95.396   5.1440   73.112   6.5913 22.28432 8.360964 
1 1 1    2   33   11 o   42.526   2.7308  215.633   27.278  187.800   38.669  243.200   38.484   39.393   4.2228   45.008   3.6525 -5.614693 5.583277 
1 1 1    2   33   12 o   89.149   5.1295  961.295  107.527  831.800  152.270  1090.10  151.864   81.510   8.0148   94.076   6.8840 -12.56530 10.56533 
1 1 1    2   33   13 o   99.596   5.5879  1205.42  130.886  1185.10  185.412  1225.60  184.792   97.218   8.1518   99.000   7.9723 -1.781319 11.40217 
1 1 1    2   33   14 o   50.710   2.9196  306.891   34.812  339.700   49.585  275.000   48.887   53.125   3.9816   47.665   4.3929 5.460312 5.928781 
1 1 1    2   33   15 o   61.494   3.6873  453.641   53.297  410.500   75.631  496.200   75.119   57.885   5.6032   63.906   5.0182 -6.021214 7.521882 
1 1 1    2   33   16 o   35.369   2.3833  149.176   19.789  118.800   27.999  179.500   27.974   31.266   3.8754   38.693   3.0874 -7.427147 4.954864 
1 1 1    2   33   17 o   69.932   4.0758  589.011   67.013  548.200   94.958  629.500   94.584   66.647   6.1015   71.674   5.6339 -5.027145 8.304756 
1 1 1    2   33   18 o   52.120   3.0208  324.916   37.019  353.000   52.719  297.600   51.994   54.028   4.1644   49.482   4.4990 4.546738 6.130508 
1 1 1    2   33   19 o   68.583   3.9792  567.327   64.166  537.800   90.863  596.700   90.625   65.944   5.8974   69.657   5.5558 -3.713928 8.102242 
1 1 1    2   33   20 o   15.290   1.8113   28.098   6.4125   26.700   8.9099   29.600   9.2363   14.754   2.6551   15.563   2.6054 -0.8090792 3.719887 
1 1 1    2   33   21 o   48.389   2.9618  280.756   33.680  276.000   47.659  285.500   47.603   47.580   4.2879   48.427   4.2045 -0.8468513 6.005324 
1 1 1    2   33   22 o   36.934   2.5220  163.362   21.864  176.400   30.676  149.900   31.171   38.162   3.4411   35.046   3.8290 3.115639 5.148041 
1 1 1    2   33   23 f   44.297   4.0339  239.900   41.732  239.900   41.732   0.0000   0.0000   44.297   4.0339  ?   ?  0.000000 4.033882 
1 1 1    2   33   24 o   25.060   1.9843   75.160   11.646   80.300   16.705   70.300   16.244   25.744   2.7928   24.038   2.9219 1.705622 4.041887 
1 1 1    2   33   25 o   8.7521   2.2389   9.4897   4.6459  -2.7000   6.7934   20.200   6.3678   5.6307   2.5125   12.842   2.1777 -7.210910 3.324910 
1 1 1    2   33   26 o   34.321   2.4007  141.609   19.334  127.100   27.446  155.900   27.239   32.114   3.6860   35.759   3.2618 -3.644184 4.921989 
1 1 1    2   33   27 o   33.885   3.4232  140.900   27.015   0.0000   0.0000  140.900   27.015  ?   ?    33.885   3.4232 0.000000 3.423152 
1 1 1    2   33   28 o   20.833   1.8788   52.151   9.1432   51.900   12.956   52.400   12.905   20.586   2.7328   20.694   2.7056 -0.1078377 3.845539 
1 1 1    2   33   29 o   19.354   1.8329   45.045   8.2771   40.000   11.434   50.600   11.997   18.009   2.7780   20.360   2.5515 -2.350691 3.771913 
1 1 1    2   33   30 o   31.655   2.2714  120.741   16.866  127.100   23.869  114.400   23.835   32.178   3.1831   30.441   3.3724 1.736324 4.637395 
1 1 1    2   33   31 o   10.501   2.2184   13.707   5.3287   19.700   7.4132   7.3000   7.6648   12.565   2.5847   8.3957   3.0251 4.169764 3.978915 
1 1 1    2   33   32 o   21.920   1.9696   57.909   10.086   55.900   14.296   59.900   14.231   21.276   2.9226   22.077   2.7923 -0.8006630 4.042127 
1 1 1    2   33   33 o   25.218   2.0374   76.705   12.029   69.400   17.018   84.000   17.005   23.641   3.1251   26.163   2.7958 -2.522560 4.193207 
1 1 1    2   33   34 o   18.315   1.8434   40.550   7.8640   40.700   11.114   40.400   11.129   18.121   2.6779   18.048   2.6939 0.7306862E-01 3.798473 
1 1 1    2   33   35 o   14.147   1.9906   24.512   6.4659   22.400   9.2855   26.500   9.0091   13.244   3.0342   14.515   2.7286 -1.270835 4.080670 
1 1 1    2   33   36 o   28.271   2.1812   97.201   14.449   97.900   20.414   96.500   20.454   27.944   3.1485   27.725   3.1819 0.2192345 4.476386 
1 1 1    2   33   37 o   28.069   2.1883   96.140   14.389  102.800   20.215   89.300   20.487   28.614   3.0384   26.482   3.3511 2.131912 4.523464 
1 1 1    2   33   38 o   4.7410   1.6850   2.3439   2.3703  -0.1000   3.0148   6.3000   3.8358   4.0804   1.7493   7.1462   2.1202 -3.065748 2.748704 
1 1 1    2   33   39 o   15.835   1.8887   30.694   6.9228   34.300   9.4941   26.600   10.116   16.542   2.5093   14.327   3.0817 2.215011 3.974096 
1 1 1    2   33   40 o   15.297   1.6968   28.525   6.0259   35.500   8.6338   21.900   8.4143   16.915   2.2148   13.027   2.8173 3.887654 3.583685 
1 1 1    2   33   41 o   24.998   2.0001   76.614   11.708   85.700   16.590   67.600   16.524   26.042   2.7389   22.867   3.1433 3.175531 4.169142 
1 1 1    2   33   42 o   15.321   1.7867   28.938   6.3426   31.200   8.9939   26.700   8.9460   15.608   2.5266   14.317   2.7461 1.291389 3.731635 
1 1 1    2   33   43 o   10.730   1.8777   14.559   4.5842   17.100   6.3538   11.800   6.6207   11.428   2.4293   9.4193   2.7833 2.009070 3.694332 
1 1 1    2   33   44 o   15.861   1.8680   31.689   6.8623   27.000   9.4166   37.000   10.021   14.005   2.9410   16.677   2.6320 -2.671883 3.946723 
1 1 1    2   33   45 o   11.309   1.9611   16.510   5.0472   20.100   7.4082   13.400   6.8951   12.112   2.6627   9.8029   2.8245 2.309376 3.881714 
1 1 1    2   33   46 o   14.432   3.0207   29.800   9.9639   0.0000   0.0000   29.800   9.9639  ?   ?    14.432   3.0207 0.000000 3.020739 
1 1 1    2   33   47 o   8.9573   2.7379   11.300   6.3271   0.0000   0.0000   11.300   6.3271  ?   ?    8.9573   2.7379 0.000000 2.737949 
1 1 1    2   34    0 o   20.157   2.8028   50.800   12.603   50.800   12.603   50.800   12.603   20.157   2.8028   20.157   2.8028 -0.000000 0.000000 
1 1 1    2   34    1 o   14.765   1.7466   26.154   5.9717   26.600   8.4055   25.700   8.4855   14.776   2.4981   14.506   2.5713 0.2697229 3.584972 
1 1 1    2   34    2 o   15.937   1.7269   30.404   6.3951   33.100   9.0377   27.700   9.0504   16.542   2.3824   15.062   2.6409 1.480218 3.556726 
1 1 1    2   34    3 o   32.718   2.2217  127.422   17.063  112.700   24.067  142.300   24.194   30.586   3.3893   34.476   3.0019 -3.890249 4.527523 
1 1 1    2   34    4 o  100.798   5.4963  1229.65  130.328  1394.50  184.425  1065.20  184.199  106.335   7.3908   92.199   8.5582 14.13622 11.30777 
1 1 1    2   34    5 o   81.073   4.5806  790.601   87.334  755.300  123.598  825.800  123.420   78.402   6.7417   82.152   6.4130 -3.750145 9.304704 
1 1 1    2   34    6 o  104.692   5.8587  1331.59  144.255  1295.60  204.269  1367.40  203.747  101.643   8.5911  104.628   8.3153 -2.984947 11.95625 
1 1 1    2   34    7 o   26.048   2.0432   80.857   12.467   74.100   17.706   87.500   17.556   24.773   3.0944   27.000   2.7940 -2.227560 4.169137 
1 1 1    2   34    8 o  118.254   6.2281  1706.06  173.299  1891.10  246.085  1524.00  244.092  122.813   8.5386  109.405   9.5439 13.40813 12.80602 
1 1 1    2   34    9 o   84.143   4.7769  854.070   94.522  839.900  134.252  868.000  133.106   82.471   6.9588   83.944   6.7727 -1.472778 9.710465 
1 1 1    2   34   10 o   53.876   2.6815  344.773   34.114  458.200   48.770  236.100   47.737   61.918   3.3480   44.087   4.6558 17.83044 5.734617 
1 1 1    2   34   11 o   82.155   4.2146  811.252   81.487  962.500  115.840  663.100  114.648   88.946   5.5429   73.250   6.7025 15.69588 8.697514 
1 1 1    2   34   12 f   36.096   2.4205  155.334   20.512  126.700   29.026  183.900   28.992   32.317   3.8812   39.166   3.1617 -6.848541 5.006010 
1 1 1    2   34   13 o   73.678   4.2189  653.605   73.095  640.100  103.584  667.000  103.161   72.137   6.1394   73.722   5.9773 -1.585503 8.568569 
1 1 1    2   34   14 o   96.228   5.4137  1127.89  122.516  969.000  173.286  1286.70  173.241   87.218   8.5228  101.577   7.2707 -14.35926 11.20273 
1 1 1    2   34   15 f   47.233   2.8898  266.597   32.075  297.300   45.401  236.000   45.322   49.652   3.9038   44.068   4.4147 5.583504 5.893140 
1 1 1    2   34   16 o   51.196   2.7004  312.730   32.530  389.800   46.702  240.100   45.337   56.985   3.4875   44.438   4.3773 12.54616 5.596736 
1 1 1    2   34   17 o   33.798   2.3658  136.392   18.762  122.500   26.671  150.000   26.398   31.776   3.6191   35.296   3.2021 -3.519680 4.832356 
1 1 1    2   34   18 o   71.083   4.0931  610.683   68.413  603.400   96.975  617.900   96.529   69.778   5.9420   70.675   5.8363 -0.8966827 8.328837 
1 1 1    2   34   19 o   50.838   2.8533  309.385   34.114  359.500   48.882  261.800   47.632   54.529   3.8204   46.302   4.4097 8.226658 5.834507 
1 1 1    2   34   20 f   59.774   3.5501  431.177   49.884  396.400   70.625  465.800   70.469   56.530   5.3546   61.553   4.8885 -5.023232 7.250466 
1 1 1    2   34   21 o   74.863   4.0472  681.256   71.279  767.200  101.338  597.100  100.279   78.525   5.4999   68.723   6.2476 9.801117 8.323533 
1 1 1    2   34   22 o   35.435   2.4300  150.525   20.210  157.300   28.427  143.600   28.739   35.978   3.3859   34.297   3.6023 1.680836 4.943803 
1 1 1    2   34   23 o   26.931   2.9878   88.200   18.681   88.200   18.681   0.0000   0.0000   26.931   2.9878  ?   ?  0.000000 2.987825 
1 1 1    2   34   24 o   37.699   2.4903  170.833   22.044  183.000   31.197  158.700   31.154   38.718   3.4484   35.935   3.7255 2.782326 5.076438 
1 1 1    2   34   25 o   6.1574   2.0516   4.2747   3.4941   12.200   4.7703  -4.9000   5.1325   9.9292   2.1001   4.3454   2.0286 5.583784 2.919868 
1 1 1    2   34   26 o   30.691   2.1786  113.139   15.686  131.700   22.281   94.900   22.087   32.920   2.8958   27.729   3.4476 5.190178 4.502392 
1 1 1    2   34   27 o   50.237   4.5288  317.100   53.147   0.0000   0.0000  317.100   53.147  ?   ?    50.237   4.5288 0.000000 4.528827 
1 1 1    2   34   28 o   57.998   3.5036  412.583   47.758  421.700   67.601  403.500   67.478   57.525   5.0271   56.166   5.1449 1.358868 7.193181 
1 1 1    2   34   29 o   53.017   3.1823  343.188   39.655  363.900   56.373  322.900   55.793   53.747   4.4827   50.424   4.7414 3.322601 6.524995 
1 1 1    2   34   30 f   28.033   2.1254   94.620   13.964   81.100   19.620  108.500   19.879   25.574   3.3278   29.806   2.8596 -4.231808 4.387667 
1 1 1    2   34   31 o   15.075   1.9038   27.567   6.6257   33.800   9.2167   20.900   9.5317   16.595   2.4235   12.846   3.1633 3.749017 3.984916 
1 1 1    2   34   32 o   30.006   2.1367  108.621   15.040   93.600   21.146  124.000   21.397   27.419   3.3346   31.803   2.8804 -4.383335 4.406389 
1 1 1    2   34   33 o   12.339   2.0567   18.754   5.7814   32.400   7.9097   3.1000   8.4715   16.289   2.1056   7.5002   3.0502 8.789032 3.706410 
1 1 1    2   34   34 o   10.427   1.9501   13.466   4.6247   18.000   6.8173   9.6000   6.2946   11.966   2.4935   8.8534   2.7350 3.113069 3.701075 
1 1 1    2   34   35 o   17.595   1.9271   37.658   7.8757   34.900   11.260   40.300   11.020   16.600   2.9820   17.976   2.6779 -1.375509 4.007936 
1 1 1    2   34   36 o   39.538   2.6510  192.775   24.607  194.400   34.536  191.100   35.071   38.846   3.8142   38.424   3.9202 0.4222603 5.469546 
1 1 1    2   34   37 o   19.435   1.8670   45.951   8.4628   38.300   11.649   54.500   12.315   17.345   2.9499   20.934   2.5435 -3.589022 3.895040 
1 1 1    2   34   38 o   26.795   2.1155   87.715   13.277   90.400   18.901   85.100   18.654   26.738   3.0481   25.898   3.1126 0.8396282 4.356512 
1 1 1    2   34   39 o   7.5467   2.0554   7.1527   3.7618   9.6000   4.7868   3.2000   6.0834   8.6996   2.2964   6.5987   2.6184 2.100898 3.482782 
1 1 1    2   34   40 o   4.7417   1.7187   2.2727   2.4793  -0.8000   3.2269   6.7000   3.8735   3.9959   1.7599   7.3187   2.1194 -3.322767 2.754861 
1 1 1    2   34   41 o   12.209   1.7792   18.476   4.9785   17.500   6.9560   19.500   7.1286   11.597   2.6039   12.278   2.5424 -0.6813316 3.639186 
1 1 1    2   34   42 o   1.5945   0.7893  -2.5493   1.1054  -9.8000   3.4138  -1.7000   1.1684   2.5703   1.2898   1.8829   0.9043 0.6874049 1.575239 
1 1 1    2   34   43 o   17.268   1.9147   37.543   7.6760   38.900   10.883   36.200   10.828   17.011   2.8073   16.323   2.9164 0.6883793 4.047952 
1 1 1    2   34   44 o   10.453   2.0513   14.231   4.8822   10.200   6.4860   19.500   7.4161   8.6823   2.7892   11.928   2.6964 -3.245314 3.879452 
1 1 1    2   34   45 o   7.9084   2.4221   8.4000   4.9488   0.0000   0.0000   8.4000   4.9488  ?   ?    7.9084   2.4221 0.000000 2.422140 
1 1 1    2   34   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   35    0 o   35.689   3.5062  155.400   28.894  155.400   28.894  155.400   28.894   35.689   3.5062   35.689   3.5062 -0.000000 0.000000 
1 1 1    2   35    1 o   99.049   5.5155  1189.95  128.490  1191.00  181.760  1188.90  181.665   97.721   7.9456   97.632   7.9488 0.8871460E-01 11.23902 
1 1 1    2   35    2 o   53.461   3.1727  341.340   39.873  355.400   56.410  327.300   56.368   54.263   4.4413   52.007   4.6386 2.255905 6.421988 
1 1 1    2   35    3 o  103.542   5.7673  1303.56  140.452  1235.50  198.642  1371.60  198.615   99.084   8.5745  104.778   8.0901 -5.694656 11.78863 
1 1 1    2   35    4 o   26.265   2.0208   82.199   12.437   81.200   17.584   83.200   17.593   25.975   2.9172   26.303   2.8796 -0.3282471 4.099042 
1 1 1    2   35    5 o   33.522   2.2121  133.790   17.412  112.400   24.534  155.500   24.716   30.512   3.4667   36.046   2.9291 -5.534300 4.538441 
1 1 1    2   35    6 o   38.613   2.5353  177.744   22.988  174.200   32.718  181.200   32.306   38.019   3.6909   38.808   3.5653 -0.7888794 5.131612 
1 1 1    2   35    7 o   42.896   2.5543  219.247   25.756  251.100   36.812  188.700   36.050   45.759   3.4319   39.531   3.9133 6.228035 5.204987 
1 1 1    2   35    8 o   50.202   3.0658  301.133   36.170  286.500   51.299  315.600   51.007   48.624   4.5196   51.122   4.2642 -2.498127 6.213675 
1 1 1    2   35    9 o   31.331   2.2303  117.004   16.393   92.400   23.209  141.500   23.158   27.577   3.6540   34.372   2.8797 -6.794834 4.652349 
1 1 1    2   35   10 o   57.428   3.1659  394.199   42.766  469.800   60.785  320.100   60.178   62.448   4.1457   51.233   5.0395 11.21450 6.525554 
1 1 1    2   35   11 o   62.743   2.9258  468.643   43.348  616.000   62.518  332.200   60.158   71.665   3.7070   52.216   4.9376 19.44856 6.174263 
1 1 1    2   35   12 o   69.254   3.6537  575.316   59.539  672.000   84.751  481.100   83.662   74.431   4.8484   62.587   5.7242 11.84407 7.501574 
1 1 1    2   35   13 o   25.702   2.0310   78.809   12.226   66.500   17.332   91.000   17.248   23.394   3.2231   27.531   2.6874 -4.136799 4.196453 
1 1 1    2   35   14 o   60.550   3.6030  440.552   51.284  392.600   72.642  488.200   72.411   56.484   5.5168   63.304   4.8818 -6.820244 7.366593 
1 1 1    2   35   15 o   41.449   2.4251  204.912   23.632  244.400   33.766  167.000   33.085   45.123   3.1896   37.107   3.8310 8.015648 4.984984 
1 1 1    2   35   16 o   75.923   3.8496  694.573   68.791  836.500   98.216  557.900   96.381   82.753   5.0503   66.961   6.1647 15.79245 7.969321 
1 1 1    2   35   17 o   56.043   3.3052  377.482   43.546  396.100   61.781  359.100   61.388   56.938   4.6353   54.107   4.8564 2.830456 6.713463 
1 1 1    2   35   18 o   27.797   2.2183   92.458   14.439   76.000   20.685  108.100   20.165   24.886   3.6265   29.941   2.8880 -5.055073 4.635946 
1 1 1    2   35   19 o   32.756   2.1005  128.094   16.162  158.800   23.110   98.700   22.611   36.362   2.7109   28.450   3.4352 7.912420 4.376044 
1 1 1    2   35   20 o   62.908   3.7013  480.126   54.740  476.000   77.660  484.200   77.171   61.730   5.3815   62.317   5.2944 -0.5869408 7.549198 
1 1 1    2   35   21 o   61.261   3.5499  455.479   51.133  481.300   72.700  430.200   71.932   62.170   4.9943   58.596   5.2545 3.573441 7.249272 
1 1 1    2   35   22 o   19.299   1.9473   44.773   8.7531   38.000   12.756   50.800   12.033   17.489   3.2069   20.449   2.5471 -2.960077 4.095394 
1 1 1    2   35   23 o   29.337   2.1949  103.295   15.095   95.700   21.340  110.900   21.354   27.944   3.2977   30.187   3.0369 -2.242765 4.483009 
1 1 1    2   35   24 o   34.162   2.4156  140.456   19.361  129.500   27.647  151.000   27.121   32.391   3.6799   35.145   3.3069 -2.754040 4.947450 
1 1 1    2   35   25 o   58.826   3.1404  420.361   43.466  539.600   61.930  304.600   61.020   66.118   3.9852   48.717   5.3949 17.40157 6.707206 
1 1 1    2   35   26 o   21.276   1.9389   54.436   9.6338   50.700   13.427   58.400   13.830   20.301   2.8818   21.853   2.7404 -1.551702 3.976789 
1 1 1    2   35   27 o   47.267   2.8976  271.106   32.185  246.400   45.208  296.500   45.832   44.293   4.3797   48.851   4.0085 -4.557667 5.937155 
1 1 1    2   35   28 o   7.5711   2.1353   7.0453   3.9828   10.500   5.0081   1.1000   6.5698   9.1801   2.3117   6.3295   2.6408 2.850572 3.509675 
1 1 1    2   35   29 o   34.406   2.3233  142.781   18.766  133.900   26.294  152.000   26.790   32.906   3.4344   35.154   3.2646 -2.247208 4.738494 
1 1 1    2   35   30 o   18.396   1.8901   40.843   8.0936   36.200   11.499   45.400   11.394   17.034   2.9666   19.238   2.5725 -2.203556 3.926667 
1 1 1    2   35   31 o   21.370   1.9513   55.128   9.7381   49.800   13.681   60.600   13.864   20.007   2.9874   22.202   2.7001 -2.195736 4.026748 
1 1 1    2   35   32 o   16.352   1.9665   32.514   7.4408   21.600   10.369   44.100   10.684   12.983   3.3573   18.947   2.4449 -5.963807 4.153172 
1 1 1    2   35   33 o   26.242   2.1155   83.492   12.998   79.500   18.603   87.300   18.169   25.186   3.2001   26.519   2.9515 -1.332476 4.353401 
1 1 1    2   35   34 o   10.336   2.1357   13.360   5.0402   10.200   7.3954   16.100   6.8875   9.1851   2.9812   11.263   2.6363 -2.077750 3.979633 
1 1 1    2   35   35 o   21.102   1.9147   54.079   9.4369   74.900   13.402   33.600   13.291   24.712   2.3239   16.011   3.6025 8.701143 4.287070 
1 1 1    2   35   36 o   30.377   2.2947  113.031   16.339  132.700   23.002   93.000   23.212   32.505   3.0317   26.725   3.7839 5.779995 4.848668 
1 1 1    2   35   37 o   22.584   1.9721   62.138   10.411   72.500   14.768   51.900   14.680   24.129   2.6348   20.123   3.1963 4.006136 4.142238 
1 1 1    2   35   38 o   21.048   1.9510   54.115   9.5864   44.600   13.270   64.500   13.864   18.606   3.1317   22.699   2.6355 -4.093889 4.093100 
1 1 1    2   35   39 o   3.7993   1.6133   0.1066   2.5204  -2.9000   4.8806   1.2000   2.9432   4.5179   2.0615   4.4994   1.8092 0.1850605E-01 2.742785 
1 1 1    2   35   40 o   3.4289   1.6309  -4.4000   3.6081   0.0000   0.0000  -4.4000   3.6081  ?   ?    3.4289   1.6309 0.000000 1.630871 
1 1 1    2   35   41 o   10.689   2.4938   15.000   6.1791   0.0000   0.0000   15.000   6.1791  ?   ?    10.689   2.4938 0.000000 2.493752 
1 1 1    2   35   42 o   11.789   2.9121   19.100   8.0591   0.0000   0.0000   19.100   8.0591  ?   ?    11.789   2.9121 0.000000 2.912105 
1 1 1    2   35   43 o   5.9015   1.9949   4.1977   3.3035  -4.9000   4.9697   11.400   4.4218   4.1236   1.9472   9.3366   2.0608 -5.213026 2.835224 
1 1 1    2   35   44 f   8.5177   2.6790   9.9000   6.0090   9.9000   6.0090   0.0000   0.0000   8.5177   2.6790  ?   ?  0.000000 2.679049 
1 1 1    2   35   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   35   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   36    0 o   17.497   2.7882   38.900   10.644   38.900   10.644   38.900   10.644   17.497   2.7882   17.497   2.7882 -0.000000 0.000000 
1 1 1    2   36    1 o   71.106   4.0583  607.608   67.860  602.900   96.051  612.300   95.886   70.175   5.8497   70.749   5.7902 -0.5735931 8.230779 
1 1 1    2   36    2 o   79.604   4.4845  763.939   83.954  724.200  118.712  803.700  118.745   76.570   6.6311   80.875   6.2667 -4.305649 9.123767 
1 1 1    2   36    3 f   37.144   2.4256  164.455   21.159  145.100   29.888  183.900   29.958   34.651   3.7105   39.144   3.2710 -4.493622 4.946387 
1 1 1    2   36    4 f   68.848   3.9424  569.404   63.826  560.100   90.283  578.700   90.246   67.654   5.7046   68.818   5.6021 -1.163696 7.995339 
1 1 1    2   36    5 o   55.666   3.2849  370.780   42.987  360.700   60.732  380.900   60.854   54.504   4.7667   56.059   4.6387 -1.555843 6.651305 
1 1 1    2   36    6 o   31.129   2.1928  115.491   16.015  114.000   22.584  117.000   22.715   30.773   3.1524   31.184   3.1269 -0.4111481 4.440175 
1 1 1    2   36    7 o   56.895   3.2905  387.407   44.019  261.500   62.205  513.700   62.300   45.977   5.8630   65.327   4.0587 -19.34998 7.130758 
1 1 1    2   36    8 o   37.947   2.5852  171.906   23.027  141.700   32.705  201.600   32.427   34.120   4.1443   40.958   3.3831 -6.837910 5.349846 
1 1 1    2   36    9 o   69.850   3.9697  587.008   65.206  610.600   92.396  563.600   92.034   70.611   5.5871   67.723   5.8114 2.887718 8.061471 
1 1 1    2   36   10 o   43.996   2.6243  230.995   27.140  257.400   38.918  206.000   37.866   46.245   3.5921   41.258   3.9343 4.987347 5.327463 
1 1 1    2   36   11 o  100.085   5.5134  1225.50  129.799  1305.20  183.975  1146.50  183.156  101.625   7.7243   94.766   8.2676 6.858368 11.31448 
1 1 1    2   36   12 o   54.463   3.2041  355.496   41.025  378.300   58.152  332.900   57.884   55.812   4.4493   52.234   4.7447 3.577866 6.504525 
1 1 1    2   36   13 o   43.146   2.7523  222.643   27.895  196.400   39.520  248.700   39.379   40.152   4.2319   45.383   3.7070 -5.230457 5.625897 
1 1 1    2   36   14 o   37.589   2.4454  168.787   21.588  156.500   30.332  181.400   30.732   35.936   3.6240   38.773   3.3907 -2.837383 4.962848 
1 1 1    2   36   15 o   26.540   1.9808   84.076   12.325   95.700   17.563   72.800   17.299   28.209   2.6683   24.491   3.0579 3.718470 4.058414 
1 1 1    2   36   16 o   22.302   1.9801   59.527   10.319   53.200   14.873   65.400   14.330   20.858   3.1152   23.267   2.6557 -2.409492 4.093595 
1 1 1    2   36   17 f   62.842   3.6217  477.674   53.515  396.900   75.600  558.800   75.765   56.229   5.7759   67.399   4.7917 -11.17017 7.504726 
1 1 1    2   36   18 o   43.623   2.4748  227.808   25.387  279.900   36.294  177.900   35.525   48.152   3.2103   38.088   4.0101 10.06419 5.136785 
1 1 1    2   36   19 o   15.382   1.9888   28.606   7.0544   19.500   10.538   36.000   9.4962   12.513   3.4534   17.205   2.4030 -4.691834 4.207195 
1 1 1    2   36   20 o   26.139   2.1915   82.037   13.402   70.200   19.467   92.700   18.477   23.825   3.5703   27.640   2.8730 -3.815092 4.582648 
1 1 1    2   36   21 o   38.389   2.6275  177.473   23.675  151.200   33.692  203.100   33.275   34.894   4.1717   40.786   3.4886 -5.892197 5.438137 
1 1 1    2   36   22 o   52.230   3.1628  330.928   38.823  339.200   55.319  322.900   54.499   52.159   4.5366   50.851   4.5881 1.307156 6.452231 
1 1 1    2   36   23 o   33.464   2.3057  134.625   18.109  138.300   25.880  131.100   25.347   33.611   3.3035   32.708   3.3282 0.9034195 4.689366 
1 1 1    2   36   24 o   65.445   3.9812  529.069   61.232  478.600   86.829  579.000   86.364   60.408   6.1738   67.167   5.4933 -6.758629 8.263890 
1 1 1    2   36   25 o   43.186   2.7699  225.778   28.098  224.600   40.237  226.900   39.256   42.482   4.0605   42.768   3.9311 -0.2865105 5.651626 
1 1 1    2   36   26 o   17.806   1.9433   38.281   8.0385   30.000   11.653   45.800   11.104   15.422   3.2996   19.372   2.4845 -3.950649 4.130420 
1 1 1    2   36   27 o   12.830   1.8100   20.001   5.3313   25.300   8.5264   16.600   6.8315   14.278   2.6256   11.524   2.5753 2.754846 3.677806 
1 1 1    2   36   28 o   33.401   2.3341  134.603   18.294  125.400   25.806  143.900   25.938   31.814   3.4925   34.206   3.2502 -2.392094 4.770878 
1 1 1    2   36   29 o   19.965   1.9551   48.121   9.0991   52.600   12.769   43.500   12.969   20.695   2.6757   18.680   3.0450 2.014164 4.053573 
1 1 1    2   36   30 o   31.773   2.3402  122.321   17.434  126.100   24.752  118.600   24.560   31.851   3.3407   30.838   3.4309 1.012880 4.788682 
1 1 1    2   36   31 o   14.291   1.8091   24.818   5.9681   29.200   8.3764   20.300   8.5054   15.374   2.3845   12.648   2.9085 2.725938 3.761000 
1 1 1    2   36   32 o   17.590   1.9723   37.626   8.0511   43.600   11.102   31.000   11.692   18.773   2.5721   15.555   3.2862 3.217768 4.173144 
1 1 1    2   36   33 o   28.593   2.1455   99.358   14.380  111.700   20.413   87.200   20.261   29.974   2.9211   26.247   3.3450 3.727478 4.440968 
1 1 1    2   36   34 o   16.848   1.8647   34.567   7.2941   23.800   10.423   44.900   10.211   13.532   3.2931   19.087   2.3127 -5.554045 4.024088 
1 1 1    2   36   35 o   28.097   2.2016   96.466   14.490   85.100   20.506  107.800   20.477   25.753   3.4595   29.301   3.0019 -3.547796 4.580382 
1 1 1    2   36   36 o   18.864   1.9784   43.482   8.6816   35.700   12.607   50.500   11.973   16.568   3.3377   20.122   2.5792 -3.553480 4.218112 
1 1 1    2   36   37 o   16.471   1.9439   33.284   7.4149   34.400   10.564   32.200   10.410   16.427   2.8253   15.856   2.8868 0.5707598 4.039296 
1 1 1    2   36   38 o   8.0146   2.4607   8.0000   5.1041   0.0000   0.0000   8.0000   5.1041  ?   ?    8.0146   2.4607 0.000000 2.460699 
1 1 1    2   36   39 o   16.975   2.8251   37.300   10.926   0.0000   0.0000   37.300   10.926  ?   ?    16.975   2.8251 0.000000 2.825128 
1 1 1    2   36   40 o   17.076   1.9601   36.386   7.7605   44.100   11.096   29.000   10.858   18.457   2.6194   14.570   3.2397 3.887084 4.166148 
1 1 1    2   36   41 o   32.082   2.3036  131.393   17.335  140.200   24.741  122.900   24.296   31.888   3.3351   29.572   3.5503 2.315706 4.871101 
1 1 1    2   36   42 o   13.922   2.8490   26.600   9.0508   26.600   9.0508   0.0000   0.0000   13.922   2.8490  ?   ?  0.000000 2.849023 
1 1 1    2   36   43 o   7.7832   2.6493   7.9000   5.8266   7.9000   5.8266   0.0000   0.0000   7.7832   2.6493  ?   ?  0.000000 2.649262 
1 1 1    2   36   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   36   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   37    0 o   25.024   2.9660   77.300   16.878   77.300   16.878   77.300   16.878   25.024   2.9660   25.024   2.9660 0.000000 0.000000 
1 1 1    2   37    1 o   43.030   2.7004  221.055   27.299  248.300   38.604  193.800   38.610   45.421   3.6295   39.968   4.1516 5.453552 5.514453 
1 1 1    2   37    2 o   62.951   3.6461  475.668   53.967  454.300   76.263  497.100   76.378   60.943   5.3537   63.865   5.1073 -2.922062 7.399064 
1 1 1    2   37    3 o   37.169   2.4379  164.789   21.278  170.500   30.121  159.100   30.063   37.627   3.4277   36.310   3.5517 1.317020 4.935969 
1 1 1    2   37    4 o   51.641   3.0963  319.090   37.584  312.600   53.110  325.600   53.193   50.747   4.4779   51.827   4.3876 -1.079842 6.269200 
1 1 1    2   37    5 o   77.827   4.1952  730.391   76.813  588.900  108.417  873.000  108.845   68.702   6.7710   84.500   5.4846 -15.79780 8.713593 
1 1 1    2   37    6 o   72.591   4.1329  635.531   70.550  696.300   99.788  574.800   99.757   75.319   5.6519   68.092   6.2748 7.226662 8.444917 
1 1 1    2   37    7 o   35.541   2.3491  150.686   19.603  131.500   27.677  170.000   27.769   32.947   3.6169   37.611   3.1559 -4.664051 4.800127 
1 1 1    2   37    8 o   33.662   2.3498  135.262   18.561  117.100   26.330  153.200   26.168   31.054   3.6611   35.691   3.1368 -4.637043 4.821076 
1 1 1    2   37    9 o   18.289   1.9527   40.111   8.3025   35.200   12.318   44.200   11.239   16.895   3.2048   19.111   2.5544 -2.215322 4.098281 
1 1 1    2   37   10 f   15.417   1.7763   28.538   6.3483   25.400   8.9609   31.700   8.9949   14.368   2.7411   16.152   2.4339 -1.783228 3.665732 
1 1 1    2   37   11 o   35.382   2.3366  149.480   19.412  170.200   27.602  129.200   27.307   37.605   3.1370   32.620   3.6053 4.984821 4.778972 
1 1 1    2   37   12 o   38.036   2.4141  172.858   21.571  192.400   30.907  154.300   30.119   39.938   3.3070   35.655   3.6278 4.282597 4.908882 
1 1 1    2   37   13 o   23.983   2.0267   68.798   11.371   62.600   16.353   74.600   15.821   22.658   3.1409   24.855   2.7413 -2.197086 4.168908 
1 1 1    2   37   14 o   65.927   3.9220  527.193   60.781  479.100   86.177  574.800   85.740   61.759   5.9842   68.072   5.3778 -6.312412 8.045601 
1 1 1    2   37   15 o   71.082   4.1541  615.758   69.423  599.300   98.503  632.000   97.858   68.890   6.1189   70.918   5.8970 -2.027679 8.498034 
1 1 1    2   37   16 o   60.006   3.5666  436.315   50.309  408.100   71.230  464.400   71.067   57.127   5.3424   61.196   4.9606 -4.069649 7.290307 
1 1 1    2   37   17 o   71.565   4.1881  627.528   70.467  564.300   99.717  690.600   99.594   66.223   6.4590   73.924   5.7507 -7.701195 8.648033 
1 1 1    2   37   18 o   47.984   2.9805  277.910   33.604  264.200   47.629  291.500   47.419   46.183   4.4215   48.652   4.1677 -2.469040 6.076162 
1 1 1    2   37   19 o   15.858   1.8169   30.289   6.6808   34.300   9.9529   27.000   9.0129   16.730   2.6040   14.787   2.6799 1.943436 3.736706 
1 1 1    2   37   20 o   43.722   2.8646  230.989   29.411  209.200   41.876  252.200   41.317   40.968   4.3975   45.262   3.9040 -4.294041 5.880395 
1 1 1    2   37   21 o   7.2997   2.1437   6.4711   3.9383   6.8000   6.7321   6.3000   4.8558   8.0275   2.8411   7.3894   2.4165 0.6380992 3.729797 
1 1 1    2   37   22 o   14.369   1.7556   24.931   5.8327   34.600   9.3635   18.800   7.4560   16.823   2.4272   12.277   2.6495 4.545825 3.593234 
1 1 1    2   37   23 o   24.146   1.9599   69.998   11.078   70.600   15.698   69.400   15.637   24.042   2.8186   23.830   2.8345 0.2125244 3.997352 
1 1 1    2   37   24 o   39.167   2.4420  184.836   22.474  204.900   32.166  165.700   31.413   40.890   3.3610   36.608   3.6839 4.282246 4.986749 
1 1 1    2   37   25 o   27.859   2.0898   93.300   13.648   83.200   19.254  103.500   19.349   25.982   3.2062   29.137   2.8486 -3.154655 4.288842 
1 1 1    2   37   26 o   10.178   1.9443   12.773   4.5024   11.100   6.7709   14.100   6.0282   9.5050   2.8163   10.624   2.4526 -1.119164 3.734488 
1 1 1    2   37   27 o   70.408   4.0761  618.258   67.479  663.800   95.686  573.200   95.176   71.143   5.7448   65.527   6.2257 5.615875 8.471258 
1 1 1    2   37   28 o   40.091   2.6799  195.416   25.224  169.500   35.788  221.000   35.557   36.550   4.2243   42.166   3.6058 -5.616093 5.553974 
1 1 1    2   37   29 o   24.781   1.9485   74.014   11.310   79.400   16.126   68.800   15.867   25.433   2.7277   23.593   2.9097 1.840080 3.988341 
1 1 1    2   37   30 o   32.469   2.4063  128.246   18.318  112.100   26.194  143.700   25.626   29.686   3.8257   33.991   3.2316 -4.304798 5.007862 
1 1 1    2   37   31 o   38.997   2.6495  186.227   24.254  177.000   34.640  195.100   33.969   37.177   4.0093   39.264   3.7077 -2.086899 5.460953 
1 1 1    2   37   32 o   24.078   2.1368   70.602   12.023   58.500   17.425   81.600   16.610   21.313   3.5898   25.637   2.7888 -4.323629 4.545774 
1 1 1    2   37   33 o   27.250   2.1367   90.462   13.639   89.500   19.412   91.400   19.167   26.637   3.1469   26.965   3.0646 -0.3276348 4.392595 
1 1 1    2   37   34 o   22.011   2.1197   59.233   10.881   38.700   15.660   78.400   15.130   17.021   3.9692   25.155   2.5840 -8.133429 4.736187 
1 1 1    2   37   35 o   15.740   1.8948   30.307   6.9008   25.500   10.110   34.500   9.4428   14.023   3.1322   16.614   2.4830 -2.591867 3.997036 
1 1 1    2   37   36 o   22.560   2.8651   64.300   14.919   0.0000   0.0000   64.300   14.919  ?   ?    22.560   2.8651 0.000000 2.865148 
1 1 1    2   37   37 o   16.276   2.6563   33.700   9.8565   0.0000   0.0000   33.700   9.8565  ?   ?    16.276   2.6563 0.000000 2.656255 
1 1 1    2   37   38 o   22.409   2.8892   64.700   14.933   0.0000   0.0000   64.700   14.933  ?   ?    22.409   2.8892 0.000000 2.889194 
1 1 1    2   37   39 o   37.177   4.0219  195.200   34.744   0.0000   0.0000  195.200   34.744  ?   ?    37.177   4.0219 0.000000 4.021905 
1 1 1    2   37   40 o   11.297   2.1550   16.508   5.5390   21.300   7.6404   11.200   8.0416   12.622   2.6479   9.1970   3.1124 3.425301 4.086383 
1 1 1    2   37   41 o   9.8497   2.7556   13.300   6.6608   13.300   6.6608   0.0000   0.0000   9.8497   2.7556  ?   ?  0.000000 2.755599 
1 1 1    2   37   42 o   3.7140   1.7422  -3.5000   3.8625  -3.5000   3.8625   0.0000   0.0000   3.7140   1.7422  ?   ?  0.000000 1.742153 
1 1 1    2   37   43 o   10.444   2.8570   15.400   7.2497   15.400   7.2497   0.0000   0.0000   10.444   2.8570  ?   ?  0.000000 2.857047 
1 1 1    2   37   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   38    0 o   19.161   2.7936   46.200   11.856   46.200   11.856   46.200   11.856   19.161   2.7936   19.161   2.7936 0.000000 0.000000 
1 1 1    2   38    1 o   35.310   2.3220  148.745   19.252  165.600   27.312  132.100   27.142   37.111   3.1463   33.032   3.5346 4.079216 4.732039 
1 1 1    2   38    2 o   37.811   2.3996  170.600   21.314  204.000   30.233  137.600   30.052   41.219   3.1296   33.642   3.8523 7.576611 4.963352 
1 1 1    2   38    3 o   60.293   3.4842  436.704   49.393  472.100   69.948  401.500   69.758   62.229   4.7972   57.191   5.2230 5.038120 7.091772 
1 1 1    2   38    4 o   32.512   2.2382  126.132   17.078  134.600   24.179  117.700   24.127   33.435   3.0976   31.198   3.3263 2.236761 4.545296 
1 1 1    2   38    5 o   32.769   2.2734  128.192   17.483  124.500   24.697  131.900   24.752   32.095   3.3060   33.065   3.2106 -0.9704857 4.608460 
1 1 1    2   38    6 o   50.467   2.9221  304.947   34.674  249.800   48.903  360.700   49.171   45.162   4.6522   54.638   3.8354 -9.475605 6.029386 
1 1 1    2   38    7 o   14.396   1.7358   24.918   5.7817   29.800   8.1612   20.000   8.1919   15.675   2.2711   12.705   2.8054 2.969099 3.609478 
1 1 1    2   38    8 o   50.810   3.0165  309.671   36.030  275.300   50.859  344.300   51.050   47.399   4.6020   53.245   4.0915 -5.846272 6.157826 
1 1 1    2   38    9 o   74.320   4.2375  670.841   74.058  692.900  104.876  648.900  104.593   74.505   6.0123   71.954   6.2169 2.551300 8.648613 
1 1 1    2   38   10 o   32.677   2.3594  127.764   18.083  115.300   25.854  139.700   25.301   30.747   3.6310   33.997   3.1889 -3.250057 4.832499 
1 1 1    2   38   11 o   37.514   2.5488  168.617   22.444  155.600   32.014  181.200   31.475   35.691   3.8601   38.657   3.4856 -2.966511 5.200877 
1 1 1    2   38   12 o   63.983   3.6293  495.452   54.607  409.800   77.115  581.600   77.338   57.087   5.8011   68.729   4.7953 -11.64198 7.526511 
1 1 1    2   38   13 o   22.707   1.9508   61.731   10.359   51.900   14.710   71.400   14.589   20.567   3.1273   24.317   2.5802 -3.749161 4.054322 
1 1 1    2   38   14 o   21.424   1.9904   55.058   9.9541   49.600   14.518   59.900   13.674   20.075   3.1676   22.223   2.6586 -2.147963 4.135428 
1 1 1    2   38   15 o   54.801   3.3181  363.669   42.735  353.800   60.652  373.400   60.224   53.291   4.8737   54.859   4.6942 -1.567894 6.766716 
1 1 1    2   38   16 o   18.606   1.9107   41.610   8.2758   35.000   12.003   47.600   11.426   16.787   3.1436   19.799   2.4996 -3.012251 4.016190 
1 1 1    2   38   17 o   17.516   1.7138   36.800   6.9975   48.700   10.145   26.000   9.6647   20.091   2.1729   14.453   2.9322 5.638354 3.649564 
1 1 1    2   38   18 o   20.385   1.9864   49.976   9.4402   44.100   13.831   55.100   12.916   18.851   3.2229   21.277   2.6265 -2.425980 4.157638 
1 1 1    2   38   19 o   41.334   2.6817  206.116   26.033  200.500   37.037  211.600   36.598   40.271   3.9455   41.454   3.7803 -1.183670 5.464206 
1 1 1    2   38   20 f   12.311   1.9178   18.482   5.3935   22.400   8.6605   16.000   6.8935   13.394   2.8270   11.319   2.6293 2.074740 3.860760 
1 1 1    2   38   21 o   53.652   3.2535  350.582   41.024  352.200   58.337  349.000   57.702   52.902   4.7195   52.681   4.6875 0.2208061 6.651752 
1 1 1    2   38   22 o   15.057   1.6980   27.312   5.9316   39.200   8.6159   16.600   8.1783   18.003   2.0640   11.505   2.9848 6.497803 3.628913 
1 1 1    2   38   23 o   74.349   4.0719  685.110   71.217  776.000  101.246  596.100  100.193   77.584   5.5634   67.054   6.4057 10.52994 8.484361 
1 1 1    2   38   24 o   19.684   1.8637   46.617   8.5596   45.900   12.255   47.300   11.960   19.318   2.7656   19.648   2.6451 -0.3301849 3.826883 
1 1 1    2   38   25 o   5.1631   1.8130   2.8037   2.7369   0.2000   4.4394   4.4000   3.4761   5.0623   2.1449   6.2044   2.0453 -1.142119 2.963736 
1 1 1    2   38   26 o   46.953   2.9491  268.836   32.532  255.800   46.071  281.800   45.942   44.939   4.3980   47.356   4.1503 -2.416920 6.047097 
1 1 1    2   38   27 o   24.618   2.0363   73.127   11.731   67.400   16.487   79.000   16.696   23.309   3.0701   25.347   2.8381 -2.037975 4.180915 
1 1 1    2   38   28 o   32.395   2.4238  127.504   18.407  100.000   26.227  154.200   25.839   27.935   4.0977   35.324   3.1302 -7.388157 5.156533 
1 1 1    2   38   29 o   49.376   3.1296  301.306   36.301  288.600   51.554  313.800   51.122   47.033   4.7050   49.310   4.4381 -2.276806 6.467895 
1 1 1    2   38   30 o   21.357   1.9326   55.251   9.6409   54.600   13.649   55.900   13.620   20.934   2.8340   21.203   2.7878 -0.2689075 3.975355 
1 1 1    2   38   31 o   14.426   1.7959   25.355   5.9854   20.200   8.3887   30.700   8.5426   12.571   2.8869   15.732   2.3733 -3.161547 3.737221 
1 1 1    2   38   32 o   14.528   1.7881   25.733   6.0050   21.600   8.5270   29.800   8.4581   12.995   2.8567   15.474   2.3919 -2.479168 3.725890 
1 1 1    2   38   33 o   9.1906   1.8476   10.520   3.8706  10.0000   5.9557   10.900   5.0927   8.9355   2.6397   9.2835   2.3275 -0.3479319 3.519265 
1 1 1    2   38   34 o   24.423   2.9245   75.100   16.531   0.0000   0.0000   75.100   16.531  ?   ?    24.423   2.9245 0.000000 2.924523 
1 1 1    2   38   35 o   33.693   3.5161  146.500   27.563   0.0000   0.0000  146.500   27.563  ?   ?    33.693   3.5161 0.000000 3.516140 
1 1 1    2   38   36 o   25.629   3.0402   84.100   18.040   0.0000   0.0000   84.100   18.040  ?   ?    25.629   3.0402 0.000000 3.040247 
1 1 1    2   38   37 o   24.892   3.0595   80.500   17.605   0.0000   0.0000   80.500   17.605  ?   ?    24.892   3.0595 0.000000 3.059467 
1 1 1    2   38   38 o   6.0031   2.4537   2.2000   5.5168   0.0000   0.0000   2.2000   5.5168  ?   ?    6.0031   2.4537 0.000000 2.453665 
1 1 1    2   38   39 o   6.3043   2.2903   4.4000   4.4065   0.0000   0.0000   4.4000   4.4065  ?   ?    6.3043   2.2903 0.000000 2.290298 
1 1 1    2   38   40 o   22.530   2.1027   64.621   11.057   75.400   15.483   53.400   15.796   23.694   2.8228   19.185   3.6196 4.509613 4.590167 
1 1 1    2   38   41 o   8.1661   2.6287   8.9000   5.7588   8.9000   5.7588   0.0000   0.0000   8.1661   2.6287  ?   ?  0.000000 2.628690 
1 1 1    2   38   42 o   10.535   2.9072   15.700   7.4685   15.700   7.4685   0.0000   0.0000   10.535   2.9072  ?   ?  0.000000 2.907218 
1 1 1    2   38   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   39    0 f   10.362   2.9763   15.500   6.3146   15.500   6.3146   15.500   6.3146   10.362   2.9763   10.362   2.9763 -0.000000 0.000000 
1 1 1    2   39    1 o   36.048   2.3929  155.343   20.253  134.400   28.603  176.400   28.681   33.219   3.7097   38.244   3.2055 -5.024731 4.902722 
1 1 1    2   39    2 o   89.431   5.0831  982.332  106.902  931.900  151.155  1032.80  151.208   85.105   7.6015   90.018   7.1730 -4.913078 10.45155 
1 1 1    2   39    3 o   13.100   1.7999   20.734   5.4205   23.800   7.6863   17.700   7.6454   13.942   2.4226   11.942   2.7656 1.999663 3.676596 
1 1 1    2   39    4 o   40.789   2.6028  199.194   24.939  206.600   35.282  191.800   35.255   41.270   3.6584   39.709   3.8065 1.560925 5.279513 
1 1 1    2   39    5 f   64.278   3.6793  499.397   55.614  461.600   78.492  537.500   78.809   60.916   5.5166   66.005   5.0958 -5.089352 7.510025 
1 1 1    2   39    6 f   28.402   2.0982   96.415   13.973  105.200   19.800   87.700   19.721   29.524   2.8766   26.866   3.1696 2.658136 4.280324 
1 1 1    2   39    7 o   42.116   2.6391  212.579   26.114  181.900   36.888  243.400   36.973   38.525   4.1187   44.827   3.5212 -6.301544 5.418717 
1 1 1    2   39    8 f   22.323   1.9040   59.612   9.9406   67.300   14.047   51.900   14.069   23.612   2.5604   20.612   2.9769 3.000664 3.926527 
1 1 1    2   39    9 o   53.030   3.1281  338.813   38.998  372.000   55.266  305.900   55.037   55.106   4.2807   49.734   4.7440 5.372574 6.389842 
1 1 1    2   39   10 o   53.515   3.1936  345.613   40.173  318.900   56.774  372.400   56.853   50.713   4.7980   55.028   4.4123 -4.315781 6.518438 
1 1 1    2   39   11 o   57.570   3.4472  401.608   46.647  395.200   66.271  407.900   65.671   56.302   5.0379   57.284   4.9020 -0.9825745 7.029274 
1 1 1    2   39   12 o   16.537   1.7102   32.817   6.5816   51.600   10.196   19.400   8.6175   20.708   2.1148   12.465   2.9700 8.243656 3.645989 
1 1 1    2   39   13 o   50.878   2.8811  311.805   34.472  250.500   48.384  375.000   49.125   44.871   4.6331   55.430   3.7756 -10.55862 5.976727 
1 1 1    2   39   14 o   15.768   1.7750   29.922   6.4944   32.100   9.3597   27.900   9.0187   16.192   2.5308   15.050   2.6337 1.142129 3.652593 
1 1 1    2   39   15 o   22.616   1.9560   61.358   10.343   64.900   15.065   58.200   14.226   23.075   2.8238   21.834   2.8255 1.241306 3.994662 
1 1 1    2   39   16 o   52.000   2.9816  326.994   36.459  371.300   51.983  284.100   51.148   54.894   4.0387   47.683   4.5997 7.211246 6.121116 
1 1 1    2   39   17 o   41.127   2.7155  204.179   26.223  169.300   37.181  238.700   36.990   36.791   4.3649   44.139   3.5798 -7.347942 5.645147 
1 1 1    2   39   18 o   23.798   1.8320   67.826   10.216   86.300   14.752   50.800   14.162   26.747   2.3598   20.295   3.0494 6.452108 3.855801 
1 1 1    2   39   19 o   38.326   2.5856  177.221   23.263  155.800   33.033  198.300   32.767   35.385   4.0249   40.211   3.4854 -4.826115 5.324254 
1 1 1    2   39   20 o   27.238   2.1931   89.282   13.986   80.800   20.264   97.000   19.328   25.546   3.4471   28.192   2.9469 -2.645777 4.535108 
1 1 1    2   39   21 o   5.8705   2.0722   3.6022   3.5792  -8.3000   6.1832   9.6000   4.3893   4.4166   2.1101   8.7887   2.1359 -4.372108 3.002464 
1 1 1    2   39   22 o   49.112   3.0581  293.507   35.289  289.500   50.270  297.400   49.551   47.966   4.4905   48.710   4.3538 -0.7435722 6.254618 
1 1 1    2   39   23 o   25.286   2.0462   76.912   12.113   66.200   17.180   87.500   17.081   23.119   3.2356   26.796   2.7380 -3.676682 4.238577 
1 1 1    2   39   24 o   17.653   1.8162   37.565   7.4630   39.000   10.690   36.200   10.423   17.801   2.6217   17.127   2.6638 0.6742783 3.737592 
1 1 1    2   39   25 o   41.115   2.7188  205.646   26.247  189.700   37.291  221.300   36.949   38.741   4.1404   42.109   3.7553 -3.367905 5.589731 
1 1 1    2   39   26 o   25.555   2.0128   78.763   12.048   85.900   17.339   72.100   16.753   26.438   2.8209   24.132   3.0051 2.305397 4.121648 
1 1 1    2   39   27 o   35.616   2.5837  154.701   21.581  116.200   30.703  192.300   30.342   29.887   4.4892   39.351   3.2956 -9.463955 5.569041 
1 1 1    2   39   28 o   46.907   3.0680  271.785   33.796  222.500   47.934  320.500   47.656   40.906   5.0712   50.146   4.0594 -9.240578 6.495853 
1 1 1    2   39   29 o   34.160   2.2376  141.790   17.950  162.700   26.091  123.000   24.734   36.156   3.0855   31.227   3.4097 4.929029 4.598535 
1 1 1    2   39   30 o   24.388   2.1437   72.469   12.220   55.500   17.561   88.400   17.015   20.664   3.7365   26.706   2.7367 -6.042381 4.631521 
1 1 1    2   39   31 o   19.127   1.8931   44.473   8.4381   42.300   12.147   46.500   11.730   18.302   2.9081   19.310   2.6418 -1.008686 3.928854 
1 1 1    2   39   32 o   10.849   2.6134   15.000   6.6156   0.0000   0.0000   15.000   6.6156  ?   ?    10.849   2.6134 0.000000 2.613419 
1 1 1    2   39   33 o   11.710   2.4765   17.400   6.6339   0.0000   0.0000   17.400   6.6339  ?   ?    11.710   2.4765 0.000000 2.476508 
1 1 1    2   39   34 o   9.2532   2.4433   10.900   5.4174   0.0000   0.0000   10.900   5.4174  ?   ?    9.2532   2.4433 0.000000 2.443267 
1 1 1    2   39   35 o   20.457   2.8009   53.300   13.175   0.0000   0.0000   53.300   13.175  ?   ?    20.457   2.8009 0.000000 2.800879 
1 1 1    2   39   36 o   12.366   2.7108   20.000   7.6975   0.0000   0.0000   20.000   7.6975  ?   ?    12.366   2.7108 0.000000 2.710776 
1 1 1    2   39   37 o   33.785   3.8407  159.500   30.096   0.0000   0.0000  159.500   30.096  ?   ?    33.785   3.8407 0.000000 3.840712 
1 1 1    2   39   38 o   24.677   3.1769   83.000   18.082   0.0000   0.0000   83.000   18.082  ?   ?    24.677   3.1769 0.000000 3.176865 
1 1 1    2   39   39 o   3.5421   1.7149  -6.7000   4.4100   0.0000   0.0000  -6.7000   4.4100  ?   ?    3.5421   1.7149 0.000000 1.714870 
1 1 1    2   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   39   41 o   6.6957   2.4520   5.2000   5.0653   5.2000   5.0653   0.0000   0.0000   6.6957   2.4520  ?   ?  0.000000 2.452032 
1 1 1    2   39   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   40    0 o   31.187   3.2322  119.500   23.217  119.500   23.217  119.500   23.217   31.187   3.2322   31.187   3.2322 0.000000 0.000000 
1 1 1    2   40    1 o   40.927   2.3498  200.335   22.614  138.200   31.679  264.900   32.292   33.496   4.0901   46.925   2.9289 -13.42975 5.030629 
1 1 1    2   40    2 o   48.406   2.9108  281.792   33.117  305.700   46.992  258.200   46.680   50.025   4.0118   45.806   4.3686 4.219700 5.931231 
1 1 1    2   40    3 o   55.531   3.3038  372.484   43.127  358.100   60.957  386.900   61.024   53.751   4.8550   55.988   4.6580 -2.237801 6.728167 
1 1 1    2   40    4 o   65.708   3.5616  523.067   55.055  646.100   78.110  401.600   77.611   72.457   4.5890   56.281   5.9290 16.17557 7.497459 
1 1 1    2   40    5 o   32.440   2.2686  126.043   17.269  123.900   24.384  128.200   24.459   31.915   3.2824   32.484   3.2316 -0.5686531 4.606251 
1 1 1    2   40    6 o   60.332   3.5548  441.532   50.421  464.300   71.334  418.800   71.278   61.102   4.9875   57.840   5.2768 3.262512 7.260808 
1 1 1    2   40    7 o   30.971   2.1969  114.877   15.963  105.000   22.548  124.800   22.602   29.335   3.3131   32.094   3.0177 -2.759079 4.481400 
1 1 1    2   40    8 o   14.576   1.7616   25.600   5.9404   25.600   8.4523   25.600   8.3507   14.421   2.5766   14.427   2.5442 -0.6280899E-02 3.621026 
1 1 1    2   40    9 o   41.694   2.6415  208.968   25.872  198.300   36.533  219.700   36.644   40.193   3.8983   42.402   3.6968 -2.209373 5.372406 
1 1 1    2   40   10 o   29.497   2.1432  104.250   14.826  108.200   21.103  100.400   20.834   29.840   3.0373   28.709   3.1235 1.130112 4.356777 
1 1 1    2   40   11 f   18.198   1.8243   39.768   7.7337   41.400   10.879   38.100   10.996   18.424   2.5706   17.624   2.7306 0.7992878 3.750252 
1 1 1    2   40   12 o   42.470   2.6928  217.294   26.865  234.600   38.056  200.100   37.932   43.750   3.7189   40.246   4.0461 3.504185 5.495582 
1 1 1    2   40   13 f   35.809   2.2493  153.771   18.924  178.100   27.278  131.200   26.274   38.315   3.0400   32.716   3.4531 5.598637 4.600585 
1 1 1    2   40   14 o   31.980   2.3168  122.927   17.377  106.100   24.706  139.400   24.446   29.306   3.6492   33.841   3.0933 -4.534489 4.783857 
1 1 1    2   40   15 o   36.746   2.4569  162.500   21.196  122.800   29.975  202.200   29.975   31.350   4.1513   40.776   3.1372 -9.426226 5.203401 
1 1 1    2   40   16 o   38.598   2.1290  178.445   19.330  241.100   27.987  121.300   26.729   44.713   2.6628   31.326   3.6837 13.38776 4.545359 
1 1 1    2   40   17 o   35.516   2.3416  151.674   19.528  163.900   27.881  139.900   27.360   36.625   3.2579   33.733   3.4851 2.891991 4.770680 
1 1 1    2   40   18 o   6.4910   2.0012   5.0204   3.3718   14.700   5.3147  -1.5000   4.3620   10.908   2.1398   4.5747   2.0289 6.333167 2.948761 
1 1 1    2   40   19 o   11.433   1.9002   15.989   4.9500   20.000   7.2574   12.500   6.7687   12.694   2.5102   10.030   2.7676 2.663849 3.736404 
1 1 1    2   40   20 o   41.985   2.7417  213.431   27.033  200.700   38.430  225.900   38.033   40.091   4.1180   42.716   3.8105 -2.625816 5.610487 
1 1 1    2   40   21 o   51.174   3.2357  319.816   38.899  290.500   55.265  348.600   54.761   47.698   4.9801   52.680   4.4436 -4.981533 6.674382 
1 1 1    2   40   22 o   24.172   2.0084   70.325   11.360   67.000   16.125   73.600   16.006   23.318   2.9979   24.514   2.8162 -1.195370 4.113216 
1 1 1    2   40   23 o   27.352   2.1282   90.226   13.638   82.100   19.440   98.100   19.137   25.715   3.2759   28.280   2.9071 -2.565186 4.379765 
1 1 1    2   40   24 o   20.721   1.9181   51.801   9.2786   48.000   13.211   55.500   13.034   19.658   2.9360   21.255   2.6549 -1.596640 3.958349 
1 1 1    2   40   25 o   27.784   2.1688   93.410   14.116   81.600   20.102  104.900   19.828   25.496   3.4256   29.179   2.9168 -3.682428 4.499125 
1 1 1    2   40   26 o   23.957   1.9737   69.339   11.066   76.100   16.491   63.800   14.926   24.807   2.8681   22.696   2.8476 2.110767 4.041697 
1 1 1    2   40   27 o   35.881   2.6381  157.797   22.196  129.700   31.797  184.500   30.998   31.511   4.3927   38.322   3.4629 -6.811291 5.593503 
1 1 1    2   40   28 o   39.637   2.7008  193.172   25.127  173.500   35.740  212.400   35.334   36.535   4.2204   40.879   3.7006 -4.343304 5.613030 
1 1 1    2   40   29 o   14.351   2.5050   25.800   8.1801   0.0000   0.0000   25.800   8.1801  ?   ?    14.351   2.5050 0.000000 2.505039 
1 1 1    2   40   30 o   20.369   2.7188   51.800   12.751   0.0000   0.0000   51.800   12.751  ?   ?    20.369   2.7188 0.000000 2.718840 
1 1 1    2   40   31 o   33.741   3.4851  145.300   27.368   0.0000   0.0000  145.300   27.368  ?   ?    33.741   3.4851 0.000000 3.485111 
1 1 1    2   40   32 o   22.320   2.9564   63.000   15.199   0.0000   0.0000   63.000   15.199  ?   ?    22.320   2.9564 0.000000 2.956359 
1 1 1    2   40   33 o   18.058   2.8797   41.600   11.867   0.0000   0.0000   41.600   11.867  ?   ?    18.058   2.8797 0.000000 2.879676 
1 1 1    2   40   34 o   41.775   4.3856  240.600   42.616   0.0000   0.0000  240.600   42.616  ?   ?    41.775   4.3856 0.000000 4.385554 
1 1 1    2   40   35 o   15.195   2.9221   30.400   10.104   0.0000   0.0000   30.400   10.104  ?   ?    15.195   2.9221 0.000000 2.922060 
1 1 1    2   40   36 o   13.784   3.1389   25.900   9.9882   0.0000   0.0000   25.900   9.9882  ?   ?    13.784   3.1389 0.000000 3.138925 
1 1 1    2   40   37 o   16.400   2.8362   36.100   10.586   0.0000   0.0000   36.100   10.586  ?   ?    16.400   2.8362 0.000000 2.836207 
1 1 1    2   40   38 o   9.7226   2.8545   13.000   6.9834   0.0000   0.0000   13.000   6.9834  ?   ?    9.7226   2.8545 0.000000 2.854482 
1 1 1    2   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   41    0 o   21.027   2.8986   55.500   13.613   55.500   13.613   55.500   13.613   21.027   2.8986   21.027   2.8986 -0.000000 0.000000 
1 1 1    2   41    1 f   28.331   2.1389   96.179   14.204  105.000   19.998   87.200   20.177   29.431   2.9159   26.701   3.2684 2.729258 4.380055 
1 1 1    2   41    2 o   32.898   2.2846  129.750   17.638  130.000   24.956  129.500   24.930   32.671   3.2791   32.607   3.2825 0.6468201E-01 4.639698 
1 1 1    2   41    3 o   39.503   2.5438  187.451   23.603  208.900   33.418  166.100   33.341   41.425   3.4476   36.747   3.9020 4.677845 5.206895 
1 1 1    2   41    4 o   8.8223   1.8736   9.6048   3.7827   9.8000   5.2867   9.4000   5.4148   8.9141   2.4402   8.7578   2.4967 0.1562586 3.491164 
1 1 1    2   41    5 o   9.9289   1.9224   12.124   4.3444   15.500   5.9986   8.4000   6.3004   11.188   2.3455   8.4920   2.7512 2.696088 3.615315 
1 1 1    2   41    6 f   24.429   1.9672   71.497   11.252   72.900   15.928   70.100   15.897   24.489   2.8050   23.994   2.8623 0.4953194 4.007581 
1 1 1    2   41    7 o   30.824   2.1499  113.865   15.550  129.100   22.128   99.000   21.858   32.642   2.9010   28.433   3.3179 4.208822 4.407326 
1 1 1    2   41    8 o   11.040   1.8172   14.872   4.5726   8.2000   6.3624   22.000   6.5761   8.4281   2.7666   13.418   2.1479 -4.990198 3.502461 
1 1 1    2   41    9 o   68.010   3.9450  567.381   63.083  594.000   89.328  540.900   89.098   68.336   5.5845   64.950   5.8729 3.386620 8.104192 
1 1 1    2   41   10 o   18.654   1.7959   41.768   7.8126   39.300   10.979   44.300   11.120   17.907   2.6788   19.067   2.5323 -1.160835 3.686257 
1 1 1    2   41   11 o   9.9610   1.8675   12.191   4.2313   9.7000   5.8622   14.900   6.1135   8.9112   2.6150   10.947   2.4286 -2.035339 3.568840 
1 1 1    2   41   12 o   64.239   3.9282  507.313   59.300  549.300   83.506  464.600   84.224   65.696   5.4316   59.887   6.0383 5.809799 8.121760 
1 1 1    2   41   13 o   47.618   2.9354  274.428   32.846  266.500   46.387  282.400   46.515   46.288   4.2928   47.725   4.1693 -1.437492 5.984262 
1 1 1    2   41   14 o   36.768   2.5076  162.877   21.642  154.300   30.840  171.200   30.379   35.348   3.7522   37.361   3.4835 -2.013180 5.119931 
1 1 1    2   41   15 o   73.249   4.0032  661.744   68.981  773.200   98.069  552.600   97.046   77.901   5.3639   64.784   6.4287 13.11732 8.372568 
1 1 1    2   41   16 o   17.572   1.7755   37.128   7.2663   49.100   10.445   25.900   10.115   20.141   2.2338   14.371   3.0737 5.769659 3.799656 
1 1 1    2   41   17 o   42.734   2.9709  221.802   29.793  158.900   42.408  283.100   41.864   35.071   5.2849   47.936   3.7278 -12.86506 6.467343 
1 1 1    2   41   18 o   19.783   1.8909   47.087   8.7259   41.200   12.379   52.900   12.302   18.235   2.9776   20.829   2.5547 -2.594030 3.923316 
1 1 1    2   41   19 o   23.735   2.0070   67.759   11.143   64.700   16.059   70.600   15.475   22.917   3.0427   24.034   2.7779 -1.117359 4.120043 
1 1 1    2   41   20 o   37.085   2.6380  166.717   22.951  146.100   32.883  186.300   32.048   34.042   4.1784   38.825   3.5343 -4.783024 5.472666 
1 1 1    2   41   21 o   13.543   1.9938   22.398   6.1854   16.000   9.2862   27.500   8.2927   11.306   3.2837   14.930   2.4363 -3.623579 4.088826 
1 1 1    2   41   22 o   13.758   2.1439   23.230   6.7380   15.100   10.257   29.400   8.9365   11.095   3.5016   15.411   2.5444 -4.316417 4.328462 
1 1 1    2   41   23 o   57.738   3.3766  412.525   45.836  447.500   65.321  378.600   64.334   58.867   4.7393   53.730   5.1331 5.137115 6.986368 
1 1 1    2   41   24 o   12.287   1.9801   18.551   5.5500   10.500   8.3223   25.000   7.4480   9.4582   3.1665   14.228   2.2949 -4.769759 3.910658 
1 1 1    2   41   25 o   21.362   1.9923   55.304   9.9340   47.800   14.355   62.200   13.761   19.436   3.2420   22.457   2.6459 -3.020750 4.184659 
1 1 1    2   41   26 o   43.825   4.1821  247.900   42.754   0.0000   0.0000  247.900   42.754  ?   ?    43.825   4.1821 0.000000 4.182080 
1 1 1    2   41   27 o   17.825   2.6254   39.600   10.720   0.0000   0.0000   39.600   10.720  ?   ?    17.825   2.6254 0.000000 2.625383 
1 1 1    2   41   28 o   20.196   2.7315   50.900   12.693   0.0000   0.0000   50.900   12.693  ?   ?    20.196   2.7315 0.000000 2.731540 
1 1 1    2   41   29 o   16.253   3.0327   33.700   11.211   0.0000   0.0000   33.700   11.211  ?   ?    16.253   3.0327 0.000000 3.032733 
1 1 1    2   41   30 o   11.012   2.9857   15.600   7.9589   0.0000   0.0000   15.600   7.9589  ?   ?    11.012   2.9857 0.000000 2.985677 
1 1 1    2   41   31 o   8.2779   2.6851   8.3000   5.9999   0.0000   0.0000   8.3000   5.9999  ?   ?    8.2779   2.6851 0.000000 2.685081 
1 1 1    2   41   32 o   4.5260   2.0079  -1.3000   4.2760   0.0000   0.0000  -1.3000   4.2760  ?   ?    4.5260   2.0079 0.000000 2.007949 
1 1 1    2   41   33 o   10.627   2.6819   14.700   6.7300   0.0000   0.0000   14.700   6.7300  ?   ?    10.627   2.6819 0.000000 2.681886 
1 1 1    2   41   34 o   11.235   2.6484   16.600   6.9116   0.0000   0.0000   16.600   6.9116  ?   ?    11.235   2.6484 0.000000 2.648450 
1 1 1    2   41   35 o   15.894   2.9921   34.000   10.818   0.0000   0.0000   34.000   10.818  ?   ?    15.894   2.9921 0.000000 2.992125 
1 1 1    2   41   36 o   18.823   3.0656   48.300   13.157   0.0000   0.0000   48.300   13.157  ?   ?    18.823   3.0656 0.000000 3.065552 
1 1 1    2   41   37 o   20.230   3.1199   56.600   14.425   0.0000   0.0000   56.600   14.425  ?   ?    20.230   3.1199 0.000000 3.119887 
1 1 1    2   41   38 o   5.4941   2.3965   0.0000   5.8571   0.0000   0.0000   0.0000   5.8571  ?   ?    5.4941   2.3965 0.000000 2.396538 
1 1 1    2   41   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   42    0 o   37.624   3.6369  174.200   31.618  174.200   31.618  174.200   31.618   37.624   3.6369   37.624   3.6369 0.000000 0.000000 
1 1 1    2   42    1 o   5.9734   1.7954   4.2802   2.7374   1.5000   3.7368   7.5000   4.0214   5.1019   2.0431   7.8038   2.1250 -2.701852 2.947819 
1 1 1    2   42    2 o   21.459   1.8959   55.236   9.5082   60.000   13.466   50.500   13.427   22.222   2.6164   20.298   2.8823 1.924614 3.892707 
1 1 1    2   42    3 o   32.110   2.2702  123.784   17.103  114.800   24.166  132.800   24.208   30.600   3.4020   33.022   3.1424 -2.421616 4.631197 
1 1 1    2   42    4 o   36.275   2.3440  157.997   19.971  127.900   28.103  188.700   28.385   32.184   3.7693   39.432   3.0727 -7.247810 4.863081 
1 1 1    2   42    5 o   20.693   1.9094   51.415   9.2248   53.800   12.877   48.900   13.222   21.014   2.6542   19.961   2.8891 1.053013 3.923215 
1 1 1    2   42    6 o   12.223   1.8035   18.149   5.0490   17.900   7.1300   18.400   7.1509   11.994   2.5931   12.167   2.5696 -0.1729536 3.650594 
1 1 1    2   42    7 o   60.881   3.5792  452.477   51.230  422.500   72.361  482.600   72.538   57.655   5.3771   61.935   5.0026 -4.279823 7.344287 
1 1 1    2   42    8 o   61.825   3.6525  467.328   53.087  480.400   75.141  454.300   75.012   61.615   5.2134   59.787   5.3705 1.827885 7.484785 
1 1 1    2   42    9 o   54.629   3.3137  363.054   42.544  314.200   60.200  411.800   60.133   49.746   5.2017   57.522   4.4620 -7.775990 6.853279 
1 1 1    2   42   10 o   20.319   1.8911   49.593   8.9694   44.500   12.615   54.800   12.756   19.013   2.9016   21.216   2.6005 -2.203344 3.896436 
1 1 1    2   42   11 o   25.437   2.0172   77.652   12.017   77.300   17.034   78.000   16.956   25.159   2.9217   25.282   2.8923 -0.1235561 4.111123 
1 1 1    2   42   12 o   22.610   1.9359   61.378   10.236   66.300   14.510   56.500   14.444   23.336   2.6818   21.455   2.9274 1.881496 3.970113 
1 1 1    2   42   13 o   30.719   2.2364  113.438   16.111  121.500   22.662  105.200   22.908   31.552   3.0810   29.241   3.3799 2.311316 4.573464 
1 1 1    2   42   14 o   27.879   2.0884   93.342   13.648   95.800   19.334   90.900   19.269   28.010   2.9684   27.253   3.0463 0.7569866 4.253455 
1 1 1    2   42   15 o   28.187   2.1072   95.457   13.924   81.100   19.696  109.800   19.686   25.625   3.3338   30.049   2.8069 -4.423901 4.358089 
1 1 1    2   42   16 o   18.539   1.9215   41.425   8.2894   34.600   12.028   47.600   11.440   16.626   3.1795   19.755   2.5091 -3.128876 4.050308 
1 1 1    2   42   17 o   14.709   1.8055   26.168   6.1392   31.400   8.9925   21.600   8.4018   15.988   2.4608   13.135   2.7947 2.852794 3.723675 
1 1 1    2   42   18 o   44.918   2.4476  243.468   25.863  314.900   37.535  178.900   35.686   50.756   3.1473   37.755   4.0670 13.00113 5.142515 
1 1 1    2   42   19 o   13.471   1.7397   21.994   5.4045   29.300   7.9443   15.700   7.3738   15.469   2.2400   11.168   2.8010 4.300772 3.586563 
1 1 1    2   42   20 o   52.998   3.0860  344.144   38.453  381.300   55.317  309.400   53.491   54.875   4.3034   49.112   4.6686 5.763123 6.349420 
1 1 1    2   42   21 o   37.287   2.4721  168.748   21.643  176.600   30.915  161.200   30.310   37.635   3.5195   35.886   3.6267 1.749210 5.053695 
1 1 1    2   42   22 o   12.018   2.2564   17.944   6.1683   25.500   8.5148   9.6000   8.9478   14.289   2.6201   9.3068   3.2774 4.982427 4.195971 
1 1 1    2   42   23 f   21.386   1.9425   55.337   9.7024   49.200   13.881   61.200   13.567   19.798   3.0685   22.286   2.6287 -2.487835 4.040482 
1 1 1    2   42   24 o   10.714   2.5153   14.500   6.2549   0.0000   0.0000   14.500   6.2549  ?   ?    10.714   2.5153 0.000000 2.515313 
1 1 1    2   42   25 o   10.362   2.5544   13.600   6.2107   0.0000   0.0000   13.600   6.2107  ?   ?    10.362   2.5544 0.000000 2.554439 
1 1 1    2   42   26 o   38.655   3.8322  191.500   34.518   0.0000   0.0000  191.500   34.518  ?   ?    38.655   3.8322 0.000000 3.832154 
1 1 1    2   42   27 o   30.115   3.3017  114.500   23.094   0.0000   0.0000  114.500   23.094  ?   ?    30.115   3.3017 0.000000 3.301703 
1 1 1    2   42   28 o   35.887   3.6684  165.200   30.650   0.0000   0.0000  165.200   30.650  ?   ?    35.887   3.6684 0.000000 3.668402 
1 1 1    2   42   29 o   27.002   3.0858   92.100   19.322   0.0000   0.0000   92.100   19.322  ?   ?    27.002   3.0858 0.000000 3.085757 
1 1 1    2   42   30 o   19.954   2.8264   50.400   12.946   0.0000   0.0000   50.400   12.946  ?   ?    19.954   2.8264 0.000000 2.826425 
1 1 1    2   42   31 o   7.0873   2.2587   6.1000   4.2601   0.0000   0.0000   6.1000   4.2601  ?   ?    7.0873   2.2587 0.000000 2.258744 
1 1 1    2   42   32 o   13.275   2.6878   22.900   8.1368   0.0000   0.0000   22.900   8.1368  ?   ?    13.275   2.6878 0.000000 2.687820 
1 1 1    2   42   33 o   12.878   2.8124   22.000   8.3132   0.0000   0.0000   22.000   8.3132  ?   ?    12.878   2.8124 0.000000 2.812430 
1 1 1    2   42   34 o   12.524   2.7448   21.000   7.8931   0.0000   0.0000   21.000   7.8931  ?   ?    12.524   2.7448 0.000000 2.744805 
1 1 1    2   42   35 o   14.796   2.8115   29.500   9.4637   0.0000   0.0000   29.500   9.4637  ?   ?    14.796   2.8115 0.000000 2.811454 
1 1 1    2   42   36 o   13.202   2.7932   23.800   8.4358   0.0000   0.0000   23.800   8.4358  ?   ?    13.202   2.7932 0.000000 2.793204 
1 1 1    2   42   37 o   3.4350   1.6203  -3.5000   3.4234   0.0000   0.0000  -3.5000   3.4234  ?   ?    3.4350   1.6203 0.000000 1.620259 
1 1 1    2   42   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   43    0 o   17.813   2.8292   40.500   11.001   40.500   11.001   40.500   11.001   17.813   2.8292   17.813   2.8292 0.000000 0.000000 
1 1 1    2   43    1 o   22.889   1.7899   62.710   9.5976   83.700   13.774   42.900   13.381   26.376   2.2324   18.598   3.1598 7.777447 3.868903 
1 1 1    2   43    2 o   39.753   2.5801  190.353   24.089  187.300   34.082  193.400   34.052   39.009   3.7460   39.674   3.6765 -0.6645660 5.248688 
1 1 1    2   43    3 o   46.991   2.9077  267.036   32.106  273.400   45.456  260.700   45.354   46.990   4.1389   45.826   4.2392 1.163475 5.924640 
1 1 1    2   43    4 o   7.0858   2.0281   6.1290   3.5657   9.0000   5.5412   4.1000   4.6584   8.5985   2.5477   6.4660   2.3540 2.132580 3.468724 
1 1 1    2   43    5 o   31.433   2.1993  118.615   16.222  102.300   22.848  135.200   23.036   28.835   3.4223   33.357   2.9551 -4.522211 4.521621 
1 1 1    2   43    6 o   36.710   2.4601  162.223   21.203  157.900   30.065  166.500   29.906   35.828   3.6025   36.848   3.4782 -1.020149 5.007541 
1 1 1    2   43    7 o   56.912   3.3946  394.826   45.412  351.600   64.205  438.100   64.241   52.569   5.2421   59.177   4.6342 -6.608189 6.996839 
1 1 1    2   43    8 f   24.463   1.9460   71.770   11.148   64.100   15.636   79.700   15.899   22.869   2.9652   25.621   2.6670 -2.751308 3.988151 
1 1 1    2   43    9 o   75.314   4.3186  703.789   76.484  645.300  108.016  762.600  108.313   69.879   6.6252   76.688   6.0299 -6.809425 8.958385 
1 1 1    2   43   10 o   34.749   2.3742  145.326   19.365  163.200   27.366  127.400   27.406   36.560   3.2022   32.093   3.6831 4.466274 4.880483 
1 1 1    2   43   11 o   60.854   3.6171  453.968   51.744  448.900   72.950  459.100   73.406   59.318   5.2627   60.018   5.2318 -0.6998062 7.420727 
1 1 1    2   43   12 o   19.915   1.8395   47.645   8.5527   52.800   12.102   42.500   12.089   20.827   2.5113   18.570   2.8478 2.257465 3.796913 
1 1 1    2   43   13 o   23.896   1.9481   68.575   10.897   78.300   15.512   59.100   15.311   25.379   2.6264   21.897   3.0434 3.482298 4.020011 
1 1 1    2   43   14 o   47.842   2.9515  278.175   33.181  291.400   46.969  265.000   46.880   48.307   4.1581   45.919   4.3764 2.388329 6.036777 
1 1 1    2   43   15 o   36.695   2.4513  162.650   21.119  156.000   29.866  169.300   29.866   35.469   3.6165   37.038   3.4547 -1.569431 5.001398 
1 1 1    2   43   16 o   38.819   2.5441  182.465   23.192  168.700   32.757  196.300   32.839   36.746   3.8315   39.823   3.5287 -3.077759 5.208820 
1 1 1    2   43   17 o   12.340   1.7678   18.531   5.0040   15.100   7.0080   22.100   7.1476   10.958   2.7208   13.368   2.3500 -2.410344 3.595235 
1 1 1    2   43   18 o   33.545   2.0890  135.499   16.465  171.400   23.906  103.100   22.710   37.501   2.7181   28.762   3.4102 8.738306 4.360919 
1 1 1    2   43   19 o   24.522   2.0610   72.658   11.824   69.000   16.980   76.100   16.473   23.547   3.1315   24.847   2.8598 -1.300442 4.240892 
1 1 1    2   43   20 o   20.461   2.7019   51.700   12.735   0.0000   0.0000   51.700   12.735  ?   ?    20.461   2.7019 0.000000 2.701904 
1 1 1    2   43   21 o   3.0892   1.4745  -4.0000   3.0040   0.0000   0.0000  -4.0000   3.0040  ?   ?    3.0892   1.4745 0.000000 1.474501 
1 1 1    2   43   22 o   36.423   3.6174  167.600   30.701   0.0000   0.0000  167.600   30.701  ?   ?    36.423   3.6174 0.000000 3.617424 
1 1 1    2   43   23 o   24.875   3.0474   77.400   17.525   0.0000   0.0000   77.400   17.525  ?   ?    24.875   3.0474 0.000000 3.047368 
1 1 1    2   43   24 o   10.091   2.5794   12.900   6.1700   0.0000   0.0000   12.900   6.1700  ?   ?    10.091   2.5794 0.000000 2.579448 
1 1 1    2   43   25 f   44.863   4.3720  263.300   45.727   0.0000   0.0000  263.300   45.727  ?   ?    44.863   4.3720 0.000000 4.371951 
1 1 1    2   43   26 o   22.844   3.0639   65.800   16.111   0.0000   0.0000   65.800   16.111  ?   ?    22.844   3.0639 0.000000 3.063858 
1 1 1    2   43   27 o   10.623   2.6343   14.400   6.5757   0.0000   0.0000   14.400   6.5757  ?   ?    10.623   2.6343 0.000000 2.634292 
1 1 1    2   43   28 o   7.8976   2.5683   7.5000   5.4881   0.0000   0.0000   7.5000   5.4881  ?   ?    7.8976   2.5683 0.000000 2.568349 
1 1 1    2   43   29 o   8.8558   2.9117   9.6000   7.0466   0.0000   0.0000   9.6000   7.0466  ?   ?    8.8558   2.9117 0.000000 2.911734 
1 1 1    2   43   30 o   4.0235   1.9211  -6.5000   5.1077   0.0000   0.0000  -6.5000   5.1077  ?   ?    4.0235   1.9211 0.000000 1.921064 
1 1 1    2   43   31 o   5.2930   2.3796  -2.3000   6.2187   0.0000   0.0000  -2.3000   6.2187  ?   ?    5.2930   2.3796 0.000000 2.379642 
1 1 1    2   43   32 o   24.312   3.2261   79.400   18.064   0.0000   0.0000   79.400   18.064  ?   ?    24.312   3.2261 0.000000 3.226080 
1 1 1    2   43   33 o   45.987   5.5156  353.700   58.700   0.0000   0.0000  353.700   58.700  ?   ?    45.987   5.5156 0.000000 5.515621 
1 1 1    2   43   34 o   25.266   3.3525   88.900   19.508   0.0000   0.0000   88.900   19.508  ?   ?    25.266   3.3525 0.000000 3.352510 
1 1 1    2   43   35 o   10.562   3.1619   15.800   8.5023   0.0000   0.0000   15.800   8.5023  ?   ?    10.562   3.1619 0.000000 3.161865 
1 1 1    2   43   36 o   22.779   3.3268   73.200   17.367   0.0000   0.0000   73.200   17.367  ?   ?    22.779   3.3268 0.000000 3.326777 
1 1 1    2   43   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   44    0 o   10.379   3.0384   15.700   6.4679   15.700   6.4679   15.700   6.4679   10.379   3.0384   10.379   3.0384 -0.000000 0.000000 
1 1 1    2   44    1 o   23.624   1.9493   66.979   10.777   49.700   15.210   84.400   15.273   19.985   3.3410   26.418   2.4772 -6.433052 4.159152 
1 1 1    2   44    2 o   46.735   2.8473  264.198   31.273  229.400   44.131  299.300   44.323   42.812   4.4294   49.285   3.8387 -6.473240 5.861309 
1 1 1    2   44    3 o   19.673   1.8554   46.505   8.5178   55.100   12.008   37.800   12.084   21.308   2.4300   17.448   3.0437 3.860094 3.894743 
1 1 1    2   44    4 o   45.756   2.8631  253.397   30.780  272.900   43.533  233.900   43.525   46.978   3.9612   43.286   4.3158 3.691593 5.858090 
1 1 1    2   44    5 o   27.078   2.0689   88.030   13.128   95.000   18.593   81.100   18.539   27.932   2.8592   25.710   3.1175 2.221838 4.230111 
1 1 1    2   44    6 o   27.644   2.0940   91.772   13.568   88.100   19.246   95.400   19.130   26.815   3.0963   27.965   2.9409 -1.149700 4.270372 
1 1 1    2   44    7 o   11.386   1.9648   15.891   5.0917   12.100   7.2403   19.600   7.1617   9.9180   2.9050   12.567   2.5013 -2.649189 3.833453 
1 1 1    2   44    8 o   23.806   1.9742   68.075   10.998   75.800   15.579   60.400   15.528   24.957   2.6858   22.147   3.0501 2.810591 4.064082 
1 1 1    2   44    9 o   39.747   2.5571  190.708   23.873  168.200   33.693  213.400   33.831   36.763   3.9428   41.682   3.4686 -4.919048 5.251366 
1 1 1    2   44   10 o   64.885   3.8393  520.043   58.563  514.600   82.764  525.500   82.876   62.990   5.6234   63.716   5.5641 -0.7258835 7.910899 
1 1 1    2   44   11 o   6.2772   1.8648   4.7636   2.9657   1.4000   4.3056   7.8000   4.0908   5.3548   2.1758   7.9386   2.1356 -2.583794 3.048703 
1 1 1    2   44   12 o   55.884   3.3905  383.474   44.530  372.000   63.040  394.900   62.910   53.835   5.0167   55.632   4.8370 -1.796398 6.968803 
1 1 1    2   44   13 o   34.782   2.3262  145.999   18.996  170.500   26.919  121.700   26.809   37.306   3.0835   31.217   3.7094 6.088812 4.823654 
1 1 1    2   44   14 o   43.438   2.5585  228.538   26.127  165.000   36.774  293.300   37.127   35.977   4.4218   48.872   3.2355 -12.89500 5.479135 
1 1 1    2   44   15 o   25.756   2.0437   79.990   12.328   72.700   17.422   87.300   17.446   24.211   3.1200   26.676   2.8120 -2.464663 4.200153 
1 1 1    2   44   16 o   16.755   1.7727   33.900   6.9071   27.400   9.7312   40.500   9.8056   14.766   2.8944   18.194   2.3363 -3.428585 3.719692 
1 1 1    2   44   17 o   20.846   1.9044   52.452   9.2708   49.400   13.225   55.400   12.999   19.943   2.8928   21.219   2.6524 -1.275850 3.924738 
1 1 1    2   44   18 o   25.622   2.0869   79.426   12.516   78.700   17.427   80.200   17.988   25.191   2.9878   25.404   3.0602 -0.2130146 4.276901 
1 1 1    2   44   19 o   17.251   1.8470   36.063   7.4071   45.100   10.935   28.400   10.069   19.136   2.4780   14.982   2.9511 4.153852 3.853522 
1 1 1    2   44   20 o   5.6414   2.0355   3.2274   3.4720   1.5000   4.3935   6.1000   5.6658   5.4096   2.1979   7.4565   2.6091 -2.046916 3.411528 
1 1 1    2   44   21 f   40.639   3.9801  211.700   37.704   0.0000   0.0000  211.700   37.704  ?   ?    40.639   3.9801 0.000000 3.980110 
1 1 1    2   44   22 o   29.060   3.2974  106.300   22.227   0.0000   0.0000  106.300   22.227  ?   ?    29.060   3.2974 0.000000 3.297362 
1 1 1    2   44   23 o   15.099   2.8027   28.800   9.6246   0.0000   0.0000   28.800   9.6246  ?   ?    15.099   2.8027 0.000000 2.802682 
1 1 1    2   44   24 o   35.398   3.7103  160.400   30.552   0.0000   0.0000  160.400   30.552  ?   ?    35.398   3.7103 0.000000 3.710252 
1 1 1    2   44   25 o   15.495   3.0028   30.700   10.590   0.0000   0.0000   30.700   10.590  ?   ?    15.495   3.0028 0.000000 3.002820 
1 1 1    2   44   26 o   30.580   3.3354  119.100   23.694   0.0000   0.0000  119.100   23.694  ?   ?    30.580   3.3354 0.000000 3.335440 
1 1 1    2   44   27 o   18.978   3.0064   46.100   13.023   0.0000   0.0000   46.100   13.023  ?   ?    18.978   3.0064 0.000000 3.006372 
1 1 1    2   44   28 o   14.033   2.9748   25.700   9.5514   0.0000   0.0000   25.700   9.5514  ?   ?    14.033   2.9748 0.000000 2.974840 
1 1 1    2   44   29 o   26.055   3.1977   88.900   19.261   0.0000   0.0000   88.900   19.261  ?   ?    26.055   3.1977 0.000000 3.197737 
1 1 1    2   44   30 o   20.219   2.9692   53.700   13.754   0.0000   0.0000   53.700   13.754  ?   ?    20.219   2.9692 0.000000 2.969213 
1 1 1    2   44   31 o   8.7040   2.8452   9.8000   6.7319   0.0000   0.0000   9.8000   6.7319  ?   ?    8.7040   2.8452 0.000000 2.845227 
1 1 1    2   44   32 o   21.318   3.0178   61.200   14.767   0.0000   0.0000   61.200   14.767  ?   ?    21.318   3.0178 0.000000 3.017775 
1 1 1    2   44   33 o   9.8704   2.9692   13.400   7.4844   0.0000   0.0000   13.400   7.4844  ?   ?    9.8704   2.9692 0.000000 2.969248 
1 1 1    2   44   34 o   7.1551   2.5293   6.2000   5.3339   0.0000   0.0000   6.2000   5.3339  ?   ?    7.1551   2.5293 0.000000 2.529275 
1 1 1    2   44   35 f   4.4698   1.9502  -0.3000   3.8806   0.0000   0.0000  -0.3000   3.8806  ?   ?    4.4698   1.9502 0.000000 1.950206 
1 1 1    2   45    0 o   50.498   4.5229  316.800   52.938  316.800   52.938  316.800   52.938   50.498   4.5229   50.498   4.5229 0.000000 0.000000 
1 1 1    2   45    1 o   34.503   2.3663  143.455   19.163  145.600   27.069  141.300   27.132   34.408   3.3750   33.865   3.4406 0.5427818 4.819551 
1 1 1    2   45    2 o   24.740   2.0120   73.576   11.652   71.800   16.600   75.300   16.360   24.186   2.9688   24.815   2.8432 -0.6283932 4.110664 
1 1 1    2   45    3 o   68.095   3.9848  574.537   63.795  627.500   90.316  521.800   90.123   69.688   5.5339   62.895   6.1467 6.792919 8.270827 
1 1 1    2   45    4 o   31.100   2.2318  116.449   16.281  115.700   23.005  117.200   23.045   30.682   3.2233   30.889   3.2061 -0.2063217 4.546325 
1 1 1    2   45    5 o   37.966   2.5104  174.133   22.379  153.100   31.636  195.200   31.661   35.033   3.8899   39.842   3.3978 -4.809013 5.164903 
1 1 1    2   45    6 o   37.654   2.4504  171.182   21.669  151.500   30.553  191.100   30.736   34.888   3.7685   39.434   3.3320 -4.546295 5.030261 
1 1 1    2   45    7 o   28.938   2.1876  100.905   14.838  108.400   20.840   93.200   21.131   29.740   3.0089   27.441   3.3292 2.298941 4.487403 
1 1 1    2   45    8 o   21.436   1.8906   55.283   9.4716   51.700   13.364   58.900   13.426   20.483   2.8393   21.943   2.6445 -1.459759 3.880041 
1 1 1    2   45    9 o   2.0825   0.9790  -1.3299   1.2309   0.3000   1.3327 -10.8000   3.2123   2.9172   1.2007   2.3654   1.1951 0.5517783 1.694096 
1 1 1    2   45   10 o   31.491   2.3349  119.878   17.239  134.200   24.151  105.000   24.615   33.031   3.1339   28.960   3.6828 4.071815 4.835719 
1 1 1    2   45   11 o   28.969   2.0716  101.078   14.077  119.300   20.061   83.400   19.759   31.261   2.7454   25.895   3.3069 5.365915 4.298007 
1 1 1    2   45   12 o   12.468   2.0145   19.079   5.7289   25.800   9.4709   15.200   7.1944   14.324   2.8996   10.984   2.7734 3.340236 4.012350 
1 1 1    2   45   13 o   17.430   2.0797   36.942   8.3906   34.200   12.341   39.300   11.442   16.421   3.2971   17.782   2.8191 -1.360353 4.338001 
1 1 1    2   45   14 o   36.647   2.5567  163.354   21.986  154.000   31.269  172.500   30.920   34.939   3.8541   37.163   3.5673 -2.223995 5.251709 
1 1 1    2   45   15 o   26.431   2.0609   84.425   12.761   73.700   17.864   95.600   18.236   24.293   3.1914   27.873   2.8089 -3.580296 4.251507 
1 1 1    2   45   16 o   30.954   2.2199  116.118   16.118   95.400   22.696  137.200   22.895   27.472   3.5840   33.350   2.9372 -5.878021 4.633820 
1 1 1    2   45   17 o   27.904   2.1957   94.480   14.351   80.700   20.354  108.100   20.236   25.249   3.5086   29.557   2.9383 -4.307617 4.576499 
1 1 1    2   45   18 f   44.377   2.8607  242.435   29.818  238.200   42.095  246.700   42.243   42.997   4.1996   43.821   4.1311 -0.8237152 5.890950 
1 1 1    2   45   19 f   3.9159   1.6845  -0.1984   2.8128   5.6000   3.4209 -12.3000   4.9421   6.7670   2.0010   3.2729   1.6283 3.494046 2.579827 
1 1 1    2   45   20 o   33.697   2.4399  138.698   19.283  113.400   27.379  163.600   27.164   29.618   4.0185   36.183   3.2126 -6.565525 5.144832 
1 1 1    2   45   21 o   33.876   2.4054  140.128   19.116  147.300   26.982  132.900   27.088   34.197   3.3859   32.332   3.6096 1.864521 4.949050 
1 1 1    2   45   22 o   44.975   4.3784  265.300   45.911   0.0000   0.0000  265.300   45.911  ?   ?    44.975   4.3784 0.000000 4.378427 
1 1 1    2   45   23 o   10.012   2.9062   12.700   7.2754   0.0000   0.0000   12.700   7.2754  ?   ?    10.012   2.9062 0.000000 2.906161 
1 1 1    2   45   24 o   34.211   3.6547  150.700   29.067   0.0000   0.0000  150.700   29.067  ?   ?    34.211   3.6547 0.000000 3.654716 
1 1 1    2   45   25 o   23.608   3.1382   71.200   17.061   0.0000   0.0000   71.200   17.061  ?   ?    23.608   3.1382 0.000000 3.138206 
1 1 1    2   45   26 o   16.385   3.0182   34.800   11.248   0.0000   0.0000   34.800   11.248  ?   ?    16.385   3.0182 0.000000 3.018213 
1 1 1    2   45   27 o   11.393   2.7737   17.000   7.3920   0.0000   0.0000   17.000   7.3920  ?   ?    11.393   2.7737 0.000000 2.773685 
1 1 1    2   45   28 f   7.3437   2.4693   6.5000   5.0611   0.0000   0.0000   6.5000   5.0611  ?   ?    7.3437   2.4693 0.000000 2.469266 
1 1 1    2   45   29 o   30.440   3.5889  127.400   25.301   0.0000   0.0000  127.400   25.301  ?   ?    30.440   3.5889 0.000000 3.588910 
1 1 1    2   45   30 o   12.226   3.2193   20.800   9.4222   0.0000   0.0000   20.800   9.4222  ?   ?    12.226   3.2193 0.000000 3.219256 
1 1 1    2   45   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   45   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   45   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   45   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46    0 o   28.354   3.1591   99.900   20.479   99.900   20.479   99.900   20.479   28.354   3.1591   28.354   3.1591 -0.000000 0.000000 
1 1 1    2   46    1 o   32.881   2.2023  130.286   17.001  102.900   23.908  158.300   24.180   28.704   3.6068   36.016   2.8669 -7.311617 4.607414 
1 1 1    2   46    2 o   33.352   2.3289  134.361   18.226  120.000   25.785  148.700   25.766   31.033   3.5847   34.770   3.1732 -3.737373 4.787379 
1 1 1    2   46    3 o   19.004   1.8024   43.487   7.9917   49.800   11.407   37.400   11.200   20.195   2.4415   17.356   2.8304 2.839184 3.737963 
1 1 1    2   46    4 o   24.684   2.0316   73.441   11.737   83.800   16.526   62.900   16.671   26.180   2.7126   22.473   3.2347 3.707056 4.221590 
1 1 1    2   46    5 o   37.206   2.5411  167.877   22.192  176.100   31.148  159.400   31.625   37.652   3.5450   35.670   3.8136 1.981564 5.206849 
1 1 1    2   46    6 o   44.897   2.9106  246.095   30.692  230.400   43.538  261.600   43.273   42.557   4.3958   45.603   4.0610 -3.046425 5.984530 
1 1 1    2   46    7 o   16.472   2.0289   32.978   7.7250   34.100   11.320   32.000   10.568   16.490   3.0184   15.993   2.9054 0.4961662 4.189502 
1 1 1    2   46    8 o   23.915   2.1844   69.250   12.199   41.200   17.546   95.500   16.974   17.773   4.2401   27.984   2.5983 -10.21123 4.972851 
1 1 1    2   46    9 o   56.445   3.2825  392.576   43.562  481.000   62.228  307.600   61.003   61.594   4.3055   48.210   5.4546 13.38474 6.949100 
1 1 1    2   46   10 o   20.958   2.0015   53.122   9.7850   52.800   14.384   53.400   13.350   20.581   3.0523   20.788   2.7900 -0.2068520 4.135319 
1 1 1    2   46   11 o   32.290   2.3246  126.429   17.606  134.000   24.851  118.800   24.946   32.849   3.2462   30.795   3.4923 2.054441 4.768020 
1 1 1    2   46   12 f   61.986   3.8344  483.378   55.849  444.800   79.115  521.700   78.851   57.061   5.9595   62.585   5.3880 -5.524368 8.034059 
1 1 1    2   46   13 o   31.248   2.2974  118.533   16.834  123.000   23.853  114.100   23.760   31.409   3.2637   30.177   3.3931 1.232140 4.707981 
1 1 1    2   46   14 f   29.443   3.2159  108.200   21.995   0.0000   0.0000  108.200   21.995  ?   ?    29.443   3.2159 0.000000 3.215886 
1 1 1    2   46   15 f   10.143   2.6910   13.000   6.5516   0.0000   0.0000   13.000   6.5516  ?   ?    10.143   2.6910 0.000000 2.691031 
1 1 1    2   46   16 o   33.431   3.5257  141.000   27.413   0.0000   0.0000  141.000   27.413  ?   ?    33.431   3.5257 0.000000 3.525736 
1 1 1    2   46   17 o   29.874   3.2620  111.900   22.637   0.0000   0.0000  111.900   22.637  ?   ?    29.874   3.2620 0.000000 3.262007 
1 1 1    2   46   18 o   15.727   3.0100   31.400   10.771   0.0000   0.0000   31.400   10.771  ?   ?    15.727   3.0100 0.000000 3.010016 
1 1 1    2   46   19 o   37.608   3.8085  180.900   33.355   0.0000   0.0000  180.900   33.355  ?   ?    37.608   3.8085 0.000000 3.808518 
1 1 1    2   46   20 o   12.214   2.7408   19.000   7.7110   0.0000   0.0000   19.000   7.7110  ?   ?    12.214   2.7408 0.000000 2.740843 
1 1 1    2   46   21 o   36.124   3.7527  167.700   31.544   0.0000   0.0000  167.700   31.544  ?   ?    36.124   3.7527 0.000000 3.752678 
1 1 1    2   46   22 o   31.362   3.5004  126.100   25.481   0.0000   0.0000  126.100   25.481  ?   ?    31.362   3.5004 0.000000 3.500441 
1 1 1    2   46   23 o   36.000   3.7884  169.300   31.722   0.0000   0.0000  169.300   31.722  ?   ?    36.000   3.7884 0.000000 3.788444 
1 1 1    2   46   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   46   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   47   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   48   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   49   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   50   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   51   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   53   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   54   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   55    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   55    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    2   55    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    2 o   45.157   2.7932  243.555   29.523  243.555   29.523  243.555   29.523   45.157   2.7932   45.157   2.7932 0.000000 0.000000 
1 1 1    3    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    4 o   53.906   3.0743  346.513   38.842  346.513   38.842  346.513   38.842   53.906   3.0743   53.906   3.0743 0.000000 0.000000 
1 1 1    3    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    6 o   29.686   2.1068  105.631   14.598  105.631   14.598  105.631   14.598   29.686   2.1068   29.686   2.1068 0.000000 0.000000 
1 1 1    3    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0    8 o  230.977   17.939  6511.10  964.856  6511.10  964.856  6511.10  964.856  230.977   17.939  230.977   17.939 0.000000 0.000000 
1 1 1    3    0    9 o   73.066   4.0566  636.653   69.498  636.653   69.498  636.653   69.498   73.066   4.0566   73.066   4.0566 0.000000 0.000000 
1 1 1    3    0   10 o  178.173   13.799  3845.40  572.545  3845.40  572.545  3845.40  572.545  178.173   13.799  178.173   13.799 0.000000 0.000000 
1 1 1    3    0   11 o  125.738   6.7271  1885.41  198.430  1885.41  198.430  1885.41  198.430  125.738   6.7271  125.738   6.7271 0.000000 0.000000 
1 1 1    3    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   13 o  274.742   21.221  9158.00  1357.85  9158.00  1357.85  9158.00  1357.85  274.742   21.221  274.742   21.221 0.000000 0.000000 
1 1 1    3    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   16 o  239.347   12.903  6850.83  724.441  6850.83  724.441  6850.83  724.441  239.347   12.903  239.347   12.903 0.000000 0.000000 
1 1 1    3    0   17 o  347.091   27.035 14764.60  2184.85 14764.60  2184.85 14764.60  2184.85  347.091   27.035  347.091   27.035 -0.000000 0.000000 
1 1 1    3    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   20 o  125.155   6.7795  1869.50  199.015  1869.50  199.015  1869.50  199.015  125.155   6.7795  125.155   6.7795 0.000000 0.000000 
1 1 1    3    0   21 o  233.872   11.863  6556.98  651.269  6556.98  651.269  6556.98  651.269  233.872   11.863  233.872   11.863 -0.000000 0.000000 
1 1 1    3    0   22 o   33.479   2.2084  134.099   17.284  134.099   17.284  134.099   17.284   33.479   2.2084   33.479   2.2084 -0.000000 0.000000 
1 1 1    3    0   23 o   99.330   5.4272  1177.71  126.428  1177.71  126.428  1177.71  126.428   99.330   5.4272   99.330   5.4272 0.000000 0.000000 
1 1 1    3    0   24 o   9.5196   1.9263   11.926   3.8349   11.926   3.8349   11.926   3.8349   9.5196   1.9263   9.5196   1.9263 -0.000000 0.000000 
1 1 1    3    0   25 o   77.785   4.3747  722.263   79.772  722.263   79.772  722.263   79.772   77.785   4.3747   77.785   4.3747 -0.000000 0.000000 
1 1 1    3    0   26 o  166.974   8.9456  3343.27  350.400  3343.27  350.400  3343.27  350.400  166.974   8.9456  166.974   8.9456 -0.000000 0.000000 
1 1 1    3    0   27 o   92.633   5.1409  1024.94  111.660  1024.94  111.660  1024.94  111.660   92.633   5.1409   92.633   5.1409 -0.000000 0.000000 
1 1 1    3    0   28 o   50.341   3.0532  302.776   35.988  302.776   35.988  302.776   35.988   50.341   3.0532   50.341   3.0532 0.000000 0.000000 
1 1 1    3    0   29 o  126.315   6.8674  1910.29  203.454  1910.29  203.454  1910.29  203.454  126.315   6.8674  126.315   6.8674 -0.000000 0.000000 
1 1 1    3    0   30 o  145.966   8.0644  2559.24  276.024  2559.24  276.024  2559.24  276.024  145.966   8.0644  145.966   8.0644 0.000000 0.000000 
1 1 1    3    0   31 o   83.262   4.5665  828.417   89.166  828.417   89.166  828.417   89.166   83.262   4.5665   83.262   4.5665 -0.000000 0.000000 
1 1 1    3    0   32 o   69.616   3.9786  579.461   64.914  579.461   64.914  579.461   64.914   69.616   3.9786   69.616   3.9786 0.000000 0.000000 
1 1 1    3    0   33 o  117.900   6.3815  1670.95  176.474  1670.95  176.474  1670.95  176.474  117.900   6.3815  117.900   6.3815 0.000000 0.000000 
1 1 1    3    0   34 o   10.075   1.8158   13.100   3.9029   13.100   3.9029   13.100   3.9029   10.075   1.8158   10.075   1.8158 -0.000000 0.000000 
1 1 1    3    0   35 o  148.266   8.0041  2677.81  278.364  2677.81  278.364  2677.81  278.364  148.266   8.0041  148.266   8.0041 0.000000 0.000000 
1 1 1    3    0   36 o  100.486   5.5769  1219.11  131.399  1219.11  131.399  1219.11  131.399  100.486   5.5769  100.486   5.5769 0.000000 0.000000 
1 1 1    3    0   37 o   68.192   3.9702  559.045   63.434  559.045   63.434  559.045   63.434   68.192   3.9702   68.192   3.9702 0.000000 0.000000 
1 1 1    3    0   38 o   40.994   2.6358  201.660   25.273  201.660   25.273  201.660   25.273   40.994   2.6358   40.994   2.6358 0.000000 0.000000 
1 1 1    3    0   39 o   42.328   2.7012  215.113   26.746  215.113   26.746  215.113   26.746   42.328   2.7012   42.328   2.7012 0.000000 0.000000 
1 1 1    3    0   40 o   72.139   4.1717  628.469   70.519  628.469   70.519  628.469   70.519   72.139   4.1717   72.139   4.1717 0.000000 0.000000 
1 1 1    3    0   41 o   0.6996   0.5164  -2.0527   0.6415  -2.0527   0.6415  -2.0527   0.6415   0.6996   0.5164   0.6996   0.5164 0.000000 0.000000 
1 1 1    3    0   42 o   54.809   3.2997  362.649   42.351  362.649   42.351  362.649   42.351   54.809   3.2997   54.809   3.2997 -0.000000 0.000000 
1 1 1    3    0   43 f   60.344   3.5975  441.830   50.845  441.830   50.845  441.830   50.845   60.344   3.5975   60.344   3.5975 -0.000000 0.000000 
1 1 1    3    0   44 o   31.816   2.2083  122.135   16.407  122.135   16.407  122.135   16.407   31.816   2.2083   31.816   2.2083 -0.000000 0.000000 
1 1 1    3    0   45 o   35.433   2.4068  151.818   19.924  151.818   19.924  151.818   19.924   35.433   2.4068   35.433   2.4068 0.000000 0.000000 
1 1 1    3    0   46 o   19.627   1.8009   46.905   8.1852   46.905   8.1852   46.905   8.1852   19.627   1.8009   19.627   1.8009 0.000000 0.000000 
1 1 1    3    0   47 o   1.8438   1.0703   0.4866   0.7635   0.4866   0.7635   0.4866   0.7635   1.8438   1.0703   1.8438   1.0703 0.000000 0.000000 
1 1 1    3    0   48 o   8.3221   2.2975   9.9092   3.9046   9.9092   3.9046   9.9092   3.9046   8.3221   2.2975   8.3221   2.2975 -0.000000 0.000000 
1 1 1    3    0   49 o   30.773   2.1136  114.737   15.192  114.737   15.192  114.737   15.192   30.773   2.1136   30.773   2.1136 0.000000 0.000000 
1 1 1    3    0   50 o   14.286   1.8450   25.520   5.9383   25.520   5.9383   25.520   5.9383   14.286   1.8450   14.286   1.8450 0.000000 0.000000 
1 1 1    3    0   51 o   7.4857   2.4729   8.5897   3.8844   8.5897   3.8844   8.5897   3.8844   7.4857   2.4729   7.4857   2.4729 0.000000 0.000000 
1 1 1    3    0   52 o   3.6998   2.3362   0.8000   4.3496   0.8000   4.3496   0.8000   4.3496   3.6998   2.3362   3.6998   2.3362 0.000000 0.000000 
1 1 1    3    0   53 o   4.8101   2.8277   3.4000   5.4410   3.4000   5.4410   3.4000   5.4410   4.8101   2.8277   4.8101   2.8277 0.000000 0.000000 
1 1 1    3    0   54 o   34.355   3.6327  153.100   28.716  153.100   28.716  153.100   28.716   34.355   3.6327   34.355   3.6327 -0.000000 0.000000 
1 1 1    3    0   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    0   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1    0 o   60.330   5.0295  438.900   70.505  438.900   70.505  438.900   70.505   60.330   5.0295   60.330   5.0295 0.000000 0.000000 
1 1 1    3    1    1 o  145.782   7.8238  2524.16  268.346  2673.70  379.425  2374.50  379.573  149.661   10.809  140.884   11.510 8.776871 15.78989 
1 1 1    3    1    2 o  119.410   6.4588  1691.94  181.442  1767.30  256.525  1616.50  256.671  121.770   8.9847  116.373   9.4212 5.397301 13.01861 
1 1 1    3    1    3 o  128.112   9.7980  1958.60  294.159  1958.60  294.159   0.0000   0.0000  128.112   9.7980  ?   ?  0.000000 9.797987 
1 1 1    3    1    4 o  147.445   11.240  2599.40  388.406  2599.40  388.406   0.0000   0.0000  147.445   11.240  ?   ?  0.000000 11.24032 
1 1 1    3    1    5 o   71.366   4.0011  603.803   67.155  609.000   94.943  598.600   95.000   71.526   5.6677   70.903   5.7229 0.6231842 8.054415 
1 1 1    3    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1    7 o   26.480   2.8408   83.800   17.486   83.800   17.486   0.0000   0.0000   26.480   2.8408  ?   ?  0.000000 2.840806 
1 1 1    3    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   10 o  124.841   6.7570  1852.70  198.451  1981.00  280.595  1724.30  280.709  128.727   9.2935  119.927   10.004 8.799789 13.65441 
1 1 1    3    1   11 o  236.160   18.088  6762.50  1001.01  6762.50  1001.01   0.0000   0.0000  236.160   18.088  ?   ?  0.000000 18.08776 
1 1 1    3    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   13 o  168.256   8.9484  3363.85  354.252  3405.60  500.978  3322.10  500.999  168.768   12.663  166.646   12.830 2.121017 18.02691 
1 1 1    3    1   14 o  153.988   8.2030  2816.05  297.203  2811.90  420.266  2820.20  420.352  153.416   11.689  153.646   11.673 -0.2301941 16.51942 
1 1 1    3    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   16 o  106.914   5.7280  1355.70  144.085  1422.40  203.836  1289.10  203.699  109.297   7.9524  103.972   8.3676 5.325020 11.54372 
1 1 1    3    1   17 o  165.636   8.6772  3261.74  338.207  3516.60  478.444  3007.20  478.149  171.500   11.888  158.343   12.900 13.15674 17.54218 
1 1 1    3    1   18 o  449.863   36.641 26108.80  3858.49 26108.80  3858.49   0.0000   0.0000  449.863   36.641  ?   ?  0.000000 36.64072 
1 1 1    3    1   19 o  311.198   16.815 11720.92  1231.06 12081.40  1740.35 11359.90  1741.63  312.203   23.786  302.181   24.622 10.02225 34.23439 
1 1 1    3    1   20 o  225.853   12.039  6120.38  639.754  6267.00  904.823  5973.80  904.674  226.766   17.022  221.190   17.463 5.576447 24.38618 
1 1 1    3    1   21 o  245.828   13.114  7289.88  758.504  7076.60  1072.38  7503.40  1072.99  239.358   19.133  246.834   18.544 -7.475952 26.64534 
1 1 1    3    1   22 o  209.314   11.216  5270.70  552.330  5182.80  781.108  5358.60  781.118  205.492   16.229  209.105   15.939 -3.613312 22.74780 
1 1 1    3    1   23 o  100.624   5.4791  1204.06  129.697  1253.10  183.411  1155.00  183.428  102.320   7.6463   98.148   7.9836 4.171394 11.05463 
1 1 1    3    1   24 o  126.203   6.7784  1899.43  201.264  1860.60  284.539  1938.30  284.721  124.236   9.7781  126.872   9.5742 -2.635933 13.68493 
1 1 1    3    1   25 o  167.740   9.0152  3377.25  355.777  3397.90  503.082  3356.60  503.206  166.856   12.868  165.797   12.956 1.058716 18.26022 
1 1 1    3    1   26 o   28.533   2.0634   96.700   13.809   94.600   19.528   98.800   19.528   28.126   2.9860   28.759   2.9160 -0.6326065 4.173604 
1 1 1    3    1   27 o  155.265   7.9712  2887.57  291.269  2431.60  411.655  3344.70  412.178  140.950   12.498  166.265   10.553 -25.31520 16.35732 
1 1 1    3    1   28 o  217.667   10.690  5724.27  549.438  4648.10  776.293  6804.50  777.755  192.001   17.308  234.994   14.081 -42.99255 22.31252 
1 1 1    3    1   29 o   38.636   2.3402  177.107   21.249  131.700   30.004  222.800   30.099   33.114   3.9128   43.297   2.9617 -10.18327 4.907308 
1 1 1    3    1   30 o  166.500   9.0296  3350.93  353.685  3323.20  500.421  3378.60  499.951  163.767   13.049  165.211   12.918 -1.443954 18.36142 
1 1 1    3    1   31 o   84.889   4.6304  858.846   92.468  812.900  130.692  904.900  130.846   82.132   6.7998   86.773   6.4316 -4.641029 9.359631 
1 1 1    3    1   32 o  104.962   5.6367  1319.99  139.195  1208.90  196.754  1431.30  196.949   99.526   8.4518  108.630   7.7284 -9.103523 11.45256 
1 1 1    3    1   33 o   50.621   3.0108  304.896   35.828  290.600   50.661  319.200   50.675   49.196   4.4076   51.617   4.1939 -2.420692 6.084032 
1 1 1    3    1   34 o   75.557   4.2600  683.364   75.696  705.200  107.014  661.500  107.085   76.258   5.9910   73.773   6.2047 2.485619 8.625032 
1 1 1    3    1   35 o  126.806   7.0258  1972.24  209.554  1968.90  296.143  1975.60  296.566  124.191   10.188  124.406   10.185 -0.2156067 14.40560 
1 1 1    3    1   36 o   73.988   4.2000  658.315   73.077  697.800  103.328  618.800  103.366   75.554   5.8368   70.954   6.2325 4.599922 8.538896 
1 1 1    3    1   37 o   46.396   2.8177  257.180   30.724  246.400   43.410  268.000   43.492   45.107   4.1210   47.105   3.9464 -1.997608 5.705861 
1 1 1    3    1   38 o   62.352   3.6187  467.558   53.051  478.200   74.998  456.900   75.052   62.494   5.1273   61.021   5.2600 1.473038 7.345556 
1 1 1    3    1   39 o   43.777   2.7222  229.349   28.001  233.800   39.604  224.900   39.594   43.908   3.8588   43.034   3.9401 0.8743477 5.514969 
1 1 1    3    1   40 o   47.411   2.8968  269.702   32.275  273.700   45.634  265.700   45.653   47.381   4.1197   46.654   4.1886 0.7270355 5.875099 
1 1 1    3    1   41 o   72.522   4.1680  641.693   71.078  685.300  100.527  598.100  100.511   73.853   5.8114   68.631   6.2713 5.221550 8.549915 
1 1 1    3    1   42 o   57.965   3.4261  408.146   46.687  444.700   66.030  371.600   66.022   59.781   4.7158   54.312   5.2119 5.469337 7.028665 
1 1 1    3    1   43 o   25.491   1.9730   77.971   11.784   82.900   16.714   73.100   16.616   26.098   2.7537   24.438   2.9383 1.659790 4.026964 
1 1 1    3    1   44 o   31.534   2.1643  119.683   16.018  137.400   22.729  102.200   22.578   33.555   2.8970   28.724   3.3944 4.831160 4.462522 
1 1 1    3    1   45 o   9.5039   1.6806   11.086   3.6337   13.500   5.3374   9.0000   4.9609   10.406   2.2386   8.5185   2.3763 1.887082 3.264728 
1 1 1    3    1   46 o   25.049   1.9456   75.631   11.418   87.600   16.194   63.800   16.101   26.765   2.5948   22.632   3.0937 4.133175 4.037830 
1 1 1    3    1   47 o   10.788   1.7173   14.246   4.2282   12.900   6.0888   15.500   5.8760   10.119   2.5493   11.135   2.3105 -1.015657 3.440524 
1 1 1    3    1   48 o   25.788   1.9953   80.414   12.056   86.000   17.104   74.900   16.995   26.388   2.7871   24.523   2.9971 1.864317 4.092784 
1 1 1    3    1   49 o   13.830   1.6924   23.265   5.4116   25.900   7.7833   20.800   7.5293   14.417   2.3685   12.830   2.5747 1.587295 3.498456 
1 1 1    3    1   50 o   36.740   2.0770  164.308   17.945  234.000   25.612   97.100   25.151   43.581   2.4992   27.063   4.0611 16.51754 4.768483 
1 1 1    3    1   51 o   24.057   1.9316   70.690   10.880   79.800   15.438   61.700   15.337   25.224   2.6306   21.933   3.0431 3.290655 4.022500 
1 1 1    3    1   52 o   28.027   3.1749  101.700   20.641  101.700   20.641   0.0000   0.0000   28.027   3.1749  ?   ?  0.000000 3.174854 
1 1 1    3    1   53 o   13.839   2.6294   24.700   8.2784   24.700   8.2784   0.0000   0.0000   13.839   2.6294  ?   ?  0.000000 2.629396 
1 1 1    3    1   54 o   8.7103   2.5280   9.8000   5.5056   9.8000   5.5056   0.0000   0.0000   8.7103   2.5280  ?   ?  0.000000 2.528025 
1 1 1    3    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2    0 o   34.999   3.3924  148.700   27.432  148.700   27.432  148.700   27.432   34.999   3.3924   34.999   3.3924 -0.000000 0.000000 
1 1 1    3    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2    3 o   94.858   5.1745  1067.05  115.468  1171.10  163.293  963.000  163.299   99.217   7.0150   89.835   7.7747 9.382599 10.47164 
1 1 1    3    2    4 o   80.870   4.4790  775.410   85.199  784.000  120.420  766.800  120.559   81.149   6.3344   80.239   6.4165 0.9100647 9.016422 
1 1 1    3    2    5 o  162.590   8.8209  3145.82  337.396  3247.20  476.407  3043.80  477.896  164.590   12.348  159.229   12.819 5.361023 17.79851 
1 1 1    3    2    6 o   70.966   3.9935  597.211   66.650  631.500   94.243  562.900   94.273   72.844   5.5199   68.711   5.8665 4.132988 8.055182 
1 1 1    3    2    7 o   66.206   3.7338  519.833   58.135  514.900   82.074  524.800   82.358   65.737   5.3333   66.374   5.2988 -0.6368637 7.518043 
1 1 1    3    2    8 o   99.857   5.4664  1184.43  128.406  1255.00  181.551  1113.80  181.637  102.525   7.5522   96.477   8.0464 6.048325 11.03540 
1 1 1    3    2    9 o   94.093   5.1318  1051.15  113.592  1057.10  160.667  1045.20  160.621   94.096   7.2878   93.556   7.3292 0.5399704 10.33581 
1 1 1    3    2   10 o  234.136   18.032  6682.30  989.274  6682.30  989.274   0.0000   0.0000  234.136   18.032  ?   ?  0.000000 18.03187 
1 1 1    3    2   11 o  157.243   8.3990  2940.42  310.732  2956.20  439.193  2924.60  439.690  157.096   11.928  156.234   12.010 0.8616486 16.92720 
1 1 1    3    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   14 o  326.791   25.228 13041.00  1931.71 13041.00  1931.71   0.0000   0.0000  326.791   25.228  ?   ?  0.000000 25.22818 
1 1 1    3    2   15 o  244.051   13.020  7108.99  747.641  7240.00  1056.76  6977.70  1057.89  244.993   18.401  240.383   18.786 4.609711 26.29682 
1 1 1    3    2   16 o  274.270   14.687  9004.98  947.748  9100.80  1338.02  8908.50  1342.63  273.845   20.848  270.811   21.164 3.034149 29.70780 
1 1 1    3    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   18 o  421.941   34.032 22744.60  3361.92 22744.60  3361.92   0.0000   0.0000  421.941   34.032  ?   ?  0.000000 34.03168 
1 1 1    3    2   19 o  109.992   5.9419  1436.60  153.755  1430.00  217.421  1443.20  217.465  109.415   8.4814  109.928   8.4420 -0.5132065 11.96673 
1 1 1    3    2   20 o  429.218   36.007 24515.80  3615.71 24515.80  3615.71   0.0000   0.0000  429.218   36.007  ?   ?  0.000000 36.00680 
1 1 1    3    2   21 o  115.926   6.2655  1598.26  170.876  1654.90  241.633  1541.60  241.677  117.569   8.7667  113.387   9.1030 4.181686 12.63803 
1 1 1    3    2   22 f   98.875   5.4145  1162.08  125.936  1185.50  177.983  1138.60  178.218   99.543   7.6300   97.513   7.8052 2.030907 10.91502 
1 1 1    3    2   23 o   99.210   5.4053  1170.35  126.151  1176.60  178.366  1164.10  178.445   99.121   7.6805   98.582   7.7275 0.5393677 10.89509 
1 1 1    3    2   24 o   81.945   4.5203  797.793   87.131  787.100  123.179  808.500  123.264   81.125   6.4844   82.241   6.3976 -1.116364 9.109135 
1 1 1    3    2   25 o   42.911   2.6562  218.498   26.783  200.600   37.875  236.400   37.879   40.974   3.9640   44.549   3.6324 -3.574764 5.376584 
1 1 1    3    2   26 o  239.640   12.486  6987.35  704.102  6219.90  995.137  7756.70  996.366  221.632   19.205  249.417   17.019 -27.78499 25.66043 
1 1 1    3    2   27 f  107.658   5.6167  1380.25  142.292  1152.90  201.098  1608.20  201.363   97.725   8.8091  115.885   7.3972 -18.15915 11.50296 
1 1 1    3    2   28 o  277.093   15.967  9565.18  1040.33  8420.10  1472.84 10705.30  1469.65  250.407   25.253  286.797   21.866 -36.38976 33.40414 
1 1 1    3    2   29 o   57.377   3.1803  390.763   42.920  326.600   60.633  455.200   60.762   52.216   4.9777   61.830   4.1864 -9.613705 6.504127 
1 1 1    3    2   30 o   54.172   3.0257  348.379   38.550  293.500   54.458  403.500   54.578   49.495   4.7165   58.204   3.9953 -8.708614 6.181238 
1 1 1    3    2   31 o   28.607   2.0662   97.249   13.863   93.400   19.604  101.100   19.608   27.925   3.0211   29.082   2.8937 -1.157282 4.183325 
1 1 1    3    2   32 o   55.597   3.2380  367.644   42.326  357.700   59.840  377.600   59.876   54.618   4.6851   56.150   4.5552 -1.532177 6.534519 
1 1 1    3    2   33 o  102.703   5.5990  1267.45  135.273  1170.90  191.256  1364.10  191.354   97.652   8.3752  105.748   7.7164 -8.095688 11.38799 
1 1 1    3    2   34 o   32.499   2.2155  125.644   16.901  119.500   23.890  131.800   23.913   31.550   3.2533   33.176   3.0880 -1.625698 4.485518 
1 1 1    3    2   35 f   77.370   4.3597  718.861   79.327  670.100  112.198  767.600  112.173   73.938   6.4919   79.362   6.0308 -5.424454 8.860901 
1 1 1    3    2   36 o   82.659   4.6313  824.394   90.033  878.200  127.333  770.600  127.319   84.498   6.4299   78.882   6.9047 5.616127 9.434976 
1 1 1    3    2   37 o  104.151   5.8297  1330.05  142.799  1372.60  201.950  1287.50  201.947  103.871   8.3029  100.316   8.6086 3.555023 11.96021 
1 1 1    3    2   38 f   14.084   1.6214   23.801   5.2939   26.600   7.5547   21.100   7.4205   14.804   2.2303   13.108   2.4885 1.696697 3.341649 
1 1 1    3    2   39 o   23.277   1.8834   64.688   10.263   67.300   14.549   62.100   14.480   23.620   2.6546   22.656   2.7638 0.9635582 3.832181 
1 1 1    3    2   40 o   29.075   2.0820  100.971   14.200  110.100   20.114   91.900   20.050   30.222   2.8522   27.524   3.1411 2.698235 4.242855 
1 1 1    3    2   41 o   72.460   4.1519  640.577   70.745  697.200  100.069  584.000  100.028   74.542   5.7289   67.756   6.3251 6.786797 8.533841 
1 1 1    3    2   42 o   47.929   2.9406  277.351   33.121  277.000   46.903  277.700   46.777   47.344   4.2403   47.413   4.2222 -0.6899643E-01 5.983951 
1 1 1    3    2   43 o   20.561   1.8111   50.736   8.7036   55.800   12.326   45.700   12.292   21.426   2.4822   19.288   2.7790 2.137346 3.726140 
1 1 1    3    2   44 o   26.623   2.0139   85.234   12.567   91.000   17.798   79.500   17.749   27.290   2.8016   25.420   3.0156 1.869764 4.116189 
1 1 1    3    2   45 o   13.858   1.5915   23.177   5.1136   34.300   7.2894   12.400   7.1753   16.838   1.8646   9.9804   2.8830 6.857789 3.433392 
1 1 1    3    2   46 o   7.7348   1.8644   7.4447   3.3652   2.0000   4.9568   12.100   4.5834   5.8428   2.3484   9.8672   2.0347 -4.024380 3.107227 
1 1 1    3    2   47 f   19.481   1.7713   45.767   8.0590   51.900   11.476   39.800   11.320   20.583   2.4066   17.879   2.7709 2.703566 3.670051 
1 1 1    3    2   48 o   9.2282   1.7288   10.513   3.6287   10.100   5.2198   10.900   5.0481   8.9746   2.4115   9.3139   2.3072 -0.3393183 3.337443 
1 1 1    3    2   49 f   31.419   2.0431  119.727   15.076  153.200   21.475   87.200   21.169   35.280   2.5959   26.103   3.5245 9.177624 4.377339 
1 1 1    3    2   50 o   9.6038   1.7239   11.419   3.7659   18.300   5.3783   4.8000   5.2747   12.163   1.9376   6.8458   2.5029 5.316874 3.165298 
1 1 1    3    2   51 o   14.189   1.6484   24.568   5.4200   33.900   7.8580   16.100   7.4856   16.565   2.0529   11.130   2.8391 5.435061 3.503536 
1 1 1    3    2   52 o   23.488   2.9137   70.700   15.813   70.700   15.813   0.0000   0.0000   23.488   2.9137  ?   ?  0.000000 2.913715 
1 1 1    3    2   53 o   29.944   3.3236  117.600   23.104  117.600   23.104   0.0000   0.0000   29.944   3.3236  ?   ?  0.000000 3.323588 
1 1 1    3    2   54 o   9.7333   2.6028   12.400   6.0982   12.400   6.0982   0.0000   0.0000   9.7333   2.6028  ?   ?  0.000000 2.602787 
1 1 1    3    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3    0 o  229.077   17.704  6354.80  944.511  6354.80  944.511  6354.80  944.511  229.077   17.704  229.077   17.704 0.000000 0.000000 
1 1 1    3    3    1 o  229.407   17.498  6347.50  940.759  6347.50  940.759   0.0000   0.0000  229.407   17.498  ?   ?  0.000000 17.49837 
1 1 1    3    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3    3 o  202.307   15.429  4924.50  731.513  4924.50  731.513   0.0000   0.0000  202.307   15.429  ?   ?  0.000000 15.42896 
1 1 1    3    3    4 o  186.486   14.273  4180.60  623.746  4180.60  623.746   0.0000   0.0000  186.486   14.273  ?   ?  0.000000 14.27282 
1 1 1    3    3    5 o  126.715   6.8099  1907.31  203.017  1914.50  286.978  1900.10  287.240  126.567   9.6754  126.079   9.7231 0.4871292 13.71688 
1 1 1    3    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3    7 o  264.471   20.623  8645.60  1277.77  8645.60  1277.77   0.0000   0.0000  264.471   20.623  ?   ?  0.000000 20.62334 
1 1 1    3    3    8 f   26.057   1.8859   80.612   11.525   94.500   16.322   66.800   16.276   28.173   2.4786   23.587   2.9893 4.586094 3.883241 
1 1 1    3    3    9 o  101.099   5.6279  1214.12  133.822  1288.60  188.973  1139.20  189.536  103.890   7.7590   97.563   8.3061 6.327034 11.36634 
1 1 1    3    3   10 o  124.185   6.8280  1832.74  199.457  1906.10  281.517  1758.80  282.637  126.275   9.5109  121.195   9.9643 5.080635 13.77479 
1 1 1    3    3   11 o  250.961   19.207  7637.00  1129.60  7637.00  1129.60   0.0000   0.0000  250.961   19.207  ?   ?  0.000000 19.20736 
1 1 1    3    3   12 o   82.346   4.5223  803.787   87.599  782.500  123.847  825.100  123.920   81.067   6.5249   83.276   6.3496 -2.208694 9.104494 
1 1 1    3    3   13 o  347.617   26.787 14798.00  2181.86 14798.00  2181.86   0.0000   0.0000  347.617   26.787  ?   ?  0.000000 26.78701 
1 1 1    3    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   15 o  385.123   30.121 18375.90  2717.39 18375.90  2717.39   0.0000   0.0000  385.123   30.121  ?   ?  0.000000 30.12053 
1 1 1    3    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   18 o   63.301   3.5919  475.042   53.470  503.500   75.629  446.600   75.607   65.060   4.9602   61.218   5.2820 3.842079 7.245853 
1 1 1    3    3   19 o  133.788   7.1574  2128.19  225.298  2235.40  318.642  2021.00  318.598  136.692   9.9399  129.838   10.481 6.854187 14.44469 
1 1 1    3    3   20 o  188.984   10.096  4270.02  448.910  4408.10  634.820  4131.90  634.889  190.883   14.185  184.614   14.685 6.269272 20.41742 
1 1 1    3    3   21 o   56.105   3.2480  373.342   42.847  364.200   60.568  382.500   60.621   55.274   4.6846   56.668   4.5691 -1.393993 6.543841 
1 1 1    3    3   22 o  245.055   13.327  7275.31  768.286  7628.40  1086.12  6921.70  1086.92  247.958   18.687  235.484   19.728 12.47342 27.17390 
1 1 1    3    3   23 o   84.549   4.6229  849.107   91.946  828.000  129.898  870.300  130.165   83.216   6.6665   85.352   6.5073 -2.136765 9.315959 
1 1 1    3    3   24 o  129.734   6.9524  2008.11  212.211  1950.50  300.015  2065.80  300.210  127.126   10.077  130.931   9.7806 -3.805267 14.04284 
1 1 1    3    3   25 o  184.914   9.7429  4113.50  423.919  3794.90  599.228  4432.70  599.797  175.574   14.585  190.417   13.425 -14.84320 19.82367 
1 1 1    3    3   26 o   76.547   4.1216  695.929   74.226  620.700  104.887  771.400  105.056   71.990   6.2315   80.416   5.5667 -8.426140 8.355780 
1 1 1    3    3   27 f   27.745   1.9820   91.418   12.899   75.500   18.224  107.400   18.261   25.068   3.1481   30.029   2.6010 -4.960638 4.083557 
1 1 1    3    3   28 o   57.886   3.4153  397.946   46.476  386.700   66.012  409.000   65.446   56.871   4.9653   58.526   4.7772 -1.655087 6.890274 
1 1 1    3    3   29 o   75.812   4.2500  683.469   75.776  666.300  107.223  700.600  107.103   74.559   6.1449   76.497   5.9767 -1.937866 8.572066 
1 1 1    3    3   30 o  171.237   8.9341  3543.37  360.000  3079.00  508.826  4008.80  509.408  157.063   13.862  180.524   12.019 -23.46130 18.34645 
1 1 1    3    3   31 o   85.342   4.6852  868.368   94.056  809.700  132.979  927.100  133.051   81.919   6.9396   87.814   6.4618 -5.895027 9.482279 
1 1 1    3    3   32 o   55.103   3.2042  361.128   41.513  320.800   58.692  401.500   58.724   51.666   4.8682   57.947   4.3227 -6.281345 6.510418 
1 1 1    3    3   33 o   48.386   2.9117  278.548   33.113  272.300   46.823  284.800   46.835   47.640   4.2054   48.747   4.1070 -1.106705 5.878147 
1 1 1    3    3   34 o   6.3888   1.5205   5.0208   2.2606   7.0000   3.3149   3.3000   3.0909   7.5437   1.8702   5.5730   1.9284 1.970726 2.686347 
1 1 1    3    3   35 o   76.921   4.2895  710.317   77.604  650.500  109.718  770.200  109.779   72.844   6.4451   79.541   5.8865 -6.697128 8.728702 
1 1 1    3    3   36 o   15.781   1.6504   29.796   6.0593   34.200   8.6233   25.500   8.5161   16.838   2.2231   14.437   2.5934 2.401463 3.415859 
1 1 1    3    3   37 o   44.011   2.7234  231.348   28.165  234.300   39.841  228.400   39.820   44.039   3.8705   43.463   3.9222 0.5756721 5.510350 
1 1 1    3    3   38 o   37.998   2.4465  172.390   21.835  178.000   30.908  166.800   30.851   38.409   3.4444   37.144   3.5611 1.265446 4.954301 
1 1 1    3    3   39 o   37.887   2.4544  171.545   21.840  174.700   30.911  168.400   30.863   38.006   3.4831   37.292   3.5475 0.7137375 4.971556 
1 1 1    3    3   40 o   18.294   1.7459   40.053   7.4505   39.400   10.563   40.700   10.510   18.004   2.5564   18.316   2.4950 -0.3118000 3.572183 
1 1 1    3    3   41 o   29.039   2.0681  100.818   14.089  107.400   19.973   94.300   19.877   29.810   2.8729   27.868   3.0715 1.942360 4.205695 
1 1 1    3    3   42 o   33.046   2.2610  130.992   17.538  134.900   24.829  127.100   24.776   33.282   3.1986   32.266   3.2982 1.016167 4.594454 
1 1 1    3    3   43 o   10.440   1.6415   13.272   3.9133   15.400   5.5714   11.200   5.4979   11.160   2.1924   9.4846   2.4406 1.675188 3.280742 
1 1 1    3    3   44 o   31.216   2.1993  117.393   16.107  122.200   22.795  112.600   22.763   31.548   3.0999   30.218   3.2406 1.329550 4.484570 
1 1 1    3    3   45 o   27.659   2.0594   92.222   13.354   99.700   18.921   84.800   18.851   28.506   2.8491   26.172   3.1111 2.333523 4.218565 
1 1 1    3    3   46 o   21.409   1.8372   55.234   9.1977   64.300   13.019   46.200   12.996   22.944   2.4405   19.249   2.9535 3.695324 3.831334 
1 1 1    3    3   47 o   23.884   1.9310   68.850   10.797   79.200   15.270   58.500   15.270   25.421   2.5796   21.637   3.0753 3.783928 4.013896 
1 1 1    3    3   48 o   16.456   1.6744   32.714   6.4161   42.400   9.1641   23.400   8.9860   18.643   2.1193   13.577   2.8914 5.065898 3.584896 
1 1 1    3    3   49 o   11.628   1.7919   16.608   4.7621   15.800   6.5744   17.500   6.9071   11.156   2.5511   11.748   2.5621 -0.5915041 3.615594 
1 1 1    3    3   50 o   18.403   1.8197   41.224   7.8042   43.900   10.988   38.500   11.086   18.739   2.5493   17.436   2.7864 1.302614 3.776662 
1 1 1    3    3   51 o   6.2342   2.1803   4.3000   3.9562   4.3000   3.9562   0.0000   0.0000   6.2342   2.1803  ?   ?  0.000000 2.180329 
1 1 1    3    3   52 o   18.526   2.7073   43.800   11.494   43.800   11.494   0.0000   0.0000   18.526   2.7073  ?   ?  0.000000 2.707324 
1 1 1    3    3   53 o   17.240   2.7152   38.200   10.688   38.200   10.688   0.0000   0.0000   17.240   2.7152  ?   ?  0.000000 2.715158 
1 1 1    3    3   54 o   12.637   2.6599   20.900   7.6863   20.900   7.6863   0.0000   0.0000   12.637   2.6599  ?   ?  0.000000 2.659917 
1 1 1    3    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4    0 o  170.041   13.137  3490.60  520.254  3490.60  520.254  3490.60  520.254  170.041   13.137  170.041   13.137 0.000000 0.000000 
1 1 1    3    4    1 o  209.953   16.067  5309.80  790.502  5309.80  790.502   0.0000   0.0000  209.953   16.067  ?   ?  0.000000 16.06673 
1 1 1    3    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4    3 o   65.636   3.2008  508.970   49.610  644.000   70.377  375.600   69.943   73.705   4.0593   56.099   5.3445 17.60578 6.711253 
1 1 1    3    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4    6 o  210.632   11.250  5314.64  557.522  5289.60  787.578  5339.80  789.335  208.569   16.116  209.579   16.072 -1.009903 22.76063 
1 1 1    3    4    7 o   79.198   4.3908  744.292   81.794  741.900  115.491  746.700  115.858   78.868   6.2526   79.124   6.2518 -0.2560501 8.841952 
1 1 1    3    4    8 o   73.227   4.0966  636.152   70.553  637.500   99.719  634.800   99.836   73.127   5.8231   72.969   5.8432 0.1585159 8.249289 
1 1 1    3    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   11 o  169.320   9.1279  3409.72  363.610  3496.70  513.420  3322.20  515.028  170.878   12.817  166.462   13.211 4.415634 18.40699 
1 1 1    3    4   12 o  242.610   13.346  7026.46  761.620  7805.30  1076.02  6244.50  1078.17  254.633   18.012  226.993   20.330 27.63974 27.16120 
1 1 1    3    4   13 o  165.296   8.7846  3246.03  341.653  3302.00  483.234  3190.10  483.107  166.215   12.401  163.322   12.625 2.893539 17.69669 
1 1 1    3    4   14 o  153.137   8.1510  2785.14  293.690  2686.80  415.309  2883.50  415.371  149.910   11.828  155.400   11.399 -5.489929 16.42692 
1 1 1    3    4   15 o  381.635   29.859 18042.60  2669.38 18042.60  2669.38   0.0000   0.0000  381.635   29.859  ?   ?  0.000000 29.85904 
1 1 1    3    4   16 o  372.385   29.184 17206.70  2545.73 17206.70  2545.73   0.0000   0.0000  372.385   29.184  ?   ?  0.000000 29.18430 
1 1 1    3    4   17 o  240.895   12.762  6937.00  723.379  7201.40  1023.20  6672.80  1022.83  244.031   17.881  234.624   18.614 9.407455 25.81117 
1 1 1    3    4   18 o  306.976   16.370 11368.86  1182.33 11825.70  1672.60 10912.60  1671.54  309.922   23.019  297.110   24.031 12.81192 33.27729 
1 1 1    3    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   20 o  323.808   17.506 12791.71  1333.59 12951.40  1886.22 12632.10  1885.74  320.458   25.128  316.189   25.472 4.268555 35.78068 
1 1 1    3    4   21 o  124.979   6.7146  1859.24  197.437  1888.20  279.285  1830.30  279.150  125.451   9.4982  123.470   9.6513 1.981339 13.54117 
1 1 1    3    4   22 o  206.526   10.618  5124.68  516.088  4567.10  729.161  5684.40  730.558  192.730   16.171  216.003   14.406 -23.27342 21.65715 
1 1 1    3    4   23 o  125.079   6.7528  1864.71  198.709  1882.60  280.916  1846.80  281.117  125.088   9.5833  123.861   9.6887 1.227127 13.62758 
1 1 1    3    4   24 o  149.712   7.8629  2679.82  276.997  2369.30  391.588  2990.80  391.879  139.570   11.998  157.400   10.605 -17.82999 16.01344 
1 1 1    3    4   25 o   89.997   4.9080  963.073  103.908  917.100  146.905  1009.10  146.990   87.461   7.1764   91.834   6.8272 -4.372849 9.905096 
1 1 1    3    4   26 o  145.682   7.4653  2537.58  255.951  2173.00  361.688  2903.30  362.250  133.580   11.581  155.124   9.9417 -21.54309 15.26298 
1 1 1    3    4   27 o  117.032   6.0343  1632.62  166.194  1379.70  234.857  1886.30  235.212  106.807   9.4080  125.390   7.9855 -18.58327 12.34012 
1 1 1    3    4   28 o  117.683   6.4113  1654.00  177.492  1536.60  251.064  1771.30  250.958  112.635   9.5289  121.192   8.8300 -8.556732 12.99111 
1 1 1    3    4   29 o   65.045   3.6946  502.691   56.513  417.200   79.917  588.200   79.925   58.936   5.8184   70.229   4.8492 -11.29311 7.574255 
1 1 1    3    4   30 o   88.502   4.8129  933.187  100.204  845.200  141.659  1021.30  141.761   83.727   7.2361   92.256   6.5499 -8.528435 9.760254 
1 1 1    3    4   31 o   69.602   3.7361  576.153   61.180  468.000   86.442  684.700   86.600   62.334   5.9448   75.713   4.8696 -13.37885 7.684665 
1 1 1    3    4   32 o  104.772   5.7368  1316.85  141.392  1307.60  199.952  1326.10  199.965  103.540   8.2465  104.299   8.1849 -0.7586288 11.61880 
1 1 1    3    4   33 o   44.477   2.7143  235.287   28.372  222.400   40.103  248.200   40.144   43.051   3.9902   45.537   3.7672 -2.485435 5.487571 
1 1 1    3    4   34 o   14.372   1.6431   24.748   5.4763   27.100   7.7487   22.400   7.7406   14.960   2.2644   13.533   2.5149 1.426913 3.384095 
1 1 1    3    4   35 o  114.404   6.3358  1596.95  170.494  1605.50  241.147  1588.40  241.084  112.783   9.1332  112.137   9.1851 0.6453934 12.95300 
1 1 1    3    4   36 o   57.160   3.3322  390.941   44.781  421.600   63.339  360.300   63.320   59.027   4.5801   54.417   4.9831 4.610271 6.768154 
1 1 1    3    4   37 o   45.279   2.7732  244.939   29.509  249.300   41.784  240.600   41.680   45.416   3.9350   44.594   4.0007 0.8225136 5.611585 
1 1 1    3    4   38 o   40.953   2.5919  200.401   24.935  195.700   35.266  205.100   35.261   40.205   3.7582   41.192   3.6634 -0.9869194 5.248283 
1 1 1    3    4   39 o   52.944   3.1519  336.551   39.227  333.100   55.479  340.000   55.471   52.207   4.5456   52.768   4.4946 -0.5613022 6.392491 
1 1 1    3    4   40 o   22.958   1.8458   62.956   9.9219   68.900   14.084   57.100   13.980   23.908   2.5334   21.688   2.7948 2.220444 3.772107 
1 1 1    3    4   41 o   54.362   3.1859  356.497   40.718  383.200   57.640  329.900   57.527   55.837   4.4074   51.609   4.7746 4.228710 6.497844 
1 1 1    3    4   42 f   15.201   1.6089   27.745   5.6875   33.400   8.1204   22.300   7.9685   16.605   2.1193   13.419   2.6087 3.185448 3.361070 
1 1 1    3    4   43 f   43.085   2.6890  224.426   27.222  237.200   38.533  211.700   38.461   43.820   3.7603   41.263   3.9974 2.556667 5.488078 
1 1 1    3    4   44 o   14.429   1.5935   25.080   5.3390   32.900   7.6360   17.600   7.4678   16.469   2.0049   11.839   2.7275 4.629982 3.385115 
1 1 1    3    4   45 o   19.278   1.7365   44.720   7.8202   55.700   11.100   33.900   11.019   21.414   2.2279   16.455   2.9440 4.959047 3.691921 
1 1 1    3    4   46 o   12.299   1.6754   18.383   4.7391   20.500   6.8145   16.400   6.5950   12.850   2.3317   11.428   2.5123 1.421406 3.427599 
1 1 1    3    4   47 f   16.915   1.7747   34.600   6.9831   34.500   9.8621   34.700   9.8892   16.676   2.5884   16.725   2.5875 -0.4937553E-01 3.659935 
1 1 1    3    4   48 o   6.1926   1.7823   4.7000   2.7468   4.7000   3.5121   4.7000   4.4078   6.3370   2.0542   6.5800   2.3014 -0.2430162 3.084820 
1 1 1    3    4   49 o   27.414   2.0491   91.307   13.169  109.200   18.646   73.500   18.601   29.704   2.6874   24.001   3.3754 5.703676 4.314542 
1 1 1    3    4   50 o   5.5723   1.7796   3.6745   2.6433   7.1000   3.8773   0.7000   3.6131   7.5333   2.1006   4.7154   1.9621 2.817941 2.874467 
1 1 1    3    4   51 o   8.0866   1.9876   8.2641   3.7685   9.9000   5.1020   6.3000   5.5904   8.8132   2.3909   7.4360   2.5923 1.377243 3.526528 
1 1 1    3    4   52 o   7.2439   2.2283   6.5000   4.1832   6.5000   4.1832   0.0000   0.0000   7.2439   2.2283  ?   ?  0.000000 2.228282 
1 1 1    3    4   53 o   9.1465   2.4713   10.800   5.4640   10.800   5.4640   0.0000   0.0000   9.1465   2.4713  ?   ?  0.000000 2.471312 
1 1 1    3    4   54 o   13.425   2.5695   23.400   7.8485   23.400   7.8485   0.0000   0.0000   13.425   2.5695  ?   ?  0.000000 2.569461 
1 1 1    3    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    4   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5    0 f   30.699   3.1588  114.800   22.343  114.800   22.343  114.800   22.343   30.699   3.1588   30.699   3.1588 0.000000 0.000000 
1 1 1    3    5    1 o  146.577   7.7684  2553.54  267.921  2675.70  379.146  2431.70  378.650  149.601   10.805  142.485   11.348 7.116119 15.66959 
1 1 1    3    5    2 o  223.624   12.106  5979.00  636.880  5674.40  901.726  6282.20  899.645  216.260   17.816  227.936   16.834 -11.67593 24.51110 
1 1 1    3    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5    5 o  235.581   12.581  6666.54  697.360  6361.90  986.122  6971.30  986.310  227.876   18.485  238.999   17.600 -11.12279 25.52419 
1 1 1    3    5    6 o  128.990   7.0027  1979.85  212.496  2042.80  300.153  1916.60  300.877  130.550   9.8082  126.359   10.170 4.191246 14.12893 
1 1 1    3    5    7 o  271.333   21.264  9139.00  1351.51  9139.00  1351.51   0.0000   0.0000  271.333   21.264  ?   ?  0.000000 21.26395 
1 1 1    3    5    8 o   37.005   2.4078  162.452   20.925  154.400   29.597  170.500   29.588   35.969   3.5301   37.834   3.3464 -1.864567 4.864136 
1 1 1    3    5    9 f  173.459   9.2432  3585.41  377.235  3550.80  532.767  3620.20  534.218  171.792   13.235  173.497   13.137 -1.704468 18.64812 
1 1 1    3    5   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   11 f  294.100   22.542 10519.70  1553.54 10519.70  1553.54   0.0000   0.0000  294.100   22.542  ?   ?  0.000000 22.54153 
1 1 1    3    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   13 o  343.345   26.564 14434.50  2136.94 14434.50  2136.94   0.0000   0.0000  343.345   26.564  ?   ?  0.000000 26.56390 
1 1 1    3    5   14 o  267.545   14.618  8561.19  920.003  9060.20  1299.02  8059.00  1303.15  273.675   20.245  257.587   21.625 16.08813 29.62209 
1 1 1    3    5   15 o  210.316   11.033  5268.62  546.045  5694.30  772.429  4843.40  772.020  217.858   15.108  200.533   16.448 17.32518 22.33395 
1 1 1    3    5   16 o  281.802   14.985  9517.72  993.603  9665.50  1405.29  9370.00  1405.05  281.888   21.268  277.388   21.621 4.500336 30.32874 
1 1 1    3    5   17 o  134.124   7.1526  2136.76  225.716  2214.00  319.292  2059.60  319.130  136.152   10.001  131.232   10.383 4.919464 14.41639 
1 1 1    3    5   18 o  216.266   11.494  5592.21  584.894  5410.60  827.067  5773.90  827.261  211.246   16.717  218.448   16.152 -7.202240 23.24505 
1 1 1    3    5   19 o  220.016   11.737  5800.84  607.558  5860.30  859.271  5741.40  859.164  219.505   16.703  217.186   16.885 2.318832 23.75087 
1 1 1    3    5   20 o  117.019   6.2787  1628.01  172.863  1694.10  244.532  1562.00  244.398  118.995   8.7642  114.168   9.1422 4.827271 12.66451 
1 1 1    3    5   21 o  102.195   5.5643  1241.36  133.771  1187.70  189.202  1295.00  189.160   99.576   8.1172  104.067   7.7532 -4.491875 11.22497 
1 1 1    3    5   22 o  170.697   9.1539  3489.06  367.628  3495.50  519.667  3482.60  520.142  169.633   13.074  169.303   13.113 0.3291016 18.51701 
1 1 1    3    5   23 o  161.941   8.3631  3136.66  318.714  2743.20  450.362  3531.40  451.098  150.090   12.830  170.997   11.234 -20.90640 17.05367 
1 1 1    3    5   24 o   70.150   3.9214  584.279   64.697  549.500   91.469  619.100   91.523   67.796   5.7684   72.039   5.4199 -4.243408 7.915177 
1 1 1    3    5   25 o  169.247   9.0292  3439.30  359.550  3185.70  508.385  3693.10  508.575  161.223   13.477  174.117   12.452 -12.89354 18.34892 
1 1 1    3    5   26 o  191.723   10.004  4430.71  451.333  3872.80  637.971  4989.70  638.591  176.710   15.444  201.843   13.476 -25.13281 20.49669 
1 1 1    3    5   27 o  211.979   11.919  5467.33  594.176  4779.00  840.982  6153.40  839.604  194.084   18.577  222.269   16.106 -28.18541 24.58670 
1 1 1    3    5   28 o  248.107   14.098  7597.72  822.534  6748.60  1164.32  8443.70  1162.16  226.882   22.009  256.833   19.304 -29.95171 29.27536 
1 1 1    3    5   29 o   91.878   5.3279  1006.59  115.096  794.500  162.980  1217.60  162.562   80.885   8.6680  100.769   6.8727 -19.88379 11.06202 
1 1 1    3    5   30 o   69.529   3.9017  574.933   63.801  529.400   90.210  620.500   90.245   66.409   5.8111   72.020   5.3446 -5.611176 7.895176 
1 1 1    3    5   31 o  132.643   7.0403  2116.92  219.725  1918.90  310.559  2315.40  310.918  124.772   10.642  137.643   9.6266 -12.87147 14.35031 
1 1 1    3    5   32 o  165.521   9.0298  3352.15  351.601  3200.00  497.151  3504.40  497.327  158.423   13.415  166.409   12.753 -7.985931 18.51000 
1 1 1    3    5   33 o   39.817   2.5204  188.544   23.575  200.600   33.349  176.500   33.333   40.946   3.4821   38.350   3.7279 2.596439 5.101241 
1 1 1    3    5   34 o   50.236   2.9632  300.667   34.995  281.500   49.448  319.900   49.533   48.341   4.3793   51.618   4.0975 -3.276791 5.997348 
1 1 1    3    5   35 o   50.722   3.0026  306.930   35.802  287.800   50.606  326.100   50.658   48.807   4.4395   52.047   4.1565 -3.239395 6.081568 
1 1 1    3    5   36 o   13.298   1.6424   21.248   5.0479   21.400   7.1958   21.100   7.0830   13.227   2.3919   13.135   2.3708 0.9188271E-01 3.367794 
1 1 1    3    5   37 f   16.458   1.7359   32.436   6.6444   27.400   9.4309   37.400   9.3627   14.938   2.7758   17.599   2.3086 -2.661798 3.610377 
1 1 1    3    5   38 o   36.620   2.3516  160.049   20.228  179.600   28.644  140.600   28.569   38.641   3.1671   34.057   3.6074 4.583809 4.800386 
1 1 1    3    5   39 o   80.489   4.5720  789.103   86.538  784.100  122.418  794.100  122.348   78.922   6.6302   79.464   6.5794 -0.5417862 9.340691 
1 1 1    3    5   40 o   15.738   1.6329   29.679   5.9800   34.000   8.5282   25.500   8.3874   16.764   2.2081   14.413   2.5581 2.350872 3.379324 
1 1 1    3    5   41 o   50.832   3.0499  311.437   36.440  321.000   51.568  301.900   51.499   51.097   4.3143   49.478   4.4556 1.618515 6.202074 
1 1 1    3    5   42 o   22.170   1.8293   58.869   9.4909   66.500   13.449   51.300   13.395   23.444   2.4664   20.468   2.8488 2.976021 3.768127 
1 1 1    3    5   43 o   16.110   1.5853   31.153   5.9523   39.400   8.5226   23.300   8.3169   18.050   2.0350   13.685   2.6695 4.365245 3.356764 
1 1 1    3    5   44 o   41.011   2.5475  203.561   24.548  225.700   34.787  181.600   34.647   42.753   3.4759   38.101   3.9062 4.651466 5.228757 
1 1 1    3    5   45 o   17.941   1.7537   38.798   7.3348   41.200   10.378   36.400   10.368   18.320   2.4611   17.150   2.6453 1.170170 3.613142 
1 1 1    3    5   46 o   22.759   1.8944   62.452   10.088   65.400   14.263   59.500   14.271   23.065   2.6681   21.936   2.8204 1.129196 3.882415 
1 1 1    3    5   47 o   2.4064   1.0806  -0.6165   1.2783   0.6000   1.8625  -1.7000   1.7577   3.5289   1.4320   2.5417   1.1867 0.9872355 1.859853 
1 1 1    3    5   48 o   18.505   1.8114   41.446   7.8138   44.800   10.977   38.000   11.126   19.046   2.5012   17.420   2.7996 1.626190 3.754121 
1 1 1    3    5   49 o   4.2450   1.5360   1.7942   1.9790   3.6000   2.8902   0.2000   2.7155   5.6077   1.8658   3.9838   1.6821 1.623938 2.512104 
1 1 1    3    5   50 o   28.603   2.0438   99.742   13.713  121.900   19.464   77.900   19.324   31.307   2.6580   24.566   3.4244 6.741121 4.334904 
1 1 1    3    5   51 o   16.747   1.8468   34.377   7.1819   48.300   10.093   20.100   10.221   19.745   2.2024   12.290   3.4048 7.454653 4.055020 
1 1 1    3    5   52 o   14.116   2.5571   25.500   8.2096   25.500   8.2096   0.0000   0.0000   14.116   2.5571  ?   ?  0.000000 2.557056 
1 1 1    3    5   53 o   24.891   2.9935   80.200   17.242   80.200   17.242   0.0000   0.0000   24.891   2.9935  ?   ?  0.000000 2.993538 
1 1 1    3    5   54 o   13.932   2.6288   25.300   8.3313   25.300   8.3313   0.0000   0.0000   13.932   2.6288  ?   ?  0.000000 2.628807 
1 1 1    3    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    5   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6    0 o  141.219   10.969  2407.40  360.694  2407.40  360.694  2407.40  360.694  141.219   10.969  141.219   10.969 -0.000000 0.000000 
1 1 1    3    6    1 o  115.358   6.2338  1580.46  169.180  1526.30  239.282  1634.60  239.230  112.988   9.0443  117.002   8.7215 -4.014198 12.56437 
1 1 1    3    6    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6    3 o  109.439   5.8786  1422.42  151.361  1321.70  213.971  1523.30  214.143  105.104   8.6996  112.981   8.0800 -7.877197 11.87307 
1 1 1    3    6    4 o  286.774   22.595 10238.70  1517.66 10238.70  1517.66   0.0000   0.0000  286.774   22.595  ?   ?  0.000000 22.59459 
1 1 1    3    6    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6    6 o  162.646   8.8196  3156.97  337.466  3456.00  476.991  2857.30  477.507  169.450   11.998  153.652   13.292 15.79822 17.90607 
1 1 1    3    6    7 o   67.133   3.8144  534.565   60.219  542.900   85.084  526.200   85.242   67.505   5.3824   66.441   5.4822 1.064445 7.682737 
1 1 1    3    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6   10 o  203.783   10.837  4946.60  519.619  4924.10  734.088  4969.20  735.620  202.398   15.477  203.337   15.436 -0.9397736 21.85857 
1 1 1    3    6   11 o  107.381   5.7854  1367.41  146.158  1338.00  206.399  1397.00  206.999  105.965   8.3154  108.309   8.1534 -2.343765 11.64577 
1 1 1    3    6   12 o  305.485   16.180 11174.99  1163.02 11063.10  1642.10 11287.60  1647.43  301.721   23.226  304.848   23.056 -3.126709 32.72693 
1 1 1    3    6   13 o  308.096   23.628 11555.00  1705.89 11555.00  1705.89   0.0000   0.0000  308.096   23.628  ?   ?  0.000000 23.62784 
1 1 1    3    6   14 o  244.831   13.040  7155.05  751.142  7385.20  1062.05  6924.70  1062.50  247.462   18.305  239.401   18.950 8.060959 26.34697 
1 1 1    3    6   15 o  187.775   10.015  4196.41  442.451  4296.00  625.525  4096.70  625.915  189.268   14.097  184.724   14.465 4.543671 20.19804 
1 1 1    3    6   16 o  173.711   9.2527  3590.26  378.174  3597.10  534.576  3583.40  535.062  173.202   13.169  172.862   13.208 0.3399048 18.65162 
1 1 1    3    6   17 o  128.223   6.8361  1952.69  206.236  1862.70  291.569  2042.80  291.755  124.800   9.9772  130.803   9.5109 -6.003181 13.78410 
1 1 1    3    6   18 o  297.187   15.757 10661.54  1101.80 11326.10  1558.66  9997.80  1557.71  303.288   21.911  284.019   23.435 19.26901 32.08312 
1 1 1    3    6   19 o  201.833   10.752  4874.67  510.585  5080.50  722.133  4668.90  722.018  204.780   15.039  196.029   15.730 8.750854 21.76262 
1 1 1    3    6   20 o  311.462   16.710 11833.79  1224.47 12640.80  1732.05 11027.50  1731.28  317.234   23.284  294.769   25.112 22.46494 34.24582 
1 1 1    3    6   21 o  200.305   10.708  4818.87  504.626  4937.60  713.756  4700.20  713.544  201.085   15.143  195.992   15.545 5.092514 21.70162 
1 1 1    3    6   22 o  200.926   10.749  4856.28  508.155  4792.30  718.248  4920.40  719.031  197.639   15.515  200.373   15.313 -2.734467 21.79862 
1 1 1    3    6   23 o  148.219   7.8117  2625.17  272.443  2440.80  384.999  2810.10  385.586  141.882   11.593  152.562   10.772 -10.68085 15.82510 
1 1 1    3    6   24 o   82.289   4.4631  804.469   86.400  709.200  122.136  899.900  122.241   76.916   6.7945   86.841   5.9979 -9.925346 9.063050 
1 1 1    3    6   25 o  183.439   9.5921  4047.64  414.053  3573.40  585.279  4522.80  585.841  170.205   14.707  192.503   12.963 -22.29770 19.60448 
1 1 1    3    6   26 o  109.816   5.9850  1437.43  154.616  1226.70  218.678  1648.10  218.642  100.722   9.2993  117.207   7.9468 -16.48457 12.23228 
1 1 1    3    6   27 o   34.128   2.3929  138.346   19.162  112.200   27.150  164.300   27.049   30.543   3.8499   37.138   3.1131 -6.595518 4.951079 
1 1 1    3    6   28 o   93.696   5.0306  1045.17  110.895  881.200  156.766  1209.40  156.893   85.473   7.8550  100.513   6.6478 -15.03951 10.29052 
1 1 1    3    6   29 o  128.145   7.3016  1970.04  220.028  1707.20  311.665  2231.20  310.671  117.929   11.331  135.577   9.7695 -17.64784 14.96143 
1 1 1    3    6   30 o   64.573   3.6596  495.731   55.573  428.800   78.580  562.700   78.603   59.739   5.6372   68.635   4.8817 -8.896313 7.457130 
1 1 1    3    6   31 o   39.398   2.4874  184.383   23.022  170.200   32.539  198.600   32.577   37.700   3.7029   40.790   3.4136 -3.090351 5.036234 
1 1 1    3    6   32 o   95.494   5.2432  1092.44  117.778  1031.40  166.549  1153.50  166.577   91.997   7.7385   97.491   7.2886 -5.493332 10.63054 
1 1 1    3    6   33 o   57.054   3.2899  387.820   44.136  364.100   62.378  411.600   62.457   54.981   4.8545   58.549   4.5533 -3.567986 6.655724 
1 1 1    3    6   34 o   75.457   4.2183  682.225   74.861  639.300  105.838  725.200  105.900   72.404   6.2517   77.296   5.8452 -4.892159 8.558609 
1 1 1    3    6   35 o   69.241   3.9286  574.791   63.969  601.000   90.483  548.600   90.450   70.307   5.4938   67.054   5.7686 3.253120 7.966064 
1 1 1    3    6   36 o  126.197   7.0580  1976.22  209.483  2015.80  296.352  1936.70  296.155  124.271   10.189  121.534   10.420 2.737663 14.57357 
1 1 1    3    6   37 o   37.270   2.4245  165.746   21.222  160.400   30.000  171.100   30.024   36.446   3.5301   37.679   3.4114 -1.233288 4.909125 
1 1 1    3    6   38 o  117.852   6.6180  1733.59  183.429  1850.90  259.472  1616.40  259.343  118.696   9.3328  109.950   10.102 8.745476 13.75313 
1 1 1    3    6   39 o   75.796   4.2965  697.728   76.583  748.200  108.327  647.300  108.281   77.519   5.9637   71.754   6.4599 5.764961 8.791795 
1 1 1    3    6   40 o   36.113   2.3843  156.050   20.218  156.200   28.591  155.900   28.595   35.883   3.4154   35.847   3.4196 0.3595352E-01 4.833095 
1 1 1    3    6   41 o   52.292   2.9419  329.243   36.179  394.200   51.246  264.700   51.083   56.857   3.8394   46.137   4.7571 10.72062 6.113180 
1 1 1    3    6   42 o   19.226   1.7303   44.306   7.7715   51.500   11.025   37.200   10.957   20.631   2.3023   17.390   2.7604 3.241365 3.594471 
1 1 1    3    6   43 o   7.6733   1.7050   7.2838   3.0092   6.2000   4.3260   8.3000   4.1887   7.2296   2.2730   8.1807   2.1428 -0.9511251 3.123770 
1 1 1    3    6   44 o   13.023   1.6881   20.543   5.0690   17.300   7.2176   23.700   7.1206   11.741   2.6644   13.882   2.2492 -2.141400 3.486824 
1 1 1    3    6   45 o   30.922   2.2209  115.580   16.109  133.100   22.762   98.000   22.801   32.909   2.9608   27.963   3.5319 4.946264 4.608693 
1 1 1    3    6   46 o   14.752   1.7180   26.339   5.8723   23.700   8.3674   28.900   8.2432   13.751   2.6732   15.308   2.3560 -1.556738 3.563224 
1 1 1    3    6   47 o   21.761   1.8277   57.113   9.3047   65.400   13.188   48.900   13.129   23.112   2.4541   19.806   2.8926 3.306208 3.793400 
1 1 1    3    6   48 f   12.205   1.6780   18.150   4.7082   21.500   6.6583   14.800   6.6583   13.168   2.2203   10.805   2.6336 2.363146 3.444684 
1 1 1    3    6   49 o   17.379   1.7051   36.589   6.9073   43.600   9.8119   29.700   9.7254   18.820   2.2527   15.308   2.7934 3.511712 3.588558 
1 1 1    3    6   50 o   20.589   1.8160   51.529   8.7387   69.300   12.383   33.900   12.334   23.736   2.2357   16.094   3.3542 7.642546 4.030981 
1 1 1    3    6   51 o   25.907   3.0072   85.800   18.055   85.800   18.055   0.0000   0.0000   25.907   3.0072  ?   ?  0.000000 3.007205 
1 1 1    3    6   52 o   17.845   2.6995   40.700   11.020   40.700   11.020   0.0000   0.0000   17.845   2.6995  ?   ?  0.000000 2.699472 
1 1 1    3    6   53 o   21.266   2.8118   58.200   13.774   58.200   13.774   0.0000   0.0000   21.266   2.8118  ?   ?  0.000000 2.811791 
1 1 1    3    6   54 o   18.798   2.7877   46.100   11.999   46.100   11.999   0.0000   0.0000   18.798   2.7877  ?   ?  0.000000 2.787661 
1 1 1    3    6   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    6   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7    0 o   95.716   7.5849  1104.80  168.956  1104.80  168.956  1104.80  168.956   95.716   7.5849   95.716   7.5849 0.000000 0.000000 
1 1 1    3    7    1 o  160.574   8.5684  3074.20  323.714  3247.10  457.872  2901.40  457.730  164.319   11.880  155.095   12.607 9.223328 17.32311 
1 1 1    3    7    2 o  183.702   9.8008  4032.76  423.608  3938.90  598.933  4126.70  599.212  180.368   14.177  184.749   13.836 -4.381180 19.80909 
1 1 1    3    7    3 o  253.994   13.425  7775.03  802.346  7166.60  1134.07  8384.80  1135.31  240.786   20.130  261.445   18.509 -20.65892 27.34617 
1 1 1    3    7    4 o   88.499   4.8620  929.751  101.216  938.800  143.133  920.700  143.148   88.691   6.8884   87.817   6.9601 0.8737564 9.792541 
1 1 1    3    7    5 o  313.150   24.880 12351.70  1824.59 12351.70  1824.59   0.0000   0.0000  313.150   24.880  ?   ?  0.000000 24.87970 
1 1 1    3    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7    7 o  149.217   7.5527  2647.48  265.256  2357.20  373.995  2941.30  376.272  140.125   11.402  156.861   10.214 -16.73640 15.30773 
1 1 1    3    7    8 o  237.467   12.805  6747.93  715.370  7031.30  1010.66  6463.40  1012.72  240.912   17.894  230.633   18.758 10.27879 25.92365 
1 1 1    3    7    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   10 o  167.631   8.8785  3339.05  350.191  3263.50  494.425  3415.10  496.070  165.150   12.778  169.008   12.519 -3.858215 17.88849 
1 1 1    3    7   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   12 o  275.980   13.601  9066.98  886.383  7903.30  1250.37 10242.50  1256.72  255.438   20.913  291.803   18.332 -36.36491 27.81001 
1 1 1    3    7   13 o  311.634   16.279 11639.41  1193.78 11031.30  1685.57 12251.40  1690.95  300.772   23.931  317.554   22.700 -16.78174 32.98431 
1 1 1    3    7   14 o  442.192   35.153 24631.40  3640.30 24631.40  3640.30   0.0000   0.0000  442.192   35.153  ?   ?  0.000000 35.15314 
1 1 1    3    7   15 o  387.195   20.817 18164.69  1896.29 17760.00  2680.72 18570.00  2682.80  377.512   30.328  386.533   29.618 -9.020844 42.39106 
1 1 1    3    7   16 o  390.594   30.975 19158.50  2833.45 19158.50  2833.45   0.0000   0.0000  390.594   30.975  ?   ?  0.000000 30.97454 
1 1 1    3    7   17 o  350.698   18.947 14936.05  1563.20 15201.20  2209.89 14670.50  2211.52  348.871   27.036  342.312   27.594 6.558929 38.63132 
1 1 1    3    7   18 o  250.699   13.384  7553.48  789.461  7696.40  1116.55  7410.60  1116.38  250.864   18.989  245.962   19.378 4.902527 27.13130 
1 1 1    3    7   19 o   70.995   3.9989  597.914   66.767  607.700   94.353  588.100   94.492   71.410   5.6414   70.229   5.7483 1.180649 8.054030 
1 1 1    3    7   20 o  157.128   8.4134  2947.00  311.035  2911.10  439.887  2982.90  439.852  155.272   12.093  157.230   11.936 -1.957687 16.99136 
1 1 1    3    7   21 o   87.432   4.8009  907.997   98.739  917.600  139.658  898.400  139.617   87.633   6.8023   86.695   6.8764 0.9380798 9.672424 
1 1 1    3    7   22 o   86.413   4.7152  887.049   95.851  862.900  135.412  911.300  135.696   84.942   6.8083   87.334   6.6294 -2.392540 9.502699 
1 1 1    3    7   23 o   82.537   4.5217  809.316   87.793  742.700  124.127  876.000  124.190   78.748   6.7401   85.660   6.1812 -6.911476 9.145288 
1 1 1    3    7   24 o  174.139   9.3469  3643.13  382.946  3706.90  541.634  3579.40  541.500  174.157   13.270  171.011   13.520 3.146072 18.94428 
1 1 1    3    7   25 o  140.735   7.4971  2368.34  248.250  2187.60  350.974  2549.30  351.185  134.204   11.177  145.232   10.307 -11.02798 15.20384 
1 1 1    3    7   26 o  127.138   6.8452  1930.52  204.748  1682.40  289.541  2178.70  289.573  117.724   10.527  134.495   9.1725 -16.77136 13.96225 
1 1 1    3    7   27 o  202.438   10.596  4960.56  504.754  4289.20  713.490  5633.20  714.169  184.974   16.508  213.693   14.234 -28.71954 21.79781 
1 1 1    3    7   28 o  225.515   12.691  6235.07  673.074  5773.50  953.129  6694.20  950.616  211.987   19.250  229.814   17.652 -17.82722 26.11857 
1 1 1    3    7   29 o   78.212   4.3185  727.807   79.448  598.900  112.338  856.800  112.375   70.488   6.8350   84.662   5.6536 -14.17375 8.870190 
1 1 1    3    7   30 o  138.337   7.3169  2301.23  238.165  2022.00  336.653  2581.00  336.980  128.062   11.247  145.472   9.8682 -17.41008 14.96220 
1 1 1    3    7   31 o   18.303   1.7240   39.947   7.3633   41.100   10.428   38.800   10.398   18.477   2.4506   17.932   2.5256 0.5445766 3.519135 
1 1 1    3    7   32 o   56.422   3.2895  378.949   43.637  361.000   61.710  396.900   61.714   54.807   4.8172   57.533   4.5805 -2.726089 6.647291 
1 1 1    3    7   33 o   90.704   5.0108  987.939  106.907  954.000  151.165  1021.90  151.213   88.296   7.3161   91.514   7.0517 -3.218788 10.16131 
1 1 1    3    7   34 o   8.9193   1.3837   9.6272   2.8199   16.100   4.0969   3.8000   3.8872   11.567   1.5381   6.0957   2.1587 5.471076 2.650642 
1 1 1    3    7   35 o   40.802   2.5371  198.362   24.323  219.000   34.430  177.800   34.366   42.725   3.4419   38.387   3.8429 4.337360 5.158903 
1 1 1    3    7   36 o   48.030   2.9065  275.648   32.809  281.000   46.406  270.300   46.391   48.211   4.1157   47.255   4.2012 0.9563370 5.881265 
1 1 1    3    7   37 o   64.798   3.7241  505.044   56.744  517.200   80.268  492.900   80.227   64.982   5.2766   63.368   5.4135 1.613991 7.559605 
1 1 1    3    7   38 f   30.334   2.0854  109.747   14.847  130.900   21.024   88.700   20.971   33.034   2.7193   27.019   3.3594 6.015518 4.322060 
1 1 1    3    7   39 o   38.769   2.4989  179.751   22.755  178.600   32.194  180.900   32.167   38.385   3.5937   38.642   3.5655 -0.2562485 5.062295 
1 1 1    3    7   40 o   30.369   2.1219  110.222   15.121  125.900   21.404   94.600   21.365   32.322   2.8329   27.870   3.3112 4.452557 4.357721 
1 1 1    3    7   41 o   42.928   2.6970  221.603   27.200  229.800   38.461  213.400   38.474   43.340   3.7964   41.691   3.9554 1.648670 5.482475 
1 1 1    3    7   42 o   35.358   2.3756  150.310   19.719  143.000   27.906  157.600   27.868   34.121   3.5137   35.907   3.3245 -1.785912 4.837203 
1 1 1    3    7   43 o   15.171   1.6678   27.724   5.8761   29.200   8.3864   26.300   8.2357   15.425   2.3789   14.600   2.4775 0.8255520 3.434702 
1 1 1    3    7   44 o   36.124   2.4058  157.796   20.405  159.400   28.896  156.200   28.817   35.869   3.4544   35.490   3.4836 0.3788223 4.905891 
1 1 1    3    7   45 o   31.763   2.1341  121.730   15.913  137.800   22.590  105.900   22.421   33.517   2.8822   29.173   3.3134 4.344139 4.391589 
1 1 1    3    7   46 o   48.605   2.9041  289.533   33.179  335.600   46.982  243.700   46.862   51.616   3.8831   43.361   4.6494 8.255299 6.057706 
1 1 1    3    7   47 o   28.807   2.0758  100.345   14.026  110.600   19.889   90.200   19.782   29.949   2.8465   26.880   3.1782 3.069525 4.266541 
1 1 1    3    7   48 o   20.053   1.7905   48.610   8.3892   54.700   11.904   42.600   11.825   21.083   2.4359   18.449   2.8025 2.634306 3.713124 
1 1 1    3    7   49 o   10.845   1.6648   14.425   4.1271   15.100   5.9524   13.800   5.7273   10.929   2.3744   10.440   2.3766 0.4887114 3.359481 
1 1 1    3    7   50 o   16.733   1.7514   34.100   6.8179   35.400   9.6419   32.800   9.6419   16.796   2.5079   16.111   2.6247 0.6845589 3.630249 
1 1 1    3    7   51 o   11.130   1.8445   15.391   4.6778   19.100   6.4594   11.300   6.7832   12.278   2.3128   9.4021   2.8264 2.875915 3.652034 
1 1 1    3    7   52 o   18.966   2.6599   45.800   11.585   45.800   11.585   0.0000   0.0000   18.966   2.6599  ?   ?  0.000000 2.659887 
1 1 1    3    7   53 o   14.552   2.5421   27.200   8.4174   27.200   8.4174   0.0000   0.0000   14.552   2.5421  ?   ?  0.000000 2.542083 
1 1 1    3    7   54 o   4.7256   1.8901   1.5000   3.1940   1.5000   3.1940   0.0000   0.0000   4.7256   1.8901  ?   ?  0.000000 1.890118 
1 1 1    3    7   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    7   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8    1 o  203.069   10.554  4936.55  504.328  5508.30  713.820  4366.70  712.635  213.363   14.250  189.212   16.103 24.15022 21.50268 
1 1 1    3    8    2 o   45.605   2.6903  246.593   28.843  283.200   40.850  210.200   40.731   48.815   3.5687   41.952   4.1667 6.862797 5.486071 
1 1 1    3    8    3 f  149.076   7.9675  2647.65  279.456  2522.10  395.138  2773.30  395.282  144.741   11.660  151.954   11.093 -7.213013 16.09359 
1 1 1    3    8    4 o  367.854   29.899 17395.00  2574.68 17395.00  2574.68   0.0000   0.0000  367.854   29.899  ?   ?  0.000000 29.89928 
1 1 1    3    8    5 o  345.075   27.557 15045.70  2226.74 15045.70  2226.74   0.0000   0.0000  345.075   27.557  ?   ?  0.000000 27.55695 
1 1 1    3    8    6 o  269.019   13.307  8657.01  845.334  7570.80  1191.79  9756.80  1199.21  248.619   20.483  283.546   18.004 -34.92694 27.27045 
1 1 1    3    8    7 o  274.006   14.545  9006.27  937.754 10744.80  1326.33  7268.50  1326.04  297.769   18.962  242.973   23.401 54.79526 30.11916 
1 1 1    3    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8    9 o  195.642   10.603  4555.83  487.996  4932.00  689.512  4178.30  690.751  202.897   14.487  186.388   15.844 16.50871 21.46885 
1 1 1    3    8   10 o  182.260   9.6540  3948.96  414.011  3884.60  584.658  4013.70  586.347  180.114   13.853  183.135   13.657 -3.021088 19.45275 
1 1 1    3    8   11 o  283.469   15.248  9611.38  1016.93  9999.80  1436.62  9221.30  1439.70  287.415   21.319  275.614   22.313 11.80090 30.86050 
1 1 1    3    8   12 o  395.720   30.870 19400.00  2861.81 19400.00  2861.81   0.0000   0.0000  395.720   30.870  ?   ?  0.000000 30.87020 
1 1 1    3    8   13 o  343.971   18.426 14237.73  1491.19 14355.70  2108.56 14119.70  2109.16  342.096   26.304  339.139   26.549 2.956665 37.37301 
1 1 1    3    8   14 o  284.525   15.010  9696.30  1004.90  9420.70  1418.96  9973.60  1423.34  278.267   21.768  286.581   21.183 -8.313171 30.37384 
1 1 1    3    8   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8   16 o   80.317   4.4411  764.945   83.902  756.600  118.619  773.300  118.690   79.693   6.3562   80.582   6.2873 -0.8885498 8.940491 
1 1 1    3    8   17 o  344.063   18.564 14391.33  1502.64 14427.70  2124.04 14354.90  2126.07  339.348   26.723  338.415   26.825 0.9333801 37.86413 
1 1 1    3    8   18 o  196.200   10.418  4602.19  480.927  4487.10  679.804  4717.50  680.464  192.419   15.082  197.451   14.700 -5.031830 21.06065 
1 1 1    3    8   19 o  331.251   17.628 13415.64  1373.87 12556.10  1941.58 14277.60  1944.31  313.815   26.448  336.353   24.651 -22.53787 36.15480 
1 1 1    3    8   20 o  104.942   5.6927  1309.20  140.541  1324.80  198.766  1293.60  198.744  105.209   8.0620  103.938   8.1633 1.271477 11.47324 
1 1 1    3    8   21 o  201.101   10.817  4863.75  511.772  4968.60  723.564  4758.80  723.947  201.437   15.327  196.944   15.697 4.492783 21.93877 
1 1 1    3    8   22 o   37.526   2.4281  167.100   21.400  169.700   30.267  164.500   30.262   37.724   3.4354   37.130   3.4926 0.5939827 4.899031 
1 1 1    3    8   23 o  238.567   12.886  6917.83  723.219  7063.20  1022.87  6772.50  1022.70  237.617   18.373  232.347   18.801 5.270493 26.28760 
1 1 1    3    8   24 o  192.788   10.161  4477.59  460.934  3926.50  651.647  5029.40  652.072  178.061   15.657  202.737   13.701 -24.67657 20.80562 
1 1 1    3    8   25 o   96.636   5.3422  1111.59  121.431  1037.00  171.829  1186.00  171.631   92.871   7.9107   99.477   7.3588 -6.605988 10.80418 
1 1 1    3    8   26 o  127.240   6.5858  1932.27  197.200  1627.40  278.711  2237.90  279.054  115.814   10.299  136.431   8.7073 -20.61709 13.48639 
1 1 1    3    8   27 o  309.647   17.884 12102.56  1302.11 11031.70  1843.32 13169.10  1839.60  282.878   27.962  313.573   25.053 -30.69464 37.54367 
1 1 1    3    8   28 o   80.553   4.5033  771.989   85.316  692.100  120.685  851.800  120.626   75.872   6.8086   84.371   6.0956 -8.499390 9.138573 
1 1 1    3    8   29 o  207.118   11.060  5239.92  538.951  4677.60  761.903  5803.10  762.481  191.333   17.042  214.940   15.119 -23.60648 22.78183 
1 1 1    3    8   30 o   24.605   1.9307   72.000   11.128   50.200   15.737   93.800   15.737   20.311   3.4013   28.059   2.3981 -7.747644 4.161745 
1 1 1    3    8   31 o  139.031   7.5199  2338.17  245.963  2202.00  347.748  2474.50  347.941  133.006   11.176  141.466   10.491 -8.460037 15.32799 
1 1 1    3    8   32 o  124.169   6.7965  1865.45  198.524  1866.40  280.796  1864.50  280.714  122.640   9.7773  122.576   9.7798 0.6427765E-01 13.82895 
1 1 1    3    8   33 o   81.142   4.5348  789.205   86.542  765.700  122.401  812.700  122.377   79.260   6.5998   81.750   6.3903 -2.489632 9.186589 
1 1 1    3    8   34 o   61.874   3.5567  457.641   51.747  437.300   73.164  478.000   73.198   60.055   5.2109   62.879   4.9703 -2.823700 7.201228 
1 1 1    3    8   35 o   27.316   1.9671   88.850   12.604  102.600   17.857   75.200   17.792   29.278   2.6103   24.950   3.0858 4.328535 4.041725 
1 1 1    3    8   36 o   51.010   3.0376  311.190   36.423  323.200   51.531  299.200   51.488   51.675   4.2610   49.655   4.4380 2.020027 6.152408 
1 1 1    3    8   37 o   55.548   3.2225  369.854   42.088  410.800   59.555  329.000   59.488   58.199   4.3653   51.859   4.9166 6.340004 6.574901 
1 1 1    3    8   38 o   74.783   4.2513  677.795   74.764  670.500  105.696  685.100  105.769   73.354   6.1590   74.196   6.0907 -0.8417511 8.661956 
1 1 1    3    8   39 o   22.354   1.8622   59.700   9.7403   55.800   13.775   63.600   13.775   21.445   2.7860   22.956   2.5861 -1.511602 3.801312 
1 1 1    3    8   40 o   21.327   1.8252   54.392   9.1031   55.500   12.920   53.300   12.828   21.405   2.6102   20.963   2.6507 0.4427280 3.720136 
1 1 1    3    8   41 o   35.203   2.3554  148.648   19.467  146.000   27.519  151.300   27.541   34.591   3.4136   35.239   3.3501 -0.6481781 4.782842 
1 1 1    3    8   42 o   34.134   2.3059  140.045   18.477  144.500   26.146  135.600   26.116   34.378   3.2597   33.254   3.3725 1.124744 4.690351 
1 1 1    3    8   43 o   12.122   1.6527   17.809   4.6073   17.400   6.5871   18.200   6.4466   11.824   2.4402   12.118   2.3376 -0.2946272 3.379174 
1 1 1    3    8   44 o   26.922   2.0062   87.256   12.662   94.900   17.960   79.700   17.855   27.848   2.7678   25.406   3.0364 2.442141 4.108534 
1 1 1    3    8   45 o   40.556   2.6112  200.095   24.874  212.400   35.185  187.800   35.170   41.223   3.6524   38.588   3.9139 2.634552 5.353350 
1 1 1    3    8   46 o   21.758   1.8669   57.109   9.4992   65.100   13.427   49.100   13.441   23.055   2.5066   19.840   2.9596 3.215694 3.878441 
1 1 1    3    8   47 o   18.988   1.7724   43.524   7.8548   51.100   11.127   36.000   11.090   20.429   2.3495   16.942   2.8748 3.487009 3.712718 
1 1 1    3    8   48 o   35.230   2.3815  151.487   19.696  157.800   27.882  145.200   27.826   35.391   3.3773   33.839   3.5345 1.552708 4.888633 
1 1 1    3    8   49 o   9.0008   1.7295   10.053   3.5423  10.0000   5.1503   10.100   4.8799   8.8954   2.3976   8.9383   2.2990 -0.4292965E-01 3.321698 
1 1 1    3    8   50 o   21.582   1.6560   56.369   8.3751   77.000   12.084   37.300   11.618   25.087   2.0580   17.034   2.9978 8.053282 3.636249 
1 1 1    3    8   51 o   12.798   1.7835   20.194   5.2435   22.500   7.2073   17.600   7.6427   13.323   2.3781   11.619   2.8152 1.704423 3.685179 
1 1 1    3    8   52 o   14.124   2.5295   25.500   8.1263   25.500   8.1263   0.0000   0.0000   14.124   2.5295  ?   ?  0.000000 2.529495 
1 1 1    3    8   53 o   14.325   2.5432   26.400   8.2875   26.400   8.2875   0.0000   0.0000   14.325   2.5432  ?   ?  0.000000 2.543246 
1 1 1    3    8   54 f   15.290   2.6566   30.600   9.2440   30.600   9.2440   0.0000   0.0000   15.290   2.6566  ?   ?  0.000000 2.656622 
1 1 1    3    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9    0 o   16.996   2.6436   36.500   9.8455   36.500   9.8455   36.500   9.8455   16.996   2.6436   16.996   2.6436 0.000000 0.000000 
1 1 1    3    9    1 o  220.069   11.395  5798.65  590.146  6514.00  835.234  5085.50  833.951  232.012   15.332  204.117   17.471 27.89543 23.24393 
1 1 1    3    9    2 o  295.200   15.695 10534.00  1090.10 10221.80  1539.17 10848.20  1544.11  287.058   22.897  296.166   22.242 -9.107666 31.92124 
1 1 1    3    9    3 o  143.387   7.6078  2445.70  256.670  2611.30  363.151  2280.40  362.822  147.695   10.481  137.822   11.246 9.873276 15.37294 
1 1 1    3    9    4 o  189.974   9.9228  4303.51  443.589  4072.40  626.062  4536.50  628.604  183.741   14.548  194.187   13.798 -10.44597 20.05127 
1 1 1    3    9    5 f   86.342   4.4939  883.744   91.308  776.500  128.621  992.700  129.643   80.689   6.8142   91.386   6.0418 -10.69749 9.106966 
1 1 1    3    9    6 o  345.821   18.571 14438.01  1510.96 14608.00  2137.38 14268.20  2136.26  343.981   26.518  339.754   26.846 4.227112 37.73513 
1 1 1    3    9    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9    9 o  244.713   13.240  7144.65  762.237  7750.40  1077.08  6536.90  1078.85  253.795   18.091  232.516   19.839 21.27968 26.84897 
1 1 1    3    9   10 o  333.882   25.791 13618.50  2017.66 13618.50  2017.66   0.0000   0.0000  333.882   25.791  ?   ?  0.000000 25.79132 
1 1 1    3    9   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   13 o  193.587   9.6175  4445.54  439.644  3875.40  620.016  5022.10  623.499  179.596   14.750  204.971   12.948 -25.37488 19.62727 
1 1 1    3    9   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   15 o  363.310   19.755 16005.47  1688.38 16571.60  2385.37 15437.10  2390.11  365.016   27.886  351.476   29.058 13.53979 40.27404 
1 1 1    3    9   16 o  198.772   10.226  4712.69  478.364  4342.40  674.732  5086.90  678.300  189.607   15.198  205.631   14.053 -16.02390 20.69951 
1 1 1    3    9   17 f  119.284   6.3097  1690.30  177.095  1587.50  250.201  1793.50  250.701  115.171   9.2786  122.551   8.7201 -7.380310 12.73313 
1 1 1    3    9   18 o  209.740   11.152  5271.52  550.331  5148.70  777.880  5394.60  778.692  205.626   16.150  210.653   15.769 -5.027283 22.57184 
1 1 1    3    9   19 o   97.335   5.3174  1125.51  121.754  1139.70  172.110  1111.30  172.262   97.651   7.5218   96.403   7.6296 1.248222 10.71391 
1 1 1    3    9   20 o  217.873   11.755  5719.88  602.552  6015.60  851.950  5423.90  852.324  221.368   16.415  209.663   17.372 11.70563 23.90063 
1 1 1    3    9   21 o  215.291   11.599  5590.71  587.500  5702.20  830.631  5479.10  831.070  215.155   16.474  210.684   16.846 4.471313 23.56235 
1 1 1    3    9   22 o  129.382   6.9960  1997.04  212.947  2054.00  301.058  1940.00  301.246  130.572   9.8365  126.794   10.146 3.777451 14.13180 
1 1 1    3    9   23 o  267.004   14.545  8734.89  913.578  8636.10  1291.93  8833.70  1292.05  260.263   21.206  263.479   20.940 -3.215729 29.80198 
1 1 1    3    9   24 o   79.351   4.4548  748.313   83.135  681.200  117.626  815.300  117.516   75.377   6.6776   82.616   6.0662 -7.239128 9.021614 
1 1 1    3    9   25 o   75.038   4.1559  668.919   73.351  601.300  103.711  736.600  103.759   70.840   6.2644   78.561   5.6305 -7.720833 8.422922 
1 1 1    3    9   26 o   31.770   2.1869  119.847   16.306  105.900   23.058  133.800   23.063   29.730   3.3424   33.507   2.9447 -3.776459 4.454551 
1 1 1    3    9   27 o   46.116   2.8232  252.465   30.596  214.900   43.278  290.000   43.260   42.351   4.3913   49.346   3.7404 -6.994858 5.768396 
1 1 1    3    9   28 o  117.686   6.3295  1655.40  175.251  1410.40  247.793  1900.60  247.892  107.645   9.8579  125.561   8.4094 -17.91600 12.95745 
1 1 1    3    9   29 o   85.029   4.6737  861.277   93.481  802.400  132.176  920.200  132.228   81.623   6.9230   87.558   6.4406 -5.934959 9.455624 
1 1 1    3    9   30 o   80.503   4.3457  772.122   82.305  667.000  116.325  877.500  116.467   74.326   6.6999   85.547   5.7998 -11.22115 8.861501 
1 1 1    3    9   31 o   72.705   4.1055  630.367   70.195  578.400   99.288  682.300   99.255   69.201   6.1398   75.333   5.6201 -6.131546 8.323585 
1 1 1    3    9   32 o   75.695   4.2355  684.742   75.403  656.600  106.621  712.900  106.651   73.615   6.1911   76.806   5.9262 -3.191185 8.570304 
1 1 1    3    9   33 o   19.314   1.7486   44.485   7.8884   48.400   11.177   40.600   11.135   20.068   2.4066   18.316   2.6516 1.752098 3.580921 
1 1 1    3    9   34 o   65.844   3.6992  518.786   57.284  560.300   81.074  477.400   80.949   68.045   5.0824   62.637   5.5296 5.407269 7.510509 
1 1 1    3    9   35 o   44.802   2.7452  239.491   28.903  249.000   40.894  230.000   40.855   45.463   3.8453   43.643   4.0091 1.819996 5.555116 
1 1 1    3    9   36 o   31.354   2.1556  117.178   15.862  127.100   22.458  107.300   22.408   32.531   2.9558   29.814   3.2348 2.717197 4.381823 
1 1 1    3    9   37 o   53.435   3.1714  342.300   39.837  342.500   56.360  342.100   56.316   53.033   4.5444   53.002   4.5435 0.3086090E-01 6.426130 
1 1 1    3    9   38 o   57.372   3.3558  395.734   45.265  456.400   64.023  335.100   64.006   61.218   4.4595   52.081   5.2774 9.137814 6.909308 
1 1 1    3    9   39 o   53.672   3.1603  346.405   39.876  332.700   56.302  360.200   56.485   52.059   4.6283   54.260   4.4476 -2.201218 6.418874 
1 1 1    3    9   40 o   38.482   2.4842  177.447   22.453  179.500   31.780  175.400   31.727   38.417   3.5431   37.960   3.5818 0.4567909 5.038164 
1 1 1    3    9   41 o   65.724   3.8369  528.052   59.289  522.600   83.861  533.500   83.834   64.178   5.5895   64.900   5.5228 -0.7224045 7.857684 
1 1 1    3    9   42 o   15.016   1.6907   27.159   5.8908   24.800   8.3463   29.500   8.3155   14.154   2.5927   15.527   2.3406 -1.373042 3.492884 
1 1 1    3    9   43 o   6.5491   1.6593   5.3047   2.5691   6.4000   3.7141   4.3000   3.5573   7.2282   2.0702   6.1785   2.0702 1.049689 2.927704 
1 1 1    3    9   44 o   16.760   1.7414   33.875   6.7913   30.700   9.6423   37.000   9.5668   15.716   2.6952   17.371   2.3961 -1.654548 3.606256 
1 1 1    3    9   45 o   9.4820   1.6371   11.024   3.5330   12.800   5.0345   9.3000   4.9592   10.133   2.1695   8.6419   2.3625 1.490941 3.207560 
1 1 1    3    9   46 o   22.853   1.8860   62.989   10.087   68.500   14.279   57.500   14.250   23.623   2.6030   21.529   2.8750 2.094383 3.878276 
1 1 1    3    9   47 o   1.3541   0.6615  -1.3227   0.6974   0.1000   1.3913  -1.8000   0.8059   2.8643   1.2064   1.3806   0.6816 1.483650 1.385689 
1 1 1    3    9   48 o   25.740   1.9651   80.290   11.854   89.500   16.819   71.200   16.710   26.897   2.6840   23.807   3.0419 3.090101 4.056763 
1 1 1    3    9   49 o   16.863   1.7358   34.550   6.8131   35.400   9.6352   33.700   9.6352   16.826   2.5011   16.383   2.5757 0.4433727 3.590219 
1 1 1    3    9   50 o   25.443   1.9667   79.037   11.724   89.700   16.630   68.500   16.532   26.757   2.6675   23.115   3.1074 3.642038 4.095280 
1 1 1    3    9   51 o   17.903   1.8840   39.350   7.8450   44.000   10.872   34.300   11.331   18.669   2.5315   16.202   3.0740 2.467178 3.982201 
1 1 1    3    9   52 o   8.8310   2.3722  10.0000   5.0520  10.0000   5.0520   0.0000   0.0000   8.8310   2.3722  ?   ?  0.000000 2.372214 
1 1 1    3    9   53 o   12.070   2.4502   18.800   6.7451   18.800   6.7451   0.0000   0.0000   12.070   2.4502  ?   ?  0.000000 2.450250 
1 1 1    3    9   54 o   10.129   2.5727   13.600   6.1653   13.600   6.1653   0.0000   0.0000   10.129   2.5727  ?   ?  0.000000 2.572727 
1 1 1    3    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10    1 o  169.030   8.3623  3389.13  333.773  4007.70  472.666  2773.90  471.389  183.181   10.978  151.825   13.282 31.35603 17.23155 
1 1 1    3   10    2 o  335.745   18.238 13631.24  1440.50 14496.90  2035.89 12763.40  2038.46  342.575   25.347  320.259   27.213 22.31631 37.18890 
1 1 1    3   10    3 o   76.453   4.2305  692.977   76.078  679.100  107.309  707.000  107.873   75.514   6.0692   77.069   5.9741 -1.555161 8.516168 
1 1 1    3   10    4 o  135.315   6.5464  2166.99  209.177  1853.60  294.242  2487.20  297.424  124.544   10.092  144.572   8.7535 -20.02807 13.35928 
1 1 1    3   10    5 o  147.325   8.0131  2578.51  277.717  2694.10  392.056  2462.10  393.452  150.180   11.135  143.439   11.719 6.740784 16.16496 
1 1 1    3   10    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10    7 o  139.570   7.5667  2312.42  248.448  2404.60  350.849  2219.70  351.870  141.980   10.540  136.313   11.026 5.667267 15.25333 
1 1 1    3   10    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10    9 o  195.656   10.493  4554.46  483.045  4726.90  682.526  4381.40  683.734  198.631   14.655  191.071   15.282 7.560730 21.17335 
1 1 1    3   10   10 o  405.440   31.767 20403.00  3016.99 20403.00  3016.99   0.0000   0.0000  405.440   31.767  ?   ?  0.000000 31.76683 
1 1 1    3   10   11 o  257.472   13.866  7920.56  839.945  8214.70  1186.24  7624.80  1189.49  260.773   19.403  250.930   20.247 9.842880 28.04308 
1 1 1    3   10   12 o  185.658   10.096  4102.42  440.959  4533.20  623.090  3670.20  624.131  194.574   13.648  174.645   15.288 19.92900 20.49365 
1 1 1    3   10   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10   14 o  182.093   9.7934  3948.53  419.557  4134.30  592.900  3762.20  593.787  185.617   13.622  176.862   14.341 8.754211 19.77971 
1 1 1    3   10   15 o  312.965   16.234 11805.84  1195.61 10988.10  1687.30 12630.50  1694.42  298.216   24.169  320.768   22.513 -22.55206 33.02933 
1 1 1    3   10   16 o  290.721   15.308 10193.83  1047.20  9697.10  1478.49 10693.90  1483.46  280.113   22.543  294.842   21.454 -14.72934 31.12046 
1 1 1    3   10   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10   18 o   87.103   4.4898  900.076   92.033  806.300  129.557  995.600  130.760   82.167   6.7365   91.446   6.0903 -9.279022 9.081403 
1 1 1    3   10   19 o  301.566   16.381 11118.49  1162.14 11960.30  1643.48 10276.60  1643.56  307.997   22.758  283.735   24.779 24.26224 33.64460 
1 1 1    3   10   20 o  129.606   6.9542  2001.76  212.052  1961.30  299.736  2042.30  300.038  127.650   10.024  130.324   9.8218 -2.673630 14.03419 
1 1 1    3   10   21 o  126.897   6.8298  1919.58  203.901  2002.20  288.402  1837.00  288.319  129.033   9.5328  123.458   9.9751 5.574982 13.79776 
1 1 1    3   10   22 o  208.630   11.317  5257.98  555.440  5345.50  784.477  5170.00  786.548  207.995   16.098  204.342   16.440 3.653519 23.00868 
1 1 1    3   10   23 o  268.608   14.629  8848.86  924.413  8887.60  1307.93  8810.20  1306.70  263.927   21.164  262.694   21.247 1.232880 29.98960 
1 1 1    3   10   24 o  100.311   5.4799  1197.86  129.311  1242.80  182.845  1152.90  182.902  101.789   7.6633   97.952   7.9769 3.837189 11.06152 
1 1 1    3   10   25 o   19.197   1.7476   43.898   7.8355   44.700   11.098   43.100   11.064   19.286   2.4954   18.926   2.5398 0.3600960 3.560532 
1 1 1    3   10   26 o  102.711   5.6329  1257.20  136.097  1153.70  192.517  1360.60  192.424   97.810   8.4173  106.446   7.7075 -8.636314 11.41303 
1 1 1    3   10   27 o   76.165   4.2416  689.737   75.985  695.900  107.576  683.600  107.343   76.239   6.0246   75.550   6.0681 0.6885910 8.550927 
1 1 1    3   10   28 o  140.536   7.6497  2372.73  252.905  2214.20  357.752  2531.10  357.573  134.348   11.384  144.053   10.586 -9.705627 15.54532 
1 1 1    3   10   29 o  114.458   6.2258  1568.70  167.637  1547.20  237.081  1590.20  237.069  112.827   8.9728  114.439   8.8413 -1.612717 12.59681 
1 1 1    3   10   30 o  107.404   5.7196  1381.60  144.537  1217.40  204.285  1546.20  204.527   99.839   8.7535  113.001   7.7110 -13.16174 11.66547 
1 1 1    3   10   31 o  164.172   9.0074  3303.39  347.856  3346.30  491.999  3260.50  491.885  162.122   12.960  159.852   13.148 2.269089 18.46145 
1 1 1    3   10   32 o  100.739   5.5268  1221.52  130.969  1258.80  185.290  1184.30  185.148  101.323   7.8044   98.141   8.0604 3.181084 11.21958 
1 1 1    3   10   33 o   70.690   4.0019  598.149   66.527  586.900   94.078  609.400   94.089   69.508   5.7843   70.875   5.6694 -1.366280 8.099380 
1 1 1    3   10   34 o   36.881   2.3177  161.908   20.082  178.100   28.481  145.900   28.320   38.560   3.1556   34.815   3.4918 3.745438 4.706399 
1 1 1    3   10   35 o   48.570   2.8720  281.699   32.793  316.500   46.410  247.000   46.343   51.269   3.8619   45.116   4.4062 6.152946 5.859094 
1 1 1    3   10   36 o   73.916   4.2082  659.460   73.147  689.600  103.429  629.300  103.462   74.818   5.9022   71.297   6.2073 3.521698 8.565438 
1 1 1    3   10   37 o   86.365   4.8894  908.969   99.305  936.300  140.389  881.600  140.489   86.316   6.9466   83.565   7.1896 2.751114 9.997249 
1 1 1    3   10   38 o   63.344   3.5820  483.460   53.359  533.300   75.529  433.800   75.393   65.984   4.8822   59.209   5.4537 6.774666 7.319721 
1 1 1    3   10   39 o   55.809   3.2893  375.240   43.156  391.900   61.050  358.600   61.014   56.503   4.6160   53.930   4.8427 2.572441 6.690213 
1 1 1    3   10   40 o   27.092   2.0143   87.784   12.794   90.800   18.143   84.800   18.045   27.384   2.8474   26.432   2.9409 0.9521198 4.093499 
1 1 1    3   10   41 o   24.171   1.9020   69.973   10.768   75.700   15.264   64.300   15.192   24.992   2.6257   22.953   2.8654 2.039419 3.886527 
1 1 1    3   10   42 o   44.934   2.7034  244.154   28.552  280.200   40.432  208.300   40.324   47.717   3.6152   40.784   4.2495 6.932526 5.579234 
1 1 1    3   10   43 o   40.884   2.6007  202.429   24.977  210.100   35.371  194.800   35.274   41.149   3.6790   39.534   3.8264 1.615093 5.308126 
1 1 1    3   10   44 o   30.388   2.1704  111.453   15.472  116.900   21.875  106.000   21.886   30.809   3.0467   29.253   3.2217 1.555901 4.434160 
1 1 1    3   10   45 o   12.629   1.6573   19.352   4.8231   19.200   6.8565   19.500   6.7858   12.406   2.4274   12.515   2.3831 -0.1091757 3.401702 
1 1 1    3   10   46 o   10.314   1.6781   13.026   3.9467   11.900   5.6482   14.100   5.5169   9.7303   2.4576   10.620   2.2689 -0.8892918 3.344778 
1 1 1    3   10   47 o   14.858   1.6917   26.738   5.8293   28.900   8.2669   24.600   8.2209   15.282   2.3675   14.016   2.5790 1.265726 3.500886 
1 1 1    3   10   48 o   17.151   1.7585   35.673   7.0210   32.700   9.9685   38.600   9.8905   16.122   2.7149   17.643   2.4392 -1.520910 3.649731 
1 1 1    3   10   49 o   12.059   1.6779   17.796   4.6485   19.800   6.5809   15.800   6.5670   12.558   2.3042   11.129   2.5532 1.428864 3.439176 
1 1 1    3   10   50 o   5.1791   1.7763   2.9883   2.6196   4.3000   3.4102   1.1000   4.0917   6.0838   2.0268   5.0946   2.1013 0.9892249 2.919455 
1 1 1    3   10   51 o   18.056   2.6188   41.400   10.840   41.400   10.840   0.0000   0.0000   18.056   2.6188  ?   ?  0.000000 2.618778 
1 1 1    3   10   52 o   9.2021   2.3936   10.900   5.2505   10.900   5.2505   0.0000   0.0000   9.2021   2.3936  ?   ?  0.000000 2.393616 
1 1 1    3   10   53 o   23.469   2.9123   71.500   15.793   71.500   15.793   0.0000   0.0000   23.469   2.9123  ?   ?  0.000000 2.912292 
1 1 1    3   10   54 o   7.7491   2.4164   7.7000   4.9002   7.7000   4.9002   0.0000   0.0000   7.7491   2.4164  ?   ?  0.000000 2.416356 
1 1 1    3   10   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11    1 o  328.688   16.982 12973.17  1313.58 14699.40  1860.48 11257.30  1854.90  347.654   22.789  302.587   26.219 45.06693 34.73893 
1 1 1    3   11    2 o  139.558   7.4106  2312.18  243.340  2172.50  343.982  2452.10  344.287  134.825   10.898  143.387   10.236 -8.562256 14.95076 
1 1 1    3   11    3 o  246.070   12.910  7224.16  747.545  6963.30  1055.20  7487.00  1059.18  240.189   18.753  249.283   18.117 -9.094223 26.07546 
1 1 1    3   11    4 o  205.964   10.756  5048.29  521.305  4801.70  735.882  5296.70  738.599  199.956   15.712  210.226   14.976 -10.26993 21.70597 
1 1 1    3   11    5 f   21.007   1.8192   52.502   8.9350   52.900   12.603   52.100   12.669   21.004   2.5962   20.838   2.6336 0.1666775 3.698104 
1 1 1    3   11    6 o  156.557   7.6836  2901.20  284.053  2441.60  400.307  3367.30  403.132  142.872   11.976  168.199   10.198 -25.32651 15.72969 
1 1 1    3   11    7 o  344.966   18.617 14299.76  1510.90 14702.40  2133.40 13894.60  2140.07  346.866   26.241  336.754   27.143 10.11163 37.75324 
1 1 1    3   11    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11    9 o  433.139   34.179 23452.00  3467.37   0.0000   0.0000 23452.00  3467.37  ?   ?   433.139   34.179 0.000000 34.17852 
1 1 1    3   11   10 o  369.389   19.041 16428.66  1655.23 15056.60  2336.19 17811.70  2345.53  349.369   28.568  381.425   26.201 -32.05597 38.76331 
1 1 1    3   11   11 o  394.564   30.987 19365.30  2863.82 19365.30  2863.82   0.0000   0.0000  394.564   30.987  ?   ?  0.000000 30.98656 
1 1 1    3   11   12 o   32.076   2.0990  122.026   15.811   98.600   22.278  145.800   22.442   28.695   3.3509   35.027   2.7350 -6.332529 4.325352 
1 1 1    3   11   13 o  239.606   12.820  6862.83  722.716  6955.20  1020.83  6770.00  1023.32  239.749   18.167  236.420   18.477 3.329147 25.91189 
1 1 1    3   11   14 o  284.810   15.392  9757.15  1031.33 10282.70  1457.48  9230.10  1459.56  289.935   21.440  274.010   22.764 15.92480 31.27107 
1 1 1    3   11   15 o  330.562   16.420 13172.37  1281.71 11485.20  1807.48 14878.80  1817.77  303.418   25.463  347.718   22.255 -44.30008 33.81796 
1 1 1    3   11   16 o   73.987   4.2369  649.447   73.714  706.400  104.068  592.100  104.428   77.022   5.7637   70.407   6.3495 6.615631 8.575288 
1 1 1    3   11   17 f   51.168   3.0657  310.526   36.871  317.900   52.053  303.100   52.235   51.662   4.3061   50.423   4.4320 1.238972 6.179416 
1 1 1    3   11   18 o  137.511   7.4681  2253.59  241.590  2314.90  341.119  2191.90  342.203  138.756   10.488  134.916   10.833 3.840042 15.07830 
1 1 1    3   11   19 o  282.478   15.113  9725.41  1004.45  9378.30  1418.30 10074.70  1422.73  272.494   22.236  283.121   21.440 -10.62659 30.88851 
1 1 1    3   11   20 o  150.050   8.1112  2690.35  286.330  2817.10  404.777  2563.40  405.086  152.712   11.305  145.458   11.898 7.253967 16.41230 
1 1 1    3   11   21 o   41.398   2.6032  203.356   25.318  192.300   35.815  214.400   35.795   40.131   3.8257   42.418   3.6079 -2.287254 5.258572 
1 1 1    3   11   22 o   63.004   3.5942  471.188   53.252  483.000   75.347  459.400   75.272   63.628   5.0565   62.027   5.1868 1.601261 7.243689 
1 1 1    3   11   23 o  175.302   9.3559  3692.91  385.890  3564.90  545.428  3821.20  546.035  170.555   13.657  176.837   13.171 -6.281967 18.97354 
1 1 1    3   11   24 o  268.066   14.645  8834.76  923.496  8881.20  1305.93  8788.30  1306.11  263.184   21.193  261.670   21.323 1.513916 30.06390 
1 1 1    3   11   25 o   97.113   5.2717  1122.65  120.438  1160.00  170.441  1085.40  170.209   98.339   7.3940   95.053   7.6479 3.285248 10.63774 
1 1 1    3   11   26 o  123.318   6.6633  1817.39  193.315  1786.20  273.359  1848.60  273.417  121.467   9.6089  123.636   9.4365 -2.168671 13.46766 
1 1 1    3   11   27 o   40.067   2.4471  190.505   23.041  162.700   32.529  218.500   32.641   36.869   3.7904   42.845   3.2505 -5.976204 4.993270 
1 1 1    3   11   28 f   96.548   5.2455  1111.75  119.141  1027.40  168.443  1196.20  168.540   92.231   7.8074   99.726   7.2055 -7.494614 10.62430 
1 1 1    3   11   29 o   41.862   2.5859  208.123   25.437  187.800   35.949  228.500   35.997   39.600   3.8948   43.768   3.5125 -4.168262 5.244748 
1 1 1    3   11   30 o  182.335   9.9885  4087.25  428.428  4234.30  605.993  3940.30  605.785  181.979   14.215  174.960   14.802 7.019547 20.52202 
1 1 1    3   11   31 o  111.896   6.1177  1508.73  161.033  1460.30  227.701  1557.20  227.770  108.846   8.9380  112.576   8.6339 -3.729507 12.42709 
1 1 1    3   11   32 o   56.349   3.2942  378.550   43.642  378.800   61.762  378.300   61.677   56.088   4.7068   56.052   4.7033 0.3646469E-01 6.653926 
1 1 1    3   11   33 o  113.186   6.1620  1557.92  164.075  1708.30  232.135  1407.80  231.940  117.068   8.4542  105.564   9.4030 11.50353 12.64472 
1 1 1    3   11   34 o   36.531   2.3793  158.984   20.413  167.300   28.895  150.700   28.841   37.327   3.3127   35.376   3.4983 1.950539 4.817896 
1 1 1    3   11   35 o   36.686   2.4102  160.506   20.763  169.700   29.353  151.300   29.373   37.558   3.3447   35.401   3.5621 2.156761 4.886275 
1 1 1    3   11   36 o   47.450   2.8390  269.153   31.663  292.200   44.825  246.200   44.732   49.187   3.8910   45.022   4.2582 4.165447 5.768209 
1 1 1    3   11   37 o   42.748   2.6547  218.486   26.665  239.100   37.723  197.900   37.698   44.496   3.6217   40.349   4.0097 4.147259 5.403165 
1 1 1    3   11   38 o   87.866   4.8608  944.378  100.461  1028.50  142.176  860.500  141.971   90.311   6.7149   82.005   7.4117 8.306648 10.00116 
1 1 1    3   11   39 o   48.544   2.9576  283.208   33.742  276.400   47.745  290.000   47.691   47.493   4.3041   48.702   4.1876 -1.209335 6.005113 
1 1 1    3   11   40 o   54.962   3.2186  365.198   41.590  406.600   58.855  323.900   58.781   57.450   4.3712   50.941   4.9491 6.509056 6.603050 
1 1 1    3   11   41 o   43.129   2.7035  224.342   27.393  237.000   38.752  211.700   38.729   43.904   3.7746   41.370   4.0150 2.534031 5.510695 
1 1 1    3   11   42 o   24.393   1.9097   71.424   10.912   79.500   15.457   63.400   15.407   25.573   2.5957   22.711   2.9420 2.861786 3.923389 
1 1 1    3   11   43 o   45.851   2.8295  255.774   30.486  283.800   43.133  227.800   43.094   47.714   3.8614   42.407   4.3658 5.306728 5.828390 
1 1 1    3   11   44 o   18.969   1.7685   43.346   7.8302   44.300   11.097   42.400   11.050   18.985   2.5390   18.550   2.5935 0.4342613 3.629458 
1 1 1    3   11   45 o   20.713   1.8028   51.686   8.7298   56.800   12.362   46.600   12.329   21.540   2.4755   19.394   2.7711 2.146061 3.715765 
1 1 1    3   11   46 o   15.230   1.7061   28.062   6.0303   27.100   8.5818   29.000   8.4754   14.749   2.5568   15.305   2.4260 -0.5568056 3.524589 
1 1 1    3   11   47 o   5.9216   1.7007   4.2949   2.5035   2.3000   3.6323   6.1000   3.4552   5.3219   2.0490   7.0279   1.9912 -1.706003 2.857134 
1 1 1    3   11   48 o   18.544   1.7926   41.708   7.7520   40.700   11.009   42.700   10.917   18.035   2.6654   18.518   2.5656 -0.4825516 3.699559 
1 1 1    3   11   49 o   17.372   1.7492   36.693   7.0782   48.700   10.034   24.800   9.9863   19.896   2.1709   13.807   3.1347 6.089848 3.813005 
1 1 1    3   11   50 o   8.2444   1.8479   8.5472   3.5085   8.0000   4.6105   9.3000   5.4079   7.9741   2.3132   8.5730   2.5105 -0.5989947 3.413676 
1 1 1    3   11   51 o   6.1623   2.1231   4.3000   3.7445   4.3000   3.7445   0.0000   0.0000   6.1623   2.1231  ?   ?  0.000000 2.123090 
1 1 1    3   11   52 o   13.181   2.4933   22.300   7.4760   22.300   7.4760   0.0000   0.0000   13.181   2.4933  ?   ?  0.000000 2.493253 
1 1 1    3   11   53 o   24.598   2.9945   79.200   17.034   79.200   17.034   0.0000   0.0000   24.598   2.9945  ?   ?  0.000000 2.994481 
1 1 1    3   11   54 o   7.1436   2.3322   6.4000   4.5237   6.4000   4.5237   0.0000   0.0000   7.1436   2.3322  ?   ?  0.000000 2.332212 
1 1 1    3   11   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   11   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   12    0 o  171.100   13.209  3530.50  526.371  3530.50  526.371  3530.50  526.371  171.100   13.209  171.100   13.209 0.000000 0.000000 
1 1 1    3   12    1 o  104.588   5.1697  1292.98  127.674  1556.20  180.913  1031.80  180.208  114.499   6.7207   92.979   8.2949 21.51991 10.67576 
1 1 1    3   12    2 o   76.409   4.3337  692.084   77.871  777.200  110.039  606.700  110.213   80.868   5.8010   71.312   6.6205 9.556023 8.802421 
1 1 1    3   12    3 o  154.233   8.2293  2824.65  298.630  2811.60  421.590  2837.80  423.066  153.426   11.725  154.146   11.710 -0.7196960 16.57165 
1 1 1    3   12    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   12    5 o  276.013   14.262  9097.04  926.399  8505.20  1307.47  9693.70  1312.80  265.092   21.060  283.520   19.732 -18.42761 28.85974 
1 1 1    3   12    6 o  407.177   31.871 20551.40  3039.95 20551.40  3039.95   0.0000   0.0000  407.177   31.871  ?   ?  0.000000 31.87135 
1 1 1    3   12    7 o   35.688   2.3342  151.059   19.562  143.600   27.590  158.600   27.742   34.699   3.4113   36.498   3.2530 -1.799000 4.713720 
1 1 1    3   12    8 o  222.517   11.344  5895.87  594.066  7182.10  840.835  4613.90  839.438  245.008   14.600  195.328   18.417 49.67993 23.50188 
1 1 1    3   12    9 o  318.870   17.238 12210.29  1293.17 12882.20  1827.21 11536.00  1830.44  325.045   23.975  306.867   25.491 18.17770 34.99441 
1 1 1    3   12   10 o  128.555   6.9246  1961.63  209.432  1971.00  295.734  1952.20  296.633  128.521   9.8189  127.892   9.8994 0.6291199 13.94309 
1 1 1    3   12   11 o  324.583   17.489 12679.12  1335.48 14828.30  1888.33 10528.50  1888.97  348.718   23.062  291.451   27.784 57.26773 36.10807 
1 1 1    3   12   12 o  174.925   9.4243  3642.01  387.845  3783.10  547.889  3500.30  549.103  177.626   13.156  170.701   13.739 6.924759 19.02198 
1 1 1    3   12   13 o  383.577   21.000 17932.76  1894.90 18730.40  2677.19 17132.00  2682.41  386.206   29.581  368.088   31.153 18.11823 42.96017 
1 1 1    3   12   14 o  444.761   24.274 24472.66  2539.76 24063.00  3586.79 24884.60  3596.75  429.924   35.652  437.876   35.080 -7.951721 50.01697 
1 1 1    3   12   15 o  428.143   23.490 22737.08  2365.80 22515.30  3340.74 22960.20  3350.77  414.885   34.410  419.299   34.139 -4.414032 48.47189 
1 1 1    3   12   16 o  103.705   5.4698  1277.07  133.475  1190.40  188.193  1364.80  189.337   99.772   8.0566  106.953   7.5453 -7.180222 11.03811 
1 1 1    3   12   17 o  253.968   13.807  7800.01  824.902  8187.90  1165.75  7411.00  1167.43  257.357   19.324  244.131   20.439 13.22588 28.12749 
1 1 1    3   12   18 o   94.040   4.7791  1049.81  105.776  902.700  149.019  1199.20  150.166   86.842   7.3355  100.326   6.3717 -13.48374 9.716401 
1 1 1    3   12   19 o   64.664   3.7052  496.222   56.340  498.900   79.352  493.500   80.006   64.673   5.2411   64.311   5.3160 0.3627319 7.465214 
1 1 1    3   12   20 o   56.273   3.1867  375.631   42.171  341.800   59.490  409.800   59.787   53.506   4.7582   58.672   4.3462 -5.166737 6.444353 
1 1 1    3   12   21 o  171.915   9.3507  3547.86  378.168  3625.10  533.733  3470.00  535.894  172.390   13.212  168.488   13.585 3.901962 18.95000 
1 1 1    3   12   22 o  106.607   5.7966  1353.36  145.375  1464.40  205.585  1242.30  205.596  110.511   7.9309  101.585   8.6533 8.926117 11.73794 
1 1 1    3   12   23 o   79.368   4.4468  748.648   83.004  831.700  117.352  665.500  117.419   83.456   5.9948   74.482   6.7495 8.974136 9.027366 
1 1 1    3   12   24 o  119.829   6.4697  1713.22  182.389  1813.10  257.979  1613.40  257.894  122.706   8.9655  115.563   9.5358 7.142647 13.08858 
1 1 1    3   12   25 o  102.281   5.5718  1246.40  134.063  1236.70  189.594  1256.10  189.594  101.402   7.9825  102.214   7.9168 -0.8120651 11.24266 
1 1 1    3   12   26 o  165.978   8.9229  3317.46  348.436  3184.20  492.685  3450.80  492.842  160.808   13.088  167.723   12.534 -6.914978 18.12223 
1 1 1    3   12   27 o   33.092   2.2437  130.050   17.429  129.700   24.639  130.400   24.658   32.947   3.2076   33.038   3.2008 -0.9056854E-01 4.531452 
1 1 1    3   12   28 o  110.698   6.0248  1465.85  156.894  1460.70  221.880  1471.00  221.883  109.760   8.6303  110.160   8.5979 -0.4000244 12.18218 
1 1 1    3   12   29 o   89.600   4.9336  958.595  103.983  912.700  147.046  1004.50  147.062   86.863   7.2347   91.256   6.8751 -4.393219 9.980377 
1 1 1    3   12   30 o   66.426   3.7659  525.688   58.827  541.800   83.223  509.600   83.163   67.150   5.2914   65.073   5.4627 2.076141 7.605251 
1 1 1    3   12   31 o  153.674   8.3734  2896.82  302.709  2785.60  427.759  3008.40  428.433  147.456   12.400  153.744   11.894 -6.288437 17.18199 
1 1 1    3   12   32 o   34.283   2.2889  139.842   18.423  119.500   26.049  160.200   26.059   31.491   3.5659   36.604   3.0424 -5.113216 4.687408 
1 1 1    3   12   33 o   80.389   4.5374  777.235   85.780  799.300  121.214  755.100  121.408   80.804   6.4052   78.431   6.6172 2.372932 9.209422 
1 1 1    3   12   34 o   29.310   2.0987  102.346   14.429  105.400   20.419   99.300   20.392   29.617   2.9593   28.722   3.0535 0.8951244 4.252240 
1 1 1    3   12   35 o   73.319   4.1485  647.937   71.529  679.000  101.178  616.900  101.135   74.344   5.8095   70.693   6.1188 3.651085 8.437426 
1 1 1    3   12   36 o   36.659   2.3827  160.379   20.514  167.700   29.053  153.100   28.969   37.304   3.3333   35.594   3.4915 1.709892 4.827157 
1 1 1    3   12   37 o   59.166   3.4634  421.156   48.177  446.800   68.124  395.500   68.140   60.434   4.8137   56.696   5.1457 3.737999 7.046269 
1 1 1    3   12   38 o   47.710   2.8870  273.026   32.372  284.900   45.827  261.200   45.734   48.382   4.0484   46.247   4.2350 2.135143 5.858736 
1 1 1    3   12   39 o   63.907   3.5470  493.959   53.316  566.500   75.500  421.800   75.301   67.832   4.7434   58.035   5.5629 9.796986 7.310712 
1 1 1    3   12   40 o   45.625   2.7973  250.721   29.992  263.100   42.464  238.400   42.365   46.311   3.9199   43.979   4.1277 2.332264 5.692434 
1 1 1    3   12   41 o   22.515   1.8516   60.778   9.7572   65.800   13.830   55.800   13.768   23.279   2.5580   21.355   2.7977 1.924356 3.790838 
1 1 1    3   12   42 o   17.575   1.7212   37.138   7.0514   40.900   9.9887   33.400   9.9557   18.314   2.3650   16.451   2.6531 1.863552 3.554180 
1 1 1    3   12   43 o   32.542   2.2333  127.776   17.057  137.200   24.153  118.400   24.093   33.404   3.0973   30.904   3.3553 2.499537 4.566356 
1 1 1    3   12   44 o   30.625   2.1591  113.227   15.514  120.600   21.975  105.900   21.905   31.295   3.0109   29.218   3.2289 2.076828 4.414868 
1 1 1    3   12   45 o   23.439   1.9078   66.245   10.468   76.500   14.807   56.000   14.800   25.007   2.5429   21.189   3.0455 3.817820 3.967560 
1 1 1    3   12   46 o   40.345   2.5644  198.434   24.303  228.300   34.409  168.700   34.332   42.765   3.4364   36.328   4.0723 6.437271 5.328439 
1 1 1    3   12   47 o   27.810   2.0721   93.783   13.510  105.500   19.120   82.100   19.092   29.196   2.8080   25.529   3.2400 3.667204 4.287473 
1 1 1    3   12   48 o   32.484   2.2753  128.993   17.343  122.000   24.514  136.000   24.539   30.942   3.4119   32.821   3.2072 -1.878946 4.682587 
1 1 1    3   12   49 o   4.8249   1.6602   2.5613   2.2894   5.5000   3.2051  -0.5000   3.2713   6.6659   1.9272   4.1217   1.7947 2.544194 2.633411 
1 1 1    3   12   50 o  ?   ?   -4.1598   0.5872  -4.7000   0.6030   5.7000   2.5762  ?   ?    6.7450   1.6346 0.000000 1.634579 
1 1 1    3   12   51 f   10.541   2.4507   14.300   5.9846   14.300   5.9846   0.0000   0.0000   10.541   2.4507  ?   ?  0.000000 2.450675 
1 1 1    3   12   52 o   5.9155   2.1052   3.8000   3.7010   3.8000   3.7010   0.0000   0.0000   5.9155   2.1052  ?   ?  0.000000 2.105155 
1 1 1    3   12   53 o   15.189   2.6592   30.100   9.1900   30.100   9.1900   0.0000   0.0000   15.189   2.6592  ?   ?  0.000000 2.659221 
1 1 1    3   12   54 o   15.790   2.7244   33.400   9.7912   33.400   9.7912   0.0000   0.0000   15.790   2.7244  ?   ?  0.000000 2.724395 
1 1 1    3   12   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   12   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   13    0 o  303.556   23.407 11196.80  1654.86 11196.80  1654.86 11196.80  1654.86  303.556   23.407  303.556   23.407 -0.000000 0.000000 
1 1 1    3   13    1 o  379.769   29.532 17759.70  2627.56 17759.70  2627.56   0.0000   0.0000  379.769   29.532  ?   ?  0.000000 29.53249 
1 1 1    3   13    2 o  422.169   33.028 22148.40  3266.29 22148.40  3266.29   0.0000   0.0000  422.169   33.028  ?   ?  0.000000 33.02794 
1 1 1    3   13    3 o  334.337   25.739 13652.00  2016.43 13652.00  2016.43   0.0000   0.0000  334.337   25.739  ?   ?  0.000000 25.73874 
1 1 1    3   13    4 o  287.750   15.026  9899.81  1017.46  9414.70  1436.48 10388.20  1441.34  278.597   22.015  293.080   20.965 -14.48285 30.40039 
1 1 1    3   13    5 o  320.907   17.053 12351.55  1287.60 12227.50  1818.38 12476.30  1823.52  316.681   24.507  319.982   24.316 -3.301239 34.52322 
1 1 1    3   13    6 o  225.003   11.812  6032.07  625.384  5833.40  882.708  6232.30  886.155  220.157   17.114  227.728   16.593 -7.570847 23.83734 
1 1 1    3   13    7 o  283.621   15.211  9628.17  1015.00 11081.70  1435.17  8173.60  1435.69  302.820   20.186  258.670   23.771 44.15042 31.18524 
1 1 1    3   13    8 o  119.207   6.2124  1685.52  174.266  1907.80  246.719  1464.20  246.182  126.632   8.2967  110.712   9.5090 15.92062 12.61968 
1 1 1    3   13    9 o  361.366   19.680 15771.17  1673.01 17171.90  2364.50 14366.90  2367.50  373.514   26.990  339.973   29.791 33.54028 40.19917 
1 1 1    3   13   10 o  136.899   7.3372  2225.65  236.327  2216.40  333.305  2235.00  335.135  136.210   10.442  136.781   10.455 -0.5712585 14.77670 
1 1 1    3   13   11 o  244.475   12.986  7147.96  746.993  7065.10  1054.58  7231.40  1058.24  241.426   18.643  244.323   18.479 -2.896820 26.24941 
1 1 1    3   13   12 o  218.766   11.484  5716.59  591.184  5472.20  834.508  5962.80  837.622  212.640   16.755  222.234   16.070 -9.593948 23.21613 
1 1 1    3   13   13 o  372.547   18.872 16875.08  1654.79 14907.60  2333.59 18865.10  2346.92  343.371   29.053  389.257   25.677 -45.88538 38.77364 
1 1 1    3   13   14 o   52.566   3.0500  327.604   37.696  310.300   53.088  345.200   53.534   51.029   4.4503   53.863   4.2434 -2.834538 6.149068 
1 1 1    3   13   15 o  139.850   7.5740  2328.77  249.189  2396.90  351.959  2260.30  352.856  141.320   10.625  137.133   10.989 4.187454 15.28537 
1 1 1    3   13   16 o  101.284   5.5583  1218.94  132.428  1239.10  186.871  1198.60  187.695  101.805   7.8335  100.089   8.0086 1.716164 11.20278 
1 1 1    3   13   17 o  345.976   19.405 14827.44  1578.91 15927.20  2230.80 13723.50  2235.03  350.952   27.129  322.984   29.635 27.96802 40.17773 
1 1 1    3   13   18 o   95.343   5.2238  1080.37  117.160  1058.70  165.560  1102.10  165.820   94.047   7.5178   95.992   7.3717 -1.945282 10.52897 
1 1 1    3   13   19 o  214.423   11.573  5547.71  583.800  5490.80  825.715  5604.60  825.521  210.887   16.718  213.175   16.529 -2.288330 23.50955 
1 1 1    3   13   20 o  216.819   11.919  5688.60  607.915  5980.10  858.470  5395.40  860.979  219.823   16.662  208.141   17.685 11.68230 24.29789 
1 1 1    3   13   21 o  464.097   47.868 34994.90  5170.52 34994.90  5170.52   0.0000   0.0000  464.097   47.868  ?   ?  0.000000 47.86779 
1 1 1    3   13   22 o  165.505   9.0375  3288.78  351.866  3627.60  497.339  2949.20  497.890  172.663   12.278  155.004   13.745 17.65851 18.43061 
1 1 1    3   13   23 o   57.595   3.4170  393.844   46.265  450.400   65.374  337.100   65.483   61.485   4.5347   53.040   5.2992 8.445007 6.974625 
1 1 1    3   13   24 o   17.000   1.6918   34.479   6.7014   42.100   9.4901   26.900   9.4643   18.748   2.1846   14.840   2.8035 3.907967 3.554208 
1 1 1    3   13   25 f   80.066   4.4577  762.365   83.945  823.900  118.702  700.800  118.732   82.994   6.0996   76.409   6.6467 6.585022 9.021258 
1 1 1    3   13   26 f  163.432   8.8091  3218.03  338.708  3332.60  479.043  3103.50  478.967  164.729   12.406  158.692   12.893 6.037384 17.89275 
1 1 1    3   13   27 o   70.980   3.9970  599.202   66.721  619.000   94.354  579.400   94.362   71.901   5.6015   69.512   5.8018 2.388222 8.064606 
1 1 1    3   13   28 o   97.808   5.2034  1142.06  119.744  1018.90  169.211  1265.60  169.476   91.700   7.8913  102.520   7.0434 -10.82073 10.57741 
1 1 1    3   13   29 o   20.216   1.6718   48.635   7.9092   33.500   11.144   64.000   11.228   16.570   2.9564   23.171   2.0739 -6.600822 3.611275 
1 1 1    3   13   30 o   92.807   5.0720  1031.91  110.732  992.700  156.420  1071.30  156.779   90.285   7.4020   93.916   7.1225 -3.630852 10.27230 
1 1 1    3   13   31 o   23.695   1.9008   66.850   10.546   67.000   14.904   66.700   14.923   23.618   2.7223   23.562   2.7329 0.5530357E-01 3.857438 
1 1 1    3   13   32 o   78.596   4.3934  741.234   81.212  767.700  114.885  714.800  114.818   79.380   6.1776   76.487   6.4164 2.893112 8.906909 
1 1 1    3   13   33 o   89.726   5.0055  972.652  105.631  958.000  149.395  987.300  149.374   87.958   7.2576   89.368   7.1379 -1.409683 10.17955 
1 1 1    3   13   34 o   58.223   3.3985  406.051   46.522  402.300   65.801  409.800   65.782   57.517   4.8913   58.071   4.8413 -0.5543861 6.882051 
1 1 1    3   13   35 o   35.655   2.3562  151.645   19.726  153.100   27.941  150.200   27.852   35.641   3.3597   35.293   3.3835 0.3472443 4.768140 
1 1 1    3   13   36 o   24.080   1.9211   69.201   10.833   68.500   15.334   69.900   15.307   23.819   2.7784   24.071   2.7418 -0.2521477 3.903461 
1 1 1    3   13   37 o   42.684   2.6748  218.003   26.823  212.800   37.943  223.200   37.925   41.864   3.8824   42.912   3.7813 -1.048222 5.419500 
1 1 1    3   13   38 o   53.691   3.1902  346.897   40.265  359.500   56.951  334.300   56.935   54.168   4.4930   52.145   4.6734 2.022594 6.482891 
1 1 1    3   13   39 o   38.325   2.4861  176.101   22.377  174.600   31.660  177.600   31.632   37.852   3.5848   38.191   3.5481 -0.3384819 5.043808 
1 1 1    3   13   40 o  106.936   6.1322  1468.48  154.201  1616.30  218.202  1321.00  217.945  108.091   8.6205   95.739   9.7776 12.35243 13.03513 
1 1 1    3   13   41 o   2.9533   1.1958   0.4220   1.2954  -0.1000   2.1976   0.7000   1.6037   3.4967   1.4961   3.3812   1.3435 0.1155567 2.010839 
1 1 1    3   13   42 o   34.915   2.3058  146.953   18.904  163.000   26.773  131.000   26.695   36.471   3.1394   32.506   3.5348 3.964298 4.727621 
1 1 1    3   13   43 o   26.966   2.0333   87.600   12.852   82.100   18.176   93.100   18.176   25.784   3.0438   27.554   2.8338 -1.769787 4.158789 
1 1 1    3   13   44 f   27.919   2.0775   94.052   13.598   86.400   19.234  101.700   19.228   26.386   3.1491   28.767   2.8688 -2.380487 4.259967 
1 1 1    3   13   45 o   33.834   2.3214  138.750   18.435  165.100   26.070  112.400   26.070   36.592   3.0448   29.792   3.7918 6.800508 4.862969 
1 1 1    3   13   46 o   7.1234   1.7103   6.3092   2.8405   8.0000   4.0063   4.6000   4.0281   8.0076   2.0947   6.4315   2.2027 1.576111 3.039692 
1 1 1    3   13   47 o   27.101   2.0600   89.153   13.084   96.100   18.501   82.200   18.508   27.803   2.8586   25.567   3.1310 2.236927 4.239696 
1 1 1    3   13   48 o   28.596   2.1275   99.750   14.263  109.400   20.171   90.100   20.171   29.543   2.9301   26.592   3.2819 2.950386 4.399600 
1 1 1    3   13   49 o   21.678   1.8795   57.298   9.5259   57.800   13.502   56.800   13.441   21.409   2.7331   21.214   2.7479 0.1955395 3.875684 
1 1 1    3   13   50 o   16.373   1.9130   32.992   7.2564   38.700   9.9471   26.500   10.609   17.527   2.4720   14.139   3.2461 3.388127 4.080231 
1 1 1    3   13   51 o   17.080   2.5875   37.100   10.109   37.100   10.109   0.0000   0.0000   17.080   2.5875  ?   ?  0.000000 2.587455 
1 1 1    3   13   52 o   30.174   3.3275  120.100   23.315  120.100   23.315   0.0000   0.0000   30.174   3.3275  ?   ?  0.000000 3.327521 
1 1 1    3   13   53 o   18.748   2.7822   46.100   11.943   46.100   11.943   0.0000   0.0000   18.748   2.7822  ?   ?  0.000000 2.782191 
1 1 1    3   13   54 o   5.0200   2.0028   1.9000   3.5766   1.9000   3.5766   0.0000   0.0000   5.0200   2.0028  ?   ?  0.000000 2.002753 
1 1 1    3   13   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   14    1 o  267.534   14.532  8556.19  914.619  9420.10  1292.39  7689.40  1294.54  279.345   19.719  251.545   22.016 27.80000 29.55577 
1 1 1    3   14    2 o  249.929   11.972  7423.41  706.535  6223.90  995.636  8640.20  1002.78  227.044   18.738  268.518   15.886 -41.47354 24.56572 
1 1 1    3   14    3 o  168.761   8.9841  3384.63  356.731  3354.60  503.880  3414.80  505.111  167.442   12.842  168.962   12.754 -1.519577 18.09902 
1 1 1    3   14    4 o  257.820   13.150  7931.80  797.898  7233.00  1125.87  8636.90  1130.94  244.558   19.662  267.867   17.984 -23.30904 26.64626 
1 1 1    3   14    5 o  184.309   9.3247  4037.69  404.509  3628.30  570.289  4452.20  573.851  173.938   14.003  193.042   12.659 -19.10379 18.87709 
1 1 1    3   14    6 o  462.689   36.993 27122.00  4007.94 27122.00  4007.94   0.0000   0.0000  462.689   36.993  ?   ?  0.000000 36.99277 
1 1 1    3   14    7 o  343.063   16.154 14082.10  1308.66 11316.00  1844.89 16883.50  1856.62  303.359   26.006  373.326   21.148 -69.96674 33.51895 
1 1 1    3   14    8 o  329.499   16.842 13046.83  1306.06 11158.90  1845.38 14941.60  1848.72  300.885   26.236  350.346   22.465 -49.46149 34.53961 
1 1 1    3   14    9 o  131.159   7.0812  2042.84  218.502  2428.10  308.973  1657.40  309.045  142.765   9.2143  117.523   11.275 25.24120 14.56084 
1 1 1    3   14   10 o  125.145   6.6097  1859.33  194.632  1783.40  274.329  1936.30  276.183  122.178   9.5856  127.388   9.2443 -5.210449 13.31689 
1 1 1    3   14   11 o  106.254   5.6756  1339.80  141.887  1290.70  200.062  1389.50  201.262  103.988   8.2143  107.953   7.9512 -3.965363 11.43221 
1 1 1    3   14   12 o  152.263   7.9316  2758.19  284.192  2595.50  400.674  2922.90  403.155  147.041   11.635  156.223   10.999 -9.182037 16.01051 
1 1 1    3   14   13 o  161.381   8.4793  3102.59  321.996  2915.60  454.698  3290.70  456.048  155.610   12.479  165.553   11.742 -9.942245 17.13497 
1 1 1    3   14   14 o  270.464   14.573  8839.90  927.285  8888.40  1309.98  8791.20  1312.79  268.025   20.862  266.446   21.036 1.578949 29.62701 
1 1 1    3   14   15 o  284.179   15.674  9818.94  1047.74 11140.10  1480.89  8494.80  1482.56  299.323   21.087  258.885   24.545 40.43793 32.35904 
1 1 1    3   14   16 o   97.930   5.3607  1139.64  123.495  1149.10  174.723  1130.20  174.574   98.019   7.6084   97.195   7.6686 0.8241196 10.80250 
1 1 1    3   14   17 o  170.905   9.2095  3496.66  370.294  3288.80  523.745  3704.40  523.604  164.392   13.615  174.836   12.771 -10.44345 18.66695 
1 1 1    3   14   18 o  145.189   7.9848  2518.49  272.701  2774.70  385.250  2261.20  386.067  151.691   10.826  136.491   12.104 15.20009 16.23931 
1 1 1    3   14   19 o   90.657   4.9386  976.829  105.323  954.600  148.548  999.300  149.354   89.299   7.1033   91.401   6.9726 -2.101532 9.953616 
1 1 1    3   14   20 o  198.171   10.572  4733.13  492.934  5744.90  697.241  3722.10  696.987  216.935   13.681  172.674   17.327 44.26112 22.07742 
1 1 1    3   14   21 o   75.820   4.2575  682.934   75.917  802.600  107.348  563.200  107.379   82.048   5.5738   68.484   6.7268 13.56387 8.735950 
1 1 1    3   14   22 o   75.984   4.0841  685.630   73.011  796.800  103.425  575.200  103.081   81.767   5.3867   69.265   6.3739 12.50257 8.345255 
1 1 1    3   14   23 o   98.636   5.6956  1159.37  132.095  1397.80  186.606  919.900  187.015  108.024   7.3593   87.119   9.2314 20.90435 11.80589 
1 1 1    3   14   24 o  126.282   7.0519  1907.35  209.446  2115.30  295.882  1698.50  296.521  132.326   9.5330  118.127   10.748 14.19861 14.36644 
1 1 1    3   14   25 o  204.056   11.300  5065.46  542.385  5310.50  765.946  4819.00  768.154  206.060   15.863  195.587   16.795 10.47318 23.10235 
1 1 1    3   14   26 o  198.427   10.969  4799.56  511.956  5090.80  723.316  4507.20  724.717  201.426   15.322  188.641   16.434 12.78558 22.46835 
1 1 1    3   14   27 o  133.224   7.0368  2130.69  220.586  1985.30  311.565  2276.80  312.348  127.321   10.455  136.718   9.7387 -9.396744 14.28832 
1 1 1    3   14   28 o   17.487   1.7252   36.494   7.0310   38.200   9.9620   34.800   9.9247   17.805   2.4331   16.961   2.5575 0.8442287 3.529978 
1 1 1    3   14   29 o   58.053   3.3673  401.100   45.962  400.300   64.989  401.900   65.011   57.758   4.8087   57.876   4.8003 -0.1174240 6.794614 
1 1 1    3   14   30 o   8.2856   1.6413   8.4025   3.0977   8.3000   4.4371   8.5000   4.3267   8.2384   2.2274   8.3234   2.1767 -0.8503628E-01 3.114388 
1 1 1    3   14   31 o   90.933   5.0405  994.547  107.808  971.600  152.455  1017.50  152.472   88.978   7.3210   91.150   7.1410 -2.172493 10.22696 
1 1 1    3   14   32 o   75.152   4.2387  677.753   74.914  652.300  105.949  703.200  105.938   73.057   6.2001   75.970   5.9530 -2.913071 8.595317 
1 1 1    3   14   33 f   31.063   2.1175  114.894   15.439  127.900   21.882  102.000   21.788   32.673   2.8650   29.086   3.2266 3.586901 4.314985 
1 1 1    3   14   34 o  106.387   5.9061  1387.10  147.788  1458.80  209.077  1315.50  208.930  107.217   8.3234  101.363   8.8167 5.854362 12.12491 
1 1 1    3   14   35 f   35.643   2.3752  151.613   19.876  147.600   28.154  155.600   28.065   34.958   3.4559   35.926   3.3467 -0.9678650 4.810796 
1 1 1    3   14   36 o   87.273   4.9165  929.392  100.908  954.700  142.730  904.100  142.682   87.034   7.0042   84.519   7.2183 2.514717 10.05796 
1 1 1    3   14   37 o   56.084   3.2990  378.340   43.498  387.900   61.549  368.800   61.483   56.279   4.6737   54.814   4.7984 1.464825 6.698390 
1 1 1    3   14   38 o   40.313   2.5708  194.700   24.345  193.500   34.434  195.900   34.425   39.883   3.6984   40.139   3.6726 -0.2562599 5.212108 
1 1 1    3   14   39 o   89.114   5.0799  988.459  106.454  1051.60  150.597  925.400  150.499   89.695   7.1702   83.482   7.7219 6.212936 10.53754 
1 1 1    3   14   40 o   37.501   2.4581  169.148   21.647  170.200   30.635  168.100   30.592   37.263   3.5235   37.023   3.5425 0.2400322 4.996442 
1 1 1    3   14   41 f   12.255   1.6194   18.170   4.5715   19.900   6.5232   16.500   6.4084   12.707   2.2566   11.513   2.4333 1.193829 3.318603 
1 1 1    3   14   42 o   21.448   1.8177   55.287   9.1197   68.500   12.928   42.200   12.866   23.766   2.3338   18.397   3.0699 5.368977 3.856305 
1 1 1    3   14   43 o   36.413   2.3947  160.517   20.476  186.400   28.976  134.700   28.939   38.895   3.1827   32.720   3.8172 6.174595 4.969967 
1 1 1    3   14   44 o   45.153   2.8088  249.018   29.799  272.300   42.172  225.800   42.114   46.544   3.8722   42.063   4.3004 4.480511 5.786861 
1 1 1    3   14   45 o   4.5576   1.5203   2.3383   1.9184   0.9000   2.5855   4.1000   2.8614   4.1797   1.6904   5.8815   1.8485 -1.701740 2.504867 
1 1 1    3   14   46 o   29.320   2.1438  104.204   14.739  117.400   20.841   91.000   20.848   30.810   2.8987   26.885   3.3571 3.925568 4.435353 
1 1 1    3   14   47 f   31.683   2.2400  122.345   16.650  142.100   23.550  102.600   23.544   33.761   2.9848   28.306   3.6041 5.454998 4.679609 
1 1 1    3   14   48 o   33.988   2.3506  141.785   18.750  145.900   26.565  137.700   26.468   33.818   3.3715   32.774   3.4730 1.044659 4.840281 
1 1 1    3   14   49 o   3.8743   1.4614   1.3224   1.8242  -1.2000   2.4432   4.5000   2.7421   3.3003   1.4869   6.0521   1.7920 -2.751807 2.328573 
1 1 1    3   14   50 o   29.567   2.1865  107.806   15.158  105.300   21.253  110.400   21.625   28.541   3.2090   29.251   3.1822 -0.7093220 4.519311 
1 1 1    3   14   51 o   20.448   2.7363   53.400   12.881   53.400   12.881   0.0000   0.0000   20.448   2.7363  ?   ?  0.000000 2.736268 
1 1 1    3   14   52 o   31.114   3.3978  128.700   24.558  128.700   24.558   0.0000   0.0000   31.114   3.3978  ?   ?  0.000000 3.397820 
1 1 1    3   14   53 o   2.8935   1.3140  -1.1000   1.9528  -1.1000   1.9528   0.0000   0.0000   2.8935   1.3140  ?   ?  0.000000 1.313976 
1 1 1    3   14   54 o   8.2429   2.5052   9.1000   5.3079   9.1000   5.3079   0.0000   0.0000   8.2429   2.5052  ?   ?  0.000000 2.505222 
1 1 1    3   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   15    0 o  195.453   15.130  4615.50  688.690  4615.50  688.690  4615.50  688.690  195.453   15.130  195.453   15.130 0.000000 0.000000 
1 1 1    3   15    1 f  463.694   37.060 27227.40  4023.96 27227.40  4023.96   0.0000   0.0000  463.694   37.060  ?   ?  0.000000 37.05985 
1 1 1    3   15    2 o  111.193   5.4079  1461.88  141.994  1200.40  199.913  1728.10  201.719  100.294   8.5219  120.622   7.1135 -20.32813 11.10071 
1 1 1    3   15    3 o  242.895   12.040  7016.38  690.596  6157.50  973.854  7885.20  979.471  225.743   18.430  256.238   16.272 -30.49529 24.58540 
1 1 1    3   15    4 o  390.272   30.563 18939.30  2794.14 18939.30  2794.14   0.0000   0.0000  390.272   30.563  ?   ?  0.000000 30.56341 
1 1 1    3   15    5 o  170.383   9.1511  3452.46  366.833  3551.00  518.235  3353.50  519.327  172.214   12.836  167.251   13.258 4.963150 18.45372 
1 1 1    3   15    6 o  213.907   10.811  5450.46  544.301  4905.60  767.632  6001.40  771.903  201.760   16.250  223.673   14.696 -21.91324 21.90993 
1 1 1    3   15    7 o  218.213   11.402  5679.24  585.497  5427.30  826.213  5933.40  829.836  212.097   16.630  222.009   15.935 -9.912445 23.03227 
1 1 1    3   15    8 o  357.236   17.794 15363.69  1501.03 18262.00  2125.07 12477.90  2120.48  386.130   23.417  315.993   28.732 70.13690 37.06612 
1 1 1    3   15    9 o  289.663   13.041 10020.96  892.025  7669.60  1255.48 12418.10  1267.64  250.152   21.462  320.837   16.790 -70.68504 27.24944 
1 1 1    3   15   10 o  150.005   7.7774  2675.77  274.543  2481.70  387.295  2871.80  389.237  143.826   11.500  154.938   10.704 -11.11224 15.71088 
1 1 1    3   15   11 o  280.030   15.150  9458.08  998.075 11010.30  1411.23  7904.70  1411.75  299.885   20.044  251.892   24.026 47.99329 31.28926 
1 1 1    3   15   12 o  181.319   9.6346  3924.77  411.032  3855.40  579.918  3994.80  582.666  178.662   13.854  181.937   13.662 -3.274704 19.45746 
1 1 1    3   15   13 o  214.423   11.195  5510.80  564.870  5181.90  797.161  5842.50  800.545  206.099   16.519  219.302   15.560 -13.20280 22.69310 
1 1 1    3   15   14 o  283.271   14.820  9728.86  987.877  8805.60  1394.04 10660.20  1400.12  264.980   22.492  293.224   20.347 -28.24496 30.32941 
1 1 1    3   15   15 o  321.718   17.482 12707.81  1323.09 11990.90  1870.04 13426.40  1872.23  305.345   26.189  324.743   24.598 -19.39786 35.92929 
1 1 1    3   15   16 f  176.668   9.6628  3740.57  401.582  4045.20  567.349  3434.70  568.497  182.577   13.250  167.707   14.498 14.86928 19.64049 
1 1 1    3   15   17 o  238.766   12.636  6897.98  709.880  6548.20  1002.18  7250.20  1005.67  229.372   18.665  242.021   17.720 -12.64978 25.73693 
1 1 1    3   15   18 o  192.200   10.511  4446.51  475.250  4783.90  671.501  4107.90  672.711  197.717   14.483  182.547   15.761 15.16969 21.40479 
1 1 1    3   15   19 o   96.674   5.3369  1111.80  121.361  1160.00  171.460  1063.40  171.801   98.415   7.4328   94.135   7.7991 4.280510 10.77366 
1 1 1    3   15   20 o  119.850   6.6454  1713.49  187.335  1862.20  264.545  1563.90  265.319  124.425   9.0663  113.739   9.9795 10.68555 13.48285 
1 1 1    3   15   21 o  138.887   7.6059  2306.92  248.495  2444.50  351.020  2168.70  351.833  142.166   10.531  133.632   11.254 8.533615 15.41324 
1 1 1    3   15   22 o   64.752   3.7319  497.919   56.820  522.500   80.244  473.200   80.469   66.165   5.1773   62.904   5.4719 3.260674 7.532969 
1 1 1    3   15   23 o  127.518   6.8747  1942.94  206.243  2329.50  291.695  1556.50  291.649  139.120   8.9264  112.979   11.074 26.14047 14.22401 
1 1 1    3   15   24 o   77.345   4.0280  710.609   73.313  891.400  103.895  531.300  103.468   86.506   5.1088   66.446   6.6851 20.05959 8.413727 
1 1 1    3   15   25 o  162.384   12.726  3248.50  484.076  3248.50  484.076   0.0000   0.0000  162.384   12.726  ?   ?  0.000000 12.72621 
1 1 1    3   15   26 o   71.877   4.1607  614.799   70.316  663.600   99.241  565.600   99.644   74.438   5.6889   68.588   6.2200 5.850075 8.429229 
1 1 1    3   15   27 o   96.876   5.4258  1121.72  123.621  1170.70  174.438  1072.30  175.217   98.421   7.5636   94.050   7.9644 4.370346 10.98361 
1 1 1    3   15   28 o   65.050   3.7190  503.859   56.888  510.700   80.397  497.000   80.507   65.218   5.2654   64.314   5.3496 0.9035797 7.506196 
1 1 1    3   15   29 o  132.836   7.2592  2140.13  226.841  2115.70  320.660  2164.60  320.942  130.203   10.519  131.788   10.398 -1.584686 14.79069 
1 1 1    3   15   30 o  105.828   5.8518  1351.83  145.668  1404.80  205.942  1298.80  206.069  106.766   8.2321  102.443   8.5982 4.323639 11.90363 
1 1 1    3   15   31 o   56.177   3.2733  376.577   43.233  361.000   61.097  392.200   61.186   54.671   4.7806   57.052   4.5803 -2.380749 6.620679 
1 1 1    3   15   32 o   30.695   2.1647  112.207   15.590  122.300   22.039  102.100   22.056   31.940   2.9557   29.105   3.2654 2.834414 4.404452 
1 1 1    3   15   33 o   72.754   3.9818  636.177   68.148  573.800   96.204  699.000   96.548   68.306   6.0263   75.708   5.4368 -7.402420 8.116289 
1 1 1    3   15   34 o   63.698   3.6774  487.451   55.078  489.000   77.867  485.900   77.918   63.236   5.2624   63.025   5.2844 0.2114067 7.457710 
1 1 1    3   15   35 o   32.963   2.2324  129.626   17.274  120.300   24.398  139.000   24.461   31.547   3.3253   33.987   3.0814 -2.439779 4.533536 
1 1 1    3   15   36 o   66.062   3.7875  526.563   58.837  570.400   83.242  482.800   83.173   68.126   5.2141   62.402   5.7076 5.723412 7.730728 
1 1 1    3   15   37 f   40.797   2.6105  199.320   25.017  217.500   35.361  181.100   35.399   42.374   3.5671   38.528   3.9467 3.846577 5.319841 
1 1 1    3   15   38 o   67.382   3.9112  552.158   61.964  557.200   87.561  547.100   87.701   66.680   5.6132   66.024   5.6805 0.6558456 7.986058 
1 1 1    3   15   39 o   20.602   1.8211   50.857   8.7685   61.900   12.397   39.800   12.404   22.645   2.3526   17.951   3.0345 4.694437 3.839675 
1 1 1    3   15   40 o   37.515   2.4656  169.499   21.721  172.600   30.721  166.400   30.715   37.487   3.5114   36.773   3.5827 0.7137222 5.016547 
1 1 1    3   15   41 o   25.770   1.9703   79.774   11.899   87.800   16.855   71.800   16.800   26.851   2.6947   24.160   3.0100 2.690098 4.040049 
1 1 1    3   15   42 o   44.606   2.7948  242.093   29.289  271.000   41.426  213.200   41.417   46.636   3.7947   40.999   4.3442 5.636799 5.768133 
1 1 1    3   15   43 f   40.888   2.6091  203.178   25.060  225.700   35.457  180.700   35.422   42.597   3.5576   37.814   4.0290 4.782299 5.374931 
1 1 1    3   15   44 o   13.887   1.6803   23.350   5.3978   29.300   7.6337   17.400   7.6337   15.472   2.1474   11.731   2.7955 3.740748 3.525046 
1 1 1    3   15   45 o   24.949   1.9630   75.143   11.471   80.800   16.233   69.500   16.213   25.625   2.7245   23.656   2.9676 1.968924 4.028595 
1 1 1    3   15   46 o   28.126   2.1092   95.967   13.907  108.000   19.653   83.900   19.681   29.531   2.8539   25.789   3.3081 3.742203 4.369025 
1 1 1    3   15   47 o   44.603   2.8442  246.791   29.800  270.800   42.152  222.800   42.136   45.744   3.9408   41.013   4.4208 4.731133 5.922214 
1 1 1    3   15   48 o   35.759   2.4984  157.895   20.964  173.400   29.558  142.200   29.737   36.778   3.4435   32.921   3.9013 3.857784 5.203606 
1 1 1    3   15   49 o   19.390   1.9323   46.082   8.7294   54.500   12.183   37.200   12.514   20.846   2.5265   16.838   3.2652 4.007755 4.128533 
1 1 1    3   15   50 o   16.071   1.7769   31.646   6.6303   31.500   9.2507   31.800   9.5079   15.731   2.5798   15.779   2.6453 -0.4831600E-01 3.694996 
1 1 1    3   15   51 o   30.242   3.2981  119.800   23.170  119.800   23.170   0.0000   0.0000   30.242   3.2981  ?   ?  0.000000 3.298109 
1 1 1    3   15   52 o   12.997   2.5024   21.900   7.4014   21.900   7.4014   0.0000   0.0000   12.997   2.5024  ?   ?  0.000000 2.502430 
1 1 1    3   15   53 o   12.350   2.6323   20.400   7.4418   20.400   7.4418   0.0000   0.0000   12.350   2.6323  ?   ?  0.000000 2.632335 
1 1 1    3   15   54 o   12.160   2.7076   20.500   7.5751   20.500   7.5751   0.0000   0.0000   12.160   2.7076  ?   ?  0.000000 2.707619 
1 1 1    3   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   15   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   16    0 o   41.462   3.8314  208.200   36.775  208.200   36.775  208.200   36.775   41.462   3.8314   41.462   3.8314 -0.000000 0.000000 
1 1 1    3   16    1 o  243.681   12.904  7093.73  739.877  6538.90  1045.76  7649.80  1046.93  232.257   19.241  251.807   17.720 -19.55014 26.15760 
1 1 1    3   16    2 o  448.057   35.946 25514.70  3771.14 25514.70  3771.14   0.0000   0.0000  448.057   35.946  ?   ?  0.000000 35.94587 
1 1 1    3   16    3 o  401.472   19.250 19426.37  1824.92 16066.60  2572.30 22831.10  2589.45  358.425   30.688  431.234   25.543 -72.80988 39.92743 
1 1 1    3   16    4 o  146.440   7.8921  2548.40  271.899  2721.50  384.354  2375.00  384.692  150.925   10.857  140.801   11.676 10.12457 15.94370 
1 1 1    3   16    5 o   52.837   2.9313  330.802   36.429  291.000   51.110  371.900   51.936   49.419   4.4267   55.958   3.9560 -6.538883 5.936792 
1 1 1    3   16    6 o  187.463   10.153  4188.66  447.751  4692.90  632.864  3683.30  633.569  197.735   13.637  174.619   15.527 23.11594 20.66572 
1 1 1    3   16    7 o  340.940   17.534 14049.37  1406.85 12709.20  1985.54 15400.50  1993.65  319.475   26.560  353.478   24.028 -34.00278 35.81589 
1 1 1    3   16    8 o  119.222   6.4328  1688.20  180.429  1677.80  255.191  1698.60  255.140  118.487   9.1927  119.233   9.1313 -0.7460938 12.95713 
1 1 1    3   16    9 o  169.150   9.3262  3411.68  371.072  3738.60  523.958  3082.70  525.597  176.384   12.664  159.737   14.078 16.64761 18.93616 
1 1 1    3   16   10 o  360.954   19.707 15940.25  1673.32 18536.20  2366.18 13343.20  2366.69  384.246   26.235  321.479   31.584 62.76706 41.05890 
1 1 1    3   16   11 o  138.074   7.5485  2269.64  245.182  2545.70  346.497  1992.80  346.984  145.793   10.128  128.612   11.548 17.18047 15.36004 
1 1 1    3   16   12 o  425.570   23.654 22678.93  2367.62 21910.80  3347.63 23447.70  3349.02  404.360   35.417  420.238   34.041 -15.87857 49.12396 
1 1 1    3   16   13 o  246.174   13.170  7315.58  762.821  7722.50  1079.81  6910.20  1077.77  250.385   18.392  236.176   19.500 14.20903 26.80494 
1 1 1    3   16   14 o  161.376   8.6579  3111.72  328.720  3104.70  464.025  3118.80  465.742  160.212   12.361  160.572   12.379 -0.3600311 17.49363 
1 1 1    3   16   15 f   76.801   4.1983  700.076   75.849  654.900  107.002  745.700  107.532   74.039   6.1766   79.090   5.7982 -5.050201 8.471708 
1 1 1    3   16   16 o  285.656   15.808  9995.30  1062.17 10723.10  1500.90  9265.10  1503.37  291.087   21.998  268.839   23.932 22.24777 32.50621 
1 1 1    3   16   17 o  308.663   16.724 11748.15  1214.38 11396.70  1714.34 12102.10  1720.45  296.722   24.691  306.591   23.954 -9.869568 34.40165 
1 1 1    3   16   18 o   82.273   4.6015  804.335   89.038  834.500  125.743  774.000  126.097   83.558   6.4220   80.409   6.7021 3.149033 9.282237 
1 1 1    3   16   19 o   89.845   4.9236  959.697  104.059  1189.00  147.179  730.500  147.145   99.836   6.2750   77.828   8.1264 22.00778 10.26712 
1 1 1    3   16   20 o  129.820   6.8449  2011.17  209.091  2443.60  295.865  1579.70  295.533  142.656   8.8263  113.967   11.123 28.68915 14.19981 
1 1 1    3   16   21 o   77.015   4.0816  704.317   73.963  898.800  104.743  510.900  104.456   86.899   5.1272   65.153   6.8942 21.74564 8.591707 
1 1 1    3   16   22 o  123.079   9.5694  1829.90  275.934  1829.90  275.934   0.0000   0.0000  123.079   9.5694  ?   ?  0.000000 9.569406 
1 1 1    3   16   23 o   81.026   4.6940  781.211   89.426  853.800  126.070  707.700  126.868   84.453   6.3685   76.711   7.0838 7.742477 9.525672 
1 1 1    3   16   24 o   83.694   4.6437  833.542   91.415  1016.40  129.283  650.700  129.278   92.228   5.9683   73.395   7.5678 18.83281 9.638077 
1 1 1    3   16   25 o  187.351   10.473  4271.42  461.492  4626.40  651.674  3914.30  653.627  192.474   14.444  175.952   15.904 16.52235 21.48345 
1 1 1    3   16   26 o  217.363   11.850  5824.81  605.944  5727.90  855.005  5922.60  858.876  210.559   17.351  214.376   17.109 -3.817383 24.36727 
1 1 1    3   16   27 o  159.950   8.9478  3115.54  336.603  3287.10  475.213  2942.80  476.848  161.991   12.520  152.622   13.366 9.369232 18.31418 
1 1 1    3   16   28 o  103.149   5.8130  1278.16  141.011  1356.40  199.031  1199.30  199.810  105.453   8.0537   98.882   8.6442 6.571457 11.81459 
1 1 1    3   16   29 o  168.195   9.1344  3493.68  361.429  3280.20  510.696  3707.90  511.581  158.625   13.771  169.707   12.862 -11.08199 18.84287 
1 1 1    3   16   30 o   49.866   2.8949  296.116   33.942  264.700   47.900  327.800   48.103   46.871   4.3785   52.296   3.9239 -5.425137 5.879434 
1 1 1    3   16   31 o   70.409   3.9936  594.042   66.126  589.900   93.425  598.200   93.606   69.625   5.7334   70.128   5.7020 -0.5023117 8.086121 
1 1 1    3   16   32 o   25.471   1.8795   77.248   11.225   58.700   15.831   96.000   15.918   21.987   3.1381   28.343   2.4008 -6.356222 3.951174 
1 1 1    3   16   33 o  107.997   6.0528  1431.22  153.736  1449.60  217.302  1412.80  217.531  106.577   8.7107  105.084   8.8488 1.493027 12.41681 
1 1 1    3   16   34 o   63.116   3.6486  478.845   54.147  475.000   76.530  482.700   76.620   62.275   5.2533   62.797   5.2142 -0.5225945 7.401671 
1 1 1    3   16   35 f   75.787   4.3450  696.146   77.433  730.200  109.433  662.000  109.580   76.685   6.0935   72.787   6.4421 3.898811 8.867476 
1 1 1    3   16   36 o   33.172   2.2443  131.413   17.477  151.500   24.739  111.400   24.693   35.483   2.9801   30.265   3.5211 5.218300 4.612902 
1 1 1    3   16   37 o  102.310   5.6278  1301.29  135.439  1180.40  191.253  1422.90  191.829   94.235   8.6927  104.605   7.8226 -10.37012 11.69433 
1 1 1    3   16   38 o   46.298   2.8600  258.005   31.114  261.100   43.968  254.900   44.037   46.128   4.0786   45.548   4.1396 0.5802689 5.811257 
1 1 1    3   16   39 o   32.761   2.2471  128.790   17.279  150.400   24.441  107.200   24.430   35.214   2.9669   29.499   3.5806 5.715687 4.650076 
1 1 1    3   16   40 o   22.130   1.8508   58.771   9.5827   64.200   13.589   53.400   13.516   22.977   2.5473   20.861   2.8157 2.116589 3.796955 
1 1 1    3   16   41 o   18.326   1.8355   40.463   7.8360   49.700   11.015   31.000   11.149   20.211   2.3521   15.707   3.1160 4.503310 3.904069 
1 1 1    3   16   42 o   17.273   1.7712   35.982   7.1224   37.400   9.9619   34.500   10.187   17.442   2.4893   16.689   2.6753 0.7530231 3.654260 
1 1 1    3   16   43 o   9.2144   1.9025   10.526   4.0025   13.400   5.3270   6.8000   6.0653   10.362   2.2422   7.8250   2.7017 2.537364 3.510938 
1 1 1    3   16   44 o   16.327   1.7082   32.179   6.4883   35.900   9.2021   28.500   9.1499   17.101   2.3402   15.117   2.6604 1.984134 3.543252 
1 1 1    3   16   45 o   28.514   2.0617   98.288   13.788  113.100   19.541   83.600   19.458   30.328   2.7587   25.830   3.2630 4.498524 4.272936 
1 1 1    3   16   46 o   45.231   2.8638  252.839   30.429  275.300   43.043  230.400   43.023   46.269   3.9782   41.918   4.4128 4.351837 5.941289 
1 1 1    3   16   47 o   26.448   2.0464   85.158   12.681  104.400   17.930   65.900   17.937   29.019   2.6457   22.607   3.4710 6.411810 4.364323 
1 1 1    3   16   48 o   13.885   1.7069   23.559   5.4785   29.200   7.7414   17.900   7.7543   15.324   2.2027   11.761   2.8270 3.562360 3.583872 
1 1 1    3   16   49 o   14.306   1.7214   25.064   5.6987   22.200   7.7689   28.400   8.3846   13.164   2.5914   14.986   2.4543 -1.821680 3.569206 
1 1 1    3   16   50 o   8.5513   1.9646   9.2514   3.8836   14.800   5.2597   2.6000   5.7587   10.818   2.1347   6.2764   2.5282 4.542020 3.308863 
1 1 1    3   16   51 o   12.239   2.4805   19.300   6.9233   19.300   6.9233   0.0000   0.0000   12.239   2.4805  ?   ?  0.000000 2.480515 
1 1 1    3   16   52 o   14.717   2.5819   28.200   8.6453   28.200   8.6453   0.0000   0.0000   14.717   2.5819  ?   ?  0.000000 2.581916 
1 1 1    3   16   53 o   5.3543   2.0707   2.6000   3.7230   2.6000   3.7230   0.0000   0.0000   5.3543   2.0707  ?   ?  0.000000 2.070740 
1 1 1    3   16   54 o   5.9352   2.2044   3.9000   4.1187   3.9000   4.1187   0.0000   0.0000   5.9352   2.2044  ?   ?  0.000000 2.204432 
1 1 1    3   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   17    0 o  175.843   13.649  3737.70  558.890  3737.70  558.890  3737.70  558.890  175.843   13.649  175.843   13.649 0.000000 0.000000 
1 1 1    3   17    1 o  471.490   38.763 28944.50  4277.47   0.0000   0.0000 28944.50  4277.47  ?   ?   471.490   38.763 0.000000 38.76276 
1 1 1    3   17    2 o  232.714   11.038  6445.59  606.540  4816.90  855.002  8095.60  860.580  198.977   18.406  259.789   14.081 -60.81230 23.17411 
1 1 1    3   17    3 o  221.811   11.972  5881.94  624.717  6074.80  882.137  5687.90  884.836  224.104   16.792  216.606   17.447 7.498581 24.21502 
1 1 1    3   17    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   17    5 o  132.698   7.0182  2092.30  219.132  1999.20  309.243  2186.20  310.558  129.237   10.217  135.254   9.7899 -6.016968 14.14990 
1 1 1    3   17    6 o  137.634   6.4297  2243.68  208.968  1788.50  294.036  2708.20  297.037  122.158   10.289  150.816   8.3736 -28.65826 13.26587 
1 1 1    3   17    7 o  233.630   12.705  6547.62  698.260  6852.60  985.998  6240.80  988.985  237.289   17.725  226.008   18.699 11.28073 25.76493 
1 1 1    3   17    8 o  166.674   8.9087  3311.65  349.354  3326.60  494.057  3296.70  494.065  166.240   12.681  165.472   12.742 0.7678070 17.97739 
1 1 1    3   17    9 f   78.797   4.4014  736.680   81.568  729.900  115.614  743.400  115.096   78.230   6.3124   78.965   6.2229 -0.7355347 8.864036 
1 1 1    3   17   10 o  314.631   15.151 11957.73  1125.65  9877.70  1586.25 14067.70  1597.63  280.241   24.208  337.844   20.117 -57.60318 31.47611 
1 1 1    3   17   11 f  281.112   15.200  9590.31  1005.24  9815.70  1421.76  9365.00  1421.49  280.577   21.626  273.647   22.189 6.929932 30.98466 
1 1 1    3   17   12 o  163.954   8.5744  3209.73  330.809  3025.90  466.734  3395.30  468.942  158.145   12.603  167.783   11.914 -9.638580 17.34263 
1 1 1    3   17   13 o  282.955   14.816  9736.51  986.480  9064.80  1392.01 10414.20  1398.19  268.213   22.178  288.783   20.640 -20.56946 30.29603 
1 1 1    3   17   14 o  141.769   7.6802  2398.25  256.147  2449.00  361.723  2347.20  362.772  142.533   10.828  139.447   11.109 3.086121 15.51333 
1 1 1    3   17   15 o  193.598   10.421  4504.99  474.661  4520.00  670.429  4489.90  672.118  192.171   14.890  191.485   14.984 0.6859741 21.12446 
1 1 1    3   17   16 o  224.687   12.128  6107.78  641.104  7381.20  906.665  4834.40  906.652  245.090   15.749  195.834   19.882 49.25636 25.36392 
1 1 1    3   17   17 o  121.922   6.6035  1772.17  189.407  2123.00  267.856  1421.30  267.869  133.061   8.5705  108.272   10.614 24.78909 13.64194 
1 1 1    3   17   18 o  183.245   14.277  4118.20  612.917  4118.20  612.917   0.0000   0.0000  183.245   14.277  ?   ?  0.000000 14.27744 
1 1 1    3   17   19 o  236.895   18.847  7058.90  1045.57  7058.90  1045.57   0.0000   0.0000  236.895   18.847  ?   ?  0.000000 18.84697 
1 1 1    3   17   20 f  276.189   15.363  9401.91  997.993 10108.70  1410.32  8693.00  1412.44  280.960   21.419  258.537   23.389 22.42368 31.71450 
1 1 1    3   17   21 o   76.708   4.2689  699.219   77.018  839.400  108.932  559.100  108.907   83.900   5.5293   68.182   6.8573 15.71806 8.808867 
1 1 1    3   17   22 o   51.355   3.0205  313.029   36.467  392.200   51.595  234.000   51.549   57.424   3.8269   44.123   5.0378 13.30047 6.326533 
1 1 1    3   17   23 f  125.535   6.4996  1882.47  192.010  2384.90  271.822  1382.10  271.266  140.876   8.2067  106.305   10.964 34.57040 13.69501 
1 1 1    3   17   24 o  200.356   10.785  4887.02  508.387  5963.20  719.111  3811.70  718.825  219.193   13.966  172.331   17.927 46.86186 22.72486 
1 1 1    3   17   25 o  149.699   8.3095  2705.07  292.581  3030.70  413.409  2378.30  414.135  157.100   11.218  138.250   12.832 18.85017 17.04404 
1 1 1    3   17   26 o  121.727   6.6249  1780.17  189.711  1765.00  267.626  1795.50  268.962  120.118   9.5131  121.174   9.4752 -1.055618 13.42684 
1 1 1    3   17   27 o   53.534   3.1857  340.933   40.090  344.300   56.421  337.500   56.975   53.601   4.4993   53.049   4.5936 0.5521355 6.430020 
1 1 1    3   17   28 o   89.055   4.7545  949.262   99.621  892.700  140.106  1007.10  141.678   85.680   6.9858   91.165   6.6266 -5.484901 9.628776 
1 1 1    3   17   29 o   29.882   2.1918  106.289   15.358  115.500   21.617   96.900   21.824   31.055   2.9845   28.367   3.3210 2.688358 4.464998 
1 1 1    3   17   30 f   80.747   4.5488  783.284   86.381  825.900  122.112  740.600  122.209   82.270   6.3344   77.721   6.7252 4.549469 9.238699 
1 1 1    3   17   31 o  115.017   6.3885  1618.15  172.826  1616.00  244.201  1620.30  244.625  112.838   9.2461  112.986   9.2499 -0.1475983 13.07868 
1 1 1    3   17   32 o   77.742   4.4269  729.099   80.931  799.300  114.414  658.800  114.493   80.683   6.0493   72.875   6.7294 7.807968 9.048697 
1 1 1    3   17   33 o   41.222   2.6107  202.855   25.281  206.200   35.726  199.500   35.780   41.336   3.6992   40.637   3.7717 0.6996117 5.282959 
1 1 1    3   17   34 o   27.680   2.0530   91.400   13.323   89.300   18.842   93.500   18.842   27.203   2.9821   27.857   2.9072 -0.6540070 4.164698 
1 1 1    3   17   35 o   49.649   2.9969  295.450   34.970  295.100   49.439  295.800   49.472   49.236   4.2953   49.296   4.2928 -0.5957031E-01 6.072681 
1 1 1    3   17   36 o   56.665   3.3518  386.709   44.650  416.300   63.135  357.100   63.154   58.295   4.6244   53.785   5.0309 4.509663 6.833413 
1 1 1    3   17   37 o   22.455   1.9516   60.365   10.245   76.500   14.438   44.000   14.540   25.208   2.4567   18.847   3.3919 6.361156 4.188174 
1 1 1    3   17   38 o   40.788   2.6055  199.997   24.964  199.500   35.182  200.500   35.429   40.363   3.7335   40.459   3.7511 -0.9521103E-01 5.292418 
1 1 1    3   17   39 o   35.964   2.4003  155.607   20.267  158.000   28.621  153.200   28.704   35.904   3.4170   35.324   3.4866 0.5803833 4.881874 
1 1 1    3   17   40 o   36.888   2.4470  164.158   21.194  177.800   29.964  150.500   29.981   38.043   3.3704   34.838   3.7012 3.205475 5.005799 
1 1 1    3   17   41 o   40.647   2.6272  200.363   25.082  206.200   35.430  194.500   35.512   40.704   3.7276   39.450   3.8616 1.253323 5.367187 
1 1 1    3   17   42 o   23.701   1.9337   67.654   10.728   71.700   15.163   63.600   15.180   24.185   2.7013   22.697   2.8984 1.487494 3.962068 
1 1 1    3   17   43 o   20.149   1.7853   48.898   8.4064   55.800   11.934   42.100   11.844   21.373   2.4064   18.409   2.8139 2.964096 3.702554 
1 1 1    3   17   44 o   33.791   2.3218  138.452   18.414  140.300   26.026  136.600   26.056   33.562   3.3278   33.085   3.3827 0.4773331 4.745242 
1 1 1    3   17   45 o   24.299   1.9551   71.404   11.123   79.200   15.726   63.600   15.734   25.350   2.6671   22.549   3.0317 2.801710 4.037926 
1 1 1    3   17   46 o   8.2357   1.7308   8.4362   3.2591   11.500   4.6195   5.4000   4.5987   9.5747   2.1009   6.9029   2.3536 2.671775 3.154877 
1 1 1    3   17   47 o   25.659   2.0003   80.142   12.024  100.500   17.008   59.800   17.001   28.493   2.5550   21.492   3.4680 7.000715 4.307582 
1 1 1    3   17   48 o   19.244   1.8207   45.162   8.1752   58.700   11.556   31.600   11.566   21.777   2.2811   15.517   3.2603 6.260538 3.979091 
1 1 1    3   17   49 o   12.395   1.8375   19.002   5.2151   21.600   7.0696   15.900   7.7244   13.051   2.3818   11.030   2.9199 2.020447 3.768118 
1 1 1    3   17   50 o   9.6302   1.8999   11.660   4.1670   12.200   5.4493   10.900   6.4665   9.7378   2.3880   9.2151   2.7572 0.5227232 3.647617 
1 1 1    3   17   51 o   9.6206   2.4183   12.000   5.4876   12.000   5.4876   0.0000   0.0000   9.6206   2.4183  ?   ?  0.000000 2.418286 
1 1 1    3   17   52 o   8.2322   2.4878   8.8000   5.2452   8.8000   5.2452   0.0000   0.0000   8.2322   2.4878  ?   ?  0.000000 2.487783 
1 1 1    3   17   53 o   9.3441   2.4735   11.800   5.5434   11.800   5.5434   0.0000   0.0000   9.3441   2.4735  ?   ?  0.000000 2.473542 
1 1 1    3   17   54 o  ?   ?  -12.5000   1.3496 -12.5000   1.3496   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   18    0 o  119.465   9.3913  1721.70  261.162  1721.70  261.162  1721.70  261.162  119.465   9.3913  119.465   9.3913 -0.000000 0.000000 
1 1 1    3   18    1 o  226.982   10.947  6139.92  586.722  7423.30  832.624  4874.10  826.906  248.390   14.255  200.025   17.689 48.36525 22.71838 
1 1 1    3   18    2 o  110.564   6.0040  1451.67  156.166  1548.80  220.882  1354.60  220.824  113.930   8.2666  106.419   8.8682 7.510986 12.12356 
1 1 1    3   18    3 o  397.131   21.420 19361.73  2001.26 20737.00  2832.97 17991.80  2827.47  403.840   29.921  373.804   32.351 30.03564 44.06657 
1 1 1    3   18    4 o  325.672   17.219 12864.48  1319.51 12240.10  1862.91 13493.10  1869.23  312.796   25.442  329.365   24.203 -16.56845 35.11539 
1 1 1    3   18    5 o  242.747   13.121  7080.24  749.298  7249.20  1057.84  6910.10  1061.51  243.563   18.532  237.525   19.087 6.037903 26.60326 
1 1 1    3   18    6 o  173.237   9.1898  3580.18  374.588  3812.60  530.282  3348.70  529.214  177.973   12.701  166.504   13.578 11.46844 18.59287 
1 1 1    3   18    7 o   83.816   4.6835  833.762   92.325  867.600  130.352  799.700  130.783   85.303   6.5207   81.836   6.8301 3.466469 9.442998 
1 1 1    3   18    8 o   59.583   3.4583  421.074   48.447  414.800   68.646  427.300   68.383   58.990   4.9745   59.889   4.8779 -0.8991814 6.966977 
1 1 1    3   18    9 o  206.128   10.504  5089.08  509.561  5891.00  721.426  4290.70  719.834  220.663   13.917  187.258   16.446 33.40479 21.54367 
1 1 1    3   18   10 o  176.225   9.6719  3716.95  400.938  4191.20  566.478  3240.90  567.547  186.188   12.965  162.974   14.913 23.21455 19.76104 
1 1 1    3   18   11 o  142.921   7.3966  2434.18  248.773  2208.90  350.951  2661.70  352.693  135.338   11.079  148.894   10.091 -13.55611 14.98544 
1 1 1    3   18   12 o  263.822   14.493  8461.20  899.418  9028.40  1270.85  7892.00  1273.09  269.007   20.153  250.319   21.754 18.68846 29.65440 
1 1 1    3   18   13 o  142.197   7.7714  2413.61  259.961  2879.30  367.496  1947.20  367.784  154.792   10.110  126.540   12.471 28.25259 16.05361 
1 1 1    3   18   14 o  254.680   20.223  8147.10  1206.19  8147.10  1206.19   0.0000   0.0000  254.680   20.223  ?   ?  0.000000 20.22315 
1 1 1    3   18   15 o  111.417   6.1113  1478.21  160.170  1543.90  226.244  1412.20  226.787  113.430   8.5087  108.363   8.9427 5.066612 12.34386 
1 1 1    3   18   16 o  173.148   9.4269  3599.10  383.981  3909.40  542.729  3288.10  543.333  179.214   12.911  163.764   14.191 15.45003 19.18525 
1 1 1    3   18   17 o  102.215   5.6570  1243.70  136.009  1353.30  192.173  1133.70  192.518  106.279   7.7099   97.068   8.4843 9.210396 11.46413 
1 1 1    3   18   18 o  176.823   9.6085  3759.28  399.690  3964.80  564.860  3553.20  565.634  180.113   13.377  170.085   14.214 10.02863 19.51826 
1 1 1    3   18   19 o   98.312   5.3137  1150.03  122.900  1425.80  173.860  874.600  173.753  109.253   6.7725   85.068   8.7757 24.18465 11.08514 
1 1 1    3   18   20 o   92.054   5.0386  1008.15  109.109  1180.70  154.328  835.700  154.279   99.387   6.6136   83.284   7.9410 16.10232 10.33440 
1 1 1    3   18   21 o   77.101   4.3309  706.696   78.531  792.300  111.030  621.000  111.090   81.441   5.8116   71.914   6.6160 9.526833 8.806006 
1 1 1    3   18   22 o   46.312   2.8381  254.608   30.887  255.700   43.525  253.500   43.839   46.285   4.0224   46.078   4.0710 0.2070847 5.722970 
1 1 1    3   18   23 o  197.189   11.018  4737.33  510.970  5361.40  721.995  4111.10  723.248  207.257   14.851  179.668   17.260 27.58873 22.76930 
1 1 1    3   18   24 o   71.587   4.0674  609.707   68.473  623.300   96.633  596.000   97.038   72.118   5.7214   70.480   5.8844 1.637695 8.207368 
1 1 1    3   18   25 o   64.064   3.7560  488.404   56.571  543.400   79.892  433.100   80.115   67.381   5.0580   59.988   5.7252 7.392906 7.639470 
1 1 1    3   18   26 o   32.235   2.2735  123.534   17.194  132.900   24.209  114.000   24.425   33.345   3.1105   30.819   3.4137 2.526918 4.618254 
1 1 1    3   18   27 f   49.795   3.0126  295.035   35.257  305.200   49.775  284.800   49.947   50.466   4.2155   48.707   4.3898 1.758926 6.086108 
1 1 1    3   18   28 o  121.158   6.8257  1782.82  194.485  1942.30  274.768  1622.70  275.321  124.963   9.3800  113.517   10.386 11.44671 13.99490 
1 1 1    3   18   29 o   65.045   3.7966  505.922   58.061  524.100   81.837  487.500   82.386   65.818   5.3108   63.390   5.5601 2.428108 7.688921 
1 1 1    3   18   30 o   38.999   2.4867  181.139   22.781  176.500   32.011  185.900   32.428   38.316   3.5795   39.341   3.5282 -1.025311 5.026037 
1 1 1    3   18   31 o   94.258   5.2622  1078.20  116.657  1077.40  164.846  1079.00  165.109   92.892   7.5812   92.957   7.5880 -0.6485748E-01 10.72629 
1 1 1    3   18   32 o   23.255   1.8993   64.506   10.339   67.400   14.606   61.600   14.636   23.663   2.6601   22.583   2.8049 1.079544 3.865705 
1 1 1    3   18   33 o   71.292   4.2338  614.117   70.956  714.700  100.214  513.000  100.479   76.294   5.6017   64.009   6.7495 12.28515 8.771286 
1 1 1    3   18   34 o   82.761   4.7128  833.390   91.720  839.300  129.278  827.400  130.149   81.802   6.7530   81.144   6.8566 0.6577682 9.623723 
1 1 1    3   18   35 o   61.996   3.6008  463.392   52.486  495.600   74.236  431.200   74.218   63.529   4.9887   59.047   5.3820 4.482292 7.338486 
1 1 1    3   18   36 o   83.855   4.8073  862.842   94.793  888.800  133.949  836.800  134.167   83.518   6.8524   80.806   7.1035 2.711533 9.869902 
1 1 1    3   18   37 o   14.746   1.6924   26.148   5.7866   26.000   8.1301   26.300   8.2378   14.564   2.4511   14.646   2.4698 -0.8193779E-01 3.479624 
1 1 1    3   18   38 o   7.4544   1.6996   6.8663   2.9252   8.9000   4.0731   4.7000   4.2038   8.4738   2.0564   6.5589   2.2501 1.914865 3.048258 
1 1 1    3   18   39 o   17.267   1.7330   35.840   6.9706   39.100   9.8732   32.600   9.8428   17.906   2.3951   16.261   2.6549 1.644783 3.575607 
1 1 1    3   18   40 o   32.965   2.2605  130.930   17.490  126.200   24.682  135.700   24.788   31.997   3.3148   33.238   3.1977 -1.240953 4.605798 
1 1 1    3   18   41 o   32.401   2.2034  126.598   16.758  152.700   23.746  100.700   23.653   35.353   2.8693   28.370   3.6126 6.982445 4.613450 
1 1 1    3   18   42 o   29.622   2.1520  105.908   14.950  107.600   21.095  104.200   21.190   29.533   3.0697   29.029   3.1414 0.5040035 4.392209 
1 1 1    3   18   43 o   17.119   1.7599   35.378   7.0130   40.700   9.8918   30.000   9.9443   18.228   2.3531   15.477   2.8250 2.750354 3.676697 
1 1 1    3   18   44 o   33.124   2.2932  133.050   17.827  151.100   25.211  115.000   25.211   34.948   3.0866   30.202   3.6063 4.746489 4.746854 
1 1 1    3   18   45 o   44.258   2.8266  241.508   29.386  276.600   41.553  206.400   41.564   46.592   3.8102   39.626   4.5230 6.966091 5.913962 
1 1 1    3   18   46 f   18.702   1.7781   42.419   7.7578   53.400   10.987   31.500   10.956   20.842   2.2691   15.670   3.0705 5.171645 3.817983 
1 1 1    3   18   47 o   30.900   2.2374  117.118   16.215  132.900   22.918  101.300   22.945   32.438   3.0270   27.946   3.5577 4.492268 4.671169 
1 1 1    3   18   48 o   10.073   1.9113   12.693   4.3799   16.800   5.9129   7.7000   6.5198   11.525   2.2534   8.1177   2.8012 3.407511 3.595080 
1 1 1    3   18   49 o   10.632   1.8285   14.066   4.4251   13.300   5.7266   15.200   6.9715   10.181   2.4180   10.819   2.7291 -0.6380796 3.646229 
1 1 1    3   18   50 o   8.2004   1.8127   8.4804   3.4168   7.5000   4.3825  10.0000   5.4562   7.7082   2.2608   8.8243   2.5029 -1.116175 3.372794 
1 1 1    3   18   51 o   11.267   2.4398   16.500   6.3034   16.500   6.3034   0.0000   0.0000   11.267   2.4398  ?   ?  0.000000 2.439834 
1 1 1    3   18   52 o   9.3757   2.4694   11.700   5.5431   11.700   5.5431   0.0000   0.0000   9.3757   2.4694  ?   ?  0.000000 2.469434 
1 1 1    3   18   53 o   6.4487   2.3622   4.8000   4.7016   4.8000   4.7016   0.0000   0.0000   6.4487   2.3622  ?   ?  0.000000 2.362235 
1 1 1    3   18   54 o   9.4312   2.9079   12.900   7.1193   12.900   7.1193   0.0000   0.0000   9.4312   2.9079  ?   ?  0.000000 2.907903 
1 1 1    3   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   18   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   19    0 o   48.781   4.3055  287.700   48.707  287.700   48.707  287.700   48.707   48.781   4.3055   48.781   4.3055 0.000000 0.000000 
1 1 1    3   19    1 o  304.988   16.272 11281.55  1167.67 12408.30  1652.66 10158.40  1650.02  316.314   22.268  284.416   24.817 31.89835 33.34277 
1 1 1    3   19    2 o  175.091   9.1107  3657.44  375.384  4058.10  531.816  3259.60  529.934  183.690   12.332  164.146   13.800 19.54459 18.50737 
1 1 1    3   19    3 o  288.341   15.534 10070.42  1053.76 10389.80  1491.01  9751.70  1489.49  289.289   21.991  279.745   22.745 9.543732 31.63793 
1 1 1    3   19    4 o  114.686   8.9061  1574.30  239.301   0.0000   0.0000  1574.30  239.301  ?   ?   114.686   8.9061 0.000000 8.906136 
1 1 1    3   19    5 o  214.571   10.715  5499.69  542.881  4832.10  765.358  6175.70  770.165  198.952   16.438  225.850   14.518 -26.89758 21.93166 
1 1 1    3   19    6 o  191.097   10.289  4372.34  462.596  4450.70  653.419  4293.60  655.004  191.492   14.559  187.950   14.880 3.541183 20.81809 
1 1 1    3   19    7 o  284.211   13.648  9734.90  915.972  8016.70  1290.65 11478.50  1300.16  253.172   21.802  305.802   18.085 -52.63048 28.32653 
1 1 1    3   19    8 o  188.132   9.8551  4237.34  436.286  3973.30  615.720  4503.60  618.293  180.686   14.554  192.761   13.672 -12.07553 19.96902 
1 1 1    3   19    9 o   22.114   1.8312   58.158   9.4763   72.100   13.446   44.400   13.357   24.592   2.3439   19.144   3.0576 5.448120 3.852661 
1 1 1    3   19   10 o  294.603   15.964 10604.24  1106.43 10031.70  1564.58 11177.00  1564.87  280.822   23.819  297.697   22.426 -16.87497 32.71442 
1 1 1    3   19   11 o  250.996   12.840  7617.51  758.440  6730.80  1070.17  8512.30  1075.04  232.216   19.702  262.817   17.421 -30.60159 26.29976 
1 1 1    3   19   12 o  186.524   10.163  4178.33  445.946  4453.30  630.121  3902.40  631.207  191.136   14.060  178.418   15.124 12.71864 20.65007 
1 1 1    3   19   13 o  286.683   15.799 10083.14  1065.39 11055.70  1506.12  9109.10  1507.27  295.366   21.747  265.760   24.287 29.60638 32.60021 
1 1 1    3   19   14 o  146.012   7.6048  2545.90  261.297  3003.20  369.836  2090.10  369.224  158.004   9.9634  131.096   12.062 26.90767 15.64521 
1 1 1    3   19   15 o  370.471   17.368 16971.57  1519.42 13099.30  2140.04 20907.70  2157.62  311.762   29.417  404.311   22.691 -92.54968 37.15189 
1 1 1    3   19   16 o  107.230   5.9130  1369.36  149.144  1519.20  210.775  1219.10  211.067  112.580   7.9803  100.575   8.9818 12.00551 12.01493 
1 1 1    3   19   17 o   84.877   4.6727  856.231   93.291  1012.30  131.962  700.300  131.904   92.111   6.1016   76.316   7.4131 15.79487 9.601222 
1 1 1    3   19   18 o  104.268   5.7292  1294.76  140.520  1449.90  198.657  1139.40  198.793  109.992   7.6971   97.215   8.7537 12.77707 11.65641 
1 1 1    3   19   19 o  137.838   7.6220  2273.84  247.120  2506.40  349.110  2040.30  349.853  143.943   10.340  129.396   11.572 14.54716 15.51847 
1 1 1    3   19   20 o  140.140   7.6163  2352.07  251.094  2672.30  355.032  2031.60  355.170  148.601   10.179  128.917   11.798 19.68349 15.58218 
1 1 1    3   19   21 f   48.500   2.9703  279.283   33.854  305.800   47.803  252.600   47.952   50.647   4.0304   45.942   4.4769 4.704979 6.023849 
1 1 1    3   19   22 o  119.303   6.5321  1702.28  183.321  1751.50  258.910  1652.80  259.601  120.278   9.1853  116.720   9.5014 3.558609 13.21539 
1 1 1    3   19   23 o   88.933   4.9563  942.755  103.670  971.300  146.343  914.000  146.882   89.868   6.9502   87.100   7.2062 2.767159 10.01169 
1 1 1    3   19   24 o   88.781   4.9073  940.350  102.479  1190.40  144.927  690.300  144.927   99.636   6.1905   75.240   8.2950 24.39598 10.35030 
1 1 1    3   19   25 o  128.337   7.0586  1985.95  213.087  2024.90  300.778  1946.70  301.927  128.266   10.010  125.618   10.268 2.647949 14.34003 
1 1 1    3   19   26 o   89.168   5.0564  952.189  106.030  1004.70  149.540  899.100  150.361   91.022   7.0114   85.917   7.4861 5.104874 10.25679 
1 1 1    3   19   27 o   83.587   4.6936  837.011   92.267  945.200  130.448  728.700  130.521   88.348   6.2940   77.191   7.2454 11.15692 9.597439 
1 1 1    3   19   28 o   73.008   4.1990  638.255   72.085  679.400  101.753  596.800  102.136   74.867   5.8010   69.995   6.2450 4.871994 8.523591 
1 1 1    3   19   29 o   21.581   1.8420   55.523   9.2968   54.000   13.036   57.100   13.262   21.167   2.6674   21.781   2.6319 -0.6138706 3.747225 
1 1 1    3   19   30 o   73.252   4.0231  644.066   69.323  601.900   97.654  686.900   98.424   70.126   5.9536   75.096   5.5904 -4.970818 8.166861 
1 1 1    3   19   31 o   41.509   2.5589  205.475   24.960  193.400   35.119  217.800   35.481   40.033   3.7590   42.547   3.5644 -2.514458 5.180268 
1 1 1    3   19   32 o   42.251   2.6164  213.100   25.975  201.100   36.660  225.200   36.811   40.777   3.8529   43.223   3.6405 -2.446114 5.300770 
1 1 1    3   19   33 o   41.688   2.6214  207.641   25.673  203.000   36.271  212.300   36.345   40.954   3.7937   41.910   3.7109 -0.9563332 5.306843 
1 1 1    3   19   34 o   48.491   2.9545  281.763   33.668  292.400   47.585  271.100   47.644   49.058   4.1465   47.165   4.3260 1.892143 5.992322 
1 1 1    3   19   35 o   33.020   2.2578  130.299   17.499  133.100   24.750  127.500   24.745   33.178   3.1988   32.447   3.2743 0.7303963 4.577511 
1 1 1    3   19   36 o   31.670   2.2053  119.989   16.389  117.600   23.124  122.400   23.231   31.130   3.1908   31.779   3.1366 -0.6490593 4.474336 
1 1 1    3   19   37 o   50.472   3.0753  307.820   36.477  320.100   51.544  295.500   51.630   50.912   4.3284   48.801   4.5320 2.110657 6.266954 
1 1 1    3   19   38 o   22.356   1.8640   59.934   9.7506   56.400   13.758   63.500   13.821   21.479   2.7776   22.854   2.6077 -1.375065 3.809889 
1 1 1    3   19   39 o   56.605   3.4037  392.313   45.283  400.800   63.992  383.800   64.089   56.188   4.8712   54.875   5.0009 1.313465 6.981209 
1 1 1    3   19   40 o   45.889   2.8268  256.064   30.482  292.300   43.129  219.900   43.086   48.488   3.7971   41.626   4.4525 6.862156 5.851728 
1 1 1    3   19   41 o   28.576   2.1108   98.457   14.143  100.700   19.969   96.200   20.033   28.605   3.0009   27.918   3.0906 0.6872139 4.307821 
1 1 1    3   19   42 o   15.913   1.7414   30.592   6.4366   33.500   9.0382   27.600   9.1686   16.506   2.3884   14.867   2.7116 1.638612 3.613427 
1 1 1    3   19   43 o   24.131   1.9430   70.244   10.978   81.100   15.529   59.400   15.521   25.739   2.5902   21.814   3.1003 3.924541 4.039953 
1 1 1    3   19   44 o   38.381   2.5452  179.817   22.936  210.200   32.427  149.400   32.445   41.013   3.3784   34.081   4.1149 6.931995 5.324071 
1 1 1    3   19   45 o   29.841   2.1687  108.303   15.177  117.900   21.461   98.700   21.467   30.747   2.9938   27.941   3.3185 2.806265 4.469384 
1 1 1    3   19   46 o   18.817   1.7741   42.961   7.7896   53.500   11.036   32.500   10.996   20.846   2.2791   15.922   3.0355 4.924923 3.795905 
1 1 1    3   19   47 o   33.517   2.3010  138.236   18.101  150.700   25.665  125.900   25.533   34.373   3.1988   31.145   3.5343 3.227449 4.766924 
1 1 1    3   19   48 o   4.6991   1.6380   2.3934   2.2319  -0.2000   2.7070   7.9000   3.9445   3.8237   1.6486   7.9037   2.0838 -4.079972 2.657132 
1 1 1    3   19   49 o   9.7317   1.8009   11.826   3.9862   10.400   5.2902   13.700   6.0631   9.0066   2.4309   10.304   2.5141 -1.297477 3.497153 
1 1 1    3   19   50 o   11.690   1.6695   16.867   4.4775   10.600   5.8823   25.500   6.9039   9.0611   2.6083   14.261   2.1142 -5.199723 3.357497 
1 1 1    3   19   51 o   19.426   2.7476   49.300   12.252   49.300   12.252   0.0000   0.0000   19.426   2.7476  ?   ?  0.000000 2.747562 
1 1 1    3   19   52 o   7.6948   2.4574   7.7000   5.0402   7.7000   5.0402   0.0000   0.0000   7.6948   2.4574  ?   ?  0.000000 2.457353 
1 1 1    3   19   53 o   15.374   2.7807   32.900   9.7235   32.900   9.7235   0.0000   0.0000   15.374   2.7807  ?   ?  0.000000 2.780695 
1 1 1    3   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   20    1 o  224.486   17.479  6181.70  919.244  6181.70  919.244   0.0000   0.0000  224.486   17.479  ?   ?  0.000000 17.47903 
1 1 1    3   20    2 o   31.784   2.2492  119.941   16.772  121.000   23.822  118.900   23.618   31.833   3.2130   31.553   3.2148 0.2805538 4.545182 
1 1 1    3   20    3 o  181.834   9.7564  3956.40  417.385  3925.90  589.796  3987.00  590.749  179.876   13.996  181.309   13.904 -1.433517 19.72836 
1 1 1    3   20    4 o  146.581   7.7283  2561.15  266.556  2317.80  376.348  2806.10  377.588  138.580   11.608  152.848   10.526 -14.26733 15.66938 
1 1 1    3   20    5 o  268.742   14.527  8761.74  918.439  8982.20  1299.20  8541.50  1298.53  268.508   20.649  261.425   21.218 7.082733 29.60728 
1 1 1    3   20    6 o  196.086   9.9580  4605.25  459.571  5483.20  651.216  3734.20  648.654  212.967   13.012  174.543   15.913 38.42458 20.55545 
1 1 1    3   20    7 o  206.766   11.055  5137.69  537.806  4894.70  760.406  5380.90  760.740  199.779   16.260  209.890   15.458 -10.11157 22.43503 
1 1 1    3   20    8 o  117.116   6.2679  1632.11  172.712  1797.00  244.353  1467.50  244.150  122.522   8.4984  110.470   9.4504 12.05125 12.70951 
1 1 1    3   20    9 o  172.365   9.2358  3556.78  374.543  3589.20  529.838  3524.40  529.529  171.947   13.149  170.337   13.270 1.609604 18.68092 
1 1 1    3   20   10 o  174.745   9.2805  3657.93  381.573  3355.00  539.382  3961.40  539.869  165.843   13.902  180.749   12.730 -14.90598 18.84970 
1 1 1    3   20   11 o   36.355   2.4384  156.886   20.811  167.400   29.314  146.200   29.551   37.475   3.3478   34.969   3.6318 2.506813 4.939397 
1 1 1    3   20   12 o  172.934   8.9919  3582.50  365.925  3308.60  516.180  3859.20  518.821  164.729   13.386  178.375   12.394 -13.64598 18.24276 
1 1 1    3   20   13 o  298.778   13.388 10829.80  944.560  8153.70  1328.34 13566.90  1343.40  252.375   22.526  331.120   17.241 -78.74487 28.36710 
1 1 1    3   20   14 o  268.095   13.336  8724.67  844.242  7434.90  1190.29 10030.40  1197.63  241.890   21.048  283.841   17.961 -41.95020 27.67011 
1 1 1    3   20   15 o  129.827   7.0304  2011.79  214.726  2468.80  303.655  1554.70  303.682  143.385   9.0143  112.982   11.545 30.40279 14.64724 
1 1 1    3   20   16 o   73.956   4.0968  649.560   71.266  628.500  100.107  671.200  101.477   72.514   5.8974   74.970   5.7766 -2.456245 8.255222 
1 1 1    3   20   17 f  179.468   9.7846  3877.17  413.096  4057.70  583.605  3695.90  584.810  181.974   13.682  173.278   14.424 8.696274 19.88030 
1 1 1    3   20   18 o  105.291   5.7482  1320.77  142.378  1517.50  201.344  1124.00  201.363  112.518   7.6230   96.466   8.9415 16.05162 11.74990 
1 1 1    3   20   19 o  154.937   8.4072  2881.83  306.437  2936.70  432.852  2826.70  433.885  155.142   11.906  152.076   12.185 3.065521 17.03598 
1 1 1    3   20   20 o   98.275   5.4092  1150.71  125.043  1193.30  176.713  1108.00  176.963   99.660   7.5655   95.940   7.8809 3.720139 10.92457 
1 1 1    3   20   21 o   97.317   5.3243  1128.90  121.890  1117.80  171.997  1140.10  172.762   96.358   7.6213   97.331   7.5765 -0.9730225 10.74649 
1 1 1    3   20   22 o   49.080   3.0062  286.146   34.672  312.800   48.946  259.300   49.123   51.199   4.0825   46.521   4.5291 4.677254 6.097477 
1 1 1    3   20   23 o  163.027   8.6984  3218.75  333.650  3083.00  470.560  3356.00  473.155  157.285   12.780  164.470   12.271 -7.185257 17.71782 
1 1 1    3   20   24 o   83.036   4.5126  822.424   88.149  772.500  124.259  873.000  125.069   79.992   6.6383   85.168   6.2628 -5.175369 9.126345 
1 1 1    3   20   25 o   49.766   2.8081  294.312   32.865  254.000   46.012  336.300   46.959   46.009   4.2844   53.079   3.7711 -7.069859 5.707662 
1 1 1    3   20   26 o  113.776   6.3040  1563.61  168.707  1762.40  238.520  1364.60  238.655  119.742   8.4907  104.617   9.7738 15.12470 12.94679 
1 1 1    3   20   27 o   52.980   3.0470  334.326   37.959  297.200   53.486  372.000   53.880   49.651   4.6148   55.700   4.1258 -6.049534 6.190162 
1 1 1    3   20   28 o   61.379   3.5644  450.217   51.439  457.300   72.660  443.100   72.831   61.495   5.0483   60.498   5.1471 0.9969139 7.209559 
1 1 1    3   20   29 o   48.575   2.9193  281.491   33.330  276.800   46.846  286.300   47.432   47.907   4.1830   48.733   4.1617 -0.8259773 5.900588 
1 1 1    3   20   30 o   44.092   2.7147  231.969   28.128  226.600   39.488  237.500   40.076   43.335   3.9006   44.382   3.8625 -1.046921 5.489409 
1 1 1    3   20   31 o   54.628   3.2165  357.256   41.308  351.100   58.213  363.500   58.626   53.760   4.6308   54.724   4.5789 -0.9640427 6.512374 
1 1 1    3   20   32 o   25.415   1.9243   77.014   11.463   70.400   15.993   84.000   16.437   24.143   2.8609   26.436   2.6698 -2.292540 3.913124 
1 1 1    3   20   33 f   39.413   2.5279  185.601   23.403  187.700   33.092  183.500   33.102   39.401   3.5964   38.942   3.6421 0.4586983 5.118466 
1 1 1    3   20   34 o   17.937   1.7535   38.510   7.3320   40.000   10.336   37.000   10.402   18.165   2.4740   17.433   2.6070 0.7323284 3.594068 
1 1 1    3   20   35 o   82.587   4.6299  835.300   89.927  805.100  126.658  866.000  127.701   79.442   6.8179   82.596   6.6027 -3.153877 9.491001 
1 1 1    3   20   36 o   12.760   1.6468   19.640   4.8461   19.000   6.8007   20.300   6.9076   12.410   2.4075   12.846   2.3643 -0.4357748 3.374365 
1 1 1    3   20   37 o   16.147   1.7122   31.332   6.4286   26.600   9.0743   36.100   9.1087   14.661   2.7214   17.235   2.2952 -2.574361 3.560049 
1 1 1    3   20   38 o   28.644   2.1044   98.558   14.134  105.000   19.976   92.100   20.002   29.344   2.9217   27.394   3.1494 1.950756 4.295937 
1 1 1    3   20   39 o   14.331   1.6672   24.777   5.5362   30.000   7.8467   19.600   7.8123   15.682   2.1777   12.510   2.7220 3.172758 3.485935 
1 1 1    3   20   40 o   38.412   2.5258  178.763   22.782  182.500   32.164  175.000   32.274   38.323   3.5963   37.470   3.6958 0.8532677 5.156797 
1 1 1    3   20   41 o   29.828   2.1338  107.310   14.930  102.900   21.022  111.800   21.209   28.857   3.1354   30.139   3.0208 -1.281187 4.353855 
1 1 1    3   20   42 o   43.000   2.7311  225.442   27.587  223.000   38.949  227.900   39.079   42.040   3.9704   42.526   3.9363 -0.4856148 5.590918 
1 1 1    3   20   43 o   3.3314   1.3097   0.7539   1.5090  -0.1000   2.2993   1.4000   2.0001   3.5718   1.5293   4.0419   1.5289 -0.4700866 2.162528 
1 1 1    3   20   44 o   5.9451   1.6641   4.3500   2.4286   0.9000   3.4345   7.8000   3.4345   4.6954   1.9295   7.9045   1.8694 -3.209156 2.686572 
1 1 1    3   20   45 o   16.496   1.7220   33.011   6.6087   41.000   9.3691   25.100   9.3232   18.256   2.2190   14.010   2.9132 4.246160 3.662086 
1 1 1    3   20   46 o   27.196   1.9771   90.017   12.610  119.000   17.890   61.400   17.777   31.046   2.4604   21.677   3.5990 9.368227 4.359648 
1 1 1    3   20   47 o   9.4828   1.7275   11.171   3.7258   11.700   5.1719   10.600   5.3720   9.5809   2.3125   9.1139   2.4453 0.4669905 3.365573 
1 1 1    3   20   48 o   27.411   2.2030   92.660   14.139  106.400   19.847   78.500   20.148   28.917   2.9478   24.370   3.6104 4.546412 4.660953 
1 1 1    3   20   49 f   5.9056   1.8174   4.2510   2.7825   3.9000   3.5627   4.8000   4.4554   5.9251   2.0692   6.5645   2.3126 -0.6394010 3.103176 
1 1 1    3   20   50 o   10.379   2.4373   14.000   5.8714   14.000   5.8714   0.0000   0.0000   10.379   2.4373  ?   ?  0.000000 2.437254 
1 1 1    3   20   51 o   10.318   2.6855   14.300   6.6066   14.300   6.6066   0.0000   0.0000   10.318   2.6855  ?   ?  0.000000 2.685547 
1 1 1    3   20   52 o   9.5880   2.6013   12.600   6.0393   12.600   6.0393   0.0000   0.0000   9.5880   2.6013  ?   ?  0.000000 2.601307 
1 1 1    3   20   53 o   11.273   2.7902   18.100   7.3875   18.100   7.3875   0.0000   0.0000   11.273   2.7902  ?   ?  0.000000 2.790249 
1 1 1    3   20   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   20   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   21    0 o   91.228   7.2894  1004.40  154.722  1004.40  154.722  1004.40  154.722   91.228   7.2894   91.228   7.2894 0.000000 0.000000 
1 1 1    3   21    1 o  211.164   11.381  5362.63  565.404  5517.30  799.392  5207.80  799.811  212.305   16.064  205.993   16.583 6.311203 23.08823 
1 1 1    3   21    2 o  413.211   21.304 21328.58  2071.65 16798.80  2923.94 25894.60  2935.61  349.521   35.939  446.724   27.970 -97.20337 45.54024 
1 1 1    3   21    3 o  474.657   26.906 29054.20  3003.36 31244.60  4250.70 26870.60  4244.10  472.203   38.456  430.986   42.245 41.21667 57.12704 
1 1 1    3   21    4 o   23.111   1.8735   63.507   10.137   42.700   14.270   84.700   14.402   18.722   3.3507   26.675   2.3091 -7.953234 4.069339 
1 1 1    3   21    5 o  137.277   7.4014  2246.95  239.039  2170.30  338.043  2323.60  338.063  134.179   10.760  138.962   10.377 -4.783554 14.94843 
1 1 1    3   21    6 o  106.349   5.6980  1344.82  142.572  1206.40  201.315  1484.10  201.939  100.244   8.5875  111.421   7.7229 -11.17682 11.54939 
1 1 1    3   21    7 o  215.798   9.5538  5566.10  486.839  7006.10  692.445  4158.50  684.610  240.890   12.213  183.934   15.919 56.95676 20.06449 
1 1 1    3   21    8 o   64.604   3.7144  495.353   56.425  582.700   79.773  407.900   79.821   69.969   4.8583   58.346   5.8734 11.62311 7.622341 
1 1 1    3   21    9 o  222.126   12.090  5964.05  631.752  6146.60  892.329  5780.60  894.539  222.976   17.077  215.839   17.707 7.136734 24.60032 
1 1 1    3   21   10 o   95.243   5.3036  1078.77  118.806  1143.10  167.733  1014.00  168.303   97.742   7.3205   91.934   7.8272 5.808044 10.71703 
1 1 1    3   21   11 o   97.449   5.5126  1129.92  126.331  1288.80  178.425  970.200  178.895  103.804   7.3261   89.761   8.5432 14.04330 11.25427 
1 1 1    3   21   12 o  194.993   10.510  4578.97  482.138  4586.80  680.811  4571.10  682.886  193.203   15.041  192.831   15.118 0.3716278 21.32615 
1 1 1    3   21   13 o  277.284   15.374  9445.68  1002.70  9991.10  1416.56  8898.00  1419.50  280.015   21.590  262.791   23.110 17.22415 31.62602 
1 1 1    3   21   14 o   85.968   4.6445  878.189   93.935  813.900  132.525  943.100  133.165   82.430   6.8711   88.853   6.3895 -6.422989 9.382816 
1 1 1    3   21   15 o  194.031   10.603  4541.59  483.968  5198.20  684.180  3884.00  684.687  205.954   14.154  176.659   16.608 29.29485 21.82138 
1 1 1    3   21   16 o   14.590   1.8504   25.551   6.2315   30.500   8.5350   19.900   9.1194   15.895   2.3444   12.719   3.0712 3.176047 3.863736 
1 1 1    3   21   17 o   35.623   2.4320  150.689   20.336  181.000   28.694  120.100   28.825   38.992   3.1431   31.604   3.9486 7.387848 5.046802 
1 1 1    3   21   18 o  134.434   7.1339  2161.05  225.654  2061.90  318.163  2261.40  320.091  130.373   10.422  136.717   9.9840 -6.343842 14.43243 
1 1 1    3   21   19 f   46.839   2.7937  260.375   30.759  244.800   43.260  276.300   43.744   45.271   4.0909   48.143   3.8808 -2.872555 5.638821 
1 1 1    3   21   20 o   87.289   4.9414  907.619  101.434  1020.40  143.279  794.300  143.620   92.260   6.6207   81.134   7.5843 11.12582 10.06755 
1 1 1    3   21   21 o   72.292   4.0773  621.700   69.318  718.400   98.031  525.000   98.031   77.524   5.3885   66.034   6.3657 11.48997 8.340159 
1 1 1    3   21   22 o   70.773   4.1241  596.433   68.623  644.300   96.764  548.000   97.333   73.308   5.6329   67.464   6.1784 5.844360 8.360762 
1 1 1    3   21   23 f   66.430   3.7921  525.389   59.239  521.900   83.647  528.900   83.907   65.924   5.4214   66.372   5.4005 -0.4476089 7.652238 
1 1 1    3   21   24 f   52.065   3.2234  322.656   39.435  382.600   55.651  262.200   55.888   56.565   4.1963   46.589   5.1671 9.975975 6.656404 
1 1 1    3   21   25 o   64.515   3.6164  496.127   54.872  449.100   77.419  543.600   77.784   61.000   5.4315   67.276   4.9307 -6.276260 7.335731 
1 1 1    3   21   26 o  130.941   7.3073  2093.11  225.040  2168.50  317.812  2017.30  318.697  131.165   10.345  126.127   10.805 5.038277 14.95877 
1 1 1    3   21   27 o   37.366   2.4486  166.220   21.486  163.100   30.243  169.400   30.529   36.849   3.5185   37.567   3.4811 -0.7181244 4.949470 
1 1 1    3   21   28 o   45.400   2.6848  245.570   28.655  221.300   40.295  270.400   40.756   42.841   4.0306   47.471   3.6642 -4.630154 5.447203 
1 1 1    3   21   29 o   38.321   2.4199  174.986   21.785  158.700   30.657  191.600   30.964   36.273   3.6279   39.953   3.3119 -3.680210 4.912210 
1 1 1    3   21   30 o   93.091   5.1081  1052.51  111.858  1013.90  157.413  1091.90  158.982   89.950   7.4788   93.520   7.2559 -3.570343 10.42021 
1 1 1    3   21   31 o   21.669   1.8325   56.033   9.2886   53.100   12.993   59.100   13.284   20.957   2.6873   22.145   2.5893 -1.187519 3.731830 
1 1 1    3   21   32 o   44.066   2.8514  232.443   29.511  250.500   41.515  214.000   41.957   45.488   3.9028   41.904   4.3012 3.583752 5.807971 
1 1 1    3   21   33 o   64.528   3.5582  501.394   54.008  458.500   75.937  545.300   76.827   60.961   5.3288   66.726   4.9104 -5.765488 7.246241 
1 1 1    3   21   34 o   49.554   2.9997  294.901   34.935  295.200   49.359  294.600   49.452   49.149   4.2962   49.094   4.3093 0.5508041E-01 6.084992 
1 1 1    3   21   35 o   16.096   1.7156   31.096   6.4201   29.400   9.0681   32.800   9.0908   15.488   2.5695   16.410   2.4185 -0.9217224 3.528636 
1 1 1    3   21   36 o   21.311   1.8004   54.377   8.9755   48.800   12.612   60.100   12.777   19.990   2.7441   22.283   2.4697 -2.293062 3.691788 
1 1 1    3   21   37 f   19.619   1.7907   46.197   8.2047   45.300   11.586   47.100   11.620   19.250   2.6167   19.648   2.5659 -0.3977222 3.664830 
1 1 1    3   21   38 o   9.4315   1.7224   10.918   3.6947   15.800   5.2158   6.0000   5.2345   11.336   2.0227   7.3517   2.5110 3.984254 3.224338 
1 1 1    3   21   39 o   51.424   3.0950  323.081   37.408  302.700   52.814  343.600   52.993   48.765   4.6425   52.212   4.3374 -3.446892 6.353427 
1 1 1    3   21   40 o   29.918   2.1653  107.960   15.194  122.600   21.480   93.300   21.494   31.634   2.9081   27.376   3.3981 4.258184 4.472600 
1 1 1    3   21   41 o   23.493   1.9304   66.506   10.614   77.400   15.007   55.600   15.015   25.174   2.5600   21.121   3.1031 4.053240 4.022819 
1 1 1    3   21   42 o   28.822   2.1222  100.359   14.342  105.500   20.266   95.200   20.299   29.242   2.9764   27.688   3.1614 1.553890 4.342038 
1 1 1    3   21   43 o   27.699   2.0697   92.837   13.440   91.300   18.928   94.400   19.086   27.109   3.0076   27.584   2.9774 -0.4744129 4.232078 
1 1 1    3   21   44 o   11.142   1.7096   15.211   4.3544   16.000   6.1171   14.400   6.1999   11.276   2.3725   10.664   2.5048 0.6119480 3.450027 
1 1 1    3   21   45 o   36.220   2.4578  161.159   20.897  164.200   29.510  158.100   29.595   35.840   3.5329   35.094   3.6234 0.7453880 5.060719 
1 1 1    3   21   46 o   27.346   2.0468   91.344   13.121  111.100   18.583   71.700   18.530   29.840   2.6652   23.502   3.4409 6.338345 4.352352 
1 1 1    3   21   47 o   63.372   4.1795  539.198   62.193  587.300   87.775  490.700   88.135   62.252   6.0474   55.110   6.9256 7.142479 9.194254 
1 1 1    3   21   48 o   26.595   2.1769   87.279   13.551  113.900   19.083   60.200   19.247   30.057   2.7182   20.979   4.0317 9.077728 4.862421 
1 1 1    3   21   49 o   8.9594   1.6826   10.019   3.4290   5.2000   4.4715   16.900   5.3428   6.7242   2.3199   11.596   2.0249 -4.871605 3.079279 
1 1 1    3   21   50 f   12.038   2.4907   18.900   6.8464   18.900   6.8464   0.0000   0.0000   12.038   2.4907  ?   ?  0.000000 2.490717 
1 1 1    3   21   51 o   14.193   2.6624   27.000   8.5949   27.000   8.5949   0.0000   0.0000   14.193   2.6624  ?   ?  0.000000 2.662388 
1 1 1    3   21   52 o   13.845   2.6843   26.400   8.4589   26.400   8.4589   0.0000   0.0000   13.845   2.6843  ?   ?  0.000000 2.684322 
1 1 1    3   21   53 o   9.2181   2.5151   11.900   5.6269   11.900   5.6269   0.0000   0.0000   9.2181   2.5151  ?   ?  0.000000 2.515081 
1 1 1    3   21   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   22    0 o  177.986   13.893  3855.20  575.730  3855.20  575.730  3855.20  575.730  177.986   13.893  177.986   13.893 0.000000 0.000000 
1 1 1    3   22    1 o   95.457   4.9540  1082.25  111.284  915.500  156.751  1251.70  158.014   87.384   7.6743  102.461   6.5655 -15.07709 10.09953 
1 1 1    3   22    2 f  318.271   16.908 12452.91  1266.19 10882.60  1788.26 14031.70  1793.08  289.332   26.467  332.440   22.983 -43.10788 35.05301 
1 1 1    3   22    3 o  143.368   7.2175  2450.15  243.561  2856.90  345.864  2050.00  343.047  154.312   9.5385  130.179   11.271 24.13258 14.76529 
1 1 1    3   22    4 o  167.441   9.0168  3356.94  355.200  3396.50  502.405  3317.40  502.252  167.255   12.818  165.229   12.977 2.026566 18.24054 
1 1 1    3   22    5 o   51.320   3.0396  312.458   36.671  334.600   51.910  290.400   51.811   53.006   4.1812   49.321   4.4981 3.684887 6.141326 
1 1 1    3   22    6 o  288.285   15.103 10156.89  1024.56 10954.00  1452.53  9367.60  1445.38  294.842   21.000  271.050   22.794 23.79184 30.99319 
1 1 1    3   22    7 o   77.854   4.4556  720.028   81.572  669.200  115.678  770.300  115.044   74.760   6.6212   80.326   6.1111 -5.565819 9.010295 
1 1 1    3   22    8 o   52.337   3.1652  325.074   38.934  255.600   55.111  394.300   55.012   46.154   5.1441   57.575   4.0726 -11.42064 6.561111 
1 1 1    3   22    9 o  229.582   12.394  6385.10  669.429  6408.00  946.630  6362.20  946.800  226.982   17.804  226.119   17.878 0.8633881 25.23115 
1 1 1    3   22   10 o  140.907   7.3209  2369.83  242.750  2652.00  343.737  2089.10  342.865  148.447   9.8621  131.313   11.163 17.13425 14.89562 
1 1 1    3   22   11 o  288.321   15.218 10199.27  1032.42 11540.80  1461.17  8861.80  1458.95  302.102   20.606  261.625   23.879 40.47653 31.54016 
1 1 1    3   22   12 o   49.752   3.0055  293.738   35.144  301.800   49.585  285.600   49.818   50.312   4.2124   48.916   4.3586 1.395878 6.061552 
1 1 1    3   22   13 o  317.788   17.583 12562.34  1314.31 14484.60  1858.69 10640.00  1858.74  334.540   23.682  281.264   28.374 53.27588 36.95804 
1 1 1    3   22   14 o  279.570   14.822  9599.34  975.007  8840.10  1376.29 10364.30  1381.46  261.801   22.481  285.458   20.633 -23.65726 30.51418 
1 1 1    3   22   15 o   94.391   4.9857  1059.57  110.732  957.200  156.159  1163.10  157.043   89.288   7.4752   98.617   6.7851 -9.328629 10.09539 
1 1 1    3   22   16 o   17.128   1.7886   35.038   7.1274   39.400   9.9814   30.500   10.181   18.101   2.3940   15.823   2.8287 2.277933 3.705776 
1 1 1    3   22   17 o  106.041   5.8572  1340.70  146.097  1478.40  206.462  1202.60  206.764  110.934   7.9339   99.771   8.8688 11.16342 11.89969 
1 1 1    3   22   18 o   87.275   4.5493  905.808   93.431  793.400  131.558  1020.20  132.713   81.264   6.9217   92.380   6.1184 -11.11610 9.238226 
1 1 1    3   22   19 o  115.396   6.3619  1592.13  172.687  1723.80  244.002  1460.00  244.432  119.450   8.7106  109.627   9.5374 9.823547 12.91650 
1 1 1    3   22   20 o  129.226   7.1123  2004.31  216.196  2161.40  305.490  1846.70  306.004  133.266   9.7759  122.778   10.660 10.48743 14.46425 
1 1 1    3   22   21 o  117.166   6.4722  1646.63  178.374  1753.20  251.982  1539.60  252.536  120.068   8.9518  112.219   9.6231 7.849464 13.14303 
1 1 1    3   22   22 o   59.845   3.3888  425.939   47.692  390.000   67.205  462.400   67.691   56.996   5.0455   62.171   4.6444 -5.175095 6.857656 
1 1 1    3   22   23 o  152.827   8.4778  2848.33  304.745  3086.00  430.717  2610.10  431.232  156.872   11.712  143.339   12.878 13.53351 17.40716 
1 1 1    3   22   24 o   79.895   4.5310  763.633   85.130  816.200  120.240  710.800  120.545   82.136   6.2462   76.463   6.7455 5.673668 9.193300 
1 1 1    3   22   25 o   30.241   2.1689  108.816   15.385  109.700   21.564  107.900   21.958   30.248   3.0611   29.983   3.1483 0.2648373 4.391171 
1 1 1    3   22   26 o   56.092   3.2370  375.297   42.693  356.200   60.061  394.800   60.697   54.326   4.7291   57.265   4.5255 -2.938572 6.545584 
1 1 1    3   22   27 o   49.151   2.9156  288.069   33.689  262.500   47.522  313.900   47.765   46.619   4.3678   51.103   3.9899 -4.484440 5.915797 
1 1 1    3   22   28 o   43.634   2.5953  226.916   26.620  205.100   37.326  249.500   37.976   41.231   3.8793   45.582   3.5563 -4.350864 5.262731 
1 1 1    3   22   29 o   59.002   3.5170  417.351   48.778  437.200   68.723  397.200   69.245   59.977   4.8951   57.045   5.1976 2.931561 7.139810 
1 1 1    3   22   30 o   49.330   2.8784  290.808   33.383  268.800   46.854  313.500   47.576   47.080   4.2607   50.952   3.9860 -3.871964 5.834564 
1 1 1    3   22   31 o   26.884   1.9113   86.127   12.054   74.700   16.784   98.300   17.324   24.865   2.9137   28.628   2.5907 -3.762424 3.898957 
1 1 1    3   22   32 o   21.158   2.0232   53.610   9.9849   73.900   13.999   32.600   14.246   24.810   2.4204   16.152   3.7988 8.658146 4.504337 
1 1 1    3   22   33 o   12.044   1.7589   17.562   4.8548   18.100   6.5348   16.900   7.2525   12.128   2.3669   11.673   2.6868 0.4541435 3.580603 
1 1 1    3   22   34 o   10.587   1.6519   13.610   3.9950   14.400   5.6159   12.800   5.6843   10.797   2.2746   10.161   2.4063 0.6357908 3.311165 
1 1 1    3   22   35 o   59.767   3.5071  433.677   49.279  422.800   69.618  444.600   69.766   58.118   5.1252   59.690   4.9956 -1.571911 7.157077 
1 1 1    3   22   36 o   19.051   1.7950   43.562   7.9801   45.800   11.256   41.300   11.316   19.392   2.5174   18.359   2.6901 1.033703 3.684233 
1 1 1    3   22   37 o   3.8749   1.4611   1.2915   1.8230   0.7000   2.5601   1.9000   2.5964   4.0881   1.6713   4.6482   1.7456 -0.5601563 2.416633 
1 1 1    3   22   38 f   26.980   2.0521   87.567   12.975   98.300   18.336   76.800   18.364   28.387   2.7707   24.923   3.1939 3.464090 4.228199 
1 1 1    3   22   39 o   44.626   2.8149  242.363   29.511  255.500   41.715  229.200   41.755   45.185   3.9492   42.623   4.2033 2.562668 5.767538 
1 1 1    3   22   40 o   46.184   2.8903  260.354   31.362  264.100   44.330  256.600   44.374   45.740   4.1495   45.031   4.2224 0.7095146 5.920034 
1 1 1    3   22   41 o   17.229   1.7448   35.810   7.0007   37.200   9.8667   34.400   9.9345   17.385   2.4731   16.668   2.6097 0.7174320 3.595409 
1 1 1    3   22   42 o   22.983   1.8975   63.727   10.206   71.600   14.455   55.900   14.412   24.165   2.5728   21.188   2.9614 2.976542 3.922948 
1 1 1    3   22   43 o   4.7432   1.5716   2.5576   2.0513   5.2000   2.8458  -0.3000   2.9594   6.4870   1.7963   3.9853   1.7210 2.501766 2.487741 
1 1 1    3   22   44 o   15.749   1.6924   30.082   6.1950   35.700   8.8150   24.600   8.7081   17.012   2.2495   13.922   2.7464 3.089898 3.550072 
1 1 1    3   22   45 o   4.4943   1.5768   2.1500   2.0699   3.5000   2.9273   0.8000   2.9273   5.5596   1.8779   4.3424   1.7826 1.217107 2.589206 
1 1 1    3   22   46 o   48.217   3.1178  295.092   35.309  339.700   49.911  250.400   49.958   50.299   4.2418   42.006   5.1439 8.292202 6.667307 
1 1 1    3   22   47 o   11.162   1.7288   15.379   4.4095   13.300   6.0120   17.800   6.4870   10.173   2.5166   11.822   2.4055 -1.649840 3.481383 
1 1 1    3   22   48 o   9.8427   1.8092   12.103   4.0499   9.5000   5.2581   15.900   6.3501   8.6262   2.4607   11.112   2.4826 -2.486052 3.495465 
1 1 1    3   22   49 o   8.0654   1.9143   8.2710   3.5911   5.3000   4.5129   13.400   5.9295   6.7575   2.3306   10.145   2.4930 -3.387500 3.412740 
1 1 1    3   22   50 f   18.258   2.7017   43.800   11.296   43.800   11.296   0.0000   0.0000   18.258   2.7017  ?   ?  0.000000 2.701656 
1 1 1    3   22   51 o   9.1743   2.5152   11.400   5.6115   11.400   5.6115   0.0000   0.0000   9.1743   2.5152  ?   ?  0.000000 2.515194 
1 1 1    3   22   52 o   11.042   2.6287   17.000   6.7555   17.000   6.7555   0.0000   0.0000   11.042   2.6287  ?   ?  0.000000 2.628687 
1 1 1    3   22   53 o   6.9986   2.3036   6.5000   4.4099   6.5000   4.4099   0.0000   0.0000   6.9986   2.3036  ?   ?  0.000000 2.303556 
1 1 1    3   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   23    0 o  110.574   8.7533  1478.30  225.258  1478.30  225.258  1478.30  225.258  110.574   8.7533  110.574   8.7533 0.000000 0.000000 
1 1 1    3   23    1 o   38.161   2.4925  172.826   22.337  153.200   31.571  192.500   31.609   35.785   3.7940   40.206   3.3601 -4.421188 5.068048 
1 1 1    3   23    2 o   85.104   4.4864  859.998   89.840  715.700  126.747  1005.70  127.362   77.268   7.0233   91.873   5.9019 -14.60477 9.173883 
1 1 1    3   23    3 o   65.045   3.3640  501.690   51.492  359.600   72.403  647.100   73.244   54.768   5.6811   73.816   4.2196 -19.04784 7.076722 
1 1 1    3   23    4 o  119.938   6.5141  1714.00  183.799  1737.70  259.928  1690.30  259.934  120.223   9.2263  118.531   9.3631 1.692467 13.14508 
1 1 1    3   23    5 o  189.772   9.7977  4323.79  437.557  4924.80  620.230  3728.30  617.377  201.275   13.121  174.152   15.164 27.12250 20.05298 
1 1 1    3   23    6 o  107.121   5.6466  1365.08  142.327  1475.30  201.808  1256.00  200.758  111.017   7.7467  102.266   8.3873 8.751404 11.41743 
1 1 1    3   23    7 o  160.260   8.6158  3075.31  324.852  3086.50  460.194  3064.20  458.630  159.401   12.322  158.820   12.326 0.5812073 17.42835 
1 1 1    3   23    8 o  198.907   10.743  4768.05  502.734  4726.40  711.808  4809.50  710.141  195.905   15.514  197.723   15.330 -1.818268 21.81015 
1 1 1    3   23    9 o  155.616   8.0104  2895.55  293.354  3228.80  415.743  2565.10  413.994  163.523   10.828  145.228   12.185 18.29510 16.30068 
1 1 1    3   23   10 o   83.412   4.5160  826.546   88.618  880.300  125.742  773.500  124.911   85.856   6.2450   80.388   6.6398 5.468376 9.115193 
1 1 1    3   23   11 o   83.183   4.3263  821.657   84.686  673.500  119.506  971.100  120.023   74.939   6.8283   90.281   5.6586 -15.34190 8.868233 
1 1 1    3   23   12 o   26.272   1.9850   82.013   12.224   74.300   17.246   89.800   17.329   24.888   2.9945   27.428   2.7111 -2.539768 4.039430 
1 1 1    3   23   13 o  129.401   6.0781  1989.93  185.723  1579.20  261.248  2409.60  264.079  114.294   9.7738  141.861   7.9148 -27.56725 12.57665 
1 1 1    3   23   14 o   17.913   1.8251   38.300   7.6120   40.100   10.492   36.300   11.061   18.249   2.5005   17.302   2.8032 0.9475307 3.756353 
1 1 1    3   23   15 o  115.434   6.2265  1589.54  169.094  1554.90  238.595  1624.50  239.679  113.541   8.9722  116.113   8.8071 -2.571877 12.57240 
1 1 1    3   23   16 o  112.260   6.1260  1503.84  161.777  1512.70  228.246  1494.90  229.333  111.995   8.6989  111.304   8.7973 0.6910324 12.37183 
1 1 1    3   23   17 f  148.082   8.1097  2634.92  282.497  2881.50  399.255  2387.70  399.767  153.746   11.071  139.377   12.272 14.36961 16.52787 
1 1 1    3   23   18 o  129.867   7.1973  2022.71  219.852  2164.90  310.415  1879.60  311.421  133.454   9.9212  123.991   10.743 9.463402 14.62306 
1 1 1    3   23   19 o  141.496   6.8098  2394.36  227.531  1944.90  320.318  2852.10  323.256  125.865   10.885  153.475   8.9586 -27.60957 14.09710 
1 1 1    3   23   20 o   50.754   3.0676  306.162   36.592  321.500   51.646  290.700   51.853   51.861   4.2547   49.258   4.5079 2.603161 6.198707 
1 1 1    3   23   21 f   66.775   3.7016  530.686   58.139  496.200   81.794  565.900   82.653   64.259   5.4416   68.716   5.1308 -4.457146 7.479071 
1 1 1    3   23   22 o   75.211   4.2825  675.217   75.744  707.500  106.925  642.700  107.312   76.613   5.9572   72.911   6.2946 3.702332 8.666636 
1 1 1    3   23   23 o   91.269   5.0726  999.019  108.893  1004.20  153.716  993.800  154.282   90.789   7.2301   90.288   7.2988 0.5004349 10.27357 
1 1 1    3   23   24 o   71.655   4.0479  613.797   68.211  604.800   96.185  622.900   96.748   70.664   5.8159   71.737   5.7599 -1.073296 8.185431 
1 1 1    3   23   25 o   35.537   2.4753  150.427   20.642  168.100   29.008  132.300   29.379   37.454   3.3141   33.100   3.8295 4.353481 5.064409 
1 1 1    3   23   26 o  138.545   7.6401  2371.91  248.983  2295.90  351.210  2448.70  353.026  132.869   11.301  137.619   10.954 -4.749466 15.73881 
1 1 1    3   23   27 f   85.060   4.8115  873.975   96.247  891.300  135.820  856.500  136.409   84.945   6.8289   83.161   7.0118 1.783508 9.787718 
1 1 1    3   23   28 o   51.420   3.1078  316.142   37.558  329.800   53.034  302.400   53.195   52.218   4.3404   49.924   4.5628 2.294296 6.297467 
1 1 1    3   23   29 o   48.318   2.8573  278.934   32.456  257.900   45.721  300.300   46.081   46.122   4.2457   49.882   3.9443 -3.760090 5.795136 
1 1 1    3   23   30 o   52.091   3.1899  325.261   39.049  347.400   55.025  302.800   55.424   53.490   4.3953   49.790   4.7726 3.699894 6.488133 
1 1 1    3   23   31 o   19.123   1.8093   43.735   8.0731   40.600   11.303   47.000   11.535   18.270   2.7015   19.715   2.5366 -1.445250 3.705680 
1 1 1    3   23   32 o   75.074   4.3904  685.636   77.492  734.600  109.384  636.300  109.798   76.697   6.0898   70.998   6.6257 5.699089 8.999212 
1 1 1    3   23   33 o   47.714   2.8816  273.362   32.314  263.200   45.505  283.700   45.897   46.384   4.2001   48.220   4.0689 -1.835766 5.847824 
1 1 1    3   23   34 f   46.922   2.9952  265.460   33.014  287.400   46.469  243.100   46.912   48.400   4.1045   44.295   4.5497 4.104839 6.127533 
1 1 1    3   23   35 o   53.660   3.1815  348.947   40.133  383.500   56.801  314.500   56.714   55.651   4.3571   50.084   4.8564 5.566872 6.524520 
1 1 1    3   23   36 o   30.784   2.1773  113.844   15.725  112.900   22.170  114.800   22.308   30.379   3.1356   30.639   3.1273 -0.2598457 4.428476 
1 1 1    3   23   37 o   13.860   1.6861   23.200   5.4043   23.200   7.6302   23.200   7.6556   13.699   2.4486   13.697   2.4572 0.2068520E-02 3.468885 
1 1 1    3   23   38 o   29.893   2.1569  107.653   15.123  111.100   21.376  104.200   21.397   30.076   3.0522   29.075   3.1678 1.000931 4.398961 
1 1 1    3   23   39 o   35.645   2.4491  153.835   20.489  162.100   28.829  145.400   29.125   36.181   3.4147   34.128   3.6718 2.053158 5.014221 
1 1 1    3   23   40 o   23.582   1.8935   66.940   10.455   59.500   14.727   74.500   14.846   21.933   2.9157   24.692   2.5845 -2.758780 3.896230 
1 1 1    3   23   41 o   52.260   3.2084  336.708   39.401  344.500   55.692  328.900   55.751   51.730   4.6075   50.420   4.7382 1.310146 6.609032 
1 1 1    3   23   42 o   43.701   2.7977  234.464   28.719  241.700   40.574  227.200   40.655   43.532   3.9916   42.076   4.1457 1.455318 5.754941 
1 1 1    3   23   43 o   64.992   4.0331  543.268   61.590  567.400   86.979  519.000   87.225   63.650   5.8525   60.274   6.2177 3.376526 8.538845 
1 1 1    3   23   44 o   27.972   2.0720   95.232   13.588   89.700   19.101  100.900   19.336   26.663   3.0911   28.387   2.9265 -1.723551 4.256689 
1 1 1    3   23   45 o   10.429   1.6985   13.414   4.0388   18.300   5.7037   8.5000   5.7198   12.117   2.0676   8.3044   2.6141 3.812704 3.332908 
1 1 1    3   23   46 o   9.2568   1.7294   10.659   3.6413   9.4000   5.1685   11.900   5.1309   8.6087   2.4341   9.6664   2.2841 -1.057753 3.337900 
1 1 1    3   23   47 o   7.2442   2.0203   6.5928   3.5862   12.500   4.7168  -1.5000   5.5208   9.9448   2.0756   5.1488   2.2831 4.795971 3.085564 
1 1 1    3   23   48 o   13.695   1.8295   23.182   5.7686   26.900   7.9281   19.000   8.4092   14.559   2.3889   11.986   2.9830 2.573258 3.821702 
1 1 1    3   23   49 o   9.3725   1.8803   11.137   4.0168   13.000   5.4383   8.9000   5.9584   9.9984   2.3441   8.3564   2.6722 1.642030 3.554622 
1 1 1    3   23   50 o   20.094   2.8446   54.200   13.121   54.200   13.121   0.0000   0.0000   20.094   2.8446  ?   ?  0.000000 2.844616 
1 1 1    3   23   51 o   7.8749   2.3955   8.3000   4.8515   8.3000   4.8515   0.0000   0.0000   7.8749   2.3955  ?   ?  0.000000 2.395468 
1 1 1    3   23   52 o   12.057   2.6486   20.400   7.3347   20.400   7.3347   0.0000   0.0000   12.057   2.6486  ?   ?  0.000000 2.648594 
1 1 1    3   23   53 f   7.3715   2.5920   7.2000   5.5949   7.2000   5.5949   0.0000   0.0000   7.3715   2.5920  ?   ?  0.000000 2.592014 
1 1 1    3   23   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   24    0 o   35.671   3.5153  154.700   28.950  154.700   28.950  154.700   28.950   35.671   3.5153   35.671   3.5153 -0.000000 0.000000 
1 1 1    3   24    1 o   18.540   1.8314   41.002   7.9130   40.900   11.299   41.100   11.085   18.410   2.6776   18.465   2.6154 -0.5495644E-01 3.742996 
1 1 1    3   24    2 o   67.255   3.6070  536.635   57.075  431.100   80.427  643.700   81.008   60.004   5.7465   73.566   4.6876 -13.56213 7.415913 
1 1 1    3   24    3 o  129.235   6.9723  1992.29  211.988  2077.00  299.998  1907.80  299.595  131.335   9.7428  125.729   10.178 5.606140 14.08973 
1 1 1    3   24    4 o  112.521   6.0605  1507.64  160.435  1705.60  227.069  1310.30  226.709  119.319   8.1072  104.253   9.3070 15.06625 12.34286 
1 1 1    3   24    5 o  102.460   5.5907  1249.16  134.752  1073.90  190.572  1424.40  190.564   94.442   8.6411  109.121   7.4399 -14.67854 11.40271 
1 1 1    3   24    6 o   26.518   2.0224   83.564   12.568   85.800   17.921   81.400   17.632   26.786   2.8784   26.078   2.9130 0.7080975 4.095226 
1 1 1    3   24    7 o  212.032   11.245  5428.95  561.030  5662.50  795.048  5197.30  791.794  214.258   15.826  204.840   16.510 9.417816 22.87005 
1 1 1    3   24    8 o  312.809   12.662 11850.63  935.252 15819.40  1332.08  7992.30  1313.41  358.985   15.714  249.419   22.544 109.5658 27.48022 
1 1 1    3   24    9 o  291.981   14.148 10399.09  975.497 12423.70  1384.01  8400.30  1375.16  314.944   18.694  254.953   23.092 59.99118 29.71040 
1 1 1    3   24   10 o  204.608   10.044  5027.68  485.285  5802.10  688.590  4263.50  684.025  217.978   13.443  185.565   15.759 32.41295 20.71440 
1 1 1    3   24   11 o   33.039   2.3537  129.658   18.243  101.500   25.895  157.400   25.703   29.027   3.8747   36.358   3.0212 -7.330963 4.913387 
1 1 1    3   24   12 o  139.720   7.5327  2335.68  247.608  2275.10  350.120  2396.30  350.221  136.902   10.921  140.624   10.625 -3.722076 15.23712 
1 1 1    3   24   13 o  221.840   11.880  5982.21  620.088  6493.30  877.404  5472.20  876.471  228.249   16.388  208.326   17.994 19.92310 24.33799 
1 1 1    3   24   14 o   64.251   3.4150  489.915   51.626  404.700   72.659  576.800   73.367   58.137   5.3528   69.611   4.4872 -11.47415 6.984783 
1 1 1    3   24   15 o  203.794   11.237  5052.70  538.668  5540.50  761.287  4563.60  762.297  210.759   15.403  189.951   17.181 20.80840 23.07493 
1 1 1    3   24   16 o   8.8958   1.7328   9.6731   3.5091   6.5000   4.3356   15.700   5.9752   7.4134   2.2665   11.319   2.3137 -3.905284 3.238894 
1 1 1    3   24   17 o   55.427   3.2784  364.997   42.718  378.800   60.311  351.100   60.514   56.306   4.5756   54.164   4.7804 2.142040 6.617249 
1 1 1    3   24   18 o   35.797   2.3426  152.187   19.693  141.800   27.638  162.900   28.068   34.426   3.4461   36.946   3.2502 -2.520542 4.737055 
1 1 1    3   24   19 o  113.252   6.2566  1538.59  166.671  1670.90  235.543  1405.90  235.874  117.246   8.5669  107.174   9.4158 10.07282 12.72985 
1 1 1    3   24   20 o   81.782   4.6198  798.492   88.850  863.000  125.515  733.700  125.791   84.634   6.3262   77.842   6.9154 6.791405 9.372519 
1 1 1    3   24   21 f   88.414   5.0005  935.902  103.971  1020.80  146.820  850.500  147.256   91.816   6.8205   83.524   7.5478 8.291992 10.17294 
1 1 1    3   24   22 o   47.119   2.7961  264.087   30.972  327.500   43.840  200.900   43.761   52.380   3.5656   40.776   4.6267 11.60327 5.841267 
1 1 1    3   24   23 o   18.507   1.7690   40.882   7.6365   32.100   10.589   50.400   11.024   16.212   2.8710   20.499   2.3181 -4.287123 3.689970 
1 1 1    3   24   24 o   34.800   2.3750  144.175   19.399  150.300   27.271  137.900   27.602   35.401   3.3003   33.862   3.5026 1.539444 4.812494 
1 1 1    3   24   25 o  101.566   5.7324  1251.62  136.921  1340.80  193.398  1162.00  193.873  103.873   7.9450   96.237   8.6227 7.635994 11.72489 
1 1 1    3   24   26 o   77.597   4.3731  724.766   79.804  715.000  112.379  734.700  113.347   76.300   6.2935   77.367   6.2579 -1.066971 8.875189 
1 1 1    3   24   27 o   5.5900   1.8201   3.5626   2.7558   6.2000   3.5748  -0.3000   4.3263   7.1436   2.0259   4.8827   2.0944 2.260959 2.913889 
1 1 1    3   24   28 o   67.727   3.8642  551.558   61.544  538.400   86.737  564.900   87.339   66.261   5.5959   67.928   5.4920 -1.666885 7.840625 
1 1 1    3   24   29 o   42.393   2.6651  214.697   26.543  214.100   37.437  215.300   37.639   42.080   3.8088   42.197   3.8188 -0.1160812 5.393554 
1 1 1    3   24   30 o   50.379   3.0562  304.129   36.186  315.800   51.111  292.400   51.238   50.985   4.2850   48.983   4.4794 2.002201 6.198897 
1 1 1    3   24   31 o   48.658   2.8112  283.478   32.162  253.600   45.135  314.300   45.842   45.604   4.2398   50.946   3.8388 -5.341846 5.719460 
1 1 1    3   24   32 o   34.165   2.2564  139.496   18.102  121.900   25.419  157.600   25.783   31.663   3.4559   36.153   3.0486 -4.489941 4.608418 
1 1 1    3   24   33 o   21.024   1.8958   52.951   9.3105   56.800   13.003   48.900   13.338   21.650   2.5951   19.996   2.9101 1.653847 3.899071 
1 1 1    3   24   34 o   95.248   5.3336  1140.20  119.478  1077.10  168.110  1204.60  169.839   89.196   8.0689   94.973   7.6377 -5.776962 11.11041 
1 1 1    3   24   35 o   9.3699   1.7684   10.786   3.7692   9.4000   5.0064   12.600   5.7269   8.7179   2.3698   10.057   2.4371 -1.338805 3.399294 
1 1 1    3   24   36 o   7.8880   1.7441   7.6973   3.1624   9.8000   4.3766   5.4000   4.5746   8.8788   2.1172   6.9457   2.3475 1.933048 3.161263 
1 1 1    3   24   37 o   3.0131   1.2686   0.1105   1.5374  -2.3000   2.3192   2.0000   2.0533   2.9053   1.3587   4.4163   1.5684 -1.510942 2.075096 
1 1 1    3   24   38 o   6.7836   1.7450   5.6962   2.8112   6.0000   4.0007   5.4000   3.9509   7.0728   2.1797   6.7856   2.1766 0.2872152 3.080380 
1 1 1    3   24   39 o   22.829   1.9034   62.755   10.168   64.100   14.350   61.400   14.408   22.851   2.7125   22.332   2.7933 0.5182457 3.893575 
1 1 1    3   24   40 o   25.781   2.0365   80.199   12.297   86.800   17.328   73.500   17.455   26.581   2.8028   24.327   3.1097 2.254150 4.186388 
1 1 1    3   24   41 o   40.512   2.6184  200.243   24.915  198.500   35.169  202.000   35.301   39.639   3.8040   40.004   3.7818 -0.3655128 5.363981 
1 1 1    3   24   42 o   44.656   2.7906  245.347   29.279  223.600   41.309  267.300   41.505   41.523   4.2742   45.783   3.8755 -4.260414 5.769549 
1 1 1    3   24   43 f   33.727   2.3526  139.119   18.619  143.300   26.272  134.900   26.391   33.649   3.3510   32.551   3.4878 1.098225 4.836740 
1 1 1    3   24   44 o   12.728   1.6728   19.793   4.9059   26.600   6.9673   13.100   6.9091   14.673   2.0682   10.114   2.7984 4.559669 3.479682 
1 1 1    3   24   45 o   15.634   1.7662   29.862   6.4062   35.500   9.0110   24.100   9.1093   16.873   2.3232   13.643   2.9161 3.230358 3.728372 
1 1 1    3   24   46 o   9.5538   1.8772   11.424   4.0838   12.800   5.3478   9.5000   6.3253   10.022   2.3075   8.7261   2.7493 1.295711 3.589310 
1 1 1    3   24   47 o   22.300   1.8644   60.846   9.7273   54.100   13.425   68.300   14.113   20.552   2.8425   23.258   2.6151 -2.706181 3.862453 
1 1 1    3   24   48 o   22.032   1.9373   59.912   9.9767   60.300   13.905   59.500   14.323   21.621   2.7884   21.397   2.9103 0.2237377 4.030512 
1 1 1    3   24   49 o   2.2280   1.0584  -1.8522   1.5102  -2.4000   1.6225   1.7000   4.1315   2.2033   1.0601   5.2428   2.1309 -3.039481 2.380022 
1 1 1    3   24   50 o   8.4560   2.5057   9.6000   5.3596   9.6000   5.3596   0.0000   0.0000   8.4560   2.5057  ?   ?  0.000000 2.505668 
1 1 1    3   24   51 o   8.5715   2.5347   10.100   5.4888   10.100   5.4888   0.0000   0.0000   8.5715   2.5347  ?   ?  0.000000 2.534665 
1 1 1    3   24   52 o   7.0393   2.3996   6.5000   4.7802   6.5000   4.7802   0.0000   0.0000   7.0393   2.3996  ?   ?  0.000000 2.399602 
1 1 1    3   24   53 o  ?   ?   -7.4000   1.2508  -7.4000   1.2508   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   25    0 o  377.488   31.028 18400.80  2722.83 18400.80  2722.83 18400.80  2722.83  377.488   31.028  377.488   31.028 0.000000 0.000000 
1 1 1    3   25    1 o  287.258   15.756 10150.92  1064.70 10230.80  1505.96 10071.10  1505.48  282.332   22.783  279.918   22.979 2.414429 32.35872 
1 1 1    3   25    2 o  100.171   4.6485  1188.77  109.956  830.600  154.697  1554.50  156.320   83.086   7.9831  114.294   5.8112 -31.20779 9.874197 
1 1 1    3   25    3 o   25.097   2.0195   74.896   11.867   90.400   16.757   59.300   16.808   27.533   2.6086   22.148   3.3156 5.384247 4.218807 
1 1 1    3   25    4 o   96.986   5.1379  1118.40  117.247  1310.90  166.270  928.000  165.359  104.772   6.7566   87.839   8.0622 16.93359 10.51905 
1 1 1    3   25    5 o  154.244   8.1512  2847.15  295.833  2980.90  419.315  2714.60  417.434  156.848   11.399  149.459   11.927 7.388947 16.49848 
1 1 1    3   25    6 o  203.889   11.165  5023.73  535.510  4709.80  758.094  5336.40  756.560  194.682   16.651  207.971   15.517 -13.28947 22.76034 
1 1 1    3   25    7 o   50.122   2.7158  297.858   32.023  357.700   45.796  240.600   44.797   54.869   3.5537   44.870   4.2798 9.998672 5.562840 
1 1 1    3   25    8 o  141.829   7.6185  2405.73  254.217  2437.10  360.190  2374.60  358.847  141.837   10.836  139.962   10.945 1.875534 15.40173 
1 1 1    3   25    9 o  177.734   9.5299  3801.17  398.508  3047.00  563.488  4555.80  563.663  156.654   15.433  193.399   12.408 -36.74469 19.80263 
1 1 1    3   25   10 o  117.877   6.1677  1656.54  171.083  1814.50  242.495  1500.00  241.404  122.891   8.4070  111.468   9.2550 11.42272 12.50330 
1 1 1    3   25   11 o  115.626   6.2937  1594.99  171.191  1372.50  242.122  1817.40  242.080  106.440   9.7411  122.973   8.3866 -16.53293 12.85396 
1 1 1    3   25   12 o  295.879   13.538 10718.53  945.896 13323.00  1345.14  8170.90  1330.38  325.550   17.563  249.552   22.829 75.99803 28.80326 
1 1 1    3   25   13 f   86.742   4.7387  895.289   96.695  935.700  137.021  855.200  136.476   88.366   6.6146   84.400   6.9083 3.965645 9.564418 
1 1 1    3   25   14 o  195.673   10.460  4646.57  481.545  5020.60  681.403  4273.40  680.612  200.988   14.454  184.477   15.776 16.51114 21.39597 
1 1 1    3   25   15 o  167.604   9.2282  3397.07  363.819  3730.40  514.153  3062.80  514.884  173.915   12.605  156.682   14.066 17.23232 18.88789 
1 1 1    3   25   16 o  238.919   11.147  6971.91  628.912  5430.20  884.747  8546.60  894.158  204.339   18.538  261.147   14.558 -56.80789 23.57084 
1 1 1    3   25   17 o  248.866   14.136  7789.28  827.318  8185.80  1168.70  7391.00  1171.31  247.515   20.171  233.329   21.501 14.18600 29.48158 
1 1 1    3   25   18 o  163.481   8.2751  3239.04  318.410  2824.10  448.318  3661.40  452.310  149.962   12.782  172.035   11.195 -22.07240 16.99168 
1 1 1    3   25   19 o  149.179   8.0517  2702.52  282.582  2611.80  398.695  2794.10  400.574  144.384   11.797  149.628   11.424 -5.244003 16.42159 
1 1 1    3   25   20 o  158.481   8.1773  3062.97  304.975  2730.00  429.776  3400.70  432.841  146.481   12.546  164.766   11.191 -18.28548 16.81221 
1 1 1    3   25   21 o   43.270   2.6862  222.737   27.311  217.600   38.393  228.000   38.858   42.594   3.8590   43.617   3.8111 -1.022110 5.423707 
1 1 1    3   25   22 o   9.5537   1.9647   11.198   4.2843   16.100   5.7541   5.1000   6.4180   11.469   2.2047   7.4476   2.7546 4.021531 3.528284 
1 1 1    3   25   23 o   61.677   3.5821  454.462   51.946  456.300   73.225  452.600   73.702   61.438   5.0933   61.171   5.1503 0.2672844 7.243382 
1 1 1    3   25   24 o   98.375   5.4731  1171.82  126.637  1166.50  178.678  1177.20  179.507   96.876   7.8790   97.322   7.8786 -0.4460526 11.14233 
1 1 1    3   25   25 f   51.612   3.0027  317.992   36.437  294.400   51.201  342.200   51.865   49.329   4.4432   53.289   4.1545 -3.959629 6.082983 
1 1 1    3   25   26 o   17.510   1.7691   36.674   7.2148   31.500   10.084   42.100   10.327   16.055   2.7594   18.683   2.3959 -2.628004 3.654394 
1 1 1    3   25   27 o   28.355   1.9661   95.751   13.083   80.700   18.212  111.800   18.806   25.850   3.0417   30.554   2.6323 -4.704033 4.022576 
1 1 1    3   25   28 o   57.652   3.3140  398.441   44.927  365.400   63.337  431.900   63.737   54.689   4.9584   59.640   4.5603 -4.950710 6.736609 
1 1 1    3   25   29 o   44.270   2.6906  234.226   27.994  217.200   39.335  251.700   39.848   42.316   3.9834   45.650   3.7292 -3.334335 5.456616 
1 1 1    3   25   30 o   56.081   3.3352  378.166   43.968  379.600   61.833  376.700   62.534   55.679   4.7483   55.432   4.8256 0.2466278 6.769968 
1 1 1    3   25   31 f   58.562   3.4585  413.553   47.614  428.700   67.329  398.400   67.342   59.033   4.8736   56.800   5.0743 2.232681 7.035628 
1 1 1    3   25   32 o   73.302   4.1801  656.109   72.054  634.900  101.447  677.700  102.359   70.782   6.1301   73.270   5.9679 -2.488731 8.555365 
1 1 1    3   25   33 o   47.313   2.9956  270.289   33.295  295.500   46.957  244.800   47.216   49.019   4.0942   44.366   4.5724 4.652668 6.137568 
1 1 1    3   25   34 o   40.440   2.5895  197.064   24.598  194.200   34.576  200.000   35.003   39.719   3.7302   40.317   3.7185 -0.5984001 5.267031 
1 1 1    3   25   35 o   40.188   2.6025  195.011   24.565  196.400   34.604  193.600   34.878   39.880   3.7174   39.564   3.7792 0.3163261 5.301122 
1 1 1    3   25   36 o   27.749   2.0614   92.589   13.411   86.600   18.949   98.600   18.984   26.536   3.0813   28.408   2.8694 -1.871494 4.210458 
1 1 1    3   25   37 o   18.058   1.7701   39.261   7.4507   44.800   10.527   33.700   10.547   19.162   2.3775   16.467   2.8135 2.695482 3.683471 
1 1 1    3   25   38 o   53.524   3.2096  351.584   40.379  331.100   57.013  372.200   57.197   50.758   4.8143   54.092   4.5193 -3.333694 6.603169 
1 1 1    3   25   39 o   15.439   1.7113   28.787   6.1339   30.700   8.7054   26.900   8.6442   15.786   2.4119   14.712   2.5825 1.074033 3.533654 
1 1 1    3   25   40 o   17.038   1.7512   35.053   6.9453   34.500   9.8449   35.600   9.7996   16.690   2.5814   16.976   2.5212 -0.2865658 3.608276 
1 1 1    3   25   41 o   10.330   1.6874   13.085   3.9739   12.400   5.5624   13.800   5.6792   9.9214   2.4003   10.477   2.3531 -0.5554914 3.361348 
1 1 1    3   25   42 o   23.464   1.9420   66.751   10.663   68.200   15.075   65.300   15.085   23.406   2.7821   22.866   2.8561 0.5403137 3.987108 
1 1 1    3   25   43 o   10.827   1.6916   14.402   4.1835   12.800   5.7535   16.200   6.0940   10.035   2.4494   11.327   2.3552 -1.291397 3.398015 
1 1 1    3   25   44 o   12.671   1.7036   19.663   4.9682   18.200   6.9414   21.200   7.1141   11.945   2.5392   12.953   2.4146 -1.008944 3.504006 
1 1 1    3   25   45 o   34.887   2.4288  150.626   19.884  164.400   28.093  136.800   28.147   35.718   3.3707   32.230   3.7696 3.488201 5.056799 
1 1 1    3   25   46 o   15.367   1.8392   29.017   6.5412   35.200   9.0978   22.400   9.4115   16.748   2.3664   13.036   3.1023 3.712045 3.901785 
1 1 1    3   25   47 o   17.611   1.8275   38.108   7.4889   36.700   10.279   39.700   10.933   16.923   2.6602   17.583   2.7210 -0.6602230 3.805281 
1 1 1    3   25   48 o   24.321   2.0752   73.776   11.804   77.300   16.411   70.000   16.989   24.290   2.9197   22.853   3.2389 1.437366 4.360640 
1 1 1    3   25   49 o   23.623   2.0723   70.652   11.443   73.700   15.928   67.400   16.451   23.359   2.9536   22.041   3.2590 1.318323 4.398308 
1 1 1    3   25   50 o   17.803   2.8281   43.700   11.491   43.700   11.491   0.0000   0.0000   17.803   2.8281  ?   ?  0.000000 2.828137 
1 1 1    3   25   51 o   2.2476   1.1051  -4.1000   2.0454  -4.1000   2.0454   0.0000   0.0000   2.2476   1.1051  ?   ?  0.000000 1.105081 
1 1 1    3   25   52 o   5.0317   2.0071   2.1000   3.5916   2.1000   3.5916   0.0000   0.0000   5.0317   2.0071  ?   ?  0.000000 2.007087 
1 1 1    3   26    0 o  292.974   23.482 10791.00  1600.50 10791.00  1600.50 10791.00  1600.50  292.974   23.482  292.974   23.482 0.000000 0.000000 
1 1 1    3   26    1 o  210.723   11.231  5369.92  556.850  4940.40  786.248  5802.20  788.767  199.156   16.877  216.782   15.511 -17.62550 22.92257 
1 1 1    3   26    2 o  213.468   10.296  5478.26  519.013  4201.40  731.443  6773.10  736.573  183.420   17.084  235.619   13.293 -52.19919 21.64658 
1 1 1    3   26    3 o  206.484   10.751  5147.77  522.381  4336.70  737.591  5964.00  739.931  186.417   16.941  220.468   14.290 -34.05107 22.16287 
1 1 1    3   26    4 o  140.887   6.6619  2361.86  221.631  2829.30  315.434  1906.10  311.471  153.534   8.7366  125.399   10.618 28.13470 13.75059 
1 1 1    3   26    5 o  128.636   6.7105  1974.72  203.129  2130.50  288.181  1820.90  286.363  133.011   9.2324  122.714   9.9685 10.29696 13.58707 
1 1 1    3   26    6 o  162.422   8.2883  3161.52  316.828  3505.30  449.400  2821.80  446.737  170.009   11.258  151.956   12.563 18.05318 16.86912 
1 1 1    3   26    7 o   77.554   4.3301  714.786   78.982  574.000  111.692  855.600  111.703   69.081   6.9409   84.698   5.6169 -15.61743 8.928952 
1 1 1    3   26    8 o   58.908   3.3342  411.885   46.190  441.100   65.566  383.100   65.081   60.830   4.5985   56.623   4.9162 4.206917 6.731671 
1 1 1    3   26    9 o   65.940   3.7801  516.486   58.614  511.200   83.176  521.700   82.612   65.389   5.4361   66.076   5.3404 -0.6867371 7.620405 
1 1 1    3   26   10 o  185.760   8.5956  4136.75  377.041  5096.10  535.659  3194.70  530.808  204.861   11.115  160.645   14.137 44.21609 17.98297 
1 1 1    3   26   11 o  207.614   11.550  5252.04  564.015  4888.50  798.839  5613.40  796.441  196.474   17.398  211.665   16.054 -15.19087 23.67362 
1 1 1    3   26   12 o  131.110   6.6618  2055.58  205.570  2305.50  291.914  1809.70  289.540  138.171   8.9960  121.966   10.145 16.20483 13.55932 
1 1 1    3   26   13 f  100.606   4.9093  1202.26  116.629  1453.40  165.721  955.800  164.166  110.206   6.3956   88.948   7.8982 21.25867 10.16291 
1 1 1    3   26   14 o  202.624   11.253  5028.84  536.319  4419.00  758.868  5637.40  758.073  185.194   17.563  211.418   15.288 -26.22397 23.28477 
1 1 1    3   26   15 o  268.352   14.970  9102.31  944.822  9335.70  1338.03  8870.20  1334.34  262.403   21.791  254.833   22.402 7.569977 31.25213 
1 1 1    3   26   16 o   60.993   3.5753  442.620   51.269  460.300   72.263  424.700   72.749   61.985   4.9790   59.478   5.2331 2.507137 7.223280 
1 1 1    3   26   17 o   46.495   2.8641  256.988   31.292  264.500   44.143  249.400   44.365   47.021   4.0141   45.626   4.1637 1.394756 5.783530 
1 1 1    3   26   18 o   95.098   5.3757  1084.21  120.222  1176.00  169.730  991.800  170.311   98.418   7.3565   90.073   8.0937 8.345589 10.93742 
1 1 1    3   26   19 o   38.464   2.2723  175.719   20.547  141.800   28.658  211.600   29.475   34.366   3.5842   42.140   2.9814 -7.773697 4.662058 
1 1 1    3   26   20 o  130.391   7.1442  2068.74  219.133  2017.40  309.280  2120.50  310.525  126.665   10.433  130.057   10.193 -3.391655 14.58570 
1 1 1    3   26   21 o   76.423   4.2842  699.492   77.001  689.200  108.593  709.900  109.203   75.292   6.1619   76.442   6.1006 -1.150146 8.670979 
1 1 1    3   26   22 o   12.863   1.7413   19.932   5.1531   24.500   7.2240   15.200   7.3530   14.212   2.2256   11.103   2.8039 3.109572 3.579844 
1 1 1    3   26   23 o   70.435   4.1212  595.349   68.246  645.600   96.277  544.600   96.753   72.856   5.6402   66.667   6.2178 6.189278 8.394787 
1 1 1    3   26   24 o   36.018   2.3808  154.580   20.135  151.400   28.386  157.800   28.566   35.470   3.4320   36.229   3.3781 -0.7588692 4.815649 
1 1 1    3   26   25 o   31.048   2.2720  114.963   16.542  135.300   23.301   94.300   23.487   33.587   2.9685   27.859   3.6588 5.727924 4.711543 
1 1 1    3   26   26 o   51.043   3.0190  311.496   36.226  297.600   50.953  325.700   51.515   49.539   4.4015   51.889   4.2414 -2.350033 6.112515 
1 1 1    3   26   27 o   95.085   4.9542  1098.87  110.852  960.200  155.895  1240.70  157.658   87.158   7.6521   99.874   6.7241 -12.71550 10.18666 
1 1 1    3   26   28 o   46.020   2.7946  253.253   30.225  241.700   42.478  265.100   43.016   44.635   4.0751   46.804   3.9285 -2.169342 5.660319 
1 1 1    3   26   29 o   23.752   1.9362   67.380   10.765   65.100   15.004   69.800   15.455   23.199   2.7951   24.037   2.7738 -0.8379822 3.937846 
1 1 1    3   26   30 o   35.742   2.3727  152.739   19.912  147.300   28.005  158.300   28.317   34.855   3.4478   36.170   3.3536 -1.314583 4.809764 
1 1 1    3   26   31 o   15.283   1.8361   28.131   6.4935   33.100   8.9468   22.600   9.4393   16.501   2.3637   13.467   3.0403 3.033729 3.851053 
1 1 1    3   26   32 o   47.185   2.9130  268.396   32.298  268.000   45.430  268.800   45.926   46.655   4.1675   46.705   4.2094 -0.5056000E-01 5.923470 
1 1 1    3   26   33 o   60.065   3.4115  439.218   48.188  398.600   67.672  481.000   68.634   56.133   5.1632   62.028   4.7213 -5.895226 6.996420 
1 1 1    3   26   34 o   28.093   2.0869   94.772   13.745   91.800   19.049   98.000   19.854   27.406   2.9920   28.319   3.0154 -0.9126396 4.247926 
1 1 1    3   26   35 o   20.641   1.7588   51.128   8.4909   44.300   11.673   58.800   12.374   18.993   2.6770   21.997   2.4223 -3.004690 3.610238 
1 1 1    3   26   36 o   20.755   1.9052   51.873   9.2331   56.000   12.873   47.500   13.251   21.399   2.6010   19.582   2.9578 1.816509 3.938725 
1 1 1    3   26   37 o   8.9173   1.6835   9.7837   3.4150   8.7000   4.7941   10.900   4.8658   8.3835   2.3351   9.3458   2.2350 -0.9623652 3.232324 
1 1 1    3   26   38 o   35.252   2.3304  150.205   19.290  136.200   27.188  164.400   27.373   33.065   3.5370   36.521   3.2066 -3.455082 4.774112 
1 1 1    3   26   39 o   8.2700   1.7836   8.4819   3.3807   12.000   4.7275   4.8000   4.8363   9.8170   2.1027   6.7644   2.4066 3.052555 3.195763 
1 1 1    3   26   40 o   31.937   2.3873  124.145   17.873  138.000   25.017  109.700   25.544   33.284   3.2234   29.363   3.7713 3.921509 4.961131 
1 1 1    3   26   41 o   21.113   1.8573   53.949   9.1656   54.200   12.976   53.700   12.948   20.888   2.6935   20.787   2.7017 0.1007767 3.815038 
1 1 1    3   26   42 o   7.0959   1.7757   6.2866   2.9683   7.9000   4.0948   4.5000   4.3089   7.9406   2.1368   6.4524   2.2741 1.488155 3.120521 
1 1 1    3   26   43 o   10.993   1.7889   14.919   4.4839   19.600   6.2333   9.9000   6.4550   12.522   2.1877   8.9188   2.7721 3.603182 3.531333 
1 1 1    3   26   44 o   5.9694   1.7084   4.4005   2.5303   0.3000   3.3987   9.5000   3.7901   4.4519   1.8809   8.6972   1.8987 -4.245239 2.672674 
1 1 1    3   26   45 o   10.318   1.7159   13.172   4.0340   12.100   5.6340   14.300   5.7786   9.7177   2.4545   10.586   2.3707 -0.8679447 3.412472 
1 1 1    3   26   46 o   33.399   2.4764  139.240   19.391  145.000   26.789  132.900   28.106   33.256   3.4621   31.455   3.8652 1.800484 5.189004 
1 1 1    3   26   47 o   24.085   1.9968   71.761   11.254   67.300   15.526   76.700   16.336   22.717   2.9651   24.315   2.9025 -1.597445 4.149212 
1 1 1    3   26   48 o   19.074   1.9448   45.568   8.6373   53.200   12.049   37.500   12.389   20.205   2.5845   16.436   3.3065 3.768515 4.196751 
1 1 1    3   26   49 o   31.408   3.7631  146.000   27.353  146.000   27.353   0.0000   0.0000   31.408   3.7631  ?   ?  0.000000 3.763091 
1 1 1    3   26   50 o   15.985   2.7877   35.500   10.140   35.500   10.140   0.0000   0.0000   15.985   2.7877  ?   ?  0.000000 2.787686 
1 1 1    3   26   51 o   8.7333   2.5573   10.700   5.6115   10.700   5.6115   0.0000   0.0000   8.7333   2.5573  ?   ?  0.000000 2.557271 
1 1 1    3   26   52 o   12.384   2.8987   22.500   8.3272   22.500   8.3272   0.0000   0.0000   12.384   2.8987  ?   ?  0.000000 2.898744 
1 1 1    3   27    0 o   43.345   3.9808  227.700   39.954  227.700   39.954  227.700   39.954   43.345   3.9808   43.345   3.9808 -0.000000 0.000000 
1 1 1    3   27    1 o   93.416   5.1741  1038.58  113.691  1069.40  160.708  1007.70  160.859   94.439   7.2621   91.611   7.5017 2.828331 10.44098 
1 1 1    3   27    2 f   62.428   3.6069  462.785   52.945  484.400   74.902  441.200   74.848   63.708   5.0196   60.747   5.2701 2.960510 7.278081 
1 1 1    3   27    3 f   96.050   5.2275  1098.05  118.117  1012.90  166.849  1183.60  167.238   91.784   7.7712   99.391   7.1739 -7.607178 10.57622 
1 1 1    3   27    4 o  187.093   9.3106  4201.71  411.338  4743.10  584.361  3670.00  579.113  197.068   12.624  172.399   14.356 24.66927 19.11689 
1 1 1    3   27    5 o   91.820   5.1481  1003.73  111.170  889.600  157.381  1117.40  157.057   85.937   7.8419   96.584   6.9325 -10.64632 10.46683 
1 1 1    3   27    6 o   46.511   2.6039  256.563   28.483  303.000   40.703  212.000   39.873   50.482   3.4349   42.110   4.0601 8.371677 5.318181 
1 1 1    3   27    7 o  184.014   9.2725  4080.03  401.617  4641.50  569.826  3525.80  566.138  194.757   12.456  168.657   14.352 26.10005 19.00308 
1 1 1    3   27    8 o  163.920   8.8575  3235.55  341.579  2817.60  483.036  3653.60  483.096  150.880   13.707  172.890   11.906 -22.01079 18.15588 
1 1 1    3   27    9 o   80.942   4.6407  779.839   88.328  656.200  125.087  902.800  124.744   73.762   7.2764   86.864   6.1208 -13.10170 9.508373 
1 1 1    3   27   10 o   83.342   4.6904  827.018   91.933  795.900  130.366  857.800  129.662   81.366   6.8488   84.555   6.5449 -3.189194 9.473270 
1 1 1    3   27   11 o  138.163   7.2802  2290.74  236.680  2429.90  335.699  2153.20  333.740  141.263   10.131  132.684   10.744 8.579712 14.76735 
1 1 1    3   27   12 o  149.635   7.0020  2679.72  247.410  3270.90  351.662  2100.30  348.145  164.326   9.0982  130.588   11.404 33.73787 14.58898 
1 1 1    3   27   13 o  290.261   15.527 10704.22  1060.38 11894.70  1503.75  9526.80  1495.48  296.427   21.632  260.409   24.612 36.01825 32.76733 
1 1 1    3   27   14 o  107.535   5.8788  1385.07  148.713  1128.30  210.300  1641.90  210.324   95.928   9.4049  116.540   7.6860 -20.61170 12.14602 
1 1 1    3   27   15 o   49.310   2.6621  288.653   30.882  348.400   44.127  231.300   43.234   54.092   3.4730   43.919   4.2207 10.17272 5.465930 
1 1 1    3   27   16 o   32.714   2.2066  127.185   16.946  134.700   24.417  120.200   23.539   33.567   3.1160   31.683   3.1897 1.884655 4.459068 
1 1 1    3   27   17 o   52.739   3.1463  331.050   39.005  328.800   55.157  333.300   55.164   52.340   4.5068   52.705   4.4748 -0.3654289 6.350942 
1 1 1    3   27   18 f   55.269   3.2186  363.798   41.825  344.900   58.914  383.000   59.387   53.544   4.7074   56.490   4.4890 -2.946106 6.504681 
1 1 1    3   27   19 o   82.213   4.5920  810.127   88.790  802.400  125.382  817.900  125.754   81.179   6.5979   81.982   6.5506 -0.8024826 9.297468 
1 1 1    3   27   20 o   4.2167   1.6032   1.4563   2.2061   0.7000   2.8972   2.5000   3.4033   4.3257   1.7742   5.3412   1.9999 -1.015502 2.673486 
1 1 1    3   27   21 o   99.937   5.5975  1208.91  131.563  1242.40  185.751  1175.20  186.366  100.104   7.9228   97.181   8.1978 2.922707 11.40063 
1 1 1    3   27   22 o   54.704   3.2486  357.515   41.775  359.400   58.848  355.600   59.313   54.527   4.6138   54.218   4.6786 0.3086586 6.570869 
1 1 1    3   27   23 f  101.309   5.7119  1249.55  136.087  1286.80  192.078  1212.00  192.837  101.297   8.0977   98.071   8.4083 3.226112 11.67359 
1 1 1    3   27   24 o   48.907   2.9826  285.783   34.281  294.800   48.393  276.700   48.569   49.398   4.1881   47.804   4.3503 1.594177 6.038648 
1 1 1    3   27   25 o   54.196   3.2588  351.729   41.511  385.600   58.637  317.700   58.774   56.425   4.4366   51.027   4.9396 5.398540 6.639522 
1 1 1    3   27   26 o   21.316   1.8717   54.263   9.3260   55.000   13.078   53.500   13.303   21.341   2.6524   21.027   2.7447 0.3140965 3.816876 
1 1 1    3   27   27 o   61.411   3.4158  452.728   49.338  412.400   69.209  494.400   70.353   58.014   5.1040   63.723   4.7088 -5.708916 6.944309 
1 1 1    3   27   28 o   18.070   1.7693   39.076   7.4528   45.900   10.558   32.300   10.522   19.510   2.3383   16.222   2.8507 3.288027 3.687042 
1 1 1    3   27   29 o   51.684   3.1133  320.991   37.819  319.900   53.271  322.100   53.701   51.135   4.4563   51.303   4.4777 -0.1682510 6.317297 
1 1 1    3   27   30 o   15.120   1.7230   27.476   6.0418   17.600   8.4315   37.900   8.6620   11.889   3.0025   17.726   2.1109 -5.836894 3.670294 
1 1 1    3   27   31 f   62.422   3.6912  474.187   54.166  479.300   76.328  469.000   76.880   61.814   5.2798   61.071   5.3863 0.7438126 7.542489 
1 1 1    3   27   32 o   32.857   2.3567  129.772   18.164  140.700   25.490  118.500   25.889   33.968   3.2162   31.021   3.6013 2.947218 4.828379 
1 1 1    3   27   33 o   26.005   2.0540   81.211   12.510   84.800   17.546   77.500   17.843   26.373   2.8634   25.140   3.0694 1.233469 4.197655 
1 1 1    3   27   34 o   44.530   2.7456  240.156   28.730  226.000   40.290  254.800   40.979   42.567   4.0574   45.326   3.8657 -2.758904 5.604086 
1 1 1    3   27   35 o   25.989   2.0862   81.349   12.695   87.200   17.734   75.200   18.181   26.692   2.8581   24.654   3.1983 2.037254 4.289295 
1 1 1    3   27   36 o   26.506   2.0763   84.630   12.892   90.400   18.108   78.700   18.358   27.164   2.8663   25.230   3.1501 1.934185 4.258949 
1 1 1    3   27   37 o   17.813   1.8166   38.276   7.5342   41.200   10.523   35.200   10.793   18.324   2.4969   16.826   2.8159 1.498236 3.763457 
1 1 1    3   27   38 o   27.184   2.0464   89.090   13.040   87.300   18.390   90.900   18.492   26.606   2.9782   27.174   2.9281 -0.5674591 4.176535 
1 1 1    3   27   39 o   26.412   2.0705   84.361   12.810   96.000   18.069   72.600   18.163   27.934   2.7761   24.059   3.2828 3.875299 4.299262 
1 1 1    3   27   40 o   2.0990   0.9819  -1.2128   1.2129  -2.0000   1.4956   0.3000   2.0732   2.1826   1.0414   3.5537   1.4832 -1.371069 1.812270 
1 1 1    3   27   41 o   18.837   1.7850   42.985   7.8448   40.900   11.054   45.100   11.135   18.092   2.6675   19.062   2.5367 -0.9698658 3.681072 
1 1 1    3   27   42 o   20.128   1.8333   49.228   8.6178   47.300   12.119   51.200   12.257   19.403   2.7198   20.239   2.6265 -0.8358040 3.780996 
1 1 1    3   27   43 o   31.977   2.2911  125.719   17.186  131.900   24.267  119.500   24.342   32.138   3.2420   30.430   3.4485 1.708094 4.733115 
1 1 1    3   27   44 o   10.611   1.7126   13.900   4.1452   13.900   5.6704   13.900   6.0748   10.447   2.3549   10.416   2.5013 0.3062916E-01 3.435408 
1 1 1    3   27   45 o   6.7842   1.9733   5.7285   3.3512   7.9000   4.2593   2.2000   5.4294   7.9038   2.2009   6.0350   2.4464 1.868711 3.290710 
1 1 1    3   27   46 o   20.450   1.9721   51.633   9.4050   59.500   13.114   43.300   13.496   21.621   2.6222   18.032   3.2908 3.588820 4.207769 
1 1 1    3   27   47 o   8.7493   2.1306   9.8955   4.3608   15.000   5.5957   2.0000   6.9593   10.758   2.2738   6.4832   2.7126 4.275254 3.539523 
1 1 1    3   27   48 o   14.877   1.9998   28.151   6.8474   36.500   9.3514   18.500   10.054   16.696   2.4443   11.322   3.4494 5.374118 4.227693 
1 1 1    3   27   49 o   18.094   2.8132   45.100   11.630   45.100   11.630   0.0000   0.0000   18.094   2.8132  ?   ?  0.000000 2.813233 
1 1 1    3   27   50 o  ?   ?   -8.6000   1.2061  -8.6000   1.2061   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   27   51 o   8.4498   2.6336  10.0000   5.8219  10.0000   5.8219   0.0000   0.0000   8.4498   2.6336  ?   ?  0.000000 2.633648 
1 1 1    3   28    0 o   19.645   3.0605   48.800   13.171   48.800   13.171   48.800   13.171   19.645   3.0605   19.645   3.0605 0.000000 0.000000 
1 1 1    3   28    1 o  117.751   5.8618  1649.16  162.990  1304.90  229.468  1999.70  231.551  103.725   9.4732  129.118   7.6283 -25.39278 12.16275 
1 1 1    3   28    2 o  121.846   6.6060  1774.53  189.360  1722.20  267.494  1827.10  268.099  119.231   9.5818  122.917   9.3058 -3.685913 13.35694 
1 1 1    3   28    3 o  183.796   9.7440  4082.34  421.389  4293.80  597.294  3872.80  594.585  186.477   13.659  176.636   14.380 9.841187 19.83338 
1 1 1    3   28    4 o   63.562   3.7340  480.139   55.799  446.300   79.194  513.500   78.632   61.024   5.5567   65.560   5.1199 -4.535931 7.555754 
1 1 1    3   28    5 o  123.385   6.7062  1821.25  194.656  1828.50  276.248  1814.10  274.333  122.799   9.6032  122.321   9.5740 0.4776764 13.56036 
1 1 1    3   28    6 o  134.399   7.0788  2163.83  223.862  2302.50  317.589  2026.90  315.597  137.748   9.8283  128.968   10.453 8.780106 14.34781 
1 1 1    3   28    7 o  111.164   5.3454  1469.37  140.316  987.700  197.828  1957.00  199.050   90.011   9.4484  127.887   6.6140 -37.87567 11.53330 
1 1 1    3   28    8 o   83.518   4.1735  827.298   82.309  994.400  117.024  663.700  115.790   91.260   5.4554   74.256   6.6748 17.00377 8.620585 
1 1 1    3   28    9 o   35.902   2.5096  153.188   21.142  129.600   30.119  176.100   29.684   32.825   3.9662   38.422   3.3040 -5.597126 5.162061 
1 1 1    3   28   10 o  143.127   7.9297  2470.77  266.954  2032.00  377.732  2908.60  377.329  127.636   12.701  154.175   10.426 -26.53868 16.43236 
1 1 1    3   28   11 f  185.475   10.202  4207.71  445.102  4142.30  630.258  4272.80  628.682  180.527   14.918  183.618   14.621 -3.090927 20.88831 
1 1 1    3   28   12 o   87.229   4.7432  907.891   97.333  957.900  138.009  858.400  137.292   89.177   6.6007   84.298   6.9593 4.879105 9.591693 
1 1 1    3   28   13 o   78.402   4.3410  733.034   80.053  761.700  113.543  704.700  112.885   79.548   6.0909   76.442   6.3102 3.106155 8.770248 
1 1 1    3   28   14 o   55.160   3.4169  362.329   44.287  297.000   62.815  426.900   62.450   49.564   5.4575   59.725   4.4603 -10.16088 7.048276 
1 1 1    3   28   15 o   90.020   4.3315  964.915   92.075  1176.00  131.337  760.900  129.118   98.935   5.6452   79.122   6.9825 19.81385 8.979023 
1 1 1    3   28   16 o   63.506   3.5885  480.748   53.593  534.200   76.009  427.900   75.578   66.700   4.8593   59.525   5.4369 7.175072 7.291984 
1 1 1    3   28   17 o   89.982   4.8096  970.870  101.825  1053.20  144.650  890.000  143.362   93.105   6.6225   85.336   7.1812 7.769600 9.768735 
1 1 1    3   28   18 o  102.290   5.6530  1263.13  136.015  1236.20  192.120  1290.20  192.588   99.988   8.2094  102.253   8.0410 -2.264885 11.49140 
1 1 1    3   28   19 o  131.631   6.9023  2116.03  213.794  1774.20  301.447  2462.00  303.263  117.545   10.988  140.233   9.2093 -22.68784 14.33682 
1 1 1    3   28   20 o   48.183   2.9751  276.942   33.685  262.200   47.788  291.500   47.488   46.594   4.3953   49.212   4.1245 -2.618080 6.027499 
1 1 1    3   28   21 o   69.937   3.9258  586.578   64.570  647.100   91.600  526.800   91.036   72.994   5.3516   65.606   5.9408 7.388748 7.995757 
1 1 1    3   28   22 o   87.825   5.0086  933.543  103.440  977.000  145.963  889.700  146.611   88.826   7.0160   84.510   7.4220 4.316315 10.21323 
1 1 1    3   28   23 o   68.010   3.9573  555.985   63.279  610.000   89.378  501.700   89.602   70.724   5.3925   63.850   6.0137 6.873699 8.077356 
1 1 1    3   28   24 o   59.620   3.4606  426.156   48.510  474.800   68.635  377.600   68.573   62.559   4.6800   55.538   5.2929 7.021671 7.065187 
1 1 1    3   28   25 o  ?   ?   -7.5349   0.6136  -5.1000   0.7466 -12.6000   1.0768  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   28   26 o   23.225   1.8961   64.380   10.308   60.900   14.250   68.200   14.930   22.448   2.7454   23.781   2.7069 -1.332741 3.855455 
1 1 1    3   28   27 o   21.694   1.8483   56.216   9.3783   65.500   13.361   47.200   13.167   23.334   2.4620   19.677   2.9225 3.656694 3.821355 
1 1 1    3   28   28 o   40.307   2.5446  194.402   24.095  185.100   33.898  203.900   34.255   39.030   3.7231   41.025   3.5716 -1.994793 5.159298 
1 1 1    3   28   29 o   12.933   1.6921   20.178   5.0434   18.900   7.0720   21.500   7.1945   12.368   2.5074   13.232   2.3906 -0.8640146 3.464372 
1 1 1    3   28   30 o   57.847   3.4546  405.840   46.974  412.400   66.230  399.200   66.634   57.545   4.9214   56.538   5.0440 1.007133 7.047126 
1 1 1    3   28   31 o   52.998   3.0653  339.954   38.198  302.000   53.574  379.200   54.478   49.151   4.6721   55.406   4.1950 -6.255299 6.279064 
1 1 1    3   28   32 o   17.711   1.8506   37.757   7.6253   45.300   10.676   29.900   10.895   19.305   2.3932   15.466   3.0913 3.838903 3.909435 
1 1 1    3   28   33 o   46.196   2.8876  258.940   31.342  257.600   44.167  260.300   44.482   45.427   4.1637   45.662   4.1715 -0.2346306 5.893879 
1 1 1    3   28   34 o   31.409   2.2526  118.898   16.596  126.800   23.400  110.900   23.542   32.148   3.1218   29.945   3.3890 2.202953 4.607729 
1 1 1    3   28   35 o   23.685   2.0186   67.582   11.182   73.900   15.597   60.900   16.040   24.580   2.7334   22.155   3.1552 2.425297 4.174504 
1 1 1    3   28   36 o   17.522   1.8643   37.079   7.5953   42.400   10.526   31.300   10.970   18.608   2.4556   15.785   3.0535 2.823596 3.918422 
1 1 1    3   28   37 o   32.014   2.1121  123.484   15.877  106.500   22.160  141.400   22.759   29.313   3.2565   33.992   2.8620 -4.679598 4.335419 
1 1 1    3   28   38 f   31.380   2.2420  119.229   16.504  131.700   23.312  106.700   23.367   32.649   3.0595   29.179   3.4586 3.469721 4.617577 
1 1 1    3   28   39 o   42.758   2.6839  223.895   26.961  205.900   38.018  242.100   38.240   40.078   4.0738   43.750   3.7374 -3.671959 5.528455 
1 1 1    3   28   40 o   37.775   2.5521  175.003   22.631  189.400   31.947  160.500   32.064   38.658   3.5390   35.300   3.9123 3.357056 5.275472 
1 1 1    3   28   41 o   25.999   2.0668   82.360   12.584   90.100   17.728   74.500   17.865   26.844   2.8398   24.203   3.2046 2.641560 4.281861 
1 1 1    3   28   42 o   25.838   1.9430   81.251   11.768   71.200   16.407   91.900   16.889   23.694   2.9996   27.141   2.6697 -3.447172 4.015580 
1 1 1    3   28   43 o   8.2729   1.7544   8.5561   3.3210   9.9000   4.6860   7.2000   4.7073   8.8329   2.2426   7.6469   2.3657 1.186059 3.259716 
1 1 1    3   28   44 o   30.012   2.2040  110.905   15.511  112.600   21.902  109.200   21.969   29.602   3.1833   29.097   3.2530 0.5049877 4.551476 
1 1 1    3   28   45 o   16.583   1.8291   33.799   7.0435   37.100   9.8194   30.300   10.109   17.106   2.5051   15.248   2.9138 1.857976 3.842628 
1 1 1    3   28   46 o   13.028   1.8127   21.115   5.4252   22.300   7.3530   19.700   8.0374   13.134   2.4614   12.167   2.8478 0.9663696 3.764120 
1 1 1    3   28   47 o   10.725   1.8983   14.648   4.6317   13.300   6.0219   16.600   7.2475   9.9696   2.5483   11.051   2.7798 -1.081852 3.771072 
1 1 1    3   28   48 o   10.207   2.0232   13.579   4.7042   12.100   6.7207   15.000   6.5867   9.3454   2.8142   10.434   2.6641 -1.088605 3.875202 
1 1 1    3   28   49 o   12.023   2.8688   20.600   8.0311   20.600   8.0311   0.0000   0.0000   12.023   2.8688  ?   ?  0.000000 2.868839 
1 1 1    3   28   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   28   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   29    0 o   58.241   4.9415  410.300   66.834  410.300   66.834  410.300   66.834   58.241   4.9415   58.241   4.9415 -0.000000 0.000000 
1 1 1    3   29    1 o   38.732   2.5055  178.153   22.793  166.600   32.033  190.000   32.438   37.319   3.6831   39.903   3.4774 -2.583881 5.065350 
1 1 1    3   29    2 o  152.016   7.7078  2777.63  275.777  2228.60  388.754  3333.80  391.273  134.206   12.408  165.577   10.055 -31.37085 15.97022 
1 1 1    3   29    3 o   61.426   3.5457  448.462   51.212  453.300   72.715  443.700   72.139   61.551   5.0473   60.889   5.0632 0.6622772 7.149233 
1 1 1    3   29    4 o  226.972   12.394  6353.90  661.747  6504.60  938.037  6204.60  933.683  224.639   17.830  218.969   18.223 5.669724 25.49492 
1 1 1    3   29    5 o  181.270   9.8618  3996.97  420.538  4030.40  595.936  3963.80  593.532  179.259   14.195  177.714   14.264 1.545883 20.12319 
1 1 1    3   29    6 o  149.947   6.4554  2687.25  228.572  3533.80  325.952  1868.20  320.613  171.374   8.0547  123.108   11.150 48.26608 13.75495 
1 1 1    3   29    7 o   50.932   3.0904  308.297   36.992  267.600   52.376  348.800   52.252   47.208   4.7636   54.056   4.1246 -6.848232 6.301135 
1 1 1    3   29    8 o  153.018   8.0700  2830.12  290.563  3051.70  411.980  2610.80  409.865  157.279   11.165  144.882   12.091 12.39664 16.45755 
1 1 1    3   29    9 o  136.573   6.7252  2236.14  216.886  2605.30  308.227  1874.10  305.242  146.306   8.9649  123.255   10.590 23.05106 13.87545 
1 1 1    3   29   10 o   95.421   5.3110  1089.33  119.195  1065.00  169.027  1113.40  168.112   93.670   7.7102   95.862   7.4860 -2.192078 10.74654 
1 1 1    3   29   11 o   20.210   1.8918   48.714   8.9230   46.700   12.832   50.600   12.416   19.655   2.8478   20.508   2.6240 -0.8536129 3.872429 
1 1 1    3   29   12 o   72.669   4.1590  630.074   71.071  565.500  100.605  694.400  100.413   68.357   6.3037   75.978   5.6370 -7.621201 8.456477 
1 1 1    3   29   13 o   57.217   3.3700  389.898   45.332  343.100   64.142  436.600   64.076   53.340   5.1568   60.359   4.5287 -7.019012 6.863058 
1 1 1    3   29   14 o   14.724   1.6707   25.963   5.7062   34.900   8.4903   18.600   7.7062   17.038   2.1587   12.289   2.7269 4.748956 3.477925 
1 1 1    3   29   15 o  176.137   8.3896  3804.81  348.944  4622.80  496.043  3003.50  490.959  191.323   11.026  151.219   13.905 40.10413 17.74626 
1 1 1    3   29   16 o   89.924   5.0266  972.102  106.308  957.100  150.605  987.000  150.082   88.367   7.2823   89.810   7.1357 -1.443001 10.19558 
1 1 1    3   29   17 o  109.705   6.0658  1458.97  156.526  1467.60  221.685  1450.40  221.039  108.545   8.7227  107.884   8.7520 0.6604385 12.35650 
1 1 1    3   29   18 o   98.082   5.6774  1165.51  130.929  1045.70  185.712  1283.90  184.617   91.321   8.7180  101.875   7.7320 -10.55392 11.65277 
1 1 1    3   29   19 o   63.017   3.6239  475.250   53.699  403.100   75.916  547.500   75.969   57.448   5.6702   67.322   4.8105 -9.873718 7.435848 
1 1 1    3   29   20 o   31.569   2.2233  118.731   16.468  113.600   23.136  124.000   23.445   30.718   3.2384   32.127   3.1302 -1.409098 4.503951 
1 1 1    3   29   21 o   10.338   1.9153   13.062   4.5031   13.600   6.0629   12.400   6.7252   10.495   2.4850   10.056   2.7521 0.4387827 3.707962 
1 1 1    3   29   22 o   19.396   1.8374   44.957   8.3149   41.800   11.773   48.100   11.745   18.547   2.7731   19.962   2.5499 -1.414968 3.767296 
1 1 1    3   29   23 o   69.751   3.9188  585.280   64.284  509.000   90.723  662.200   91.102   64.202   6.0557   73.669   5.2719 -9.466591 8.028958 
1 1 1    3   29   24 o   65.387   3.7744  514.337   58.030  564.000   82.119  464.800   82.015   67.948   5.1565   61.408   5.7218 6.540199 7.702538 
1 1 1    3   29   25 o   51.908   3.1401  323.051   38.308  323.900   54.143  322.200   54.209   51.570   4.4910   51.427   4.5094 0.1424637 6.364259 
1 1 1    3   29   26 o  108.914   6.1269  1474.46  156.934  1425.40  221.509  1523.90  222.371  104.009   9.1109  107.928   8.8020 -3.918999 12.66823 
1 1 1    3   29   27 o   56.171   3.3645  380.161   44.421  386.900   62.539  373.300   63.107   56.112   4.7650   55.046   4.9065 1.065865 6.839510 
1 1 1    3   29   28 o   62.211   3.2932  466.789   48.206  372.500   67.573  564.500   68.789   54.630   5.3051   67.934   4.3105 -13.30417 6.835551 
1 1 1    3   29   29 o   33.343   2.2564  133.182   17.661  119.900   24.913  146.600   25.040   31.329   3.4233   34.780   3.0808 -3.450710 4.605439 
1 1 1    3   29   30 o   42.108   2.6513  213.572   26.228  205.400   36.917  221.900   37.270   40.838   3.8747   42.513   3.7511 -1.674831 5.392951 
1 1 1    3   29   31 o   61.668   3.6373  465.612   52.731  458.200   74.140  473.200   75.015   60.009   5.2861   61.012   5.2581 -1.003094 7.455904 
1 1 1    3   29   32 o   36.247   2.3909  158.297   20.350  147.400   28.397  169.800   29.176   34.566   3.5286   37.194   3.3581 -2.628227 4.871122 
1 1 1    3   29   33 o   5.9830   1.9572   4.1132   3.1854   8.3000   4.3557  -0.7000   4.6702   8.1852   2.2044   4.9486   2.1495 3.236684 3.078870 
1 1 1    3   29   34 o   16.132   1.7761   31.400   6.6538   32.000   9.4099   30.800   9.4099   16.109   2.5594   15.783   2.6165 0.3257189 3.660081 
1 1 1    3   29   35 o   54.085   3.2452  358.770   41.254  339.100   58.079  378.800   58.609   51.425   4.8397   54.584   4.5898 -3.158657 6.670009 
1 1 1    3   29   36 o   37.631   2.3899  171.253   21.127  154.400   29.419  189.200   30.358   35.202   3.5894   39.144   3.3155 -3.941673 4.886303 
1 1 1    3   29   37 o   21.044   1.9346   53.494   9.5059   56.200   13.117   50.500   13.795   21.369   2.6568   20.130   2.9932 1.238804 4.002236 
1 1 1    3   29   38 f   39.895   2.7897  195.375   26.115  231.700   36.745  158.300   37.122   42.888   3.6634   34.747   4.6402 8.140270 5.912033 
1 1 1    3   29   39 o   11.687   1.7142   16.702   4.5903   16.500   6.5168   16.900   6.4668   11.433   2.4847   11.584   2.4412 -0.1500835 3.483290 
1 1 1    3   29   40 o   24.548   1.9269   73.112   11.080   86.600   15.721   59.800   15.618   26.477   2.5459   21.704   3.1386 4.772892 4.041280 
1 1 1    3   29   41 o   26.972   2.1039   88.859   13.294   95.800   18.722   81.800   18.880   27.602   2.9166   25.311   3.2327 2.290495 4.353956 
1 1 1    3   29   42 o   20.394   1.8733   50.694   8.9202   55.600   12.559   45.700   12.672   21.084   2.5761   18.935   2.9286 2.149525 3.900384 
1 1 1    3   29   43 o   22.174   1.9124   60.050   9.9156   60.000   14.003   60.100   14.043   21.771   2.7878   21.786   2.7941 -0.1515961E-01 3.946985 
1 1 1    3   29   44 o   3.0295   1.3333  -0.4866   1.8492   0.1000   2.0268  -3.4000   4.5169   3.4183   1.4488   4.2031   1.9417 -0.7848113 2.422652 
1 1 1    3   29   45 o   3.7848   1.5577   0.5939   2.2426   0.8000   2.6698   0.1000   4.1329   4.1571   1.7039   4.7875   2.0501 -0.6304078 2.665778 
1 1 1    3   29   46 f   9.0937   1.9561   10.608   4.0757   10.100   5.3679   11.300   6.2628   8.7615   2.4817   9.2197   2.7022 -0.4582300 3.668876 
1 1 1    3   29   47 o   8.9736   1.7045   10.257   3.4797   5.0000   4.5845   17.400   5.3444   6.5401   2.3414   11.611   2.0227 -5.071103 3.094093 
1 1 1    3   29   48 o   18.493   1.9668   43.779   8.4574   45.400   12.244   42.300   11.696   17.990   2.9870   17.383   2.9552 0.6069126 4.201805 
1 1 1    3   29   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   29   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   30    0 o  161.973   12.857  3236.20  484.633  3236.20  484.633  3236.20  484.633  161.973   12.857  161.973   12.857 -0.000000 0.000000 
1 1 1    3   30    1 o  121.375   6.6010  1768.93  188.479  1714.90  266.021  1823.40  267.082  118.408   9.5968  122.234   9.3235 -3.826630 13.38007 
1 1 1    3   30    2 o  120.221   6.5266  1735.11  184.585  1770.40  261.558  1700.10  260.531  120.445   9.2675  117.947   9.4332 2.497917 13.22393 
1 1 1    3   30    3 o   43.940   2.7061  229.370   27.941  239.600   39.771  219.400   39.263   44.783   3.7967   42.821   3.9267 1.961975 5.462046 
1 1 1    3   30    4 o   61.706   3.4986  452.859   50.768  328.400   71.728  577.800   71.867   52.105   5.9357   69.592   4.3958 -17.48758 7.386183 
1 1 1    3   30    5 o  135.600   7.4604  2219.56  237.962  1873.70  336.629  2565.00  336.429  122.550   11.778  144.620   9.9113 -22.06975 15.39303 
1 1 1    3   30    6 o   57.706   3.3649  396.122   45.653  399.600   64.828  392.700   64.302   57.740   4.7982   57.235   4.8021 0.5050163 6.788452 
1 1 1    3   30    7 o  186.651   10.416  4295.75  457.268  4157.00  647.728  4433.60  645.627  179.130   15.465  185.653   14.851 -6.523315 21.44116 
1 1 1    3   30    8 o   89.188   5.0968  952.021  106.897  837.400  151.454  1065.80  150.897   82.855   7.8340   93.888   6.8536 -11.03307 10.40885 
1 1 1    3   30    9 o  116.243   6.3061  1626.89  172.449  1681.00  244.465  1573.30  243.299  117.055   8.9113  113.088   9.1904 3.966736 12.80138 
1 1 1    3   30   10 o   11.523   1.8529   16.098   4.8711   18.400   7.7585   14.600   6.2584   12.222   2.7543   10.889   2.4884 1.333078 3.711865 
1 1 1    3   30   11 o   45.974   2.8403  251.478   30.684  195.700   43.404  307.200   43.382   40.241   4.6535   50.716   3.6468 -10.47479 5.912205 
1 1 1    3   30   12 o   89.400   5.0198  958.929  105.543  922.200  149.524  995.400  148.999   86.877   7.3577   90.408   7.0347 -3.531471 10.17956 
1 1 1    3   30   13 o   86.065   4.3620  886.119   88.360  1042.10  125.772  734.100  124.164   92.915   5.7608   77.555   6.8503 15.35976 8.950611 
1 1 1    3   30   14 o   60.955   3.5806  443.557   51.311  370.100   72.618  516.800   72.512   55.187   5.6522   65.559   4.7155 -10.37189 7.360906 
1 1 1    3   30   15 o   78.777   4.5223  744.745   83.772  695.600  118.769  793.400  118.176   75.382   6.7436   80.739   6.2471 -5.357040 9.192501 
1 1 1    3   30   16 o  110.673   6.1849  1489.28  160.987  1413.00  227.857  1565.30  227.484  105.963   9.1977  111.935   8.6741 -5.972778 12.64271 
1 1 1    3   30   17 f  145.341   7.9714  2623.06  272.536  2750.80  386.557  2496.80  384.301  145.257   11.360  137.691   11.938 7.566315 16.47922 
1 1 1    3   30   18 o   23.282   1.9754   64.663   10.758   53.800   15.294   75.300   15.135   21.029   3.1792   25.053   2.5960 -4.023445 4.104441 
1 1 1    3   30   19 o  124.617   6.9820  1916.32  204.630  1910.50  289.836  1922.10  288.947  121.526   10.194  121.968   10.124 -0.4426651 14.36725 
1 1 1    3   30   20 o   51.421   3.0298  315.911   36.627  336.300   51.977  295.800   51.621   52.779   4.2054   49.406   4.4733 3.373604 6.139628 
1 1 1    3   30   21 o   39.759   2.5884  188.645   24.168  155.000   34.202  222.200   34.156   35.708   4.1326   43.010   3.3906 -7.302116 5.345490 
1 1 1    3   30   22 o   39.939   2.2938  189.995   21.542  244.000   31.054  139.900   29.909   45.164   2.9276   33.964   3.7940 11.19962 4.792175 
1 1 1    3   30   23 o   27.543   2.0647   90.499   13.331  106.400   18.944   74.900   18.763   29.774   2.7246   24.830   3.2804 4.944380 4.264324 
1 1 1    3   30   24 o   62.206   3.6248  465.816   53.013  475.700   75.294  456.100   74.655   62.257   5.1683   60.921   5.2405 1.336357 7.360369 
1 1 1    3   30   25 o  110.881   6.2030  1530.75  161.762  1690.20  229.162  1372.40  228.373  113.902   8.5833  101.345   9.6598 12.55634 12.92221 
1 1 1    3   30   26 o   36.337   2.4272  158.006   20.707  150.700   29.197  165.400   29.372   35.212   3.5604   36.949   3.4048 -1.736492 4.926342 
1 1 1    3   30   27 o   63.642   3.7506  491.692   56.116  492.700   79.671  490.700   79.051   62.784   5.4272   62.677   5.3937 0.1071548 7.651615 
1 1 1    3   30   28 o   11.120   1.7221   15.027   4.3759   24.200   6.7273   8.3000   5.7613   14.108   2.0820   8.3650   2.6220 5.742469 3.348049 
1 1 1    3   30   29 o   10.604   1.8972   13.782   4.5759   12.700   6.1754   15.100   6.8142   10.102   2.5797   11.003   2.6534 -0.9010391 3.700707 
1 1 1    3   30   30 o   14.005   1.7650   23.700   5.7071   17.700   8.1050   29.600   8.0376   11.885   2.9110   15.580   2.2500 -3.694223 3.679172 
1 1 1    3   30   31 f   26.033   2.0093   81.393   12.256   90.300   17.439   72.700   17.228   27.237   2.7491   24.317   3.0686 2.920031 4.119941 
1 1 1    3   30   32 o   41.321   2.7167  206.924   26.360  200.900   37.514  212.800   37.049   40.112   4.0144   41.389   3.8343 -1.277245 5.551381 
1 1 1    3   30   33 o   15.806   1.8951   30.243   6.9321   28.000   9.9000   32.400   9.7098   14.963   2.9067   16.196   2.6290 -1.233437 3.919257 
1 1 1    3   30   34 o   57.304   3.4160  403.953   46.014  329.300   64.967  479.100   65.181   50.067   5.5906   61.520   4.5185 -11.45244 7.188269 
1 1 1    3   30   35 o   43.828   2.7878  233.854   28.703  235.200   40.531  232.500   40.652   43.270   4.0124   42.994   4.0520 0.2763710 5.702492 
1 1 1    3   30   36 o   20.007   1.9196   48.356   8.9575   51.300   12.361   45.100   12.998   20.419   2.6244   19.010   2.9947 1.409567 3.981978 
1 1 1    3   30   37 f   19.098   1.8157   44.067   8.0900   38.300   10.914   51.100   12.052   17.539   2.7236   20.364   2.5631 -2.824982 3.739951 
1 1 1    3   30   38 f   37.968   2.5975  176.696   23.149  194.900   32.608  158.200   32.869   39.274   3.5546   35.019   4.0496 4.255379 5.388333 
1 1 1    3   30   39 o   31.756   2.2464  122.990   16.736  129.800   23.686  116.200   23.651   32.138   3.1620   30.274   3.3654 1.864584 4.617772 
1 1 1    3   30   40 o   37.729   2.5413  175.602   22.510  165.900   31.837  185.300   31.830   35.717   3.8349   37.972   3.5925 -2.255085 5.254722 
1 1 1    3   30   41 o   18.868   1.8004   43.321   7.9242   49.000   11.235   37.700   11.178   19.840   2.4501   17.210   2.8505 2.630836 3.758772 
1 1 1    3   30   42 o   24.528   2.0003   73.522   11.485   76.300   16.178   70.700   16.306   24.582   2.8394   23.567   2.9981 1.015108 4.129243 
1 1 1    3   30   43 o   11.022   1.7469   15.025   4.3951   19.200   6.2346   10.900   6.1967   12.344   2.2206   9.2320   2.6828 3.111654 3.482567 
1 1 1    3   30   44 o   27.935   2.1832   96.834   14.287  106.800   20.121   86.700   20.290   28.740   3.0093   25.529   3.4544 3.211409 4.581394 
1 1 1    3   30   45 o   7.8762   1.8287   7.9087   3.3358   6.6000   4.5032   9.5000   4.9656   7.2647   2.3231   8.5411   2.3756 -1.276346 3.322680 
1 1 1    3   30   46 o   5.4097   1.9253   3.2609   3.0958   2.2000   3.9281   5.0000   5.0293   5.2968   2.1034   6.6687   2.4431 -1.371838 3.223818 
1 1 1    3   30   47 o   8.7739   2.0761   10.158   4.2342   7.6000   5.8866   12.900   6.0949   7.6852   2.6612   9.6851   2.6073 -1.999839 3.725536 
1 1 1    3   30   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   30   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   31    0 o   31.485   3.2581  121.000   23.629  121.000   23.629  121.000   23.629   31.485   3.2581   31.485   3.2581 0.000000 0.000000 
1 1 1    3   31    1 o   58.051   3.3636  401.042   45.911  334.600   64.875  467.700   64.980   52.681   5.2864   62.536   4.4290 -9.855362 6.896553 
1 1 1    3   31    2 o   89.819   4.5429  962.995   96.039  1162.40  136.462  767.300  135.187   98.351   5.9032   79.440   7.2879 18.91103 9.378750 
1 1 1    3   31    3 o   36.358   2.4322  157.156   20.761  107.900   29.378  206.300   29.344   29.817   4.2965   41.615   3.0064 -11.79834 5.243896 
1 1 1    3   31    4 o  186.413   10.213  4297.31  447.845  3539.40  633.142  5056.20  633.555  163.145   16.669  198.879   13.572 -35.73439 21.49524 
1 1 1    3   31    5 o   19.536   1.8594   45.537   8.4742   47.900   12.296   43.400   11.695   19.933   2.6803   18.955   2.6881 0.9774475 3.796058 
1 1 1    3   31    6 o  121.981   6.7805  1799.01  194.535  1539.00  275.251  2058.50  274.976  110.894   10.642  129.345   9.0601 -18.45045 13.97637 
1 1 1    3   31    7 o  129.622   6.9073  2034.32  210.661  2193.00  298.662  1877.20  297.183  133.109   9.5657  122.617   10.361 10.49194 14.10138 
1 1 1    3   31    8 o   53.899   3.0698  345.722   38.910  384.600   55.336  307.700   54.723   56.680   4.1635   50.575   4.6337 6.105782 6.229487 
1 1 1    3   31    9 o   99.783   5.5027  1197.73  129.155  1212.00  183.107  1183.60  182.202   99.434   7.8626   98.228   7.9226 1.205856 11.16190 
1 1 1    3   31   10 o   55.127   3.2939  362.246   42.683  339.600   60.491  384.700   60.235   53.064   4.8823   56.580   4.5469 -3.515667 6.671644 
1 1 1    3   31   11 o   17.466   2.0199   36.584   8.1770   10.100   11.757   61.400   11.380   10.240   3.7379   22.672   2.1515 -12.43213 4.312817 
1 1 1    3   31   12 o   42.848   2.3903  218.202   24.089  272.300   34.615  167.400   33.544   47.786   3.0841   37.287   3.8658 10.49829 4.945350 
1 1 1    3   31   13 o   51.017   2.9340  310.068   35.197  340.800   50.135  280.200   49.425   53.295   4.0132   48.216   4.3890 5.078720 5.947200 
1 1 1    3   31   14 o   16.385   1.7482   32.126   6.6594   37.500   10.037   27.900   8.9010   17.612   2.4821   15.127   2.5847 2.484910 3.583505 
1 1 1    3   31   15 o  111.711   6.2185  1521.52  163.387  1648.60  231.096  1394.50  231.033  114.680   8.5964  104.807   9.4363 9.872780 12.76487 
1 1 1    3   31   16 o   52.110   3.0470  324.089   37.330  255.200   52.712  393.400   52.873   45.788   4.9542   57.236   3.9360 -11.44723 6.327389 
1 1 1    3   31   17 o   44.439   2.7970  235.625   29.200  224.200   41.433  246.900   41.160   43.077   4.1236   45.278   3.8874 -2.201408 5.667084 
1 1 1    3   31   18 o   62.941   3.6921  475.057   54.633  424.500   77.345  525.400   77.181   58.877   5.6319   65.789   5.0057 -6.911873 7.534915 
1 1 1    3   31   19 o   60.595   3.5075  440.031   49.973  342.100   70.648  538.100   70.698   52.712   5.7701   66.718   4.5140 -14.00666 7.326008 
1 1 1    3   31   20 o   74.338   4.2794  666.708   74.804  644.300  106.045  688.900  105.533   72.194   6.2832   74.799   6.0260 -2.605415 8.705833 
1 1 1    3   31   21 o   66.416   3.8396  530.720   59.960  458.700   84.809  602.700   84.785   60.916   5.9727   70.283   5.1444 -9.366837 7.882728 
1 1 1    3   31   22 o   81.469   4.6653  806.002   89.377  762.200  126.545  849.600  126.251   77.919   6.9506   82.576   6.5279 -4.657425 9.535431 
1 1 1    3   31   23 o   43.092   2.7063  222.129   27.398  232.900   38.877  211.500   38.618   43.860   3.7909   41.732   3.9666 2.128349 5.486803 
1 1 1    3   31   24 o   72.844   4.1359  643.459   70.849  687.900  100.469  599.500   99.924   74.422   5.7619   69.193   6.1807 5.228523 8.449930 
1 1 1    3   31   25 f   28.631   2.1619   98.052   14.509  101.000   20.691   95.200   20.350   28.872   3.0825   28.010   3.1303 0.8617210 4.393203 
1 1 1    3   31   26 o   38.065   2.5099  173.774   22.434  180.500   31.789  167.100   31.665   38.510   3.5351   36.998   3.6730 1.512848 5.097839 
1 1 1    3   31   27 f   23.697   1.9847   67.300   11.003   80.900   15.590   53.800   15.532   25.873   2.5863   20.886   3.2554 4.987211 4.157731 
1 1 1    3   31   28 o   18.253   2.7746   40.900   11.583   0.0000   0.0000   40.900   11.583  ?   ?    18.253   2.7746 0.000000 2.774646 
1 1 1    3   31   29 o   18.183   1.8418   39.764   7.7990   43.800   11.079   35.800   10.980   18.945   2.5405   17.027   2.8304 1.918375 3.803315 
1 1 1    3   31   30 f   4.0861   1.6311   0.9873   2.3738  -2.4000   2.8367   8.9000   4.3356   3.3098   1.5324   8.4667   2.1612 -5.156934 2.649390 
1 1 1    3   31   31 o   24.994   2.0697   75.187   12.105   63.800   17.186   86.400   17.054   22.665   3.3085   26.620   2.7528 -3.954985 4.303974 
1 1 1    3   31   32 o   21.660   2.0227   56.564   10.226   45.400   14.748   66.900   14.191   19.009   3.4110   23.421   2.6102 -4.412827 4.295165 
1 1 1    3   31   33 o   13.641   1.8438   22.602   5.7869   9.1000   8.0694   36.900   8.3036   9.0249   3.1163   17.443   2.0554 -8.418514 3.733049 
1 1 1    3   31   34 o   29.982   2.2158  108.497   15.577  115.700   21.957  101.200   22.101   30.668   3.0733   28.559   3.3404 2.109209 4.539074 
1 1 1    3   31   35 o   28.024   2.1342   94.852   14.017   85.300   19.773  104.500   19.873   26.171   3.2710   29.145   2.9272 -2.973640 4.389467 
1 1 1    3   31   36 o   18.075   1.9269   39.613   8.0971   35.700   11.471   43.500   11.431   16.840   2.9944   18.741   2.6575 -1.901558 4.003635 
1 1 1    3   31   37 o   34.637   2.4174  146.354   19.648  146.500   27.408  146.200   28.182   34.099   3.4515   33.995   3.5638 0.1041718 4.961144 
1 1 1    3   31   38 o   12.665   1.7422   19.591   5.0724   15.000   7.1282   24.300   7.2194   10.844   2.7729   13.990   2.2626 -3.146216 3.578864 
1 1 1    3   31   39 o   20.089   1.8822   49.076   8.8246   50.300   12.350   47.800   12.614   20.053   2.6748   19.479   2.8248 0.5739746 3.890202 
1 1 1    3   31   40 o   15.864   1.7523   30.660   6.4545   34.300   9.1786   27.100   9.0782   16.574   2.4163   14.586   2.7363 1.988132 3.650440 
1 1 1    3   31   41 o   9.0485   1.8944   10.258   3.9179   12.200   6.1072   8.9000   5.1074   9.7646   2.6018   8.4095   2.4332 1.355089 3.562256 
1 1 1    3   31   42 o   19.297   1.6580   45.207   7.4815   63.600   11.042   29.600   10.172   22.746   2.0788   15.112   2.9564 7.634488 3.614108 
1 1 1    3   31   43 o   16.255   1.8416   32.527   6.9439   34.400   9.7521   30.600   9.8898   16.406   2.6043   15.352   2.8325 1.054421 3.847748 
1 1 1    3   31   44 f   34.671   2.4982  152.681   20.316  155.400   28.834  150.000   28.628   33.641   3.6904   32.985   3.7417 0.6558685 5.255422 
1 1 1    3   31   45 o   14.502   1.7192   26.194   5.7725   18.400   7.7691   35.800   8.6247   11.613   2.8535   16.703   2.2434 -5.089756 3.629827 
1 1 1    3   31   46 f   4.6940   2.0950  -1.2000   4.7263   0.0000   0.0000  -1.2000   4.7263  ?   ?    4.6940   2.0950 0.000000 2.094990 
1 1 1    3   31   47 o   9.7693   2.9077   13.600   7.2056   0.0000   0.0000   13.600   7.2056  ?   ?    9.7693   2.9077 0.000000 2.907693 
1 1 1    3   31   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   31   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   32    0 o   19.350   2.9655   47.300   12.605   47.300   12.605   47.300   12.605   19.350   2.9655   19.350   2.9655 -0.000000 0.000000 
1 1 1    3   32    1 o   65.705   3.7790  515.073   58.386  500.600   82.636  529.500   82.504   64.402   5.4861   66.291   5.3153 -1.888596 7.638672 
1 1 1    3   32    2 o  100.091   5.4337  1204.06  127.945  1257.10  181.698  1151.90  180.196  101.419   7.6432   96.928   7.9426 4.490211 11.02283 
1 1 1    3   32    3 o  114.452   6.2372  1582.27  167.933  1644.50  237.940  1520.50  237.049  115.425   8.7961  110.771   9.1442 4.653290 12.68811 
1 1 1    3   32    4 o   92.234   5.0626  1021.03  109.840  1060.50  155.783  982.000  154.896   93.273   7.1269   89.632   7.3841 3.641113 10.26240 
1 1 1    3   32    5 o   35.892   2.1594  153.031   18.217  194.600   26.025  113.100   25.507   40.423   2.7427   30.637   3.5941 9.785940 4.521033 
1 1 1    3   32    6 o  110.868   6.2754  1487.83  163.615  1284.80  231.664  1689.90  231.110  101.208   9.8170  117.057   8.4172 -15.84895 12.93148 
1 1 1    3   32    7 o   83.321   4.7131  832.782   92.352  761.800  130.726  903.500  130.484   78.892   7.0931   86.217   6.4560 -7.325294 9.591252 
1 1 1    3   32    8 o  100.837   5.4172  1224.94  128.518  1317.00  182.362  1134.10  181.146  103.639   7.5023   95.852   8.0786 7.787300 11.02488 
1 1 1    3   32    9 o   86.356   4.7004  895.203   95.489  979.500  135.323  811.600  134.764   89.714   6.4304   81.360   7.0853 8.354698 9.568256 
1 1 1    3   32   10 o   87.003   4.7751  909.787   97.726  958.700  138.509  861.300  137.904   88.588   6.6703   83.784   7.0355 4.803802 9.694854 
1 1 1    3   32   11 o   92.742   4.7937  1034.42  104.622  1180.00  148.696  891.700  147.230   98.365   6.4372   85.004   7.4089 13.36053 9.814811 
1 1 1    3   32   12 o   64.944   3.2247  501.844   49.452  614.300   70.968  395.700   68.948   71.538   4.2198   57.106   5.1691 14.43215 6.672803 
1 1 1    3   32   13 o  102.017   5.5939  1262.26  134.242  1047.00  189.740  1478.00  189.954   91.017   8.9437  109.355   7.3996 -18.33806 11.60794 
1 1 1    3   32   14 o   48.162   2.8324  276.583   32.070  309.100   45.543  244.600   45.168   50.726   3.8304   44.983   4.3048 5.743370 5.762235 
1 1 1    3   32   15 o   23.578   1.9761   66.311   10.900   61.700   15.609   70.700   15.229   22.580   3.0019   24.247   2.7059 -1.667427 4.041433 
1 1 1    3   32   16 o   45.543   2.8444  247.613   30.437  239.400   43.213  255.700   42.878   44.500   4.1607   46.046   3.9827 -1.545998 5.759588 
1 1 1    3   32   17 o   86.381   4.5359  900.375   92.198  1011.20  131.276  792.500  129.517   90.749   6.1626   79.879   6.9353 10.86998 9.277760 
1 1 1    3   32   18 o   79.676   3.8711  760.725   72.832  929.500  104.051  598.600  101.981   87.483   5.0585   69.602   6.2723 17.88078 8.057898 
1 1 1    3   32   19 o   19.176   1.8646   43.980   8.3363   40.700   12.041   47.000   11.553   18.270   2.8869   19.726   2.5391 -1.456173 3.844688 
1 1 1    3   32   20 o   49.731   2.8952  295.728   33.852  334.800   48.105  257.400   47.645   52.667   3.8957   45.985   4.4432 6.682186 5.909167 
1 1 1    3   32   21 o   69.269   3.8172  578.225   62.196  637.400   88.278  519.900   87.642   72.118   5.2191   64.822   5.7865 7.295204 7.792472 
1 1 1    3   32   22 o   18.785   1.9298   42.301   8.4386   36.100   12.309   47.800   11.591   17.112   3.1628   19.882   2.5258 -2.770912 4.047655 
1 1 1    3   32   23 o   25.352   2.1431   76.940   12.710   63.700   18.291   89.300   17.673   22.767   3.5155   27.206   2.7904 -4.439003 4.488366 
1 1 1    3   32   24 o   24.559   2.0034   72.160   11.517   73.600   16.860   70.900   15.770   24.618   2.9596   24.188   2.8136 0.4296513 4.083594 
1 1 1    3   32   25 o   63.542   3.7184  490.710   55.549  498.000   78.774  483.500   78.344   63.077   5.3388   62.109   5.3954 0.9679337 7.590369 
1 1 1    3   32   26 o   8.1369   2.0453   8.1942   3.9253   14.700   6.5802   4.6000   4.8909   10.865   2.5995   6.7382   2.4177 4.127207 3.550014 
1 1 1    3   32   27 o   49.592   2.8117  296.643   32.791  244.500   45.837  351.300   46.929   44.303   4.4413   53.562   3.7338 -9.258293 5.802275 
1 1 1    3   32   28 o   36.945   3.5659  167.800   30.722   0.0000   0.0000  167.800   30.722  ?   ?    36.945   3.5659 0.000000 3.565880 
1 1 1    3   32   29 o   40.932   2.6575  202.512   25.547  231.000   36.154  174.100   36.105   43.339   3.5643   37.308   4.1696 6.031395 5.485384 
1 1 1    3   32   30 o   17.722   1.9191   37.908   7.9027   29.100   11.384   46.100   10.979   15.187   3.2710   19.444   2.4453 -4.256908 4.083965 
1 1 1    3   32   31 o   22.789   2.0239   62.561   10.778   62.200   15.498   62.900   14.998   22.463   2.9966   22.629   2.8714 -0.1663914 4.150273 
1 1 1    3   32   32 o   20.718   1.9298   51.712   9.3325   57.500   13.301   46.100   13.097   21.673   2.6545   19.282   2.9719 2.390728 3.984835 
1 1 1    3   32   33 o   34.030   2.3996  140.058   19.159  134.400   27.362  145.500   26.835   32.858   3.5847   34.307   3.3554 -1.449398 4.910113 
1 1 1    3   32   34 o   29.129   2.2368  102.648   15.268  108.300   21.236   96.600   21.968   29.615   3.0818   27.815   3.4164 1.800608 4.601035 
1 1 1    3   32   35 o   7.5136   1.8887   7.0283   3.3472   9.4000   4.7061   4.6000   4.7618   8.6701   2.2714   6.6573   2.3859 2.012729 3.294205 
1 1 1    3   32   36 o   14.464   1.9690   25.596   6.5502   13.800   9.5438   36.100   9.0064   10.575   3.3819   17.133   2.2830 -6.557918 4.080399 
1 1 1    3   32   37 o   25.791   2.0682   80.802   12.490   80.900   17.479   80.700   17.853   25.441   2.9651   25.374   3.0402 0.6693268E-01 4.246716 
1 1 1    3   32   38 o   27.142   2.1553   89.911   13.700   94.400   19.048   85.100   19.718   27.414   2.9910   25.845   3.3067 1.568697 4.458775 
1 1 1    3   32   39 o   48.733   3.1219  299.123   35.738  301.700   50.322  296.500   50.762   47.324   4.5595   46.791   4.6561 0.5330315 6.516825 
1 1 1    3   32   40 o   24.465   1.9857   72.993   11.373   71.500   16.045   74.500   16.122   23.785   2.9180   24.313   2.8630 -0.5287266 4.087959 
1 1 1    3   32   41 o   35.484   2.4485  156.000   20.390  151.800   28.836  160.200   28.836   34.060   3.6418   35.101   3.5267 -1.040688 5.069544 
1 1 1    3   32   42 o   17.239   1.8021   36.437   7.2275   31.300   10.259   41.500   10.184   15.516   2.9067   18.148   2.4381 -2.631351 3.793894 
1 1 1    3   32   43 o   17.642   1.9762   38.702   8.0910   43.500   10.979   33.000   11.969   18.396   2.6000   15.569   3.3546 2.826290 4.244279 
1 1 1    3   32   44 o   20.089   1.9705   50.591   9.2272   49.900   12.966   51.300   13.134   19.302   2.9374   19.580   2.9307 -0.2778339 4.149415 
1 1 1    3   32   45 o   18.031   1.9336   41.173   8.1040   50.900   11.507   31.600   11.415   19.610   2.5449   14.812   3.3430 4.797550 4.201467 
1 1 1    3   32   46 o   22.571   2.0588   65.489   10.852   53.500   15.340   77.500   15.355   18.960   3.5570   23.804   2.7843 -4.844193 4.517099 
1 1 1    3   32   47 o   14.136   2.7860   28.000   8.9689   0.0000   0.0000   28.000   8.9689  ?   ?    14.136   2.7860 0.000000 2.786048 
1 1 1    3   32   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   33    0 o   37.068   3.5683  167.300   30.569  167.300   30.569  167.300   30.569   37.068   3.5683   37.068   3.5683 -0.000000 0.000000 
1 1 1    3   33    1 o   76.726   4.5048  705.970   81.259  592.900  115.157  818.100  114.678   69.470   7.1205   82.158   5.9514 -12.68798 9.280156 
1 1 1    3   33    2 o   7.7556   1.9700   7.3936   3.6149   10.600   5.6717   5.2000   4.6912   9.3045   2.5194   6.9377   2.3771 2.366799 3.463831 
1 1 1    3   33    3 o   43.659   2.6875  226.909   27.573  250.600   39.069  203.400   38.919   45.740   3.6476   41.101   4.0632 4.638824 5.460260 
1 1 1    3   33    4 o   55.818   3.3076  371.691   43.403  341.500   61.423  401.800   61.339   53.150   4.9510   57.790   4.5312 -4.640511 6.711504 
1 1 1    3   33    5 o   60.900   3.6596  443.252   52.383  356.300   74.232  529.500   73.930   54.022   5.9158   66.319   4.7524 -12.29712 7.588253 
1 1 1    3   33    6 o   61.959   3.5808  458.622   52.167  464.100   73.965  453.200   73.586   61.960   5.1007   61.213   5.1384 0.7473640 7.240222 
1 1 1    3   33    7 o   36.804   2.4809  161.329   21.435  143.900   30.428  178.500   30.201   34.538   3.7934   38.591   3.3474 -4.053143 5.059137 
1 1 1    3   33    8 o   38.761   2.5007  178.918   22.766  188.600   32.335  169.400   32.060   39.643   3.4897   37.522   3.6651 2.120853 5.060748 
1 1 1    3   33    9 o  113.109   6.3161  1560.18  168.023  1514.40  237.839  1605.80  237.402  109.441   9.2910  112.961   8.9740 -3.519432 12.91726 
1 1 1    3   33   10 o   67.345   4.0025  543.953   63.364  489.100   89.944  598.000   89.281   63.191   6.1038   70.177   5.4300 -6.986065 8.169499 
1 1 1    3   33   11 o  114.387   6.3350  1598.61  170.447  1623.90  241.713  1573.60  240.390  113.295   9.1120  111.430   9.2187 1.864418 12.96199 
1 1 1    3   33   12 o   68.378   3.8696  560.601   62.224  596.000   88.248  525.600   87.750   70.022   5.3782   65.607   5.7214 4.415169 7.852375 
1 1 1    3   33   13 o   52.049   3.0881  323.595   37.785  332.500   53.602  314.800   53.271   52.465   4.3663   51.013   4.4673 1.452068 6.246689 
1 1 1    3   33   14 f   33.143   2.2658  130.895   17.627  149.900   24.997  112.100   24.859   35.360   3.0228   30.447   3.5227 4.913074 4.641880 
1 1 1    3   33   15 o   59.434   3.4330  423.032   47.976  437.500   68.250  408.900   67.452   60.029   4.8565   57.982   4.9747 2.047108 6.952199 
1 1 1    3   33   16 o   35.369   2.3972  149.214   19.903  134.300   28.208  164.000   28.087   33.317   3.6449   36.938   3.2534 -3.620502 4.885641 
1 1 1    3   33   17 o   67.232   3.8943  543.761   61.560  524.500   87.197  562.900   86.922   65.337   5.7090   67.806   5.4755 -2.469109 7.910359 
1 1 1    3   33   18 o   38.576   2.4764  177.599   22.439  128.400   31.701  227.000   31.766   32.397   4.2460   43.508   3.1125 -11.11062 5.264604 
1 1 1    3   33   19 o  111.599   6.1665  1540.94  161.872  1611.90  229.761  1471.00  228.091  111.574   8.7919  106.134   9.1918 5.439621 12.71953 
1 1 1    3   33   20 f   30.191   2.1929  108.837   15.527  107.200   22.215  110.400   21.710   29.773   3.2107   30.246   3.0828 -0.4734402 4.451073 
1 1 1    3   33   21 o   25.058   1.9899   75.011   11.677   68.800   16.530   81.200   16.499   23.806   3.0075   25.949   2.7338 -2.142553 4.064326 
1 1 1    3   33   22 o   19.428   1.8618   45.215   8.4369   42.300   11.862   48.200   12.003   18.617   2.7837   19.933   2.6129 -1.316017 3.817904 
1 1 1    3   33   23 o   24.479   1.9841   71.705   11.370   71.200   16.162   72.200   16.000   24.215   2.8831   24.399   2.8296 -0.1838932 4.039649 
1 1 1    3   33   24 o   56.265   3.1655  382.355   41.886  426.200   59.612  339.600   58.867   58.858   4.3193   52.243   4.8263 6.615368 6.476834 
1 1 1    3   33   25 o   16.448   1.8132   32.554   6.9253   29.300   9.9603   35.600   9.6355   15.382   2.8470   17.082   2.4596 -1.699924 3.762321 
1 1 1    3   33   26 o   8.7925   1.8532   9.5452   3.7264   14.800   5.6906   5.6000   4.9307   10.930   2.2786   7.1289   2.4370 3.801224 3.336365 
1 1 1    3   33   27 o   13.042   1.8910   20.680   5.6537   11.600   8.2286   28.800   7.7812   9.8597   3.1389   15.369   2.2074 -5.509727 3.837325 
1 1 1    3   33   28 o   39.139   3.7088  189.300   33.868   0.0000   0.0000  189.300   33.868  ?   ?    39.139   3.7088 0.000000 3.708796 
1 1 1    3   33   29 o   35.252   2.5150  150.161   20.799  136.800   29.830  162.800   29.014   33.117   3.8886   36.371   3.4183 -3.254398 5.177455 
1 1 1    3   33   30 o   21.639   1.9379   56.355   9.7975   41.200   13.791   71.800   13.922   18.109   3.3483   24.318   2.4581 -6.208984 4.153738 
1 1 1    3   33   31 o   18.217   1.8544   40.008   7.8656   42.700   11.446   37.600   10.827   18.627   2.6793   17.449   2.7162 1.178591 3.815245 
1 1 1    3   33   32 o   39.152   2.5606  185.729   23.543  171.000   33.052  200.900   33.544   36.977   3.8413   40.257   3.5656 -3.279636 5.241116 
1 1 1    3   33   33 o   3.8467   1.6556  -0.2232   2.7198  -3.4000   3.3084   6.4000   4.7770   3.4379   1.6126   7.3875   2.3958 -3.949572 2.887968 
1 1 1    3   33   34 o   25.843   2.0430   80.720   12.366   72.200   17.407   89.400   17.570   24.055   3.1393   26.942   2.8028 -2.886774 4.208421 
1 1 1    3   33   35 o   17.836   1.8811   38.592   7.8031   37.500   10.768   39.800   11.323   17.333   2.7206   17.848   2.7769 -0.5154266 3.887536 
1 1 1    3   33   36 o   43.798   2.8633  237.131   29.450  193.500   41.663  280.700   41.633   38.111   4.7313   46.896   3.7921 -8.784916 6.063454 
1 1 1    3   33   37 o   19.943   1.9343   48.413   8.9948   39.800   12.488   57.700   12.967   17.645   3.1107   21.544   2.6016 -3.899334 4.055267 
1 1 1    3   33   38 o   13.972   2.0035   24.075   6.4206   29.800   8.5318   16.600   9.7497   15.437   2.4201   11.334   3.3843 4.103029 4.160535 
1 1 1    3   33   39 o   11.909   1.7431   17.419   4.7566   13.700   6.7444   21.100   6.7095   10.333   2.7250   12.976   2.2725 -2.643208 3.548228 
1 1 1    3   33   40 o   7.7313   1.8772   7.5206   3.3929   7.3000   4.5385   7.8000   5.1084   7.6664   2.3135   7.9427   2.4656 -0.2762322 3.381062 
1 1 1    3   33   41 o   18.260   1.8901   40.942   8.0318   40.400   11.867   41.400   10.911   17.676   2.9468   18.048   2.6380 -0.3723297 3.955052 
1 1 1    3   33   42 f   12.572   1.6616   19.494   4.8121   26.100   7.2147   14.200   6.4585   14.376   2.1949   10.408   2.6275 3.967754 3.423646 
1 1 1    3   33   43 o   12.589   2.0231   20.133   5.8105   32.900   8.0573   6.3000   8.3872   16.077   2.1785   7.9157   3.0950 8.161360 3.784775 
1 1 1    3   33   44 o   25.216   2.1933   81.372   12.930   92.300   18.068   69.900   18.512   26.040   2.9928   21.891   3.7138 4.148413 4.769618 
1 1 1    3   33   45 o   24.518   2.1206   77.288   12.156   92.400   17.227   62.300   17.156   26.002   2.8527   20.425   3.6932 5.577047 4.666617 
1 1 1    3   33   46 o   6.0445   2.2372   4.1000   4.2345   0.0000   0.0000   4.1000   4.2345  ?   ?    6.0445   2.2372 0.000000 2.237158 
1 1 1    3   33   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   34    0 o   62.536   5.2612  476.000   76.426  476.000   76.426  476.000   76.426   62.536   5.2612   62.536   5.2612 -0.000000 0.000000 
1 1 1    3   34    1 o  113.682   6.2086  1573.34  166.034  1427.80  234.603  1719.40  235.014  106.196   9.4543  117.308   8.5427 -11.11207 12.74213 
1 1 1    3   34    2 o   55.273   3.1918  364.615   41.482  388.800   59.018  341.000   58.318   56.808   4.4348   53.112   4.6984 3.695583 6.460772 
1 1 1    3   34    3 o  100.471   5.3443  1220.40  126.335  1369.60  179.150  1072.80  178.184  105.444   7.2389   92.703   8.2252 12.74045 10.95695 
1 1 1    3   34    4 o   27.365   2.0720   89.203   13.289   88.900   18.884   89.500   18.706   27.188   2.9908   27.287   2.9500 -0.9928894E-01 4.200912 
1 1 1    3   34    5 o   96.897   5.4743  1137.21  124.744  967.400  176.524  1306.60  176.305   87.710   8.6350  102.899   7.3034 -15.18907 11.30941 
1 1 1    3   34    6 o   36.875   2.3789  161.913   20.604  179.200   29.344  145.100   28.939   38.669   3.2435   34.706   3.5827 3.963303 4.832860 
1 1 1    3   34    7 o   61.437   3.5252  451.460   50.927  473.700   72.250  429.500   71.795   62.559   4.9309   59.480   5.1629 3.079224 7.139271 
1 1 1    3   34    8 o   62.845   3.4697  472.251   51.290  521.900   73.021  423.900   72.060   65.728   4.7364   59.054   5.2214 6.674603 7.049571 
1 1 1    3   34    9 o   85.961   4.6010  890.190   93.055  970.200  132.364  812.000  130.850   88.971   6.3418   81.083   6.8997 7.888535 9.371437 
1 1 1    3   34   10 o  110.830   6.2639  1503.63  163.260  1417.30  231.190  1589.50  230.579  105.300   9.3965  112.080   8.7825 -6.780464 12.86183 
1 1 1    3   34   11 o   48.794   2.8992  284.188   33.255  306.900   47.199  261.800   46.862   50.476   3.9925   46.515   4.3156 3.960533 5.879155 
1 1 1    3   34   12 o   94.330   5.3293  1081.11  118.223  1045.20  167.460  1116.80  166.926   91.265   7.8467   94.569   7.5376 -3.304482 10.88054 
1 1 1    3   34   13 o   72.494   4.1874  632.930   71.377  607.700  101.206  657.900  100.682   70.233   6.1648   73.233   5.8715 -3.000328 8.513484 
1 1 1    3   34   14 o   35.952   2.3250  154.055   19.632  170.200   27.981  138.400   27.553   37.649   3.1770   33.859   3.4965 3.790508 4.724274 
1 1 1    3   34   15 o   16.811   1.7643   33.840   6.8995   36.600   9.9668   31.300   9.5605   17.376   2.5012   16.022   2.6174 1.353868 3.620337 
1 1 1    3   34   16 o   30.236   2.1468  109.025   15.228   87.600   21.498  130.600   21.573   26.846   3.4726   33.001   2.7946 -6.155298 4.457478 
1 1 1    3   34   17 o   19.922   1.8576   47.452   8.6379   51.300   12.468   43.900   11.979   20.599   2.6226   19.007   2.7487 1.592314 3.799157 
1 1 1    3   34   18 o   18.976   1.9680   43.173   8.6904   32.400   12.616   52.900   11.988   16.152   3.4146   20.945   2.4713 -4.793016 4.215086 
1 1 1    3   34   19 o   33.727   2.3261  135.939   18.412  136.300   26.467  135.600   25.630   33.549   3.3873   33.487   3.2835 0.6187820E-01 4.717502 
1 1 1    3   34   20 o   17.469   1.9006   36.650   7.7133   33.500   11.411   39.300   10.467   16.476   3.0451   17.985   2.5350 -1.508558 3.962133 
1 1 1    3   34   21 o   38.753   2.4350  179.791   22.169  199.700   31.772  160.900   30.949   40.612   3.3426   36.334   3.6569 4.278748 4.954407 
1 1 1    3   34   22 o   25.853   2.0759   80.051   12.566   78.800   18.163   81.200   17.404   25.431   3.0879   25.867   2.8991 -0.4362736 4.235543 
1 1 1    3   34   23 f   5.2613   1.9459   2.5658   3.2026  -3.7000   5.1172   6.6000   4.1061   4.5561   2.0909   7.3895   2.1940 -2.833420 3.030698 
1 1 1    3   34   24 o   18.095   1.9961   39.465   8.3870   26.500   12.223   51.000   11.529   14.493   3.5902   20.510   2.4276 -6.017323 4.333925 
1 1 1    3   34   25 o   12.295   1.8427   18.386   5.1851   18.800   8.1078   18.100   6.7446   12.258   2.8544   12.082   2.4479 0.1756048 3.760277 
1 1 1    3   34   26 o   28.331   2.2181   96.569   14.721   86.100   21.153  106.400   20.499   26.379   3.4809   29.535   2.9801 -3.155878 4.582316 
1 1 1    3   34   27 o   46.595   2.9361  263.524   32.141  255.000   45.654  271.900   45.257   45.118   4.3387   46.714   4.1458 -1.596153 6.001010 
1 1 1    3   34   28 o   52.125   4.6585  343.300   56.735   0.0000   0.0000  343.300   56.735  ?   ?    52.125   4.6585 0.000000 4.658469 
1 1 1    3   34   29 o   24.550   1.9860   72.472   11.414   59.800   16.125   85.200   16.160   21.954   3.2049   26.464   2.6204 -4.510324 4.139758 
1 1 1    3   34   30 o   38.120   2.5292  175.815   22.637  174.400   32.183  177.200   31.847   37.468   3.6853   37.806   3.6113 -0.3382988 5.159700 
1 1 1    3   34   31 o   36.364   2.5101  160.161   21.422  130.700   30.379  189.300   30.212   32.158   4.0933   39.204   3.2941 -7.045815 5.254139 
1 1 1    3   34   32 o   4.4097   1.6609   1.7000   2.3540  -6.4000   3.3291   9.8000   3.3291   2.9369   1.4369   8.9282   1.6395 -5.991285 2.180050 
1 1 1    3   34   33 o   12.466   1.7747   18.948   5.0763   21.000   7.4851   17.200   6.9076   12.952   2.5382   11.690   2.5721 1.261498 3.613585 
1 1 1    3   34   34 o   19.136   1.9576   44.447   8.7212   36.900   12.691   51.200   12.005   17.000   3.2803   20.369   2.5518 -3.369268 4.155983 
1 1 1    3   34   35 o   5.0842   1.8397   2.5955   2.8391  -2.7000   4.9446   5.2000   3.4677   4.6208   2.0955   6.5672   2.0302 -1.946385 2.917664 
1 1 1    3   34   36 o   11.169   1.8189   15.377   4.6322   16.700   6.9156   14.300   6.2386   11.453   2.6147   10.606   2.5269 0.8463840 3.636148 
1 1 1    3   34   37 o   19.263   1.7879   45.043   8.0395   53.700   11.700   37.300   11.065   20.822   2.4251   17.157   2.8300 3.665297 3.726902 
1 1 1    3   34   38 f   32.884   2.3193  132.738   17.894  130.800   25.228  134.700   25.385   31.964   3.3942   32.466   3.3598 -0.5017853 4.775867 
1 1 1    3   34   39 o   17.848   1.8491   38.915   7.6801   41.300   10.944   36.600   10.781   18.094   2.6390   16.952   2.7903 1.142435 3.840600 
1 1 1    3   34   40 o   9.9820   1.6970   12.353   3.8568   9.3000   5.3721   15.600   5.5404   8.5591   2.5009   11.102   2.1912 -2.542953 3.325031 
1 1 1    3   34   41 o   35.815   2.4912  161.463   20.938  172.300   29.661  150.700   29.560   35.903   3.5448   33.241   3.8363 2.661655 5.223321 
1 1 1    3   34   42 o   19.688   1.9397   48.356   8.9008   49.100   12.540   47.600   12.636   19.282   2.8390   18.924   2.9218 0.3582134 4.073878 
1 1 1    3   34   43 o   8.5178   2.0863   9.4831   4.1630   14.100   6.1171   5.5000   5.6817   10.236   2.5423   6.9950   2.5909 3.240981 3.629894 
1 1 1    3   34   44 o   4.7118   1.8332   1.9101   2.9313   0.7000   3.7542   3.8000   4.6917   4.6890   1.9787   6.1096   2.3343 -1.420587 3.060155 
1 1 1    3   34   45 o   8.4017   2.0731   9.3744   4.0877   11.000   6.3117   8.2000   5.3649   8.8941   2.7373   7.8284   2.5390 1.065735 3.733532 
1 1 1    3   34   46 o   5.8832   2.3708   2.9000   5.0663   0.0000   0.0000   2.9000   5.0663  ?   ?    5.8832   2.3708 0.000000 2.370793 
1 1 1    3   35    0 o   34.857   3.4546  148.300   27.793  148.300   27.793  148.300   27.793   34.857   3.4546   34.857   3.4546 -0.000000 0.000000 
1 1 1    3   35    1 o   18.240   1.7970   39.764   7.6393   43.500   10.784   36.000   10.823   18.991   2.4627   17.197   2.7586 1.794315 3.697931 
1 1 1    3   35    2 f   24.023   1.9593   68.802   11.018   68.300   15.616   69.300   15.547   23.809   2.8332   23.991   2.7969 -0.1821728 3.981208 
1 1 1    3   35    3 o   70.856   4.1042  602.965   68.375  506.700   96.781  698.900   96.614   64.110   6.4820   75.836   5.4312 -11.72537 8.456567 
1 1 1    3   35    4 o  128.564   7.1431  2040.75  215.999  2100.00  305.993  1981.90  304.948  127.542   10.247  123.571   10.552 3.970764 14.70830 
1 1 1    3   35    5 o   25.035   2.0962   74.793   12.278   60.200   17.577   88.700   17.159   22.211   3.4643   27.192   2.7084 -4.981033 4.397354 
1 1 1    3   35    6 o   29.421   2.1509  103.150   14.839   62.400   20.986  143.900   20.986   22.489   4.1031   34.717   2.5783 -12.22832 4.845957 
1 1 1    3   35    7 o   26.465   2.1800   83.600   13.502   69.100   19.446   97.100   18.763   23.804   3.5695   28.439   2.8317 -4.635082 4.556320 
1 1 1    3   35    8 o   46.085   2.7894  253.414   30.212  270.200   43.035  237.100   42.424   47.366   3.8817   44.297   4.1023 3.068485 5.647725 
1 1 1    3   35    9 o   84.940   4.0851  865.066   81.936  1078.90  116.990  659.200  114.790   94.242   5.2783   72.923   6.7425 21.31908 8.562790 
1 1 1    3   35   10 o   46.424   2.8769  257.441   31.382  249.700   44.500  265.100   44.263   45.422   4.1962   46.854   4.0402 -1.431522 5.825089 
1 1 1    3   35   11 o   50.060   3.0854  299.742   36.294  280.700   51.522  318.500   51.136   48.057   4.5962   51.316   4.2584 -3.258987 6.265742 
1 1 1    3   35   12 o   94.139   4.4921  1067.78   99.857  1311.60  142.632  833.400  139.846  103.459   5.8624   81.537   7.3421 21.92216 9.395432 
1 1 1    3   35   13 o   94.327   5.3140  1085.41  117.881  1080.60  166.894  1090.20  166.525   92.506   7.7106   92.961   7.6541 -0.4554214 10.86450 
1 1 1    3   35   14 f   30.696   2.1909  112.416   15.776  110.000   22.388  114.800   22.235   30.187   3.1890   30.866   3.0923 -0.6784248 4.442071 
1 1 1    3   35   15 o   53.554   3.2224  344.006   40.561  336.100   57.569  351.800   57.157   52.476   4.6955   53.750   4.5459 -1.274216 6.535498 
1 1 1    3   35   16 f   25.764   2.0863   79.309   12.583   68.200   17.968   90.000   17.628   23.652   3.3078   27.341   2.7685 -3.689651 4.313445 
1 1 1    3   35   17 o   11.891   1.8677   17.175   5.0713   19.500   8.1396   15.700   6.4834   12.539   2.8177   11.265   2.5024 1.274181 3.768517 
1 1 1    3   35   18 o   96.398   5.6037  1152.84  127.008  1111.40  180.363  1193.60  178.879   91.952   8.3994   95.774   7.9822 -3.822716 11.58726 
1 1 1    3   35   19 o   53.841   3.3011  349.732   41.766  316.000   59.227  383.100   58.907   50.454   5.0386   55.859   4.5043 -5.404518 6.758371 
1 1 1    3   35   20 o   26.822   2.1150   86.152   13.287   79.200   19.004   92.800   18.584   25.466   3.2331   27.683   2.8853 -2.216593 4.333335 
1 1 1    3   35   21 o   36.808   2.3989  162.501   20.736  133.400   29.276  191.800   29.375   32.919   3.8382   39.786   3.1525 -6.866459 4.966852 
1 1 1    3   35   22 o   14.593   1.6970   25.636   5.7384   34.600   8.3739   17.700   7.8792   16.902   2.1465   11.905   2.8421 4.996918 3.561548 
1 1 1    3   35   23 o   35.954   2.4111  155.371   20.351  159.500   28.882  151.300   28.681   36.110   3.4283   35.135   3.5036 0.9752808 4.901879 
1 1 1    3   35   24 o   12.648   1.8316   19.434   5.3111   18.800   7.7340   20.000   7.3063   12.268   2.7391   12.697   2.5258 -0.4292450 3.725879 
1 1 1    3   35   25 o   21.087   1.9060   53.437   9.3882   53.700   13.644   53.200   12.938   20.923   2.8345   20.863   2.6889 0.6062889E-01 3.906958 
1 1 1    3   35   26 o   37.162   2.4672  166.537   21.528  169.700   30.509  163.400   30.381   37.120   3.5229   36.394   3.5815 0.7258453 5.023715 
1 1 1    3   35   27 o   18.975   1.8927   43.365   8.3674   35.400   12.001   50.900   11.672   16.825   3.1360   20.442   2.4680 -3.616957 3.990730 
1 1 1    3   35   28 o   23.722   1.9627   67.657   10.895   67.200   15.523   68.100   15.296   23.406   2.8688   23.584   2.8014 -0.1783352 4.009721 
1 1 1    3   35   29 o   26.757   2.0655   86.170   12.949   95.900   18.341   76.500   18.285   28.018   2.8100   24.871   3.1866 3.147285 4.248641 
1 1 1    3   35   30 o   11.792   1.9976   17.086   5.3639   9.6000   8.0740   23.000   7.1764   9.1705   3.1186   13.654   2.3080 -4.483845 3.879784 
1 1 1    3   35   31 o   11.361   2.0455   15.938   5.2857   4.4000   7.7863   25.800   7.1986   7.5968   2.9788   14.500   2.1691 -6.902893 3.684843 
1 1 1    3   35   32 o   16.113   1.8745   31.516   6.9989   28.800   10.354   33.800   9.4970   15.085   3.0123   16.525   2.5129 -1.440674 3.922842 
1 1 1    3   35   33 o   19.153   1.8652   44.414   8.3283   50.400   12.206   39.200   11.392   20.184   2.6229   17.698   2.8207 2.486198 3.851754 
1 1 1    3   35   34 o   29.605   2.3401  107.090   16.226   86.900   23.237  126.300   22.667   25.871   3.9271   31.803   3.0559 -5.931814 4.976027 
1 1 1    3   35   35 f   28.934   2.1715  102.066   14.728  105.000   21.142   99.300   20.530   28.859   3.1538   28.057   3.1533 0.8015976 4.459794 
1 1 1    3   35   36 o   43.193   2.8576  232.214   28.981  212.400   41.104  251.800   40.866   39.902   4.4376   43.953   3.9806 -4.051292 5.961364 
1 1 1    3   35   37 o   20.812   1.9139   52.751   9.3003   52.600   13.188   52.900   13.117   20.435   2.8073   20.505   2.7808 -0.7045746E-01 3.951403 
1 1 1    3   35   38 o   20.853   1.9212   53.096   9.3542   44.200   13.301   61.800   13.157   18.498   3.1585   22.246   2.5508 -3.747635 4.059940 
1 1 1    3   35   39 o   21.708   1.9339   57.730   9.8094   59.500   13.953   56.000   13.794   21.629   2.7973   20.940   2.8649 0.6898880 4.004058 
1 1 1    3   35   40 f   13.539   1.6786   22.547   5.2515   33.800   7.9930   14.000   6.9660   16.450   2.1060   10.321   2.7911 6.129241 3.496514 
1 1 1    3   35   41 o   11.516   1.8164   16.643   4.7756   19.600   7.2712   14.400   6.3330   12.185   2.6059   10.425   2.5852 1.759836 3.670750 
1 1 1    3   35   42 o   16.748   1.8696   35.233   7.2675   31.200   10.136   39.500   10.425   15.108   2.9471   17.261   2.6418 -2.153028 3.957871 
1 1 1    3   35   43 o   10.906   2.0190   15.413   5.0081   10.300   7.3696   19.800   6.8265   8.7565   2.9795   12.160   2.4618 -3.403834 3.864934 
1 1 1    3   35   44 o   21.319   3.1866   64.800   15.550   0.0000   0.0000   64.800   15.550  ?   ?    21.319   3.1866 0.000000 3.186597 
1 1 1    3   35   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   36    0 o   92.733   7.5533  1061.10  162.876  1061.10  162.876  1061.10  162.876   92.733   7.5533   92.733   7.5533 -0.000000 0.000000 
1 1 1    3   36    1 o   57.676   3.3781  398.185   45.807  407.200   64.837  389.200   64.725   57.938   4.7818   56.600   4.8908 1.337925 6.840039 
1 1 1    3   36    2 o   31.183   2.1965  115.880   16.070  112.600   22.657  119.200   22.798   30.578   3.1845   31.485   3.1069 -0.9069462 4.449011 
1 1 1    3   36    3 o   45.160   2.7977  243.450   29.688  222.500   41.985  264.400   41.985   42.866   4.2019   46.855   3.8282 -3.988918 5.684245 
1 1 1    3   36    4 o   60.753   3.6679  442.833   52.374  380.600   74.268  504.400   73.869   55.657   5.7329   64.469   4.8887 -8.811863 7.534304 
1 1 1    3   36    5 o   58.649   3.5252  412.336   48.594  380.800   68.983  443.400   68.465   55.823   5.2966   60.434   4.8382 -4.610832 7.173666 
1 1 1    3   36    6 o   57.668   3.0977  397.373   42.029  468.800   60.097  329.000   58.799   62.382   4.1026   51.995   4.8448 10.38715 6.348488 
1 1 1    3   36    7 o   86.391   4.2613  896.839   86.931  1098.50  123.833  700.900  122.064   94.890   5.5507   75.010   6.9711 19.88030 8.911057 
1 1 1    3   36    8 o   72.929   4.1191  640.571   70.646  666.600  100.159  614.800   99.661   73.700   5.8021   70.655   6.0312 3.045807 8.368943 
1 1 1    3   36    9 o   55.560   3.2851  369.806   42.908  375.100   60.940  364.600   60.425   55.549   4.6897   54.751   4.7199 0.7979469 6.653608 
1 1 1    3   36   10 o   58.376   3.4290  408.822   47.060  412.900   66.780  404.800   66.327   58.192   4.9056   57.608   4.9231 0.5838585 6.949948 
1 1 1    3   36   11 o   53.867   3.2142  347.762   40.698  352.100   57.814  343.500   57.300   53.791   4.5957   53.119   4.6140 0.6716423 6.512196 
1 1 1    3   36   12 o   40.595   2.6553  196.995   25.314  188.000   36.096  205.700   35.509   39.362   3.9362   41.257   3.6836 -1.894478 5.390956 
1 1 1    3   36   13 o   37.867   2.4002  171.163   21.351  189.700   30.435  153.200   29.961   39.693   3.2764   35.562   3.6182 4.130863 4.881200 
1 1 1    3   36   14 o   57.914   3.4227  403.494   46.600  404.900   66.038  402.100   65.767   57.458   4.9146   57.259   4.9117 0.1989555 6.948214 
1 1 1    3   36   15 o   83.581   4.9143  856.082   96.564  776.400  136.892  935.000  136.234   77.684   7.5582   85.989   6.7640 -8.305168 10.14287 
1 1 1    3   36   16 o   68.934   4.0164  576.869   65.094  545.200   92.157  608.400   91.956   65.921   5.9856   69.901   5.6185 -3.979935 8.209450 
1 1 1    3   36   17 o   20.988   2.0287   52.846   9.9289   39.900   14.361   64.700   13.742   17.901   3.5229   23.146   2.5571 -5.244425 4.353080 
1 1 1    3   36   18 o   27.915   2.1169   93.280   13.850   91.500   19.757   95.000   19.422   27.432   3.1046   27.988   2.9848 -0.5560112 4.306719 
1 1 1    3   36   19 o   7.3575   1.9234   6.6749   3.3793   9.7000   5.5572   4.9000   4.2567   8.8942   2.5271   6.6641   2.2644 2.230098 3.393224 
1 1 1    3   36   20 o   33.318   2.1775  132.947   17.037  156.500   24.280  110.100   23.913   35.979   2.8820   29.977   3.4405 6.001347 4.488097 
1 1 1    3   36   21 o   92.648   5.2846  1080.91  115.136  1135.90  163.338  1026.60  162.320   92.030   7.5837   86.896   8.0005 5.134193 11.02360 
1 1 1    3   36   22 o   40.050   2.6254  193.376   24.691  179.400   35.015  207.200   34.823   38.073   3.9523   41.086   3.6265 -3.013290 5.364019 
1 1 1    3   36   23 o   7.5175   1.8942   6.9957   3.3610   11.300   5.1039   3.7000   4.4660   9.5302   2.2953   6.2417   2.2999 3.288527 3.249298 
1 1 1    3   36   24 o   21.857   1.8708   57.344   9.5624   64.500   14.009   51.100   13.085   23.018   2.6243   20.413   2.7875 2.604868 3.828462 
1 1 1    3   36   25 o   37.194   2.5002  166.919   21.831  139.100   30.913  194.600   30.836   33.374   4.0024   39.865   3.3055 -6.490910 5.190933 
1 1 1    3   36   26 o   48.444   2.9966  285.410   34.110  266.900   48.251  303.900   48.226   46.012   4.4985   49.330   4.1794 -3.317616 6.140352 
1 1 1    3   36   27 o   39.813   2.5857  191.731   24.177  199.000   34.607  184.800   33.791   40.075   3.6987   38.579   3.7569 1.495815 5.272133 
1 1 1    3   36   28 o   37.689   2.5428  171.906   22.498  158.000   31.940  185.600   31.696   35.563   3.8656   38.757   3.5011 -3.193504 5.215457 
1 1 1    3   36   29 o   22.026   1.9527   58.489   10.051   57.000   14.411   59.900   14.025   21.473   2.9176   22.074   2.7503 -0.6014366 4.009550 
1 1 1    3   36   30 o   27.415   2.1858   90.943   14.033   83.200   20.247   98.100   19.466   25.771   3.4110   28.202   2.9676 -2.430912 4.521298 
1 1 1    3   36   31 o   5.8906   1.8316   4.1365   2.8179   11.400   4.1459  -2.1000   3.8416   9.5896   1.8981   4.0905   1.8517 5.499067 2.651699 
1 1 1    3   36   32 o   4.0714   1.6512   0.8249   2.4744   0.7000   3.2389   1.0000   3.8346   4.5106   1.8657   4.9569   2.0381 -0.4463267 2.763136 
1 1 1    3   36   33 o   7.6649   1.9445   7.3458   3.5251   4.5000   5.3022   9.6000   4.7190   6.7734   2.5041   8.7367   2.2676 -1.963302 3.378229 
1 1 1    3   36   34 o   18.573   1.8591   41.931   8.0440   43.100   11.472   40.800   11.283   18.551   2.6979   18.026   2.7367 0.5252171 3.842931 
1 1 1    3   36   35 o   22.558   1.9525   61.904   10.298   60.300   14.583   63.500   14.545   21.888   2.8923   22.513   2.7961 -0.6254215 4.022899 
1 1 1    3   36   36 o   31.324   2.3414  120.507   17.193  112.100   24.627  128.500   24.014   29.438   3.6190   31.804   3.2429 -2.365950 4.859365 
1 1 1    3   36   37 o   24.601   2.9562   76.700   16.829   0.0000   0.0000   76.700   16.829  ?   ?    24.601   2.9562 0.000000 2.956242 
1 1 1    3   36   38 f   22.055   2.8591   62.000   14.540   0.0000   0.0000   62.000   14.540  ?   ?    22.055   2.8591 0.000000 2.859060 
1 1 1    3   36   39 o   9.8782   1.8247   12.236   4.0994   16.700   6.2164   8.8000   5.4532   11.393   2.3871   8.3238   2.5414 3.069242 3.486655 
1 1 1    3   36   40 o   16.457   1.8928   33.756   7.2213   30.300   10.378   37.000   10.055   14.990   3.0359   16.863   2.6093 -1.873056 4.003158 
1 1 1    3   36   41 o   20.938   1.9897   55.217   9.7190   50.700   13.850   59.600   13.642   19.189   3.1670   21.144   2.8013 -1.954956 4.228143 
1 1 1    3   36   42 o   19.208   2.9333   50.500   12.882   0.0000   0.0000   50.500   12.882  ?   ?    19.208   2.9333 0.000000 2.933326 
1 1 1    3   36   43 o   23.304   3.1977   77.100   17.133   77.100   17.133   0.0000   0.0000   23.304   3.1977  ?   ?  0.000000 3.197720 
1 1 1    3   36   44 o   20.494   3.0403   59.100   14.267   59.100   14.267   0.0000   0.0000   20.494   3.0403  ?   ?  0.000000 3.040348 
1 1 1    3   37    0 o   25.372   2.9703   79.400   17.158   79.400   17.158   79.400   17.158   25.372   2.9703   25.372   2.9703 -0.000000 0.000000 
1 1 1    3   37    1 o   41.950   2.6482  210.088   26.098  218.000   36.936  202.200   36.880   42.513   3.7167   40.896   3.8648 1.616768 5.361956 
1 1 1    3   37    2 o   67.911   3.9001  554.850   62.281  581.900   88.078  527.800   88.078   68.951   5.4541   65.519   5.7511 3.431961 7.926075 
1 1 1    3   37    3 o  116.570   6.4752  1679.37  177.536  1445.50  250.977  1913.60  251.170  104.651   10.289  122.244   8.7592 -17.59349 13.51264 
1 1 1    3   37    4 o   24.878   2.0045   73.856   11.676   67.800   16.589   79.800   16.435   23.659   3.0397   25.752   2.7451 -2.093346 4.095781 
1 1 1    3   37    5 f   80.169   4.3482  776.518   82.007  893.500  116.343  661.000  115.612   85.266   5.8130   72.745   6.8096 12.52158 8.953262 
1 1 1    3   37    6 o   50.887   3.0181  309.859   36.105  276.500   50.953  343.500   51.167   47.638   4.5862   53.298   4.0969 -5.659740 6.149596 
1 1 1    3   37    7 o   25.537   2.1017   77.899   12.561   64.700   17.974   90.500   17.562   23.020   3.4098   27.436   2.7478 -4.415911 4.379160 
1 1 1    3   37    8 o   46.898   2.9067  263.195   32.031  259.500   45.581  266.800   45.022   46.227   4.2223   46.912   4.1055 -0.6856003 5.889240 
1 1 1    3   37    9 o   60.407   3.5037  438.546   49.763  453.800   70.620  423.500   70.134   60.927   4.9514   58.782   5.1033 2.144321 7.110578 
1 1 1    3   37   10 o   44.076   2.6648  232.241   27.604  254.100   39.274  210.900   38.807   45.868   3.6565   41.668   3.9930 4.199875 5.414180 
1 1 1    3   37   11 o   16.449   1.7382   32.429   6.6492   38.600   9.6273   26.800   9.1945   17.867   2.3379   14.762   2.7384 3.104815 3.600680 
1 1 1    3   37   12 o   47.431   2.7804  269.429   31.005  298.800   44.329  241.300   43.381   49.660   3.8093   44.477   4.1795 5.182526 5.654987 
1 1 1    3   37   13 o   46.211   2.9144  256.336   31.639  247.500   45.098  264.900   44.398   44.972   4.2991   46.621   4.0739 -1.648350 5.922730 
1 1 1    3   37   14 o   37.923   2.4240  172.096   21.593  201.200   30.619  143.300   30.456   40.823   3.2020   34.234   3.8333 6.588669 4.994686 
1 1 1    3   37   15 f   83.665   4.5330  858.068   89.221  952.400  126.917  765.900  125.452   86.761   6.2365   77.134   6.9627 9.626686 9.347345 
1 1 1    3   37   16 o   42.225   2.7092  214.253   26.871  206.000   38.124  222.400   37.880   40.985   3.9898   42.671   3.7991 -1.685787 5.509198 
1 1 1    3   37   17 o   60.290   3.7269  442.752   52.798  387.600   74.978  497.000   74.361   55.178   5.8434   63.114   5.0313 -7.936153 7.711022 
1 1 1    3   37   18 o   57.635   3.3986  403.097   46.049  415.000   65.552  391.500   64.702   57.686   4.8575   55.964   4.9471 1.721912 6.933182 
1 1 1    3   37   19 o   45.660   2.3246  249.774   24.981  337.100   36.037  169.000   34.659   52.859   2.8982   36.964   4.0363 15.89452 4.969039 
1 1 1    3   37   20 o   55.950   3.3485  380.889   44.036  383.400   62.408  378.400   62.146   55.268   4.8305   54.895   4.8439 0.3727760 6.840866 
1 1 1    3   37   21 f   13.063   1.8650   20.724   5.5895   12.000   8.0112   29.000   7.8026   9.9659   3.0866   15.427   2.2045 -5.461446 3.793057 
1 1 1    3   37   22 o   87.616   5.0212  969.459  103.451  1055.30  146.595  884.300  146.011   88.688   7.0583   80.087   7.8206 8.600571 10.53476 
1 1 1    3   37   23 o   63.891   3.8924  503.584   58.444  467.200   82.979  539.400   82.330   59.857   5.9495   64.851   5.4261 -4.993690 8.052278 
1 1 1    3   37   24 o   52.066   3.1547  330.264   38.603  339.600   55.315  321.400   53.899   51.950   4.5552   50.521   4.5674 1.428478 6.450641 
1 1 1    3   37   25 o   29.926   2.4533  108.287   17.184   69.200   24.606  145.500   24.009   23.127   4.6666   34.542   2.9725 -11.41519 5.532895 
1 1 1    3   37   26 o   23.420   1.9232   65.920   10.542   75.900   15.438   57.200   14.431   24.952   2.6611   21.552   2.9099 3.399458 3.943213 
1 1 1    3   37   27 o   11.036   2.1332   15.074   5.3582   7.2000   8.5845   20.100   6.8583   8.5952   3.1845   12.736   2.3676 -4.140783 3.968183 
1 1 1    3   37   28 o   6.8180   2.0280   5.6461   3.5060   11.600   6.0938   2.7000   4.2865   9.6318   2.6129   5.7823   2.2259 3.849552 3.432532 
1 1 1    3   37   29 o   26.327   2.1198   83.810   13.066   67.200   18.569  100.100   18.389   23.068   3.5204   28.564   2.7608 -5.495853 4.473862 
1 1 1    3   37   30 f   21.290   1.9864   54.896   9.8713   50.800   14.428   58.500   13.535   20.101   3.1426   21.766   2.6907 -1.664532 4.137166 
1 1 1    3   37   31 o   29.067   2.3908  103.116   16.264   78.800   23.385  125.900   22.636   24.567   4.1808   31.828   3.0492 -7.261059 5.174611 
1 1 1    3   37   32 o   24.550   1.9790   73.090   11.375   78.200   16.266   68.200   15.913   25.081   2.7939   23.336   2.9538 1.745209 4.065860 
1 1 1    3   37   33 o   51.438   3.3264  333.451   40.187  316.300   57.260  350.100   56.415   48.093   5.1208   51.118   4.7272 -3.025074 6.969107 
1 1 1    3   37   34 o   3.9798   1.6149   0.7946   2.3685  -4.8000   5.1438   2.3000   2.6682   4.3342   2.0258   4.8565   1.7795 -0.5223351 2.696389 
1 1 1    3   37   35 o   7.0710   2.3256   5.9000   4.4951   0.0000   0.0000   5.9000   4.4951  ?   ?    7.0710   2.3256 0.000000 2.325625 
1 1 1    3   37   36 o   23.970   2.8861   72.600   16.008   0.0000   0.0000   72.600   16.008  ?   ?    23.970   2.8861 0.000000 2.886139 
1 1 1    3   37   37 o   21.989   2.8776   61.700   14.583   0.0000   0.0000   61.700   14.583  ?   ?    21.989   2.8776 0.000000 2.877635 
1 1 1    3   37   38 o   28.678   3.2477  108.000   21.605   0.0000   0.0000  108.000   21.605  ?   ?    28.678   3.2477 0.000000 3.247673 
1 1 1    3   37   39 o   18.679   1.9155   43.428   8.3292   36.600   11.893   50.000   11.669   16.421   3.1821   19.671   2.5738 -3.250147 4.092702 
1 1 1    3   37   40 o   17.745   1.8887   39.494   7.7923   53.500   11.103   25.900   10.939   20.372   2.3513   13.446   3.4333 6.925821 4.161235 
1 1 1    3   37   41 o   33.307   4.0114  166.500   30.914  166.500   30.914   0.0000   0.0000   33.307   4.0114  ?   ?  0.000000 4.011352 
1 1 1    3   37   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   37   43 o   18.698   2.9679   48.800   12.666   48.800   12.666   0.0000   0.0000   18.698   2.9679  ?   ?  0.000000 2.967854 
1 1 1    3   38    0 o   59.759   5.0832  437.000   70.537  437.000   70.537  437.000   70.537   59.759   5.0832   59.759   5.0832 0.000000 0.000000 
1 1 1    3   38    1 o   46.209   2.7952  255.366   30.357  227.700   42.828  283.300   43.035   43.257   4.2476   48.429   3.7935 -5.171696 5.694963 
1 1 1    3   38    2 f   89.477   5.0154  976.663  105.542  1040.20  149.362  913.300  149.156   90.988   7.0056   84.840   7.5233 6.148338 10.28004 
1 1 1    3   38    3 o   74.728   4.2782  676.128   75.180  693.800  106.238  658.400  106.403   74.777   6.0689   72.724   6.2570 2.053352 8.716738 
1 1 1    3   38    4 o   81.652   4.6151  810.452   88.620  782.700  125.219  838.300  125.436   78.943   6.7832   81.883   6.5420 -2.940323 9.423868 
1 1 1    3   38    5 o   18.008   1.8611   38.863   7.7996   27.000   11.108   50.400   10.955   14.739   3.2765   20.464   2.3072 -5.725359 4.007282 
1 1 1    3   38    6 o  121.044   6.5961  1834.06  187.824  2013.40  266.594  1657.30  264.664  123.607   9.1995  110.756   10.235 12.85152 13.76212 
1 1 1    3   38    7 f   72.304   4.2634  634.663   72.469  525.300  102.633  743.400  102.339   64.363   6.8586   77.502   5.6304 -13.13980 8.873680 
1 1 1    3   38    8 o   40.373   2.5226  194.924   23.929  212.900   34.469  178.200   33.247   41.960   3.5110   38.306   3.7226 3.654449 5.117133 
1 1 1    3   38    9 o   39.821   2.5517  189.775   23.868  197.700   33.916  182.000   33.594   40.385   3.5941   38.699   3.7221 1.685802 5.174088 
1 1 1    3   38   10 o   36.613   2.4677  160.472   21.210  155.500   30.219  165.300   29.777   35.754   3.6296   36.924   3.4554 -1.169258 5.011333 
1 1 1    3   38   11 o   25.934   1.9930   80.386   12.112   90.300   17.368   71.000   16.898   27.359   2.7246   24.161   3.0284 3.197437 4.073663 
1 1 1    3   38   12 o   91.285   5.2259  1032.98  112.180  1156.10  158.726  910.100  158.566   94.670   7.1531   82.849   8.2134 11.82077 10.89155 
1 1 1    3   38   13 o   42.587   2.7778  218.067   27.782  198.900   39.516  236.800   39.067   40.188   4.2274   44.054   3.7924 -3.865868 5.679226 
1 1 1    3   38   14 o   46.444   2.9167  259.911   31.826  252.300   45.192  267.400   44.826   45.238   4.2815   46.658   4.1106 -1.419842 5.935356 
1 1 1    3   38   15 o   66.183   3.9239  535.225   61.049  500.800   86.494  569.400   86.181   62.694   5.9123   67.220   5.4770 -4.525753 8.059342 
1 1 1    3   38   16 o   26.625   1.9851   84.863   12.391   69.800   17.389  100.400   17.661   23.864   3.1639   28.834   2.6225 -4.970467 4.109463 
1 1 1    3   38   17 o   18.262   1.9513   40.156   8.2843   35.300   12.289   44.200   11.216   16.832   3.2091   19.044   2.5587 -2.212782 4.104320 
1 1 1    3   38   18 o   68.130   3.8694  569.460   61.993  614.200   88.161  525.700   87.191   69.543   5.4112   63.947   5.8386 5.596096 7.960574 
1 1 1    3   38   19 o   15.750   1.7658   29.877   6.4541   38.600   9.3692   22.000   8.9035   17.826   2.2778   13.260   2.9223 4.566731 3.705207 
1 1 1    3   38   20 o   18.309   1.8565   40.333   7.9155   36.500   11.243   44.100   11.146   17.182   2.8725   19.006   2.5476 -1.824305 3.839461 
1 1 1    3   38   21 o   20.335   1.8629   49.678   8.8458   51.600   12.584   47.800   12.437   20.551   2.6552   19.746   2.7411 0.8052177 3.816296 
1 1 1    3   38   22 f   32.712   2.3368  128.880   17.932  121.700   25.597  135.800   25.129   31.396   3.5128   33.289   3.2377 -1.892893 4.777282 
1 1 1    3   38   23 o   18.649   1.7878   41.808   7.7766   49.000   11.691   36.100   10.415   20.041   2.5265   17.124   2.6622 2.917099 3.670218 
1 1 1    3   38   24 o   64.103   3.7863  507.548   57.059  452.300   80.656  562.900   80.732   58.703   5.8984   66.256   5.2019 -7.552582 7.864530 
1 1 1    3   38   25 o   12.255   2.0392   18.425   5.6938   7.7000   8.5420   27.000   7.6381   8.7293   3.1861   14.846   2.2493 -6.116472 3.900077 
1 1 1    3   38   26 o   20.653   1.9099   51.410   9.2088   47.400   13.124   55.300   12.925   19.552   2.9330   21.239   2.6335 -1.687035 3.941823 
1 1 1    3   38   27 o   12.614   1.8555   19.420   5.3618   24.900   8.0243   15.000   7.2069   14.163   2.4903   10.907   2.7877 3.255868 3.738006 
1 1 1    3   38   28 f   21.358   1.9285   55.111   9.6209   48.400   13.722   61.600   13.493   19.665   3.0541   22.392   2.6003 -2.726809 4.011124 
1 1 1    3   38   29 f   10.659   1.8241   13.979   4.4262   11.800   6.3815   16.000   6.1444   9.6930   2.6921   11.298   2.3783 -1.604917 3.592177 
1 1 1    3   38   30 f   24.901   2.0265   75.172   11.812   69.000   16.735   81.300   16.676   23.445   3.0987   25.608   2.8035 -2.162872 4.178688 
1 1 1    3   38   31 o   38.684   2.5970  183.836   23.585  186.200   33.829  181.600   32.898   38.102   3.8110   37.674   3.7478 0.4287720 5.345081 
1 1 1    3   38   32 o   26.567   2.1060   85.945   13.103   79.100   18.662   92.600   18.402   24.971   3.2414   27.220   2.9080 -2.248837 4.354647 
1 1 1    3   38   33 o   17.392   2.7558   38.100   10.940   0.0000   0.0000   38.100   10.940  ?   ?    17.392   2.7558 0.000000 2.755800 
1 1 1    3   38   34 f   25.409   2.9891   81.500   17.592   0.0000   0.0000   81.500   17.592  ?   ?    25.409   2.9891 0.000000 2.989105 
1 1 1    3   38   35 o   6.6736   2.2698   5.1000   4.2771   0.0000   0.0000   5.1000   4.2771  ?   ?    6.6736   2.2698 0.000000 2.269824 
1 1 1    3   38   36 f   33.304   3.5491  145.500   27.481   0.0000   0.0000  145.500   27.481  ?   ?    33.304   3.5491 0.000000 3.549111 
1 1 1    3   38   37 o   6.6465   2.2936   5.1000   4.3708   0.0000   0.0000   5.1000   4.3708  ?   ?    6.6465   2.2936 0.000000 2.293559 
1 1 1    3   38   38 o   15.115   2.8257   30.300   9.7147   0.0000   0.0000   30.300   9.7147  ?   ?    15.115   2.8257 0.000000 2.825666 
1 1 1    3   38   39 o   10.192   2.8742   14.200   7.2167   0.0000   0.0000   14.200   7.2167  ?   ?    10.192   2.8742 0.000000 2.874243 
1 1 1    3   38   40 o   16.070   2.9781   35.600   10.885   35.600   10.885   0.0000   0.0000   16.070   2.9781  ?   ?  0.000000 2.978141 
1 1 1    3   38   41 o   3.0289   1.4667  -5.0000   3.2297  -5.0000   3.2297   0.0000   0.0000   3.0289   1.4667  ?   ?  0.000000 1.466691 
1 1 1    3   38   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   39    0 o   53.864   4.6938  355.700   58.659  355.700   58.659  355.700   58.659   53.864   4.6938   53.864   4.6938 -0.000000 0.000000 
1 1 1    3   39    1 o   59.159   3.4488  421.857   47.970  449.600   67.953  394.300   67.726   60.514   4.7947   56.489   5.1333 4.024891 7.024268 
1 1 1    3   39    2 o   77.720   4.3721  735.669   79.913  808.900  113.155  662.800  112.874   80.446   5.9999   72.299   6.6873 8.147270 8.984351 
1 1 1    3   39    3 o   33.631   2.3012  135.226   18.165  145.500   25.720  125.000   25.659   34.702   3.1739   32.077   3.4413 2.625168 4.681449 
1 1 1    3   39    4 o   74.525   4.1527  675.174   72.789  758.300  103.143  592.700  102.737   78.072   5.6326   68.449   6.4317 9.623138 8.549437 
1 1 1    3   39    5 o   56.059   3.2189  378.304   42.432  433.300   60.171  323.900   59.846   59.570   4.3066   51.151   5.0194 8.419083 6.613731 
1 1 1    3   39    6 o   11.387   1.7309   15.728   4.5074   10.800   6.0666   21.800   6.7345   9.3817   2.6316   13.362   2.2117 -3.980687 3.437586 
1 1 1    3   39    7 o   29.105   2.2093  101.397   15.071   81.600   21.421  120.800   21.207   25.775   3.6192   31.646   2.8691 -5.870646 4.618443 
1 1 1    3   39    8 o   8.7248   2.0711   9.4163   4.2031   0.9000   6.2617   16.400   5.6704   6.1720   2.5769   11.557   2.1572 -5.384488 3.360673 
1 1 1    3   39    9 o   40.396   2.5174  195.607   23.894  214.900   34.148  177.100   33.446   42.073   3.4681   38.070   3.7700 4.002781 5.122548 
1 1 1    3   39   10 o   46.052   2.7844  254.993   30.137  282.700   42.861  227.900   42.384   48.134   3.8018   43.021   4.2267 5.113689 5.684991 
1 1 1    3   39   11 o   21.594   2.0122   55.963   10.142   47.900   14.642   63.400   14.061   19.691   3.2632   22.868   2.6533 -3.176443 4.205834 
1 1 1    3   39   12 o   25.736   1.9576   79.254   11.807   97.600   16.837   61.500   16.563   28.459   2.5319   22.372   3.2286 6.086353 4.102927 
1 1 1    3   39   13 o   62.192   3.7810  472.068   55.263  423.100   78.411  520.400   77.900   57.581   5.8480   64.422   5.1642 -6.841541 7.801815 
1 1 1    3   39   14 o   59.834   3.1598  433.166   44.486  529.200   63.465  340.400   62.376   65.613   4.1171   51.979   5.1497 13.63382 6.593146 
1 1 1    3   39   15 o   10.076   1.8818   12.469   4.3126   19.600   6.5457   7.0000   5.7326   12.620   2.2804   7.8594   2.6280 4.761017 3.479466 
1 1 1    3   39   16 o   11.620   1.8695   16.471   4.9558   13.400   7.2978   19.100   6.7512   10.392   2.8763   12.432   2.3865 -2.040554 3.737400 
1 1 1    3   39   17 o   46.535   2.5566  260.637   27.985  321.200   40.275  204.100   38.914   51.340   3.3403   40.535   4.1229 10.80571 5.306219 
1 1 1    3   39   18 o   21.594   2.0070   56.092   10.117   48.100   14.639   63.400   13.998   19.675   3.2654   22.823   2.6465 -3.148233 4.203161 
1 1 1    3   39   19 o   40.707   2.1551  198.577   20.641  270.100   29.752  132.200   28.662   47.313   2.6739   32.656   3.7872 14.65775 4.636026 
1 1 1    3   39   20 o   53.846   2.8210  350.685   35.744  439.000   51.371  267.800   49.767   59.791   3.6561   46.096   4.6350 13.69500 5.903369 
1 1 1    3   39   21 o   27.258   2.2179   89.492   14.152   66.500   20.236  111.500   19.798   22.982   3.8661   30.280   2.8007 -7.297691 4.773961 
1 1 1    3   39   22 o   25.402   2.1525   77.751   12.790   68.800   18.649   85.700   17.575   23.505   3.4637   26.485   2.8553 -2.979164 4.488925 
1 1 1    3   39   23 o   36.532   2.1996  160.436   18.886  199.400   27.168  124.000   26.272   40.504   2.8590   31.621   3.5818 8.883047 4.582865 
1 1 1    3   39   24 o   11.714   1.8952   16.796   5.0632   10.700   7.3858   22.200   6.9546   9.4232   2.9710   13.421   2.2757 -3.998159 3.742432 
1 1 1    3   39   25 o   13.268   1.8700   21.447   5.6963   22.000   8.5211   21.000   7.6593   13.224   2.8151   12.962   2.5929 0.2623158 3.827249 
1 1 1    3   39   26 o   31.410   2.2551  119.383   16.615  115.700   23.605  123.000   23.390   30.488   3.3331   31.512   3.1872 -1.023808 4.611686 
1 1 1    3   39   27 o   13.360   1.7180   21.677   5.2944   28.400   7.7883   15.900   7.2190   15.196   2.2374   11.209   2.7484 3.986999 3.543973 
1 1 1    3   39   28 o   30.516   2.3761  113.420   16.987   83.900   24.242  141.900   23.811   25.398   4.1880   33.853   3.0100 -8.455235 5.157486 
1 1 1    3   39   29 o   18.698   1.8987   42.445   8.2672   42.700   11.817   42.200   11.570   18.470   2.7970   18.375   2.7511 0.9411240E-01 3.923244 
1 1 1    3   39   30 o   15.688   1.9516   30.089   7.0735   24.800   10.624   34.300   9.4804   13.828   3.2995   16.598   2.4960 -2.770230 4.137259 
1 1 1    3   39   31 o   5.2901   1.9220   2.8000   3.1034   0.0000   0.0000   2.8000   3.1034  ?   ?    5.2901   1.9220 0.000000 1.922012 
1 1 1    3   39   32 o   24.033   2.8811   72.400   16.024   0.0000   0.0000   72.400   16.024  ?   ?    24.033   2.8811 0.000000 2.881094 
1 1 1    3   39   33 o   24.110   2.9291   73.300   16.334   0.0000   0.0000   73.300   16.334  ?   ?    24.110   2.9291 0.000000 2.929061 
1 1 1    3   39   34 o   32.265   3.4167  134.200   25.636   0.0000   0.0000  134.200   25.636  ?   ?    32.265   3.4167 0.000000 3.416678 
1 1 1    3   39   35 o   12.340   2.4899   19.500   7.0054   0.0000   0.0000   19.500   7.0054  ?   ?    12.340   2.4899 0.000000 2.489913 
1 1 1    3   39   36 o   32.509   3.6285  142.600   27.379   0.0000   0.0000  142.600   27.379  ?   ?    32.509   3.6285 0.000000 3.628477 
1 1 1    3   39   37 o   6.7648   2.5853   4.5000   5.7554   0.0000   0.0000   4.5000   5.7554  ?   ?    6.7648   2.5853 0.000000 2.585272 
1 1 1    3   39   38 o   16.375   3.0166   36.600   11.235   0.0000   0.0000   36.600   11.235  ?   ?    16.375   3.0166 0.000000 3.016606 
1 1 1    3   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   39   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   40    0 o   6.9027   3.0023   8.1000   5.0695   8.1000   5.0695   8.1000   5.0695   6.9027   3.0023   6.9027   3.0023 0.000000 0.000000 
1 1 1    3   40    1 o   82.023   4.7050  828.976   90.748  812.600  128.245  845.400  128.430   79.328   6.9154   81.062   6.7715 -1.734726 9.678624 
1 1 1    3   40    2 o   12.414   1.8948   18.728   5.3784   17.900   7.5115   19.600   7.7044   11.998   2.7146   12.569   2.6779 -0.5701342 3.813159 
1 1 1    3   40    3 o   49.422   3.0276  294.380   35.163  308.600   49.676  280.100   49.780   50.128   4.2363   47.634   4.4782 2.494350 6.164425 
1 1 1    3   40    4 o   31.019   2.2052  115.205   16.047  129.900   22.690  100.500   22.698   32.771   2.9642   28.671   3.4202 4.100319 4.525887 
1 1 1    3   40    5 o   16.782   1.7952   33.832   7.0038   28.300   9.8888   39.400   9.9209   15.122   2.8743   18.017   2.3909 -2.894561 3.738771 
1 1 1    3   40    6 o   85.749   4.9684  912.513  100.170  866.700  141.760  958.200  141.565   81.125   7.4845   85.817   7.0482 -4.691910 10.28078 
1 1 1    3   40    7 o   20.593   1.7656   50.740   8.5026   34.600   11.861   67.800   12.194   16.702   3.1223   23.751   2.1992 -7.049603 3.819096 
1 1 1    3   40    8 o   52.956   3.1659  338.961   39.407  327.500   55.636  350.500   55.825   51.377   4.6358   53.245   4.4818 -1.868000 6.448034 
1 1 1    3   40    9 o   48.957   3.0502  289.518   35.087  253.900   49.703  324.900   49.538   45.118   4.7359   51.410   4.1151 -6.292728 6.273969 
1 1 1    3   40   10 o   28.153   1.9157   94.744   12.660  129.000   18.456   64.300   17.399   32.767   2.4020   22.846   3.3225 9.920771 4.099810 
1 1 1    3   40   11 o   31.637   2.2810  120.141   16.926  110.900   24.057  129.200   23.820   30.070   3.4504   32.584   3.1344 -2.514139 4.661564 
1 1 1    3   40   12 o   26.829   2.0954   86.354   13.170   84.600   18.931   88.000   18.333   26.306   3.1075   26.884   2.9356 -0.5783653 4.274846 
1 1 1    3   40   13 o   35.838   2.4323  154.456   20.462  154.100   29.178  154.800   28.703   35.445   3.5332   35.552   3.4630 -0.1069107 4.947316 
1 1 1    3   40   14 o   29.456   2.1098  104.080   14.578  113.000   21.010   95.800   20.244   30.476   2.9567   27.992   3.1155 2.484173 4.295194 
1 1 1    3   40   15 o   48.606   3.0468  286.476   34.793  261.100   49.329  311.600   49.083   45.610   4.6449   50.132   4.1845 -4.521427 6.251825 
1 1 1    3   40   16 o   43.374   2.4177  226.113   24.664  292.400   35.373  163.400   34.406   49.088   3.0670   36.232   4.0932 12.85589 5.114812 
1 1 1    3   40   17 o   28.520   2.1476   97.728   14.357   73.000   20.316  122.400   20.293   24.198   3.6706   31.778   2.7308 -7.580170 4.575019 
1 1 1    3   40   18 o   37.064   2.4703  165.571   21.497  171.500   31.031  160.100   29.809   37.323   3.5643   36.059   3.5467 1.264370 5.028209 
1 1 1    3   40   19 o   31.730   2.2566  121.123   16.797  116.900   23.820  125.300   23.690   30.836   3.3238   31.988   3.1783 -1.152412 4.598855 
1 1 1    3   40   20 o   15.537   1.8628   29.184   6.6981   33.900   9.7079   24.900   9.2535   16.607   2.5576   14.113   2.8743 2.493957 3.847440 
1 1 1    3   40   21 o   27.531   2.1328   91.226   13.757   91.700   19.992   90.800   18.960   27.299   3.1598   27.216   3.0000 0.8217812E-01 4.357111 
1 1 1    3   40   22 o   29.680   2.2805  106.350   15.861   92.700   22.732  119.300   22.141   27.239   3.6241   31.187   3.0453 -3.948030 4.733694 
1 1 1    3   40   23 o   25.243   2.1021   76.910   12.416   69.700   17.897   83.600   17.240   23.647   3.2946   26.098   2.8435 -2.450939 4.351933 
1 1 1    3   40   24 o   15.171   1.8716   27.933   6.5628   18.400   9.3223   37.300   9.2406   12.038   3.2177   17.459   2.2971 -5.421111 3.953485 
1 1 1    3   40   25 o   22.445   1.9623   60.860   10.296   59.200   14.839   62.400   14.297   21.827   2.9550   22.491   2.7492 -0.6639404 4.036120 
1 1 1    3   40   26 o   22.674   1.9492   62.140   10.335   52.200   14.645   72.000   14.586   20.383   3.1439   24.215   2.5911 -3.831743 4.074089 
1 1 1    3   40   27 o   25.093   2.0696   76.372   12.154   74.500   17.542   78.100   16.854   24.380   3.1186   25.064   2.9013 -0.6847057 4.259445 
1 1 1    3   40   28 o   14.094   2.5321   24.900   8.1175   0.0000   0.0000   24.900   8.1175  ?   ?    14.094   2.5321 0.000000 2.532105 
1 1 1    3   40   29 o   32.541   3.3806  134.000   25.597   0.0000   0.0000  134.000   25.597  ?   ?    32.541   3.3806 0.000000 3.380561 
1 1 1    3   40   30 o   41.606   4.0369  224.700   39.162   0.0000   0.0000  224.700   39.162  ?   ?    41.606   4.0369 0.000000 4.036897 
1 1 1    3   40   31 o   3.3877   1.5577  -2.1000   2.8596   0.0000   0.0000  -2.1000   2.8596  ?   ?    3.3877   1.5577 0.000000 1.557739 
1 1 1    3   40   32 o   7.5250   2.3599   6.9000   4.6664   0.0000   0.0000   6.9000   4.6664  ?   ?    7.5250   2.3599 0.000000 2.359901 
1 1 1    3   40   33 o   21.694   2.9529   60.000   14.733   0.0000   0.0000   60.000   14.733  ?   ?    21.694   2.9529 0.000000 2.952852 
1 1 1    3   40   34 o   18.545   3.0320   44.700   12.819   0.0000   0.0000   44.700   12.819  ?   ?    18.545   3.0320 0.000000 3.031955 
1 1 1    3   40   35 f   12.172   3.2085   20.100   9.3528   0.0000   0.0000   20.100   9.3528  ?   ?    12.172   3.2085 0.000000 3.208482 
1 1 1    3   40   36 o   20.561   3.1224   56.900   14.683   0.0000   0.0000   56.900   14.683  ?   ?    20.561   3.1224 0.000000 3.122375 
1 1 1    3   40   37 o   30.765   3.6538  134.600   26.025   0.0000   0.0000  134.600   26.025  ?   ?    30.765   3.6538 0.000000 3.653828 
1 1 1    3   40   38 o   18.713   3.1107   48.600   13.263   0.0000   0.0000   48.600   13.263  ?   ?    18.713   3.1107 0.000000 3.110665 
1 1 1    3   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   41    0 o   22.398   2.9362   62.700   14.790   62.700   14.790   62.700   14.790   22.398   2.9362   22.398   2.9362 -0.000000 0.000000 
1 1 1    3   41    1 o   6.1176   1.8896   4.4375   3.0047   2.9000   4.1686   6.1000   4.3347   5.8276   2.2066   7.2022   2.2767 -1.374565 3.170529 
1 1 1    3   41    2 o   34.942   2.3709  146.500   19.446  136.100   27.501  156.900   27.501   33.341   3.5477   35.911   3.2793 -2.570492 4.831107 
1 1 1    3   41    3 o   41.439   2.5911  206.396   25.227  238.300   35.792  174.900   35.562   44.246   3.4531   37.639   4.0658 6.606915 5.334306 
1 1 1    3   41    4 o   9.4715   1.8272   11.024   3.9385   17.100   5.9203   6.2000   5.2751   11.787   2.2082   7.4559   2.5209 4.331141 3.351254 
1 1 1    3   41    5 o   62.344   3.6363  473.565   53.301  431.800   75.303  515.500   75.455   58.355   5.5308   64.177   5.0190 -5.822426 7.468629 
1 1 1    3   41    6 o   8.0129   1.9083   7.9472   3.5590   7.9000   4.8998   8.0000   5.1780   8.0728   2.3966   8.1519   2.4737 -0.7913113E-01 3.444240 
1 1 1    3   41    7 o   46.499   2.8907  261.040   31.583  265.800   44.710  256.300   44.620   46.402   4.1234   45.524   4.1980 0.8784370 5.884346 
1 1 1    3   41    8 o   30.908   2.0396  114.349   14.803   78.100   20.765  151.800   21.107   25.115   3.6047   35.510   2.5338 -10.39413 4.406146 
1 1 1    3   41    9 o   24.664   1.9877   72.940   11.478   61.700   16.155   84.400   16.312   22.400   3.1404   26.393   2.6532 -3.993170 4.111144 
1 1 1    3   41   10 o   40.695   2.6239  199.553   25.080  207.100   35.701  192.200   35.241   41.051   3.7235   39.492   3.8271 1.559120 5.339556 
1 1 1    3   41   11 o   31.544   2.2850  119.572   16.905  114.900   23.964  124.200   23.851   30.606   3.3717   31.887   3.2112 -1.281300 4.656234 
1 1 1    3   41   12 o   20.638   1.7773   51.045   8.5770   64.700   12.395   38.500   11.881   23.149   2.2979   17.645   2.9560 5.504620 3.744112 
1 1 1    3   41   13 o   30.297   2.2910  110.407   16.269   89.400   23.180  130.800   22.839   26.810   3.7653   32.793   2.9820 -5.982800 4.803145 
1 1 1    3   41   14 f   52.380   3.0904  332.945   38.055  371.000   54.110  295.700   53.531   54.676   4.2238   48.476   4.7370 6.199532 6.346591 
1 1 1    3   41   15 o   22.984   2.0077   63.500   10.787   59.500   15.562   67.200   14.967   21.977   3.0836   23.473   2.7525 -1.495804 4.133330 
1 1 1    3   41   16 o   65.822   3.6852  531.603   57.048  582.900   81.364  482.000   80.010   67.769   5.1222   61.183   5.6001 6.585964 7.589318 
1 1 1    3   41   17 o   13.566   1.8656   22.338   5.8182   20.800   8.4884   23.700   7.9906   12.884   2.8643   13.837   2.5391 -0.9535837 3.827660 
1 1 1    3   41   18 o   51.664   2.9500  323.893   35.840  372.900   51.198  276.800   50.188   54.856   3.9795   46.852   4.5955 8.003407 6.079063 
1 1 1    3   41   19 o   23.626   2.0044   67.162   11.077   71.000   16.480   64.000   14.960   24.039   2.9661   22.846   2.8339 1.193291 4.102314 
1 1 1    3   41   20 o   30.528   2.2144  112.337   15.854  113.000   22.656  111.700   22.194   30.281   3.2178   30.124   3.1676 0.1569824 4.515268 
1 1 1    3   41   21 o   31.704   2.2757  121.408   16.924  122.000   23.783  120.800   24.087   31.421   3.2525   31.238   3.3162 0.1833782 4.644990 
1 1 1    3   41   22 o   53.613   3.5229  356.384   44.351  300.300   63.201  410.800   62.254   47.358   5.7709   56.549   4.7048 -9.191399 7.445729 
1 1 1    3   41   23 o   12.616   1.9726   19.520   5.6841   16.300   8.8279   21.800   7.4289   11.351   3.1712   13.227   2.4692 -1.876335 4.019156 
1 1 1    3   41   24 o   26.156   2.0800   82.752   12.741   82.700   18.331   82.800   17.722   25.795   3.0698   25.857   2.9555 -0.6236839E-01 4.261305 
1 1 1    3   41   25 o   49.119   3.2337  299.939   37.297  271.000   53.254  327.800   52.253   45.058   5.0947   50.263   4.4484 -5.205109 6.763428 
1 1 1    3   41   26 o   16.324   2.5722   33.200   9.5865   0.0000   0.0000   33.200   9.5865  ?   ?    16.324   2.5722 0.000000 2.572184 
1 1 1    3   41   27 o   25.100   2.9430   78.700   17.112   0.0000   0.0000   78.700   17.112  ?   ?    25.100   2.9430 0.000000 2.943027 
1 1 1    3   41   28 o   2.9191   1.3624  -2.2000   2.3133   0.0000   0.0000  -2.2000   2.3133  ?   ?    2.9191   1.3624 0.000000 1.362435 
1 1 1    3   41   29 o   25.747   3.0288   83.300   18.063   0.0000   0.0000   83.300   18.063  ?   ?    25.747   3.0288 0.000000 3.028792 
1 1 1    3   41   30 o   18.766   2.9112   44.600   12.483   0.0000   0.0000   44.600   12.483  ?   ?    18.766   2.9112 0.000000 2.911170 
1 1 1    3   41   31 o   26.371   3.0980   88.300   18.924   0.0000   0.0000   88.300   18.924  ?   ?    26.371   3.0980 0.000000 3.097997 
1 1 1    3   41   32 o   44.890   4.5560  277.500   47.625   0.0000   0.0000  277.500   47.625  ?   ?    44.890   4.5560 0.000000 4.556017 
1 1 1    3   41   33 o   23.592   3.0693   72.300   16.694   0.0000   0.0000   72.300   16.694  ?   ?    23.592   3.0693 0.000000 3.069295 
1 1 1    3   41   34 o   23.760   3.0706   74.500   16.825   0.0000   0.0000   74.500   16.825  ?   ?    23.760   3.0706 0.000000 3.070625 
1 1 1    3   41   35 o   8.7816   3.0490   9.8000   7.7298   0.0000   0.0000   9.8000   7.7298  ?   ?    8.7816   3.0490 0.000000 3.048981 
1 1 1    3   41   36 o   8.6001   2.8356   9.7000   6.6813   0.0000   0.0000   9.7000   6.6813  ?   ?    8.6001   2.8356 0.000000 2.835626 
1 1 1    3   41   37 o   4.4950   2.0772  -3.4000   5.1754   0.0000   0.0000  -3.4000   5.1754  ?   ?    4.4950   2.0772 0.000000 2.077189 
1 1 1    3   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   41   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   42    0 o   25.632   3.0139   81.500   17.581   81.500   17.581   81.500   17.581   25.632   3.0139   25.632   3.0139 -0.000000 0.000000 
1 1 1    3   42    1 o   27.613   2.0990   91.461   13.584   89.500   19.265   93.400   19.156   27.074   3.0675   27.690   2.9764 -0.6165543 4.274193 
1 1 1    3   42    2 o   15.489   1.7567   28.891   6.3116   31.900   9.0168   26.000   8.8377   16.151   2.4403   14.497   2.6803 1.653698 3.624822 
1 1 1    3   42    3 o   31.480   2.2280  118.947   16.455  127.100   23.275  110.800   23.266   32.310   3.0882   30.072   3.3324 2.237953 4.543387 
1 1 1    3   42    4 f   38.535   2.5093  178.659   22.709  189.900   32.174  167.500   32.057   39.398   3.4946   36.893   3.7310 2.505028 5.112036 
1 1 1    3   42    5 o   26.745   2.0673   85.802   12.954   86.600   18.292   85.000   18.348   26.654   2.9560   26.392   2.9972 0.2617149 4.209700 
1 1 1    3   42    6 o   56.580   3.3750  389.563   44.886  422.400   63.514  356.800   63.443   58.156   4.6643   53.127   5.1206 5.028927 6.926470 
1 1 1    3   42    7 o   19.587   1.8455   46.064   8.4353   44.300   11.660   48.000   12.218   19.032   2.6679   19.822   2.6790 -0.7898445 3.780800 
1 1 1    3   42    8 o   21.210   1.9233   54.022   9.5279   66.900   13.411   40.900   13.538   23.510   2.4519   18.115   3.2860 5.395195 4.099979 
1 1 1    3   42    9 o   38.751   2.4842  180.702   22.612  159.500   31.832  202.300   32.128   35.937   3.8092   40.697   3.3735 -4.760277 5.088266 
1 1 1    3   42   10 o   32.148   2.2829  124.218   17.217  132.300   24.248  116.000   24.452   32.925   3.1575   30.721   3.4292 2.204205 4.661458 
1 1 1    3   42   11 o   17.871   1.8135   38.408   7.5469   41.400   10.658   35.400   10.688   18.414   2.5171   16.943   2.7668 1.471115 3.740477 
1 1 1    3   42   12 o   25.458   2.0419   77.826   12.172   76.800   17.439   78.800   16.995   25.046   3.0090   25.410   2.8836 -0.3640938 4.167581 
1 1 1    3   42   13 o   43.345   2.6637  226.790   27.132  257.700   38.599  196.600   38.147   45.815   3.5968   39.738   4.1254 6.077473 5.473180 
1 1 1    3   42   14 o   41.297   2.7433  206.342   26.600  165.200   37.729  247.000   37.507   36.181   4.5144   44.836   3.5722 -8.655590 5.756762 
1 1 1    3   42   15 o   60.962   3.5774  455.712   51.273  483.100   72.696  428.600   72.327   61.677   5.0354   57.808   5.3595 3.868874 7.353852 
1 1 1    3   42   16 o   33.044   1.9020  130.686   14.778  190.400   21.618   78.300   20.249   39.787   2.3110   25.091   3.5140 14.69592 4.205792 
1 1 1    3   42   17 o   51.082   3.1422  318.533   37.718  319.800   53.719  317.300   52.971   50.282   4.5744   50.119   4.5247 0.1629601 6.434101 
1 1 1    3   42   18 o   32.440   2.2063  126.798   16.800   92.700   23.638  161.600   23.881   27.160   3.7889   36.429   2.7975 -9.268396 4.709732 
1 1 1    3   42   19 o   17.378   2.0419   36.645   8.2193   27.400   12.302   44.100   11.047   14.631   3.5881   18.961   2.5305 -4.329986 4.390620 
1 1 1    3   42   20 o   64.168   3.9562  516.111   59.654  489.200   84.780  542.500   83.953   60.216   6.0440   63.966   5.6149 -3.750671 8.249638 
1 1 1    3   42   21 o   25.787   2.0482   80.292   12.369   69.700   17.141   91.800   17.867   23.655   3.1467   27.330   2.8084 -3.675032 4.217722 
1 1 1    3   42   22 o   28.530   2.0756   98.324   13.887  109.800   20.232   88.100   19.097   29.845   2.9078   26.630   3.0946 3.214769 4.246379 
1 1 1    3   42   23 o   15.438   2.5762   29.700   9.0604   0.0000   0.0000   29.700   9.0604  ?   ?    15.438   2.5762 0.000000 2.576188 
1 1 1    3   42   24 o   44.627   4.2385  257.300   44.129   0.0000   0.0000  257.300   44.129  ?   ?    44.627   4.2385 0.000000 4.238452 
1 1 1    3   42   25 o   38.321   3.7636  187.400   33.618   0.0000   0.0000  187.400   33.618  ?   ?    38.321   3.7636 0.000000 3.763638 
1 1 1    3   42   26 o   12.372   2.6416   19.400   7.4826   0.0000   0.0000   19.400   7.4826  ?   ?    12.372   2.6416 0.000000 2.641591 
1 1 1    3   42   27 o   13.044   2.9407   21.800   8.8414   0.0000   0.0000   21.800   8.8414  ?   ?    13.044   2.9407 0.000000 2.940708 
1 1 1    3   42   28 o   33.245   3.5035  141.100   27.090   0.0000   0.0000  141.100   27.090  ?   ?    33.245   3.5035 0.000000 3.503519 
1 1 1    3   42   29 o   14.237   2.7463   25.800   8.8978   0.0000   0.0000   25.800   8.8978  ?   ?    14.237   2.7463 0.000000 2.746283 
1 1 1    3   42   30 o   5.0329   2.2228  -1.3000   5.1828   0.0000   0.0000  -1.3000   5.1828  ?   ?    5.0329   2.2228 0.000000 2.222809 
1 1 1    3   42   31 o   33.129   3.6321  144.800   27.948   0.0000   0.0000  144.800   27.948  ?   ?    33.129   3.6321 0.000000 3.632052 
1 1 1    3   42   32 o   13.870   3.0514   25.600   9.7227   0.0000   0.0000   25.600   9.7227  ?   ?    13.870   3.0514 0.000000 3.051424 
1 1 1    3   42   33 f   35.684   4.0240  179.500   33.315   0.0000   0.0000  179.500   33.315  ?   ?    35.684   4.0240 0.000000 4.023971 
1 1 1    3   42   34 o   10.102   3.0114   13.900   7.7243   0.0000   0.0000   13.900   7.7243  ?   ?    10.102   3.0114 0.000000 3.011381 
1 1 1    3   42   35 o   13.392   3.1137   25.000   9.6599   0.0000   0.0000   25.000   9.6599  ?   ?    13.392   3.1137 0.000000 3.113660 
1 1 1    3   42   36 o   10.648   2.8404   15.700   7.2738   0.0000   0.0000   15.700   7.2738  ?   ?    10.648   2.8404 0.000000 2.840443 
1 1 1    3   42   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   42   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   43    0 f   26.280   3.0681   85.700   18.362   85.700   18.362   85.700   18.362   26.280   3.0681   26.280   3.0681 0.000000 0.000000 
1 1 1    3   43    1 o   40.718   2.6334  199.864   25.184  192.100   35.648  207.600   35.585   39.447   3.8771   41.095   3.7069 -1.648090 5.364058 
1 1 1    3   43    2 o   16.170   1.7736   31.473   6.6610   39.600   9.4358   23.400   9.4043   18.065   2.2615   13.672   2.9957 4.392702 3.753466 
1 1 1    3   43    3 o   39.325   2.5663  186.314   23.700  181.300   33.565  191.300   33.468   38.358   3.7538   39.462   3.6324 -1.103577 5.223524 
1 1 1    3   43    4 f   25.332   1.9406   76.916   11.520   94.500   16.452   60.000   16.136   27.962   2.5186   22.054   3.1913 5.908438 4.065435 
1 1 1    3   43    5 o   56.767   3.3330  392.325   44.482  466.600   62.981  318.400   62.832   61.268   4.3822   49.892   5.4204 11.37618 6.970249 
1 1 1    3   43    6 o   40.152   2.5549  194.229   24.098  164.900   34.009  223.800   34.150   36.443   4.0189   42.791   3.4079 -6.348022 5.269309 
1 1 1    3   43    7 o   44.834   2.8339  243.048   29.847  292.300   42.190  193.700   42.231   48.799   3.6886   39.217   4.6510 9.581642 5.936104 
1 1 1    3   43    8 o   38.249   2.5002  176.214   22.458  197.100   31.788  155.400   31.733   40.142   3.3850   35.426   3.8557 4.716728 5.130778 
1 1 1    3   43    9 o   16.105   1.8193   31.269   6.7972   27.200   9.5208   35.500   9.7073   14.790   2.8292   17.033   2.4868 -2.242641 3.766779 
1 1 1    3   43   10 o   7.8024   2.1605   7.4960   4.1165  -4.1000   5.7373   19.800   5.9098   4.8232   2.2136   12.726   2.0351 -7.903273 3.006955 
1 1 1    3   43   11 o   18.406   1.7941   40.717   7.6984   43.200   11.080   38.400   10.704   18.799   2.5628   17.685   2.6444 1.113741 3.682474 
1 1 1    3   43   12 o   22.709   1.9362   61.948   10.283   62.100   14.631   61.800   14.456   22.527   2.8117   22.480   2.7828 0.4703140E-01 3.956019 
1 1 1    3   43   13 o   18.075   1.7892   39.300   7.5361   48.700   10.658   29.900   10.658   20.033   2.2944   15.460   3.0277 4.572842 3.798856 
1 1 1    3   43   14 o   20.361   1.9721   49.972   9.3629   50.900   13.894   49.200   12.672   20.290   2.9895   20.010   2.7551 0.2806187 4.065390 
1 1 1    3   43   15 f   34.517   2.1947  143.403   17.796  172.700   25.847  117.000   24.537   37.622   2.9326   30.728   3.4407 6.893549 4.520910 
1 1 1    3   43   16 o   13.564   1.8921   22.392   5.8954   19.000   8.6000   25.400   8.0974   12.264   2.9954   14.326   2.4837 -2.061462 3.891167 
1 1 1    3   43   17 o   27.379   2.0990   90.401   13.468   97.000   19.515   84.400   18.609   28.075   2.9897   26.138   3.0736 1.936712 4.287837 
1 1 1    3   43   18 o   11.838   1.8193   17.128   4.9230   24.100   6.9730   10.200   6.9513   14.005   2.1794   9.1773   2.8806 4.827395 3.612197 
1 1 1    3   43   19 o   17.415   1.9795   36.806   7.9953   30.000   11.904   42.400   10.792   15.322   3.3808   18.560   2.5282 -3.237924 4.221577 
1 1 1    3   43   20 o   24.439   2.8987   73.900   16.402   0.0000   0.0000   73.900   16.402  ?   ?    24.439   2.8987 0.000000 2.898736 
1 1 1    3   43   21 o   10.114   2.5080   12.900   5.9604   0.0000   0.0000   12.900   5.9604  ?   ?    10.114   2.5080 0.000000 2.508038 
1 1 1    3   43   22 o   27.286   3.0840   92.900   19.522   0.0000   0.0000   92.900   19.522  ?   ?    27.286   3.0840 0.000000 3.084008 
1 1 1    3   43   23 o   28.812   3.1941  104.100   21.365   0.0000   0.0000  104.100   21.365  ?   ?    28.812   3.1941 0.000000 3.194099 
1 1 1    3   43   24 f   34.109   3.5489  147.600   28.165   0.0000   0.0000  147.600   28.165  ?   ?    34.109   3.5489 0.000000 3.548884 
1 1 1    3   43   25 o   16.180   2.8706   33.100   10.566   0.0000   0.0000   33.100   10.566  ?   ?    16.180   2.8706 0.000000 2.870580 
1 1 1    3   43   26 o   17.155   2.7361   37.000   10.711   0.0000   0.0000   37.000   10.711  ?   ?    17.155   2.7361 0.000000 2.736083 
1 1 1    3   43   27 o   7.8909   2.7248   7.1000   6.1696   0.0000   0.0000   7.1000   6.1696  ?   ?    7.8909   2.7248 0.000000 2.724838 
1 1 1    3   43   28 o   9.6111   3.0040   11.600   7.5682   0.0000   0.0000   11.600   7.5682  ?   ?    9.6111   3.0040 0.000000 3.003951 
1 1 1    3   43   29 o   13.601   3.0617   24.200   9.5958   0.0000   0.0000   24.200   9.5958  ?   ?    13.601   3.0617 0.000000 3.061685 
1 1 1    3   43   30 o   10.230   2.6186   13.600   6.3524   0.0000   0.0000   13.600   6.3524  ?   ?    10.230   2.6186 0.000000 2.618637 
1 1 1    3   43   31 o   33.398   3.7343  152.400   28.946   0.0000   0.0000  152.400   28.946  ?   ?    33.398   3.7343 0.000000 3.734315 
1 1 1    3   43   32 o   14.492   2.7440   27.800   9.0466   0.0000   0.0000   27.800   9.0466  ?   ?    14.492   2.7440 0.000000 2.744002 
1 1 1    3   43   33 o   12.517   2.9313   21.400   8.5118   0.0000   0.0000   21.400   8.5118  ?   ?    12.517   2.9313 0.000000 2.931259 
1 1 1    3   43   34 o   13.017   2.7715   23.000   8.2577   0.0000   0.0000   23.000   8.2577  ?   ?    13.017   2.7715 0.000000 2.771483 
1 1 1    3   43   35 o   4.6204   2.1346  -3.5000   5.4598   0.0000   0.0000  -3.5000   5.4598  ?   ?    4.6204   2.1346 0.000000 2.134569 
1 1 1    3   43   36 o   20.780   3.1313   60.100   14.888   0.0000   0.0000   60.100   14.888  ?   ?    20.780   3.1313 0.000000 3.131263 
1 1 1    3   43   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   44    0 o   70.767   6.0639  631.600   99.620  631.600   99.620  631.600   99.620   70.767   6.0639   70.767   6.0639 -0.000000 0.000000 
1 1 1    3   44    1 o   25.063   1.9872   75.383   11.664   86.200   16.547   64.700   16.445   26.649   2.6653   22.927   3.1184 3.722416 4.102268 
1 1 1    3   44    2 o   36.688   2.4367  162.055   20.990  142.500   29.651  181.700   29.718   33.935   3.7636   38.558   3.2957 -4.622902 5.002578 
1 1 1    3   44    3 o   38.268   2.4534  176.309   22.054  150.800   31.073  202.200   31.305   34.888   3.8351   40.691   3.2860 -5.802883 5.050294 
1 1 1    3   44    4 o   27.601   2.0929   91.484   13.539   84.600   19.125   98.400   19.169   26.257   3.1474   28.420   2.8968 -2.163769 4.277580 
1 1 1    3   44    5 o   44.631   2.7959  240.903   29.317  258.000   41.518  223.900   41.403   45.701   3.8840   42.399   4.1902 3.301254 5.713423 
1 1 1    3   44    6 o   55.432   3.3380  374.800   43.489  374.900   61.484  374.700   61.521   54.506   4.8269   54.488   4.8316 0.1796722E-01 6.829639 
1 1 1    3   44    7 o   20.258   1.8686   49.316   8.8377   44.500   12.333   54.400   12.671   19.013   2.8336   21.122   2.5949 -2.109543 3.842280 
1 1 1    3   44    8 o   38.422   2.4854  178.019   22.428  209.300   31.785  147.000   31.652   41.364   3.2811   34.332   3.9780 7.032383 5.156590 
1 1 1    3   44    9 o   36.358   2.4235  159.391   20.687  143.000   29.204  175.900   29.308   33.958   3.7020   37.871   3.3106 -3.913208 4.966351 
1 1 1    3   44   10 o   7.8771   1.9577   7.7000   3.6255   11.300   5.1272   4.1000   5.1272   9.5205   2.3052   6.6219   2.4595 2.898558 3.370977 
1 1 1    3   44   11 o   12.028   1.8317   17.643   5.0383   20.800   7.4638   15.000   6.8290   12.930   2.5351   10.937   2.6680 1.993453 3.680358 
1 1 1    3   44   12 o   34.038   2.3072  139.766   18.435  130.000   25.960  149.700   26.183   32.401   3.4459   34.893   3.2139 -2.492374 4.712018 
1 1 1    3   44   13 f   23.444   1.9574   66.164   10.737   68.000   15.336   64.400   15.036   23.534   2.8156   22.885   2.8437 0.6483669 4.001796 
1 1 1    3   44   14 o   31.598   2.2313  120.522   16.542  133.200   23.420  107.900   23.368   32.925   3.0468   29.453   3.4238 3.472116 4.583103 
1 1 1    3   44   15 o   31.123   2.2438  117.068   16.380  106.500   23.184  127.600   23.145   29.231   3.4236   32.179   3.0836 -2.947842 4.607553 
1 1 1    3   44   16 o   47.012   4.3411  281.700   47.647   0.0000   0.0000  281.700   47.647  ?   ?    47.012   4.3411 0.000000 4.341080 
1 1 1    3   44   17 o   37.492   3.6610  176.300   31.999   0.0000   0.0000  176.300   31.999  ?   ?    37.492   3.6610 0.000000 3.661047 
1 1 1    3   44   18 o   40.822   3.9038  211.300   37.172   0.0000   0.0000  211.300   37.172  ?   ?    40.822   3.9038 0.000000 3.903765 
1 1 1    3   44   19 o   9.4392   2.8864   11.000   7.0310   0.0000   0.0000   11.000   7.0310  ?   ?    9.4392   2.8864 0.000000 2.886397 
1 1 1    3   44   20 o   35.918   3.6560  163.400   30.577   0.0000   0.0000  163.400   30.577  ?   ?    35.918   3.6560 0.000000 3.656002 
1 1 1    3   44   21 o   37.120   3.6861  175.000   31.883   0.0000   0.0000  175.000   31.883  ?   ?    37.120   3.6861 0.000000 3.686131 
1 1 1    3   44   22 o   48.405   4.6514  309.000   52.511   0.0000   0.0000  309.000   52.511  ?   ?    48.405   4.6514 0.000000 4.651422 
1 1 1    3   44   23 o   42.896   4.1839  238.700   41.840   0.0000   0.0000  238.700   41.840  ?   ?    42.896   4.1839 0.000000 4.183941 
1 1 1    3   44   24 o   8.3974   2.5605   8.7000   5.5381   0.0000   0.0000   8.7000   5.5381  ?   ?    8.3974   2.5605 0.000000 2.560486 
1 1 1    3   44   25 o   19.485   2.9511   48.000   13.154   0.0000   0.0000   48.000   13.154  ?   ?    19.485   2.9511 0.000000 2.951146 
1 1 1    3   44   26 o   20.266   2.9160   52.000   13.553   0.0000   0.0000   52.000   13.553  ?   ?    20.266   2.9160 0.000000 2.916020 
1 1 1    3   44   27 o   22.513   2.8925   64.300   15.021   0.0000   0.0000   64.300   15.021  ?   ?    22.513   2.8925 0.000000 2.892525 
1 1 1    3   44   28 o   8.2145   2.4786   8.5000   5.2096   0.0000   0.0000   8.5000   5.2096  ?   ?    8.2145   2.4786 0.000000 2.478643 
1 1 1    3   44   29 o  ?   ?  -12.4000   2.2855   0.0000   0.0000 -12.4000   2.2855  ?   ?   ?   ?  0.000000      ? 
1 1 1    3   44   30 o   11.418   3.0049   17.600   8.2120   0.0000   0.0000   17.600   8.2120  ?   ?    11.418   3.0049 0.000000 3.004938 
1 1 1    3   44   31 f   21.016   3.1497   59.700   15.150   0.0000   0.0000   59.700   15.150  ?   ?    21.016   3.1497 0.000000 3.149718 
1 1 1    3   44   32 o   34.934   4.1619  180.500   33.656   0.0000   0.0000  180.500   33.656  ?   ?    34.934   4.1619 0.000000 4.161943 
1 1 1    3   44   33 o   25.567   3.3789   91.600   19.899   0.0000   0.0000   91.600   19.899  ?   ?    25.567   3.3789 0.000000 3.378864 
1 1 1    3   44   34 o   4.5784   2.1053  -3.1000   5.2239   0.0000   0.0000  -3.1000   5.2239  ?   ?    4.5784   2.1053 0.000000 2.105304 
1 1 1    3   44   35 o   20.952   3.2389   61.900   15.508   0.0000   0.0000   61.900   15.508  ?   ?    20.952   3.2389 0.000000 3.238928 
1 1 1    3   45    0 o   15.509   2.8545   31.400   9.4099   31.400   9.4099   31.400   9.4099   15.509   2.8545   15.509   2.8545 0.000000 0.000000 
1 1 1    3   45    1 o   17.456   1.6576   36.588   6.7507   55.700   9.7371   18.900   9.3673   21.517   1.9372   12.244   3.2031 9.272412 3.743339 
1 1 1    3   45    2 o   33.851   2.3493  138.143   18.663  160.800   26.368  115.400   26.418   36.264   3.1092   30.430   3.7562 5.833601 4.876115 
1 1 1    3   45    3 o   16.341   1.7741   32.189   6.7358   23.200   9.4684   41.400   9.5843   13.577   3.0302   18.456   2.2454 -4.879641 3.771478 
1 1 1    3   45    4 o   4.0379   1.6308   0.8374   2.4028  -6.6000   3.2586   9.7000   3.5572   2.8610   1.4043   8.8698   1.7605 -6.008846 2.251936 
1 1 1    3   45    5 o   34.166   2.3426  140.796   18.786  128.200   26.510  153.500   26.624   32.156   3.5505   35.358   3.2243 -3.201920 4.796006 
1 1 1    3   45    6 o   70.158   4.1550  614.596   68.528  683.200   96.916  546.000   96.911   72.260   5.7267   63.636   6.5424 8.624565 8.694744 
1 1 1    3   45    7 o   8.9567   1.9905   9.9615   4.1008   10.800   5.6109   9.0000   6.0083   9.3118   2.4994   8.6361   2.6728 0.6756735 3.659358 
1 1 1    3   45    8 o   22.168   1.9324   59.156   10.014   55.700   14.175   62.600   14.149   21.250   2.9007   22.608   2.7039 -1.358099 3.965499 
1 1 1    3   45    9 o   10.658   2.0793   14.061   5.0452   12.700   6.2526   16.600   8.5414   10.069   2.6086   11.476   3.0852 -1.406916 4.040218 
1 1 1    3   45   10 o   40.675   2.6214  200.803   25.044  211.800   35.495  189.900   35.341   41.245   3.6832   38.919   3.8979 2.325630 5.362761 
1 1 1    3   45   11 o   14.488   1.8300   25.465   6.1208   23.700   8.8258   27.100   8.4960   13.737   2.8154   14.788   2.5236 -1.050550 3.780867 
1 1 1    3   45   12 o   37.647   2.5120  171.977   22.203  175.700   31.719  168.400   31.089   37.520   3.6253   36.721   3.6329 0.7981262 5.132375 
1 1 1    3   45   13 o   39.134   2.3930  185.429   22.007  129.700   30.730  244.100   31.531   31.876   4.1836   44.610   3.0109 -12.73352 5.154458 
1 1 1    3   45   14 o   13.559   2.1986   22.658   6.7983   30.600   9.7689   15.200   9.4667   15.655   2.7425   11.036   3.3438 4.619421 4.324652 
1 1 1    3   45   15 o   42.903   2.7861  225.394   28.073  206.000   39.644  244.900   39.758   40.073   4.2546   44.021   3.8638 -3.947830 5.747230 
1 1 1    3   45   16 o   26.760   1.9955   86.498   12.519   66.400   17.413  108.000   18.011   22.963   3.3067   29.700   2.5942 -6.737057 4.202912 
1 1 1    3   45   17 o   11.451   1.9821   16.191   5.1657   15.600   6.6353   17.100   8.2307   11.112   2.5785   11.582   2.9893 -0.4697657 3.947740 
1 1 1    3   45   18 o   52.093   4.8892  359.200   59.439   0.0000   0.0000  359.200   59.439  ?   ?    52.093   4.8892 0.000000 4.889174 
1 1 1    3   45   19 o   13.318   2.9227   22.600   8.9394   0.0000   0.0000   22.600   8.9394  ?   ?    13.318   2.9227 0.000000 2.922720 
1 1 1    3   45   20 o   12.569   2.8144   20.100   8.1454   0.0000   0.0000   20.100   8.1454  ?   ?    12.569   2.8144 0.000000 2.814421 
1 1 1    3   45   21 o   19.226   2.8896   46.400   12.713   0.0000   0.0000   46.400   12.713  ?   ?    19.226   2.8896 0.000000 2.889573 
1 1 1    3   45   22 o   32.322   3.3938  132.300   25.516   0.0000   0.0000  132.300   25.516  ?   ?    32.322   3.3938 0.000000 3.393778 
1 1 1    3   45   23 o   24.392   3.1274   75.200   17.598   0.0000   0.0000   75.200   17.598  ?   ?    24.392   3.1274 0.000000 3.127359 
1 1 1    3   45   24 o   29.216   3.3839  109.200   22.913   0.0000   0.0000  109.200   22.913  ?   ?    29.216   3.3839 0.000000 3.383934 
1 1 1    3   45   25 o   22.248   2.9505   62.900   15.118   0.0000   0.0000   62.900   15.118  ?   ?    22.248   2.9505 0.000000 2.950470 
1 1 1    3   45   26 o   22.754   3.0991   66.800   16.218   0.0000   0.0000   66.800   16.218  ?   ?    22.754   3.0991 0.000000 3.099073 
1 1 1    3   45   27 o   6.9224   2.6528   4.5000   6.0706   0.0000   0.0000   4.5000   6.0706  ?   ?    6.9224   2.6528 0.000000 2.652825 
1 1 1    3   45   28 o   23.565   3.0608   73.000   16.630   0.0000   0.0000   73.000   16.630  ?   ?    23.565   3.0608 0.000000 3.060790 
1 1 1    3   45   29 o   21.363   2.9399   60.400   14.438   0.0000   0.0000   60.400   14.438  ?   ?    21.363   2.9399 0.000000 2.939925 
1 1 1    3   45   30 o   5.8132   2.2017   3.3000   4.1510   0.0000   0.0000   3.3000   4.1510  ?   ?    5.8132   2.2017 0.000000 2.201737 
1 1 1    3   45   31 o   6.0928   2.4174   3.1000   5.1848   0.0000   0.0000   3.1000   5.1848  ?   ?    6.0928   2.4174 0.000000 2.417437 
1 1 1    3   45   32 o   13.248   2.7900   23.900   8.4527   0.0000   0.0000   23.900   8.4527  ?   ?    13.248   2.7900 0.000000 2.790043 
1 1 1    3   45   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   45   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46    0 o   1.9683   1.3626  -1.8000   2.1716  -1.8000   2.1716  -1.8000   2.1716   1.9683   1.3626   1.9683   1.3626 0.000000 0.000000 
1 1 1    3   46    1 o   23.543   1.9582   66.751   10.788   58.800   15.074   75.100   15.446   21.791   3.0097   24.779   2.6826 -2.988161 4.031663 
1 1 1    3   46    2 o   30.604   2.1152  112.816   15.192   89.400   21.335  136.900   21.638   26.773   3.4555   33.505   2.7594 -6.732382 4.422053 
1 1 1    3   46    3 o   23.564   2.2111   67.236   12.159  104.700   16.948   27.500   17.454   29.370   2.4666   14.675   4.5579 14.69439 5.182487 
1 1 1    3   46    4 o   24.485   2.0174   72.266   11.560   65.100   16.147   79.800   16.557   22.924   3.0594   25.508   2.7946 -2.584766 4.143604 
1 1 1    3   46    5 o   44.377   2.8062  239.919   29.255  268.900   41.614  211.600   41.136   46.388   3.8334   40.803   4.3358 5.584099 5.787366 
1 1 1    3   46    6 o   39.720   2.5424  191.354   23.721  239.700   33.794  144.400   33.304   44.105   3.2680   33.653   4.2883 10.45168 5.391626 
1 1 1    3   46    7 o   13.113   1.9565   21.018   5.8729   13.900   7.4625   32.600   9.5190   10.523   2.9069   16.237   2.5681 -5.713930 3.878772 
1 1 1    3   46    8 o   22.647   2.0978   62.053   11.092   74.600   15.365   48.400   16.028   24.673   2.6802   19.505   3.6130 5.168634 4.498642 
1 1 1    3   46    9 o   14.504   1.8073   25.522   6.0555   36.000   8.7055   15.700   8.4287   17.171   2.1974   11.155   3.0924 6.016673 3.793623 
1 1 1    3   46   10 o   21.449   2.8686   57.000   14.165   0.0000   0.0000   57.000   14.165  ?   ?    21.449   2.8686 0.000000 2.868645 
1 1 1    3   46   11 o   17.439   2.7890   37.900   11.098   0.0000   0.0000   37.900   11.098  ?   ?    17.439   2.7890 0.000000 2.788952 
1 1 1    3   46   12 o   42.714   4.1078  232.700   40.921   0.0000   0.0000  232.700   40.921  ?   ?    42.714   4.1078 0.000000 4.107772 
1 1 1    3   46   13 o   44.924   4.2891  259.400   44.947   0.0000   0.0000  259.400   44.947  ?   ?    44.924   4.2891 0.000000 4.289084 
1 1 1    3   46   14 o   18.288   2.7768   41.700   11.614   0.0000   0.0000   41.700   11.614  ?   ?    18.288   2.7768 0.000000 2.776752 
1 1 1    3   46   15 o   15.262   2.7002   29.200   9.3752   0.0000   0.0000   29.200   9.3752  ?   ?    15.262   2.7002 0.000000 2.700207 
1 1 1    3   46   16 o   16.415   2.7811   33.800   10.395   0.0000   0.0000   33.800   10.395  ?   ?    16.415   2.7811 0.000000 2.781061 
1 1 1    3   46   17 o   29.482   3.2540  109.000   22.276   0.0000   0.0000  109.000   22.276  ?   ?    29.482   3.2540 0.000000 3.254011 
1 1 1    3   46   18 f   7.5245   2.6720   6.1000   5.9594   0.0000   0.0000   6.1000   5.9594  ?   ?    7.5245   2.6720 0.000000 2.672015 
1 1 1    3   46   19 o   33.132   3.4867  139.100   26.869   0.0000   0.0000  139.100   26.869  ?   ?    33.132   3.4867 0.000000 3.486702 
1 1 1    3   46   20 o   7.5813   2.7514   6.0000   6.3568   0.0000   0.0000   6.0000   6.3568  ?   ?    7.5813   2.7514 0.000000 2.751357 
1 1 1    3   46   21 o   12.747   2.7251   20.700   7.9541   0.0000   0.0000   20.700   7.9541  ?   ?    12.747   2.7251 0.000000 2.725062 
1 1 1    3   46   22 o   8.2171   2.8630   7.7000   6.8184   0.0000   0.0000   7.7000   6.8184  ?   ?    8.2171   2.8630 0.000000 2.863002 
1 1 1    3   46   23 o   23.592   3.0052   70.800   16.362   0.0000   0.0000   70.800   16.362  ?   ?    23.592   3.0052 0.000000 3.005171 
1 1 1    3   46   24 o   12.747   2.8922   21.200   8.5057   0.0000   0.0000   21.200   8.5057  ?   ?    12.747   2.8922 0.000000 2.892186 
1 1 1    3   46   25 o   17.771   2.9422   41.100   11.915   0.0000   0.0000   41.100   11.915  ?   ?    17.771   2.9422 0.000000 2.942232 
1 1 1    3   46   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   46   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47    9 o   23.605   2.9725   69.300   16.201   0.0000   0.0000   69.300   16.201  ?   ?    23.605   2.9725 0.000000 2.972523 
1 1 1    3   47   10 o   26.043   3.0767   84.500   18.555   0.0000   0.0000   84.500   18.555  ?   ?    26.043   3.0767 0.000000 3.076702 
1 1 1    3   47   11 o   25.169   3.1382   79.200   18.246   0.0000   0.0000   79.200   18.246  ?   ?    25.169   3.1382 0.000000 3.138190 
1 1 1    3   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   47   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   49   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   50   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   51   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   52   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   53   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    3   54   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0    0 o  101.311   7.9775  1235.30  188.125  1235.30  188.125  1235.30  188.125  101.311   7.9775  101.311   7.9775 0.000000 0.000000 
1 1 1    4    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0    2 o  199.729   15.467  4827.00  719.415  4827.00  719.415  4827.00  719.415  199.729   15.467  199.729   15.467 -0.000000 0.000000 
1 1 1    4    0    3 o   12.638   1.5930   19.741   4.5487   19.741   4.5487   19.741   4.5487   12.638   1.5930   12.638   1.5930 -0.000000 0.000000 
1 1 1    4    0    4 o   42.925   2.6897  220.152   27.017  220.152   27.017  220.152   27.017   42.925   2.6897   42.925   2.6897 -0.000000 0.000000 
1 1 1    4    0    5 o  231.835   17.996  6540.60  971.530  6540.60  971.530  6540.60  971.530  231.835   17.996  231.835   17.996 0.000000 0.000000 
1 1 1    4    0    6 o  207.490   16.083  5235.60  777.115  5235.60  777.115  5235.60  777.115  207.490   16.083  207.490   16.083 0.000000 0.000000 
1 1 1    4    0    7 o  170.932   13.263  3542.20  527.932  3542.20  527.932  3542.20  527.932  170.932   13.263  170.932   13.263 -0.000000 0.000000 
1 1 1    4    0    8 o  205.487   15.936  5136.20  762.582  5136.20  762.582  5136.20  762.582  205.487   15.936  205.487   15.936 0.000000 0.000000 
1 1 1    4    0    9 o  129.982   6.9631  2016.01  212.321  2016.01  212.321  2016.01  212.321  129.982   6.9631  129.982   6.9631 0.000000 0.000000 
1 1 1    4    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   11 o  259.376   20.001  8165.00  1208.30  8165.00  1208.30  8165.00  1208.30  259.376   20.001  259.376   20.001 -0.000000 0.000000 
1 1 1    4    0   12 o  152.962   11.836  2820.30  421.641  2820.30  421.641  2820.30  421.641  152.962   11.836  152.962   11.836 -0.000000 0.000000 
1 1 1    4    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   14 o   67.237   3.8392  539.147   60.500  539.147   60.500  539.147   60.500   67.237   3.8392   67.237   3.8392 0.000000 0.000000 
1 1 1    4    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   16 o  280.644   21.673  9579.10  1416.54  9579.10  1416.54  9579.10  1416.54  280.644   21.673  280.644   21.673 0.000000 0.000000 
1 1 1    4    0   17 o  281.717   21.793  9668.40  1429.79  9668.40  1429.79  9668.40  1429.79  281.717   21.793  281.717   21.793 0.000000 0.000000 
1 1 1    4    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   19 o  258.642   13.747  8028.25  834.197  8028.25  834.197  8028.25  834.197  258.642   13.747  258.642   13.747 0.000000 0.000000 
1 1 1    4    0   20 o   66.358   3.7834  525.325   58.844  525.325   58.844  525.325   58.844   66.358   3.7834   66.358   3.7834 0.000000 0.000000 
1 1 1    4    0   21 o   57.429   3.3647  393.651   45.270  393.651   45.270  393.651   45.270   57.429   3.3647   57.429   3.3647 -0.000000 0.000000 
1 1 1    4    0   22 o  313.435   16.902 11920.22  1242.63 11920.22  1242.63 11920.22  1242.63  313.435   16.902  313.435   16.902 0.000000 0.000000 
1 1 1    4    0   23 o  116.420   6.2004  1618.27  169.350  1618.27  169.350  1618.27  169.350  116.420   6.2004  116.420   6.2004 0.000000 0.000000 
1 1 1    4    0   24 o  188.630   10.051  4270.63  444.772  4270.63  444.772  4270.63  444.772  188.630   10.051  188.630   10.051 0.000000 0.000000 
1 1 1    4    0   25 o  110.519   5.5772  1456.95  144.704  1456.95  144.704  1456.95  144.704  110.519   5.5772  110.519   5.5772 0.000000 0.000000 
1 1 1    4    0   26 o  210.167   11.190  5318.15  551.728  5318.15  551.728  5318.15  551.728  210.167   11.190  210.167   11.190 0.000000 0.000000 
1 1 1    4    0   27 o   4.1794   1.8251   2.9560   1.8731   2.9560   1.8731   2.9560   1.8731   4.1794   1.8251   4.1794   1.8251 -0.000000 0.000000 
1 1 1    4    0   28 o  244.581   13.174  7251.80  755.799  7251.80  755.799  7251.80  755.799  244.581   13.174  244.581   13.174 0.000000 0.000000 
1 1 1    4    0   29 o  127.114   6.6745  1933.16  199.081  1933.16  199.081  1933.16  199.081  127.114   6.6745  127.114   6.6745 0.000000 0.000000 
1 1 1    4    0   30 o   58.821   3.4137  413.254   47.051  413.254   47.051  413.254   47.051   58.821   3.4137   58.821   3.4137 -0.000000 0.000000 
1 1 1    4    0   31 o   99.870   5.4402  1193.62  127.426  1193.62  127.426  1193.62  127.426   99.870   5.4402   99.870   5.4402 -0.000000 0.000000 
1 1 1    4    0   32 o   15.030   1.7593   27.766   6.0204   27.766   6.0204   27.766   6.0204   15.030   1.7593   15.030   1.7593 0.000000 0.000000 
1 1 1    4    0   33 o   14.608   1.7162   26.237   5.7059   26.237   5.7059   26.237   5.7059   14.608   1.7162   14.608   1.7162 -0.000000 0.000000 
1 1 1    4    0   34 o   60.081   3.5349  432.246   49.753  432.246   49.753  432.246   49.753   60.081   3.5349   60.081   3.5349 -0.000000 0.000000 
1 1 1    4    0   35 o   81.641   4.5717  800.550   87.503  800.550   87.503  800.550   87.503   81.641   4.5717   81.641   4.5717 0.000000 0.000000 
1 1 1    4    0   36 o   71.502   4.1240  614.282   69.101  614.282   69.101  614.282   69.101   71.502   4.1240   71.502   4.1240 -0.000000 0.000000 
1 1 1    4    0   37 o   24.732   1.9800   73.746   11.393   73.746   11.393   73.746   11.393   24.732   1.9800   24.732   1.9800 0.000000 0.000000 
1 1 1    4    0   38 o   42.494   2.7112  216.729   26.952  216.729   26.952  216.729   26.952   42.494   2.7112   42.494   2.7112 0.000000 0.000000 
1 1 1    4    0   39 o   10.388   1.7257   13.770   3.8817   13.770   3.8817   13.770   3.8817   10.388   1.7257   10.388   1.7257 0.000000 0.000000 
1 1 1    4    0   40 o   75.111   4.3046  682.173   75.774  682.173   75.774  682.173   75.774   75.111   4.3046   75.111   4.3046 -0.000000 0.000000 
1 1 1    4    0   41 o   58.778   3.3506  416.016   46.159  416.016   46.159  416.016   46.159   58.778   3.3506   58.778   3.3506 -0.000000 0.000000 
1 1 1    4    0   42 o   36.162   2.3559  157.316   19.921  157.316   19.921  157.316   19.921   36.162   2.3559   36.162   2.3559 -0.000000 0.000000 
1 1 1    4    0   43 o   10.849   1.8518   15.111   4.3292   15.111   4.3292   15.111   4.3292   10.849   1.8518   10.849   1.8518 -0.000000 0.000000 
1 1 1    4    0   44 o   15.593   1.7267   29.879   6.1583   29.879   6.1583   29.879   6.1583   15.593   1.7267   15.593   1.7267 -0.000000 0.000000 
1 1 1    4    0   45 o   4.9083   2.2314   4.1606   2.7996   4.1606   2.7996   4.1606   2.7996   4.9083   2.2314   4.9083   2.2314 0.000000 0.000000 
1 1 1    4    0   46 o   15.695   1.6404   30.176   5.9275   30.176   5.9275   30.176   5.9275   15.695   1.6404   15.695   1.6404 -0.000000 0.000000 
1 1 1    4    0   47 o   18.444   1.6178   41.306   6.9213   41.306   6.9213   41.306   6.9213   18.444   1.6178   18.444   1.6178 -0.000000 0.000000 
1 1 1    4    0   48 f   34.362   2.3432  143.137   18.810  143.137   18.810  143.137   18.810   34.362   2.3432   34.362   2.3432 0.000000 0.000000 
1 1 1    4    0   49 o   6.2684   2.5273   6.5239   3.6486   6.5239   3.6486   6.5239   3.6486   6.2684   2.5273   6.2684   2.5273 -0.000000 0.000000 
1 1 1    4    0   50 o   6.9761   2.4668   7.6518   3.6946   7.6518   3.6946   7.6518   3.6946   6.9761   2.4668   6.9761   2.4668 0.000000 0.000000 
1 1 1    4    0   51 f   33.763   3.5630  145.400   27.683  145.400   27.683  145.400   27.683   33.763   3.5630   33.763   3.5630 -0.000000 0.000000 
1 1 1    4    0   52 o   23.731   3.1168   72.400   16.630   72.400   16.630   72.400   16.630   23.731   3.1168   23.731   3.1168 -0.000000 0.000000 
1 1 1    4    0   53 o   27.194   3.2439   95.000   20.048   95.000   20.048   95.000   20.048   27.194   3.2439   27.194   3.2439 0.000000 0.000000 
1 1 1    4    0   54 o  ?   ?  -12.6000   1.6648 -12.6000   1.6648 -12.6000   1.6648  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    4    0   55 o   17.976   3.2115   43.900   12.336   43.900   12.336   43.900   12.336   17.976   3.2115   17.976   3.2115 0.000000 0.000000 
1 1 1    4    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    0   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1    4 o   42.382   2.6079  212.989   25.974  228.800   36.745  197.200   36.719   43.855   3.5795   40.663   3.8709 3.192513 5.272222 
1 1 1    4    1    5 o  233.511   18.045  6646.40  987.299  6646.40  987.299   0.0000   0.0000  233.511   18.045  ?   ?  0.000000 18.04520 
1 1 1    4    1    6 o  218.163   16.817  5804.30  859.651  5804.30  859.651   0.0000   0.0000  218.163   16.817  ?   ?  0.000000 16.81676 
1 1 1    4    1    7 o  191.542   14.730  4454.00  661.139  4454.00  661.139   0.0000   0.0000  191.542   14.730  ?   ?  0.000000 14.73016 
1 1 1    4    1    8 o  119.323   9.1890  1704.90  256.921  1704.90  256.921   0.0000   0.0000  119.323   9.1890  ?   ?  0.000000 9.188997 
1 1 1    4    1    9 o  168.077   12.854  3400.80  506.297  3400.80  506.297   0.0000   0.0000  168.077   12.854  ?   ?  0.000000 12.85402 
1 1 1    4    1   10 o  121.341   6.7178  1748.82  191.735  1877.70  270.822  1619.30  271.487  125.429   9.2081  116.312   9.9813 9.117111 13.57997 
1 1 1    4    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   12 o  203.084   15.420  4948.90  733.953  4948.90  733.953   0.0000   0.0000  203.084   15.420  ?   ?  0.000000 15.42005 
1 1 1    4    1   13 o  150.216   8.1844  2680.01  289.217  2805.30  408.435  2554.00  409.597  153.288   11.365  146.130   11.975 7.157867 16.50948 
1 1 1    4    1   14 o  144.305   7.9140  2473.19  268.646  2635.80  379.465  2309.80  380.382  148.610   10.889  138.941   11.703 9.668930 15.98525 
1 1 1    4    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   16 o  335.707   26.036 13866.90  2047.83 13866.90  2047.83   0.0000   0.0000  335.707   26.036  ?   ?  0.000000 26.03641 
1 1 1    4    1   17 o  324.124   25.183 12949.10  1912.28 12949.10  1912.28   0.0000   0.0000  324.124   25.183  ?   ?  0.000000 25.18266 
1 1 1    4    1   18 o  311.358   17.177 11724.51  1258.03 12341.20  1776.67 11104.40  1781.59  315.965   23.992  298.764   25.497 17.20013 35.01019 
1 1 1    4    1   19 o  243.152   12.974  7101.08  742.250  7438.80  1049.73  6763.40  1049.67  246.923   18.130  234.977   19.082 11.94511 26.32183 
1 1 1    4    1   20 o  276.434   15.080  9255.96  980.634  9487.70  1384.72  9022.80  1388.94  276.419   21.381  269.111   22.051 7.308319 30.71424 
1 1 1    4    1   21 o  309.447   16.792 11716.35  1222.42 12514.30  1728.77 10918.40  1728.76  314.732   23.429  292.314   25.294 22.41788 34.47797 
1 1 1    4    1   22 o   86.947   4.7752  897.998   97.665  889.300  138.102  906.700  138.137   86.251   6.8367   87.106   6.7690 -0.8548965 9.620805 
1 1 1    4    1   23 o   58.885   3.3962  411.450   47.023  411.400   66.484  411.500   66.517   58.731   4.8369   58.738   4.8387 -0.6942749E-02 6.841701 
1 1 1    4    1   24 o   86.108   4.7042  881.172   95.290  845.900  134.707  916.500  134.812   84.052   6.8466   87.557   6.5683 -3.505760 9.487765 
1 1 1    4    1   25 o  164.412   8.8116  3243.32  340.852  3189.50  481.916  3297.20  482.159  161.649   12.728  164.460   12.509 -2.811920 17.84626 
1 1 1    4    1   26 o  209.851   10.973  5327.25  541.867  4790.00  765.923  5865.60  766.708  195.875   16.719  218.010   14.984 -22.13496 22.45153 
1 1 1    4    1   27 o   21.383   1.8662   54.430   9.3282   48.300   13.225   60.500   13.159   20.005   2.8828   22.482   2.5223 -2.477070 3.830445 
1 1 1    4    1   28 o   96.402   5.2733  1106.95  119.587  1065.40  169.126  1148.50  169.117   94.106   7.6777   97.798   7.3774 -3.691513 10.64772 
1 1 1    4    1   29 o  209.288   10.833  5324.78  533.520  4624.00  754.018  6027.40  755.005  191.105   16.883  220.167   14.605 -29.06169 22.32335 
1 1 1    4    1   30 f   38.226   2.3337  173.422   20.964  138.800   29.614  208.200   29.681   34.019   3.7488   41.833   3.0251 -7.814125 4.817118 
1 1 1    4    1   31 o   74.798   3.9653  665.758   69.787  572.800   98.593  759.100   98.796   68.974   6.1168   79.653   5.2826 -10.67926 8.082145 
1 1 1    4    1   32 o   26.426   1.9803   83.043   12.267   70.900   17.344   95.200   17.354   24.264   3.0977   28.234   2.6333 -3.970861 4.065736 
1 1 1    4    1   33 o   73.002   4.0035  636.159   68.751  579.300   97.109  693.300   97.350   69.175   6.0046   75.871   5.4704 -6.696648 8.122801 
1 1 1    4    1   34 f   59.846   3.3961  427.280   47.796  396.500   67.516  458.200   67.670   57.282   5.0429   61.702   4.6793 -4.419743 6.879412 
1 1 1    4    1   35 o   33.765   2.2795  135.752   18.068  141.200   25.548  130.300   25.557   34.303   3.1905   32.916   3.3341 1.387691 4.614682 
1 1 1    4    1   36 o   35.665   2.3583  151.600   19.749  156.000   27.929  147.200   27.929   36.018   3.3212   34.958   3.4274 1.060146 4.772588 
1 1 1    4    1   37 o   48.539   2.9483  281.761   33.632  287.000   47.513  276.500   47.614   48.682   4.1735   47.750   4.2677 0.9319305 5.969212 
1 1 1    4    1   38 o   37.435   2.4542  167.364   21.574  183.300   30.496  151.400   30.524   39.000   3.3438   35.329   3.7145 3.670502 4.997837 
1 1 1    4    1   39 o   48.639   2.9226  283.558   33.412  305.200   47.298  262.000   47.206   50.138   4.0289   46.318   4.3676 3.820602 5.942080 
1 1 1    4    1   40 o   41.488   2.5768  206.105   25.119  232.000   35.555  180.300   35.493   43.787   3.4670   38.416   3.9699 5.371204 5.270690 
1 1 1    4    1   41 o   61.975   3.6212  465.894   52.763  458.900   74.585  472.900   74.652   60.624   5.2623   61.598   5.1804 -0.9743805 7.384312 
1 1 1    4    1   42 o   52.414   3.1614  332.905   38.945  342.500   55.063  323.300   55.091   52.499   4.4847   50.913   4.6330 1.586246 6.448104 
1 1 1    4    1   43 o   32.753   2.2270  129.004   17.121  139.800   24.265  118.300   24.162   33.833   3.0707   31.000   3.3542 2.833126 4.547471 
1 1 1    4    1   44 o   4.5488   1.5647   2.2391   2.0335  -0.5000   3.0621   4.4000   2.7198   4.0028   1.7396   6.0295   1.7846 -2.026669 2.492157 
1 1 1    4    1   45 o   18.732   1.6985   42.210   7.4315   50.300   10.603   34.400   10.419   20.332   2.2460   16.634   2.7486 3.698469 3.549495 
1 1 1    4    1   46 o   28.824   2.0303  100.199   13.731  114.100   19.526   86.600   19.312   30.514   2.7390   26.388   3.1623 4.126423 4.183576 
1 1 1    4    1   47 o   23.736   1.7856   67.804   9.9348   85.000   14.175   51.200   13.928   26.439   2.2931   20.239   3.0057 6.200687 3.780597 
1 1 1    4    1   48 o   10.704   1.7288   14.054   4.2208   12.100   6.0555   15.900   5.8863   9.7922   2.5820   11.272   2.2896 -1.479576 3.450958 
1 1 1    4    1   49 o   6.7320   1.7228   5.6469   2.7500   5.7000   4.0137   5.6000   3.7755   6.9004   2.1917   6.8108   2.1205 0.8958006E-01 3.049664 
1 1 1    4    1   50 o   1.9866   0.9305  -1.1147   1.0954   0.4000   1.9626  -1.8000   1.3202   3.5044   1.4512   2.0395   0.9746 1.464936 1.748051 
1 1 1    4    1   51 o   29.340   3.2257  110.900   21.980  110.900   21.980   0.0000   0.0000   29.340   3.2257  ?   ?  0.000000 3.225686 
1 1 1    4    1   52 o   36.419   3.7898  177.300   32.114  177.300   32.114   0.0000   0.0000   36.419   3.7898  ?   ?  0.000000 3.789842 
1 1 1    4    1   53 o   12.129   2.6131   19.100   7.2632   19.100   7.2632   0.0000   0.0000   12.129   2.6131  ?   ?  0.000000 2.613114 
1 1 1    4    1   54 o   7.2932   2.4062   6.5000   4.8106   6.5000   4.8106   0.0000   0.0000   7.2932   2.4062  ?   ?  0.000000 2.406186 
1 1 1    4    1   55 o   21.393   2.9288   61.300   14.407   61.300   14.407   0.0000   0.0000   21.393   2.9288  ?   ?  0.000000 2.928758 
1 1 1    4    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2    0 o  227.797   17.623  6292.00  934.907  6292.00  934.907  6292.00  934.907  227.797   17.623  227.797   17.623 -0.000000 0.000000 
1 1 1    4    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2    2 o   30.734   2.1365  112.096   15.409  109.400   21.776  114.800   21.807   30.273   3.0895   31.027   3.0144 -0.7535038 4.316474 
1 1 1    4    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2    4 o  166.978   8.8052  3320.29  345.958  3246.70  488.080  3394.60  490.447  164.360   12.674  168.135   12.441 -3.775452 17.75962 
1 1 1    4    2    5 o  350.205   28.056 15549.40  2300.60 15549.40  2300.60   0.0000   0.0000  350.205   28.056  ?   ?  0.000000 28.05558 
1 1 1    4    2    6 o  219.448   11.845  5780.55  611.521  6274.30  864.515  5286.10  865.127  227.059   16.231  207.677   17.814 19.38188 24.09917 
1 1 1    4    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2    8 o  271.664   21.302  9142.90  1355.58  9142.90  1355.58   0.0000   0.0000  271.664   21.302  ?   ?  0.000000 21.30223 
1 1 1    4    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   11 o  284.276   21.779  9821.30  1450.85  9821.30  1450.85   0.0000   0.0000  284.276   21.779  ?   ?  0.000000 21.77890 
1 1 1    4    2   12 o  170.821   9.3698  3468.99  376.507  3723.10  531.850  3213.70  533.073  176.470   12.851  163.699   13.923 12.77071 18.94724 
1 1 1    4    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   14 o  251.953   13.107  7575.46  777.092  7311.70  1096.72  7841.40  1101.24  246.071   19.022  255.054   18.408 -8.983551 26.47097 
1 1 1    4    2   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   16 o  188.952   10.029  4250.28  445.868  4396.00  630.589  4104.60  630.516  191.430   14.048  184.831   14.564 6.599426 20.23538 
1 1 1    4    2   17 o  203.138   10.880  4921.39  519.979  5253.20  735.211  4589.30  735.513  208.972   14.999  194.963   16.121 14.00905 22.01936 
1 1 1    4    2   18 o  283.781   21.987  9900.20  1461.88  9900.20  1461.88   0.0000   0.0000  283.781   21.987  ?   ?  0.000000 21.98713 
1 1 1    4    2   19 o  182.526   9.7403  3977.16  418.299  4031.10  591.508  3923.20  591.620  182.763   13.808  180.229   14.012 2.534561 19.67180 
1 1 1    4    2   20 o  154.671   8.2683  2852.35  300.890  2957.50  425.531  2747.20  425.515  156.782   11.576  150.958   12.037 5.823273 16.70008 
1 1 1    4    2   21 o  120.643   6.5192  1732.22  185.032  1763.50  261.596  1700.90  261.753  121.258   9.2048  119.036   9.3884 2.221581 13.14799 
1 1 1    4    2   22 o  248.339   13.372  7478.12  781.242  7414.30  1104.63  7542.00  1105.05  243.826   19.344  246.043   19.171 -2.217133 27.23502 
1 1 1    4    2   23 o  135.328   7.2899  2185.47  232.096  2307.80  328.214  2063.10  328.254  138.411   10.112  130.660   10.734 7.750793 14.74695 
1 1 1    4    2   24 o  215.825   11.414  5631.05  579.613  5193.30  819.373  6069.50  820.022  204.274   17.145  221.793   15.760 -17.51901 23.28798 
1 1 1    4    2   25 o  257.298   13.591  8087.60  822.810  7325.70  1163.05  8851.00  1164.20  239.572   20.764  265.306   18.703 -25.73349 27.94561 
1 1 1    4    2   26 o   24.242   1.9941   69.905   11.314   54.500   16.029   85.200   15.971   21.213   3.3078   26.725   2.5622 -5.511850 4.184092 
1 1 1    4    2   27 o  103.167   5.5782  1267.85  135.388  1058.30  191.443  1477.50  191.491   93.590   8.7647  111.051   7.3438 -17.46166 11.43465 
1 1 1    4    2   28 o  142.297   7.6433  2427.16  255.887  2321.10  361.810  2533.30  361.948  137.960   11.203  144.364   10.694 -6.404358 15.48740 
1 1 1    4    2   29 o   88.861   4.8595  940.170  101.583  820.200  143.642  1060.20  143.678   82.493   7.4545   94.080   6.5074 -11.58745 9.895249 
1 1 1    4    2   30 f   76.327   4.0165  692.749   72.138  581.500  101.903  804.500  102.133   69.535   6.2738   82.067   5.2986 -12.53204 8.211923 
1 1 1    4    2   31 f   61.444   3.4613  448.899   50.015  409.700   70.687  488.200   70.778   58.428   5.1770   63.899   4.7242 -5.471264 7.008526 
1 1 1    4    2   32 o   60.971   3.5067  442.550   50.274  445.500   71.100  439.600   71.096   60.921   4.9861   60.506   5.0214 0.4147682 7.076454 
1 1 1    4    2   33 o   21.092   1.8218   53.007   8.9850   48.900   12.718   57.100   12.696   20.128   2.7475   21.814   2.5105 -1.685261 3.721699 
1 1 1    4    2   34 o   77.471   4.3451  719.300   79.167  719.600  112.014  719.000  111.904   76.894   6.2224   76.863   6.2188 0.3092957E-01 8.797218 
1 1 1    4    2   35 o  125.237   6.9262  1925.82  204.033  1865.50  288.469  1986.20  288.623  120.577   10.228  124.767   9.8772 -4.190598 14.21862 
1 1 1    4    2   36 o   58.121   3.3595  404.322   45.911  426.900   64.968  381.800   64.888   59.358   4.6728   56.025   4.9559 3.332726 6.811483 
1 1 1    4    2   37 o   18.387   1.7605   40.412   7.5502   38.500   10.712   42.300   10.644   17.805   2.6267   18.708   2.4698 -0.9027786 3.605453 
1 1 1    4    2   38 o  103.057   5.6475  1306.25  136.912  1508.90  193.743  1104.10  193.503  109.087   7.5681   91.919   9.0316 17.16764 11.78330 
1 1 1    4    2   39 o   86.786   4.9370  921.629  100.757  981.500  142.458  861.700  142.527   88.127   6.9008   82.119   7.4305 6.007683 10.14066 
1 1 1    4    2   40 o   17.484   1.7486   36.624   7.1227   33.800   10.116   39.400   10.030   16.625   2.6670   18.028   2.4169 -1.403116 3.599222 
1 1 1    4    2   41 o   53.297   3.1186  342.541   39.077  383.300   55.337  302.000   55.189   55.915   4.2222   49.327   4.7989 6.587578 6.391910 
1 1 1    4    2   42 o   30.135   2.1511  108.899   15.207  110.100   21.512  107.700   21.499   30.065   3.0733   29.722   3.1093 0.3431740 4.371811 
1 1 1    4    2   43 o   47.881   2.8975  278.108   32.606  308.500   46.181  247.900   46.041   49.879   3.9533   44.397   4.4517 5.481663 5.953659 
1 1 1    4    2   44 o   26.821   1.9844   86.486   12.478   98.200   17.696   74.900   17.599   28.391   2.6709   24.627   3.0947 3.764378 4.087934 
1 1 1    4    2   45 o   42.145   2.6960  216.253   26.690  236.200   37.743  196.300   37.748   43.479   3.7116   39.361   4.1224 4.118088 5.547143 
1 1 1    4    2   46 o   33.170   2.2224  133.068   17.306  146.200   24.600  120.200   24.352   34.421   3.0585   31.039   3.3769 3.381866 4.556096 
1 1 1    4    2   47 o   36.660   2.3385  163.053   20.138  186.700   28.632  139.900   28.331   38.826   3.1501   33.301   3.6634 5.525509 4.831480 
1 1 1    4    2   48 o   11.368   1.6484   15.766   4.2960   20.400   6.2436   11.600   5.9202   12.845   2.1333   9.5937   2.5641 3.250966 3.335568 
1 1 1    4    2   49 f   8.5632   1.7065   9.1003   3.3295   11.500   4.7593   6.8000   4.6597   9.5614   2.1590   7.4967   2.3594 2.064608 3.198111 
1 1 1    4    2   50 o   33.682   2.1880  138.747   17.308  174.200   24.584  103.900   24.372   37.352   2.8078   28.193   3.7544 9.159586 4.688154 
1 1 1    4    2   51 o   18.285   2.7188   42.500   11.382   42.500   11.382   0.0000   0.0000   18.285   2.7188  ?   ?  0.000000 2.718796 
1 1 1    4    2   52 o   12.661   2.5427   20.600   7.3378   20.600   7.3378   0.0000   0.0000   12.661   2.5427  ?   ?  0.000000 2.542750 
1 1 1    4    2   53 o   9.1805   2.5584   10.900   5.7533   10.900   5.7533   0.0000   0.0000   9.1805   2.5584  ?   ?  0.000000 2.558409 
1 1 1    4    2   54 o   13.555   2.6488   24.000   8.1741   24.000   8.1741   0.0000   0.0000   13.555   2.6488  ?   ?  0.000000 2.648764 
1 1 1    4    2   55 o   6.7388   2.6283   4.3000   6.0374   4.3000   6.0374   0.0000   0.0000   6.7388   2.6283  ?   ?  0.000000 2.628335 
1 1 1    4    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3    0 o   43.337   3.9040  227.200   39.206  227.200   39.206  227.200   39.206   43.337   3.9040   43.337   3.9040 -0.000000 0.000000 
1 1 1    4    3    1 o  215.342   11.146  5534.45  564.826  5130.80  797.360  5941.00  800.217  205.981   16.533  222.088   15.353 -16.10677 22.56195 
1 1 1    4    3    2 o  154.638   8.2458  2844.57  300.015  2739.00  424.216  2950.20  424.354  151.102   11.988  156.943   11.531 -5.841064 16.63348 
1 1 1    4    3    3 o   35.225   2.3249  147.199   19.230  151.600   27.197  142.800   27.193   35.670   3.2651   34.599   3.3712 1.070793 4.693192 
1 1 1    4    3    4 o   48.789   2.9135  282.246   33.413  313.800   47.256  250.700   47.249   51.372   3.9253   45.831   4.4207 5.540291 5.911926 
1 1 1    4    3    5 o  280.244   15.293  9506.23  1008.20 10173.60  1424.81  8837.00  1426.81  286.765   21.191  266.136   22.928 20.62961 31.22092 
1 1 1    4    3    6 o  133.501   7.1494  2121.17  224.562  2082.50  317.452  2159.90  317.705  131.712   10.288  134.190   10.100 -2.478195 14.41773 
1 1 1    4    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3    8 o  167.692   12.837  3388.50  504.446  3388.50  504.446   0.0000   0.0000  167.692   12.837  ?   ?  0.000000 12.83664 
1 1 1    4    3    9 o   84.605   4.6647  849.055   92.833  850.500  131.053  847.600  131.520   84.479   6.6226   84.330   6.6588 0.1492844 9.391363 
1 1 1    4    3   10 o   99.466   5.4259  1173.57  126.959  1247.40  179.520  1099.70  179.573  102.349   7.4797   96.003   7.9939 6.346649 10.94756 
1 1 1    4    3   11 o  192.589   10.168  4412.94  460.761  4355.90  650.393  4470.40  652.843  190.571   14.563  193.103   14.421 -2.531815 20.49535 
1 1 1    4    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3   13 o  151.688   8.0712  2732.28  288.062  2791.80  407.433  2672.80  407.330  152.913   11.365  149.561   11.625 3.351959 16.25733 
1 1 1    4    3   14 o  171.317   9.0286  3488.21  363.954  3426.40  513.521  3550.60  515.905  169.197   12.951  172.285   12.772 -3.087845 18.18967 
1 1 1    4    3   15 o  145.869   7.7818  2527.04  267.074  2518.50  377.489  2535.60  377.911  145.182   11.095  145.681   11.068 -0.4991302 15.67193 
1 1 1    4    3   16 o  278.308   14.809  9281.61  969.691  9257.30  1368.80  9306.10  1373.91  275.844   21.176  276.565   21.199 -0.7204895 29.96371 
1 1 1    4    3   17 o  143.136   7.6347  2434.73  257.118  2388.80  363.555  2480.70  363.685  141.284   10.984  144.028   10.771 -2.743805 15.38376 
1 1 1    4    3   18 o   56.873   3.3076  383.506   44.228  352.500   62.555  414.500   62.542   54.368   4.9260   59.033   4.5210 -4.664467 6.686147 
1 1 1    4    3   19 o  250.615   13.415  7555.48  790.982  7675.10  1118.48  7435.80  1118.75  250.264   19.070  246.153   19.404 4.110458 27.20662 
1 1 1    4    3   20 o  180.017   9.6250  3874.16  407.662  4040.70  576.499  3707.60  576.543  182.796   13.450  174.859   14.082 7.936478 19.47372 
1 1 1    4    3   21 o  238.320   12.922  6862.18  724.507  7119.80  1024.16  6604.10  1025.06  240.125   18.197  230.778   18.978 9.346375 26.29293 
1 1 1    4    3   22 o  141.082   7.5713  2375.15  251.314  2533.40  355.413  2216.90  355.410  145.043   10.447  135.425   11.215 9.617813 15.32691 
1 1 1    4    3   23 o   33.669   2.2429  134.541   17.731  140.800   25.093  128.300   25.057   34.367   3.1263   32.775   3.2817 1.591675 4.532477 
1 1 1    4    3   24 o  172.788   9.0784  3582.09  369.113  3308.50  521.756  3856.20  522.253  164.428   13.559  178.051   12.501 -13.62241 18.44202 
1 1 1    4    3   25 f   20.933   1.7971   52.149   8.7970   52.900   12.445   51.400   12.437   21.000   2.5629   20.690   2.6032 0.3095493 3.653076 
1 1 1    4    3   26 o  176.951   9.1801  3763.75  382.269  3258.50  540.315  4270.10  540.906  162.583   14.217  187.217   12.304 -24.63312 18.80153 
1 1 1    4    3   27 o  231.254   12.462  6522.55  677.993  5900.40  958.674  7145.10  958.980  215.389   19.045  238.751   17.124 -23.36285 25.61127 
1 1 1    4    3   28 o   90.242   4.4992  965.694   95.876  755.400  135.426  1177.00  135.752   79.205   7.3237   99.317   5.8138 -20.11140 9.350806 
1 1 1    4    3   29 o  164.423   8.8117  3259.26  340.878  2832.00  481.998  3686.80  482.150  151.044   13.662  173.495   11.840 -22.45041 18.07808 
1 1 1    4    3   30 o  226.064   12.273  6300.24  652.725  5805.50  922.848  6795.50  923.338  211.217   18.696  230.327   17.099 -19.11032 25.33589 
1 1 1    4    3   31 o   86.932   4.7537  901.598   97.214  806.600  137.444  996.700  137.518   81.650   7.2024   91.034   6.4388 -9.383606 9.660889 
1 1 1    4    3   32 o  103.081   5.6438  1274.79  136.855  1216.10  193.526  1333.50  193.559   99.760   8.2904  104.655   7.8903 -4.895668 11.44498 
1 1 1    4    3   33 o   65.970   3.7554  519.247   58.259  524.800   82.414  513.700   82.368   65.977   5.3356   65.256   5.3937 0.7207336 7.586826 
1 1 1    4    3   34 o   70.353   3.9786  592.194   65.825  552.500   93.084  631.900   93.098   67.410   5.9073   72.258   5.4975 -4.847801 8.069630 
1 1 1    4    3   35 o   36.188   2.3392  155.918   19.882  172.200   28.145  139.700   28.090   37.911   3.1732   34.052   3.5454 3.859196 4.758012 
1 1 1    4    3   36 o   19.703   1.5901   46.243   7.3352   59.700   10.455   33.200   10.294   22.356   2.0018   16.495   2.7387 5.860249 3.392275 
1 1 1    4    3   37 o   24.493   1.9149   71.542   10.987   73.900   15.565   69.200   15.511   24.776   2.7044   23.950   2.7953 0.8266068 3.889407 
1 1 1    4    3   38 o   67.119   3.8552  543.300   60.846  540.500   86.052  546.100   86.045   66.208   5.5555   66.568   5.5238 -0.3602905 7.834304 
1 1 1    4    3   39 o   49.792   2.9885  297.337   34.975  304.300   49.509  290.400   49.417   49.988   4.2340   48.790   4.3344 1.198589 6.059196 
1 1 1    4    3   40 f   75.057   4.2577  686.397   75.151  741.500  106.330  631.400  106.229   76.951   5.8966   70.589   6.4441 6.361977 8.734732 
1 1 1    4    3   41 o   27.013   2.0099   87.279   12.729   94.600   18.027   80.000   17.975   27.975   2.7651   25.641   3.0272 2.333445 4.099946 
1 1 1    4    3   42 o   77.448   4.4841  743.640   81.655  779.500  115.493  707.800  115.461   77.467   6.3701   73.412   6.7356 4.054817 9.270719 
1 1 1    4    3   43 o   15.548   1.6473   29.080   5.9559   33.000   8.5001   25.300   8.3477   16.453   2.2466   14.297   2.5671 2.156418 3.411275 
1 1 1    4    3   44 o   3.8452   1.4489   1.2791   1.7918  -2.7000   2.7275   4.3000   2.3766   3.1496   1.4731   5.9209   1.6423 -2.771275 2.206181 
1 1 1    4    3   45 o   26.226   1.9054   82.741   11.719  102.400   16.663   63.500   16.485   29.024   2.4543   22.567   3.1819 6.456942 4.018438 
1 1 1    4    3   46 o   11.692   1.6680   16.640   4.4747   15.900   6.2856   17.400   6.3716   11.263   2.4344   11.807   2.3678 -0.5439301 3.395957 
1 1 1    4    3   47 o   19.437   1.8191   45.628   8.2523   54.400   11.652   36.800   11.689   21.081   2.3824   17.098   3.0050 3.983967 3.834803 
1 1 1    4    3   48 o   25.332   1.9862   77.665   11.786   83.100   16.722   72.300   16.615   25.918   2.7754   24.070   2.9875 1.848169 4.077724 
1 1 1    4    3   49 o   35.563   2.1972  153.993   18.360  192.300   26.159  116.800   25.776   39.372   2.8326   30.118   3.7023 9.254351 4.661621 
1 1 1    4    3   50 o   36.730   2.2241  165.099   19.199  204.500   27.346  126.800   26.961   40.422   2.8839   31.188   3.7352 9.233782 4.718963 
1 1 1    4    3   51 o   15.733   2.6259   31.500   9.4116   31.500   9.4116   0.0000   0.0000   15.733   2.6259  ?   ?  0.000000 2.625898 
1 1 1    4    3   52 o   17.182   2.6607   37.700   10.446   37.700   10.446   0.0000   0.0000   17.182   2.6607  ?   ?  0.000000 2.660658 
1 1 1    4    3   53 o   15.765   2.6577   32.000   9.5418   32.000   9.5418   0.0000   0.0000   15.765   2.6577  ?   ?  0.000000 2.657678 
1 1 1    4    3   54 o   15.348   2.6331   30.600   9.1994   30.600   9.1994   0.0000   0.0000   15.348   2.6331  ?   ?  0.000000 2.633062 
1 1 1    4    3   55 o   4.4849   2.0362  -2.2000   4.6858  -2.2000   4.6858   0.0000   0.0000   4.4849   2.0362  ?   ?  0.000000 2.036153 
1 1 1    4    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4    0 o  236.547   18.297  6803.20  1007.97  6803.20  1007.97  6803.20  1007.97  236.547   18.297  236.547   18.297 -0.000000 0.000000 
1 1 1    4    4    1 o  126.627   6.5390  1904.18  194.857  1623.70  275.315  2185.70  275.824  116.398   10.117  135.408   8.6719 -19.01047 13.32522 
1 1 1    4    4    2 o  206.661   10.757  5101.30  523.126  4450.50  739.413  5753.50  740.212  191.464   16.516  218.535   14.425 -27.07005 21.92873 
1 1 1    4    4    3 o  217.552   11.459  5664.83  586.589  5857.20  831.133  5473.90  827.999  219.788   16.127  212.251   16.654 7.537125 23.18251 
1 1 1    4    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4    5 f  278.486   21.927  9647.00  1430.27  9647.00  1430.27   0.0000   0.0000  278.486   21.927  ?   ?  0.000000 21.92702 
1 1 1    4    4    6 o  270.719   21.225  9100.60  1345.95  9100.60  1345.95   0.0000   0.0000  270.719   21.225  ?   ?  0.000000 21.22471 
1 1 1    4    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4    8 o  191.712   10.590  4393.02  477.534  4812.80  674.556  3971.30  676.118  199.684   14.402  180.815   16.000 18.86862 21.52780 
1 1 1    4    4    9 o  141.520   7.7582  2381.14  258.273  2562.90  364.865  2198.60  365.642  146.408   10.626  135.383   11.548 11.02525 15.69292 
1 1 1    4    4   10 o  171.755   9.1609  3508.38  370.204  3582.80  523.432  3433.90  523.662  172.964   12.909  169.256   13.207 3.707962 18.46760 
1 1 1    4    4   11 o  282.984   14.705  9573.67  979.272  9164.20  1382.24  9986.30  1387.57  274.926   21.462  287.352   20.586 -12.42618 29.73841 
1 1 1    4    4   12 o  174.955   9.3203  3637.98  383.664  3884.60  542.548  3391.30  542.617  180.290   12.828  168.229   13.780 12.06094 18.82664 
1 1 1    4    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4   14 o  210.038   11.164  5254.52  551.709  5290.80  779.980  5218.20  780.491  209.842   15.858  208.360   15.985 1.482346 22.51662 
1 1 1    4    4   15 o  151.540   8.0985  2728.27  288.747  2950.00  408.331  2506.50  408.369  157.187   11.072  144.667   12.064 12.52032 16.37466 
1 1 1    4    4   16 o  257.700   13.533  7943.72  820.636  7741.20  1157.91  8148.10  1163.21  252.611   19.564  259.351   19.129 -6.739990 27.36178 
1 1 1    4    4   17 o  199.930   10.659  4767.99  501.417  4813.90  708.816  4722.00  709.407  199.871   15.130  197.898   15.300 1.973557 21.51758 
1 1 1    4    4   18 o  157.099   8.3230  2937.96  307.657  3082.20  435.233  2793.90  434.953  160.322   11.574  152.469   12.183 7.852966 16.80426 
1 1 1    4    4   19 o  270.711   14.508  8844.29  924.052  8886.60  1306.89  8802.00  1306.73  268.339   20.787  266.995   20.893 1.344482 29.47225 
1 1 1    4    4   20 o  157.200   8.2925  2947.48  306.734  3157.70  433.966  2737.60  433.611  162.009   11.417  150.560   12.304 11.44885 16.78469 
1 1 1    4    4   21 o   38.957   2.4872  180.050   22.761  170.300   32.188  189.800   32.188   37.771   3.6546   39.916   3.4489 -2.144760 5.024991 
1 1 1    4    4   22 o  118.038   6.3826  1659.11  177.243  1680.60  250.602  1637.60  250.716  118.304   9.0391  116.744   9.1684 1.560043 12.87495 
1 1 1    4    4   23 o  125.150   6.7326  1867.33  198.232  1728.10  280.325  2006.60  280.361  119.667   10.012  129.204   9.2504 -9.537216 13.63143 
1 1 1    4    4   24 o  153.609   8.2275  2824.92  297.350  2689.50  420.468  2960.40  420.565  148.686   12.080  156.257   11.478 -7.570572 16.66381 
1 1 1    4    4   25 o  189.820   10.272  4345.10  458.720  4207.30  648.951  4482.70  648.505  184.605   15.017  190.864   14.497 -6.258530 20.87304 
1 1 1    4    4   26 o  137.606   7.4535  2265.01  241.288  2013.20  341.271  2516.70  341.195  128.592   11.356  144.320   10.075 -15.72736 15.18073 
1 1 1    4    4   27 o   51.885   3.0830  319.561   37.603  308.500   53.205  330.600   53.152   50.821   4.4793   52.645   4.3135 -1.823677 6.218514 
1 1 1    4    4   28 o  119.171   6.4277  1696.67  180.211  1606.40  254.816  1787.00  254.898  115.162   9.4538  121.660   8.9352 -6.498627 13.00815 
1 1 1    4    4   29 o  281.828   15.667  9959.91  1038.51  8885.00  1468.62 11035.00  1468.74  255.495   24.648  289.177   21.666 -33.68163 32.81725 
1 1 1    4    4   30 o  116.109   6.1450  1612.98  167.881  1366.20  237.317  1860.20  237.524  105.804   9.6033  124.113   8.1498 -18.30833 12.59536 
1 1 1    4    4   31 o  143.984   7.8128  2505.68  264.641  2412.40  374.227  2599.00  374.291  139.431   11.468  145.023   11.012 -5.591125 15.89889 
1 1 1    4    4   32 o   55.671   3.2422  368.789   42.437  379.000   60.047  358.600   59.983   56.229   4.5617   54.660   4.6927 1.568478 6.544528 
1 1 1    4    4   33 o   49.700   2.9701  294.046   34.697  280.000   49.062  308.100   49.077   48.265   4.3515   50.689   4.1363 -2.423637 6.003718 
1 1 1    4    4   34 o   70.011   3.9683  586.550   65.334  586.900   92.402  586.200   92.392   69.552   5.6756   69.509   5.6786 0.4260254E-01 8.028644 
1 1 1    4    4   35 o   79.147   4.4417  753.446   82.677  764.100  116.944  742.800  116.902   78.972   6.3242   77.814   6.4194 1.157501 9.011297 
1 1 1    4    4   36 o   30.717   2.1617  112.453   15.580  111.200   22.062  113.700   22.005   30.392   3.1183   30.744   3.0723 -0.3516312 4.377524 
1 1 1    4    4   37 o   73.779   4.1563  656.861   72.116  692.200  102.045  621.600  101.932   74.989   5.8081   70.864   6.1525 4.124947 8.460935 
1 1 1    4    4   38 o   29.403   2.0957  103.141   14.456  106.600   20.471   99.700   20.415   29.745   2.9536   28.736   3.0555 1.008879 4.249639 
1 1 1    4    4   39 o   26.390   1.9964   83.146   12.349   84.100   17.500   82.200   17.427   26.391   2.8536   26.083   2.8773 0.3079967 4.052383 
1 1 1    4    4   40 o   39.164   2.4893  183.626   22.902  194.400   32.424  172.900   32.352   40.051   3.4625   37.690   3.6821 2.360973 5.054372 
1 1 1    4    4   41 o   35.570   2.3232  151.560   19.406  162.200   27.496  141.000   27.393   36.568   3.2170   34.004   3.4597 2.564747 4.724282 
1 1 1    4    4   42 o   18.661   1.6054   41.668   7.0052   53.200   10.010   30.600   9.8067   21.026   2.0418   15.743   2.7374 5.283571 3.415047 
1 1 1    4    4   43 o   12.689   1.6431   19.473   4.8076   22.000   6.8366   17.000   6.7620   13.378   2.2436   11.673   2.5265 1.704867 3.378867 
1 1 1    4    4   44 o   15.907   1.7303   30.522   6.3946   28.000   9.0831   33.000   9.0041   15.014   2.6594   16.398   2.3960 -1.384690 3.579551 
1 1 1    4    4   45 o   26.705   2.0355   86.002   12.739   90.700   18.012   81.300   18.019   27.163   2.8506   25.634   3.0358 1.529093 4.164390 
1 1 1    4    4   46 o   20.323   1.8203   49.801   8.6428   52.000   12.219   47.600   12.227   20.564   2.5725   19.619   2.7118 0.9453144 3.737867 
1 1 1    4    4   47 o   5.6852   1.6471   3.9415   2.3390   4.5000   3.3337   3.4000   3.2826   6.2004   2.0005   5.6522   1.9855 0.5481777 2.818545 
1 1 1    4    4   48 o   19.408   1.8106   45.561   8.2019   44.700   11.675   46.400   11.525   18.958   2.6830   19.354   2.5864 -0.3965988 3.726617 
1 1 1    4    4   49 o   20.165   1.8213   49.309   8.5790   53.700   12.190   45.000   12.075   20.807   2.5334   18.928   2.7850 1.879196 3.764878 
1 1 1    4    4   50 o   28.501   2.0270   99.014   13.553  117.500   19.266   80.900   19.071   30.710   2.6836   25.108   3.2963 5.602844 4.250535 
1 1 1    4    4   51 o   14.696   2.5736   27.500   8.6059   27.500   8.6059   0.0000   0.0000   14.696   2.5736  ?   ?  0.000000 2.573635 
1 1 1    4    4   52 o   13.651   2.6370   24.000   8.1924   24.000   8.1924   0.0000   0.0000   13.651   2.6370  ?   ?  0.000000 2.637008 
1 1 1    4    4   53 o   18.151   2.7715   42.500   11.503   42.500   11.503   0.0000   0.0000   18.151   2.7715  ?   ?  0.000000 2.771537 
1 1 1    4    4   54 o   5.3723   2.0921   2.4000   3.8206   2.4000   3.8206   0.0000   0.0000   5.3723   2.0921  ?   ?  0.000000 2.092090 
1 1 1    4    4   55 o   9.2309   2.8851   11.500   6.9814   11.500   6.9814   0.0000   0.0000   9.2309   2.8851  ?   ?  0.000000 2.885150 
1 1 1    4    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    4   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5    0 o  226.390   17.535  6237.40  924.483  6237.40  924.483  6237.40  924.483  226.390   17.535  226.390   17.535 0.000000 0.000000 
1 1 1    4    5    1 o  131.600   7.0632  2059.54  218.689  2099.00  309.321  2020.10  309.226  132.394   9.9673  129.831   10.168 2.563431 14.23825 
1 1 1    4    5    2 o  196.984   9.2281  4617.33  429.245  5868.40  608.086  3374.80  606.007  221.259   11.680  166.531   15.592 54.72757 19.48171 
1 1 1    4    5    3 o  228.375   12.172  6263.01  654.042  5841.80  924.804  6684.50  925.107  218.326   18.102  234.195   16.841 -15.86848 24.72408 
1 1 1    4    5    4 f   38.000   2.4175  171.281   21.580  183.900   30.542  158.700   30.497   39.304   3.3218   36.463   3.5884 2.841007 4.889854 
1 1 1    4    5    5 o  233.151   12.456  6537.96  683.297  6774.00  966.520  6302.10  966.136  235.258   17.524  226.551   18.214 8.706207 25.27491 
1 1 1    4    5    6 o  224.809   11.869  6065.97  627.865  5848.20  886.358  6285.30  889.522  218.735   17.302  227.062   16.708 -8.327148 24.05182 
1 1 1    4    5    7 o  257.645   13.772  7988.19  834.849  8161.10  1180.86  7815.40  1180.45  258.004   19.527  252.233   19.983 5.770950 27.93950 
1 1 1    4    5    8 o  109.992   6.0467  1436.47  156.448  1524.60  221.033  1348.00  221.469  113.049   8.3388  106.180   8.9155 6.869514 12.20744 
1 1 1    4    5    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5   10 o  334.975   25.949 13752.60  2036.53 13752.60  2036.53   0.0000   0.0000  334.975   25.949  ?   ?  0.000000 25.94889 
1 1 1    4    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5   12 o  171.479   9.1311  3494.42  368.409  3674.70  520.984  3314.10  521.033  175.348   12.668  166.355   13.377 8.993179 18.42306 
1 1 1    4    5   13 o  183.980   10.110  4027.38  437.532  4383.50  617.921  3669.30  619.611  191.360   13.767  174.720   15.169 16.64026 20.48441 
1 1 1    4    5   14 f  435.124   34.397 23773.10  3505.39 23773.10  3505.39   0.0000   0.0000  435.124   34.397  ?   ?  0.000000 34.39669 
1 1 1    4    5   15 o  278.634   15.435  9310.08  1011.58 10256.10  1428.88  8359.50  1432.32  290.646   20.960  261.324   23.461 29.32211 31.46029 
1 1 1    4    5   16 o  348.769   18.925 14706.18  1552.74 15048.10  2192.61 14362.20  2199.22  348.757   26.830  340.217   27.613 8.539825 38.50108 
1 1 1    4    5   17 o  276.521   14.798  9190.49  962.786  9335.50  1361.17  9045.30  1362.00  276.246   21.025  271.726   21.400 4.519623 29.99989 
1 1 1    4    5   18 o  241.260   12.905  6985.75  732.538  7491.60  1035.91  6479.80  1036.02  248.085   17.802  230.048   19.249 18.03667 26.21828 
1 1 1    4    5   19 o  134.512   7.2095  2152.99  228.162  2174.50  322.728  2131.50  322.611  134.659   10.226  133.292   10.330 1.366943 14.53564 
1 1 1    4    5   20 o  111.311   6.0156  1473.10  157.531  1488.20  222.801  1458.00  222.763  111.495   8.5272  110.336   8.6184 1.159355 12.12389 
1 1 1    4    5   21 o   57.738   3.3617  395.514   45.636  378.200   64.565  412.800   64.512   56.298   4.9057   58.862   4.6800 -2.563831 6.780034 
1 1 1    4    5   22 o  144.368   7.7614  2488.76  263.621  2601.40  372.799  2376.10  372.834  146.842   10.828  140.152   11.363 6.690781 15.69608 
1 1 1    4    5   23 o  100.687   5.4339  1205.95  128.717  1082.50  181.998  1329.50  182.068   94.911   8.2012  105.418   7.3602 -10.50778 11.01962 
1 1 1    4    5   24 o  120.879   6.5168  1742.49  185.328  1617.70  262.080  1867.30  262.106  115.757   9.6766  124.608   8.9678 -8.850288 13.19311 
1 1 1    4    5   25 o  218.993   11.807  5817.60  608.291  5939.50  860.411  5695.80  860.097  218.335   16.818  213.531   17.204 4.804840 24.05865 
1 1 1    4    5   26 o   53.032   3.1038  333.784   38.699  305.700   54.714  361.900   54.744   50.574   4.6330   55.111   4.2392 -4.537067 6.279805 
1 1 1    4    5   27 o   97.888   5.3133  1141.02  122.357  1048.90  173.007  1233.20  173.070   93.347   7.9236  101.412   7.2756 -8.064964 10.75720 
1 1 1    4    5   28 o  159.744   8.5332  3069.33  320.719  2834.40  453.449  3304.50  453.680  151.765   12.772  164.434   11.762 -12.66879 17.36255 
1 1 1    4    5   29 o  101.782   5.5378  1236.03  132.597  1125.10  187.506  1347.00  187.534   96.454   8.3138  105.805   7.5557 -9.351433 11.23424 
1 1 1    4    5   30 o  159.658   8.7391  3084.73  328.223  2712.00  464.260  3457.20  464.094  147.197   13.507  167.398   11.817 -20.20178 17.94664 
1 1 1    4    5   31 f   10.407   1.7500   13.152   4.1480   7.8000   5.9239   18.300   5.8100   8.2508   2.6672   12.271   2.0793 -4.020634 3.381875 
1 1 1    4    5   32 f   48.104   2.8959  275.197   32.741  277.700   46.328  272.700   46.279   48.148   4.1143   47.704   4.1497 0.4444389 5.843564 
1 1 1    4    5   33 o   64.630   3.6914  498.449   56.103  489.300   79.336  507.600   79.347   63.669   5.3258   64.884   5.2231 -1.214336 7.459560 
1 1 1    4    5   34 o   20.863   1.7570   51.860   8.5750   56.800   12.176   47.000   12.078   21.759   2.4103   19.729   2.6605 2.030012 3.589935 
1 1 1    4    5   35 o   44.656   2.7182  237.727   28.527  264.000   40.361  211.500   40.326   46.889   3.6747   41.838   4.1360 5.051708 5.532564 
1 1 1    4    5   36 f   32.903   2.2258  129.032   17.192  137.000   24.342  121.100   24.285   33.768   3.0869   31.691   3.2933 2.076820 4.513857 
1 1 1    4    5   37 o   22.901   1.8033   62.527   9.6729   71.200   13.738   54.000   13.622   24.360   2.4204   21.114   2.8013 3.245590 3.702085 
1 1 1    4    5   38 o   62.613   3.4662  471.231   51.049  552.900   72.270  389.900   72.120   67.411   4.5670   56.167   5.5086 11.24421 7.155537 
1 1 1    4    5   39 o   32.022   2.0428  122.263   15.366  149.600   21.807   95.300   21.657   35.329   2.6329   28.003   3.3412 7.326311 4.253848 
1 1 1    4    5   40 o   7.3759   1.7128   6.7126   2.9260   4.2000   4.2386   9.0000   4.0442   6.3727   2.2545   8.5324   2.0357 -2.159787 3.037540 
1 1 1    4    5   41 o   45.343   2.7869  247.378   29.696  258.500   42.038  236.300   41.953   45.946   3.9119   43.838   4.1004 2.108219 5.667112 
1 1 1    4    5   42 o   19.972   1.7732   47.823   8.2759   50.300   11.770   45.400   11.639   20.339   2.5034   19.279   2.6249 1.059656 3.627266 
1 1 1    4    5   43 o   14.950   1.6361   26.909   5.6815   30.300   8.1475   23.700   7.9269   15.748   2.2553   13.833   2.5195 1.914974 3.381453 
1 1 1    4    5   44 o   35.116   2.2658  148.729   18.688  167.900   26.513  129.800   26.345   37.007   3.0615   32.317   3.5085 4.689392 4.656462 
1 1 1    4    5   45 o   10.538   1.6468   13.556   3.9639   16.300   5.7076   11.000   5.5091   11.462   2.1886   9.3732   2.4585 2.088634 3.291598 
1 1 1    4    5   46 o   20.329   1.7771   49.787   8.4451   56.600   11.999   43.100   11.888   21.517   2.4026   18.626   2.7887 2.891512 3.680915 
1 1 1    4    5   47 o   15.409   1.6613   28.694   5.9495   36.200   8.4745   21.400   8.3544   17.214   2.1302   13.005   2.8031 4.209751 3.520713 
1 1 1    4    5   48 o   19.587   1.8151   46.416   8.2999   53.400   11.725   39.400   11.751   20.834   2.4288   17.693   2.9142 3.141090 3.793685 
1 1 1    4    5   49 o   38.019   2.4157  177.182   21.575  222.000   30.569  132.700   30.454   42.090   3.0974   31.753   4.1618 10.33678 5.187912 
1 1 1    4    5   50 o   7.3419   1.7644   6.7533   3.0208   6.6000   4.3202   6.9000   4.2256   7.3386   2.2656   7.4631   2.2279 -0.1244283 3.177540 
1 1 1    4    5   51 o   32.198   3.4026  134.800   25.479  134.800   25.479   0.0000   0.0000   32.198   3.4026  ?   ?  0.000000 3.402646 
1 1 1    4    5   52 o   11.164   2.5334   16.100   6.5255   16.100   6.5255   0.0000   0.0000   11.164   2.5334  ?   ?  0.000000 2.533368 
1 1 1    4    5   53 o   26.793   3.1492   93.800   19.544   93.800   19.544   0.0000   0.0000   26.793   3.1492  ?   ?  0.000000 3.149163 
1 1 1    4    5   54 o   8.4729   2.3060   9.3000   4.7370   9.3000   4.7370   0.0000   0.0000   8.4729   2.3060  ?   ?  0.000000 2.305953 
1 1 1    4    5   55 o   5.4656   2.1510   2.5000   4.0737   2.5000   4.0737   0.0000   0.0000   5.4656   2.1510  ?   ?  0.000000 2.150954 
1 1 1    4    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    5   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6    0 o  113.645   8.9223  1558.70  236.041  1558.70  236.041  1558.70  236.041  113.645   8.9223  113.645   8.9223 0.000000 0.000000 
1 1 1    4    6    1 o   93.041   4.9521  1027.44  108.408  1178.60  153.443  876.800  153.181   99.485   6.5687   85.591   7.6601 13.89421 10.09083 
1 1 1    4    6    2 o   74.466   4.1626  657.899   72.903  651.700  103.096  664.100  103.105   73.925   5.9564   74.637   5.8982 -0.7113037 8.382585 
1 1 1    4    6    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6    4 o  298.738   23.625 11186.30  1652.96 11186.30  1652.96   0.0000   0.0000  298.738   23.625  ?   ?  0.000000 23.62485 
1 1 1    4    6    5 o  301.165   23.859 11358.70  1682.87   0.0000   0.0000 11358.70  1682.87  ?   ?   301.165   23.859 0.000000 23.85907 
1 1 1    4    6    6 o  239.769   12.836  6903.41  724.114  7026.20  1024.41  6780.80  1023.69  239.884   18.221  235.490   18.560 4.393921 26.00885 
1 1 1    4    6    7 o  237.384   12.760  6751.73  712.650  7540.40  1007.63  5962.40  1008.05  249.453   17.211  220.851   19.531 28.60269 26.03237 
1 1 1    4    6    8 o  121.282   6.5429  1746.26  186.689  1752.50  263.730  1740.00  264.307  121.165   9.2884  120.721   9.3446 0.4437943 13.17555 
1 1 1    4    6    9 o  255.029   13.539  7771.84  812.422  7710.90  1147.48  7833.10  1150.41  252.452   19.397  254.490   19.287 -2.037872 27.35373 
1 1 1    4    6   10 o  185.608   9.8806  4096.83  431.493  4155.50  610.046  4038.10  610.402  186.277   13.971  183.570   14.192 2.706558 19.91448 
1 1 1    4    6   11 o  393.456   30.686 19130.30  2828.49   0.0000   0.0000 19130.30  2828.49  ?   ?   393.456   30.686 0.000000 30.68625 
1 1 1    4    6   12 o  374.837   29.090 17314.40  2554.69 17314.40  2554.69   0.0000   0.0000  374.837   29.090  ?   ?  0.000000 29.09031 
1 1 1    4    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6   14 o  307.637   15.948 11347.31  1154.56 10814.00  1628.93 11885.70  1636.68  297.708   23.359  312.622   22.317 -14.91400 32.30637 
1 1 1    4    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6   16 o  324.971   25.263 13034.10  1923.40 13034.10  1923.40   0.0000   0.0000  324.971   25.263  ?   ?  0.000000 25.26322 
1 1 1    4    6   17 o   59.021   3.3628  412.968   46.673  449.600   66.034  376.400   65.977   61.491   4.5805   56.186   5.0258 5.304852 6.800015 
1 1 1    4    6   18 o  220.849   11.837  5844.85  615.068  6108.00  869.664  5581.50  870.013  224.231   16.541  213.988   17.367 10.24222 23.98426 
1 1 1    4    6   19 o  266.842   14.159  8600.34  888.958  8233.50  1256.38  8968.10  1257.97  257.742   20.821  269.597   19.901 -11.85522 28.80205 
1 1 1    4    6   20 o  158.417   8.4681  2996.38  315.627  3047.70  446.443  2945.10  446.285  158.894   11.987  156.120   12.203 2.774109 17.10530 
1 1 1    4    6   21 o  127.143   6.6512  1924.99  198.994  1635.50  281.294  2215.00  281.546  116.431   10.339  135.990   8.8150 -19.55946 13.58662 
1 1 1    4    6   22 o   56.853   3.2692  383.472   43.704  362.300   61.765  404.700   61.847   55.097   4.7952   58.286   4.5292 -3.189137 6.596031 
1 1 1    4    6   23 o   78.263   4.2838  727.448   78.867  650.800  111.498  804.200  111.573   73.720   6.4704   82.111   5.7915 -8.390297 8.683765 
1 1 1    4    6   24 o   70.934   3.9881  597.550   66.530  597.600   94.186  597.500   93.991   70.725   5.6877   70.720   5.6761 0.4440308E-02 8.035481 
1 1 1    4    6   25 o  214.229   11.662  5565.88  587.746  5280.40  831.462  5851.00  830.936  205.426   17.302  216.952   16.340 -11.52605 23.79763 
1 1 1    4    6   26 o   77.395   4.2513  711.738   77.398  578.000  109.432  845.600  109.483   69.350   6.7688   84.208   5.5368 -14.85867 8.744861 
1 1 1    4    6   27 o   98.730   5.2828  1160.67  122.714  1013.00  173.469  1308.60  173.619   91.673   8.0966  104.513   7.0767 -12.83958 10.75340 
1 1 1    4    6   28 o  115.102   5.9298  1580.52  160.622  1321.10  226.988  1840.70  227.321  104.389   9.3060  123.786   7.8171 -19.39664 12.15354 
1 1 1    4    6   29 o  146.315   7.9134  2575.25  272.393  2543.50  385.242  2607.00  385.203  143.980   11.425  145.847   11.272 -1.867294 16.04969 
1 1 1    4    6   30 o   99.611   5.5219  1185.79  129.376  1046.70  183.025  1324.70  182.906   92.807   8.4440  104.803   7.4391 -11.99690 11.25350 
1 1 1    4    6   31 o   59.764   3.3872  424.851   47.605  362.400   67.297  487.400   67.350   54.877   5.2576   63.857   4.4952 -8.979210 6.917281 
1 1 1    4    6   32 o   46.867   2.8578  261.261   31.476  240.500   44.526  282.000   44.502   44.749   4.2654   48.547   3.9153 -3.798714 5.789912 
1 1 1    4    6   33 o   44.633   2.7441  237.100   28.781  219.000   40.702  255.200   40.702   42.673   4.0893   46.154   3.7675 -3.480278 5.560304 
1 1 1    4    6   34 o   78.802   4.3609  745.187   80.832  797.500  114.384  693.000  114.245   80.948   6.0273   75.246   6.4933 5.701538 8.859483 
1 1 1    4    6   35 f   61.732   3.5609  456.198   51.687  424.200   73.095  488.200   73.098   59.025   5.3008   63.482   4.9146 -4.456825 7.228578 
1 1 1    4    6   36 o   81.017   4.5178  793.302   86.086  840.700  121.806  746.000  121.683   82.528   6.2979   77.484   6.7169 5.043266 9.207643 
1 1 1    4    6   37 o   59.868   3.5029  430.467   49.305  419.200   69.782  441.700   69.674   58.526   5.1003   60.147   4.9496 -1.621243 7.107107 
1 1 1    4    6   38 o   78.044   4.3722  738.788   80.250  790.800  113.559  686.900  113.424   79.787   6.0729   74.031   6.5561 5.756264 8.936623 
1 1 1    4    6   39 o  104.010   5.8943  1344.39  144.171  1354.50  203.966  1334.30  203.812  101.637   8.5787  100.794   8.6469 0.8431244 12.18045 
1 1 1    4    6   40 o   36.025   2.3355  155.253   19.761  168.300   27.996  142.300   27.896   37.304   3.2094   34.199   3.5038 3.104889 4.751499 
1 1 1    4    6   41 o   56.830   3.3753  391.505   45.092  387.100   63.803  395.900   63.736   55.720   4.8990   56.393   4.8329 -0.6729698 6.881636 
1 1 1    4    6   42 f   25.780   1.9478   79.653   11.770   85.900   16.708   73.500   16.582   26.603   2.6970   24.528   2.9204 2.074865 3.975291 
1 1 1    4    6   43 o   30.234   2.0578  109.799   14.604  129.300   20.707   90.500   20.600   32.625   2.7124   27.065   3.2910 5.559729 4.264706 
1 1 1    4    6   44 o   15.273   1.6731   28.131   5.9351   30.200   8.4331   26.100   8.3545   15.680   2.3500   14.510   2.5303 1.170122 3.453240 
1 1 1    4    6   45 o   36.034   2.3509  157.211   19.894  171.800   28.221  142.800   28.048   37.272   3.2387   33.793   3.5689 3.478401 4.819380 
1 1 1    4    6   46 o   18.454   1.7428   41.063   7.5046   45.400   10.659   36.800   10.568   19.243   2.3978   17.212   2.6880 2.031471 3.602035 
1 1 1    4    6   47 o   25.243   1.9425   76.935   11.490   92.400   16.284   61.600   16.215   27.474   2.5387   22.146   3.1930 5.328150 4.079266 
1 1 1    4    6   48 o   33.687   2.3086  138.229   18.254  151.100   25.836  125.400   25.794   34.762   3.1828   31.441   3.5355 3.320667 4.757138 
1 1 1    4    6   49 o   39.637   2.6900  194.365   25.029  230.200   35.340  158.300   35.453   42.447   3.5586   34.420   4.4674 8.027908 5.711530 
1 1 1    4    6   50 o   16.645   2.5768   34.900   9.8010   34.900   9.8010   0.0000   0.0000   16.645   2.5768  ?   ?  0.000000 2.576804 
1 1 1    4    6   51 o   22.279   2.8268   63.200   14.537   63.200   14.537   0.0000   0.0000   22.279   2.8268  ?   ?  0.000000 2.826763 
1 1 1    4    6   52 o   11.752   2.4239   17.700   6.5031   17.700   6.5031   0.0000   0.0000   11.752   2.4239  ?   ?  0.000000 2.423905 
1 1 1    4    6   53 o   9.7022   2.4409   12.200   5.5875   12.200   5.5875   0.0000   0.0000   9.7022   2.4409  ?   ?  0.000000 2.440946 
1 1 1    4    6   54 o  ?   ?   -4.8000   0.6892  -4.8000   0.6892   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    6   55 o   15.239   2.8789   31.700   9.9802   31.700   9.9802   0.0000   0.0000   15.239   2.8789  ?   ?  0.000000 2.878889 
1 1 1    4    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7    1 o  234.005   12.534  6584.95  690.060  6562.20  975.979  6607.70  975.806  231.389   18.004  232.226   17.934 -0.8370209 25.41181 
1 1 1    4    7    2 o  107.682   5.8200  1377.62  147.439  1306.80  208.469  1448.50  208.552  104.490   8.5233  110.117   8.0768 -5.627052 11.74226 
1 1 1    4    7    3 o   62.922   3.5012  469.461   51.816  512.000   73.399  427.200   73.158   65.607   4.7705   59.846   5.2294 5.761189 7.078414 
1 1 1    4    7    4 o  267.522   14.351  8630.75  903.237  8618.70  1277.64  8642.80  1277.10  264.424   20.625  264.815   20.585 -0.3915100 29.13972 
1 1 1    4    7    5 o   93.644   5.0725  1040.60  111.749  1086.50  158.202  994.900  157.873   95.472   7.0676   91.295   7.3865 4.177788 10.22305 
1 1 1    4    7    6 o  250.235   13.304  7506.60  783.293  7736.70  1108.09  7276.80  1107.39  252.205   18.740  244.317   19.353 7.887573 26.93967 
1 1 1    4    7    7 o  221.904   11.987  5880.87  625.793  6428.60  884.469  5331.80  885.543  230.943   16.324  209.722   18.058 21.22031 24.34220 
1 1 1    4    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7    9 o  187.813   10.032  4195.62  443.314  4262.70  626.389  4128.30  627.493  188.628   14.166  185.563   14.434 3.065094 20.22437 
1 1 1    4    7   10 o   47.675   2.8100  269.381   31.494  302.000   44.587  236.900   44.492   50.419   3.7723   44.571   4.2800 5.847557 5.705136 
1 1 1    4    7   11 o  210.348   11.157  5267.46  552.179  5160.90  780.737  5374.10  781.061  207.284   16.076  211.620   15.743 -4.336075 22.50083 
1 1 1    4    7   12 o  374.697   29.119 17320.20  2556.23 17320.20  2556.23   0.0000   0.0000  374.697   29.119  ?   ?  0.000000 29.11930 
1 1 1    4    7   13 o  110.586   5.9630  1450.59  155.140  1440.70  218.751  1460.60  220.056  109.945   8.4916  110.708   8.4822 -0.7625961 12.00229 
1 1 1    4    7   14 o  312.012   17.207 11707.41  1262.89 12677.60  1783.82 10732.50  1788.16  322.187   23.611  295.300   25.905 26.88647 35.05112 
1 1 1    4    7   15 o  104.275   5.7377  1290.12  140.737  1328.30  198.603  1251.60  199.464  105.568   8.0271  102.420   8.3193 3.148232 11.56050 
1 1 1    4    7   16 o  202.555   10.842  4896.10  516.704  4945.80  729.638  4846.10  731.827  202.508   15.373  200.386   15.589 2.121765 21.89369 
1 1 1    4    7   17 o  180.156   9.9152  3873.41  420.184  4196.30  593.490  3548.90  594.974  186.695   13.555  171.266   14.859 15.42926 20.11267 
1 1 1    4    7   18 o  175.476   9.6230  3677.26  397.220  3901.60  560.927  3451.60  562.585  179.856   13.302  168.843   14.244 11.01346 19.48885 
1 1 1    4    7   19 o  243.427   13.126  7145.51  751.735  7434.40  1062.82  6856.30  1063.41  245.857   18.441  235.618   19.282 10.23909 26.68091 
1 1 1    4    7   20 o   89.056   4.8758  941.935  102.144  928.600  144.375  955.300  144.533   88.146   6.9937   89.426   6.8978 -1.280022 9.822991 
1 1 1    4    7   21 o  193.540   10.374  4499.79  472.384  4880.80  668.060  4118.80  668.045  200.109   14.231  183.163   15.594 16.94624 21.11132 
1 1 1    4    7   22 o  189.344   9.8334  4305.01  438.146  3913.90  619.051  4697.60  620.215  178.616   14.811  196.408   13.454 -17.79187 20.00920 
1 1 1    4    7   23 o   87.635   4.7915  912.812   98.779  932.300  139.833  893.400  139.557   88.282   6.7591   86.385   6.8990 1.896179 9.658232 
1 1 1    4    7   24 o  104.952   5.7206  1311.67  141.239  1301.50  199.919  1321.80  199.566  104.078   8.2010  104.909   8.1191 -0.8311081 11.54020 
1 1 1    4    7   25 o   24.195   1.8588   69.568   10.539   54.100   14.889   85.100   14.919   21.169   3.0679   26.727   2.3891 -5.558052 3.888440 
1 1 1    4    7   26 o   43.483   2.6955  224.407   27.540  214.800   38.963  234.000   38.934   42.410   3.9355   44.301   3.7572 -1.891125 5.440989 
1 1 1    4    7   27 o   97.560   5.1715  1133.17  118.712  992.500  167.780  1274.20  167.989   90.762   7.9074  103.140   6.9378 -12.37811 10.51951 
1 1 1    4    7   28 o  183.150   9.8858  4059.52  425.960  3902.90  602.346  4216.20  602.452  177.097   14.532  184.482   13.932 -7.384903 20.13154 
1 1 1    4    7   29 o  176.134   9.5703  3761.58  396.548  3275.80  560.823  4247.30  560.786  161.350   14.887  185.250   12.900 -23.90007 19.69897 
1 1 1    4    7   30 o  133.763   7.3758  2154.93  232.075  1931.20  328.334  2378.30  328.073  124.982   11.246  139.406   10.033 -14.42474 15.07077 
1 1 1    4    7   31 o  112.396   6.1160  1517.57  161.714  1433.90  228.663  1601.30  228.732  108.153   9.0364  114.559   8.5163 -6.406578 12.41705 
1 1 1    4    7   32 o   37.556   2.4227  167.693   21.371  160.100   30.210  175.300   30.236   36.545   3.5454   38.280   3.3796 -1.735710 4.898106 
1 1 1    4    7   33 o   77.827   4.3588  725.499   79.784  719.500  112.821  731.500  112.841   76.924   6.2655   77.586   6.2113 -0.6617813 8.822509 
1 1 1    4    7   34 o   13.629   1.6211   22.284   5.1152   23.700   7.2747   20.900   7.1939   13.961   2.2857   13.071   2.4199 0.8907852 3.328707 
1 1 1    4    7   35 o   19.122   1.7621   43.654   7.8671   42.900   11.155   44.400   11.097   18.836   2.5754   19.179   2.5107 -0.3431091 3.596682 
1 1 1    4    7   36 o   25.263   1.9530   76.097   11.560   77.000   16.376   75.200   16.322   25.286   2.7890   24.981   2.8161 0.3056221 3.963438 
1 1 1    4    7   37 o   94.921   5.3108  1101.68  118.560  1176.20  167.696  1027.20  167.642   96.548   7.4122   89.726   7.9961 6.821396 10.90310 
1 1 1    4    7   38 o   49.246   2.9382  290.565   34.012  308.700   48.148  272.500   48.054   50.433   4.0778   47.274   4.3537 3.159672 5.965139 
1 1 1    4    7   39 o   36.532   2.3049  159.419   19.781  179.300   28.068  139.800   27.882   38.576   3.1077   33.926   3.5322 4.649727 4.704708 
1 1 1    4    7   40 o   70.380   4.0413  602.888   66.881  620.000   94.618  585.800   94.551   70.319   5.7485   68.215   5.9288 2.103714 8.258067 
1 1 1    4    7   41 o   17.337   1.7290   36.060   6.9838   34.800   9.9144   37.300   9.8392   16.867   2.5706   17.501   2.4479 -0.6340828 3.549640 
1 1 1    4    7   42 f   24.863   1.9333   74.125   11.261   80.000   15.960   68.300   15.893   25.663   2.6729   23.628   2.9099 2.034935 3.951169 
1 1 1    4    7   43 o   46.862   2.8812  266.830   31.728  277.400   44.912  256.300   44.828   47.131   4.0756   45.184   4.2515 1.947323 5.889406 
1 1 1    4    7   44 o   35.829   2.3572  155.203   19.831  165.800   28.108  144.700   27.984   36.643   3.2833   34.100   3.5263 2.543499 4.818158 
1 1 1    4    7   45 o   6.2742   1.6291   4.8701   2.4350   5.3000   3.5798   4.5000   3.3218   6.6552   2.0637   6.2034   1.9964 0.4518447 2.871299 
1 1 1    4    7   46 o   25.238   1.8638   76.697   11.029   90.800   15.712   63.000   15.484   27.283   2.4655   22.508   2.9871 4.774971 3.873170 
1 1 1    4    7   47 o   39.610   2.6670  191.936   24.800  206.600   34.912  177.000   35.234   40.471   3.6939   37.181   4.0802 3.290672 5.503875 
1 1 1    4    7   48 o   33.606   2.2513  137.454   17.762  155.900   25.220  119.300   25.020   35.372   3.0492   30.644   3.5216 4.728434 4.658250 
1 1 1    4    7   49 o   10.520   1.8503   13.711   4.4286   18.300   6.1007   8.6000   6.4389   12.092   2.2183   8.4624   2.7834 3.629973 3.559210 
1 1 1    4    7   50 o   33.573   3.4744  145.700   27.146  145.700   27.146   0.0000   0.0000   33.573   3.4744  ?   ?  0.000000 3.474384 
1 1 1    4    7   51 o   21.515   2.7780   58.900   13.784   58.900   13.784   0.0000   0.0000   21.515   2.7780  ?   ?  0.000000 2.778015 
1 1 1    4    7   52 o   22.929   2.8783   67.400   15.241   67.400   15.241   0.0000   0.0000   22.929   2.8783  ?   ?  0.000000 2.878325 
1 1 1    4    7   53 o   11.261   2.4440   16.400   6.3121   16.400   6.3121   0.0000   0.0000   11.261   2.4440  ?   ?  0.000000 2.443956 
1 1 1    4    7   54 o  ?   ?   -6.5000   0.8328  -6.5000   0.8328   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4    7   55 o   12.524   2.9682   21.900   8.6440   21.900   8.6440   0.0000   0.0000   12.524   2.9682  ?   ?  0.000000 2.968180 
1 1 1    4    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8    0 o  264.970   20.606  8590.80  1271.37  8590.80  1271.37  8590.80  1271.37  264.970   20.606  264.970   20.606 -0.000000 0.000000 
1 1 1    4    8    1 o  100.273   5.4640  1193.76  128.890  1174.70  182.334  1212.80  182.221   99.173   7.8501  100.797   7.7143 -1.624268 11.00615 
1 1 1    4    8    2 o  256.673   14.139  7933.81  853.650  6955.80  1208.31  8908.40  1206.19  237.068   21.830  269.928   19.046 -32.85997 28.97028 
1 1 1    4    8    3 o  155.686   7.8307  2883.08  286.963  2410.60  405.263  3358.20  406.392  141.523   12.248  167.622   10.317 -26.09863 16.01402 
1 1 1    4    8    4 o   23.166   1.8469   63.784   10.019   69.400   14.190   58.200   14.149   24.107   2.5305   22.021   2.7831 2.085320 3.761522 
1 1 1    4    8    5 o  239.372   12.617  6853.75  710.663  7305.30  1005.48  6403.00  1004.58  245.737   17.441  229.567   18.694 16.17023 25.56658 
1 1 1    4    8    6 o  299.784   16.136 10797.64  1138.04 11045.60  1607.37 10548.40  1611.50  300.659   22.810  293.497   23.448 7.161285 32.71254 
1 1 1    4    8    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8   10 o  121.568   6.5892  1753.36  188.449  1793.70  266.150  1712.80  266.866  122.680   9.2555  119.834   9.5090 2.846222 13.26969 
1 1 1    4    8   11 o  336.125   17.769 13568.17  1405.34 14414.70  1988.13 12722.80  1986.76  343.852   24.649  322.215   26.342 21.63647 36.07621 
1 1 1    4    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8   13 o  443.616   35.354 24844.80  3672.75 24844.80  3672.75   0.0000   0.0000  443.616   35.354  ?   ?  0.000000 35.35430 
1 1 1    4    8   14 o  269.816   14.132  8713.64  897.288  8422.70  1266.65  9006.70  1271.27  263.285   20.536  272.541   19.891 -9.256104 28.58981 
1 1 1    4    8   15 o  312.753   16.886 11787.20  1242.46 12006.80  1754.53 11566.30  1759.68  312.509   23.958  306.402   24.527 6.106873 34.28624 
1 1 1    4    8   16 o  137.181   7.5978  2238.09  245.159  2467.90  346.265  2007.10  347.151  143.660   10.275  129.259   11.493 14.40096 15.41674 
1 1 1    4    8   17 o  288.114   15.337 10024.15  1039.68  9852.10  1467.55 10197.50  1473.12  282.224   22.200  287.341   21.875 -5.117340 31.16695 
1 1 1    4    8   18 o  141.816   7.7116  2395.46  257.275  2461.90  363.149  2328.50  364.540  143.181   10.821  139.143   11.189 4.037689 15.56574 
1 1 1    4    8   19 o  134.342   7.3581  2150.36  232.534  2236.90  328.269  2063.20  329.439  136.452   10.263  130.905   10.753 5.546921 14.86441 
1 1 1    4    8   20 o  101.205   5.6372  1218.00  134.182  1282.70  189.402  1152.80  190.125  103.536   7.8043   98.036   8.2905 5.500214 11.38593 
1 1 1    4    8   21 o   67.109   3.8879  534.635   61.347  572.500   86.604  496.500   86.912   69.293   5.3338   64.442   5.7726 4.850609 7.859595 
1 1 1    4    8   22 o  166.513   8.9075  3323.02  348.969  3139.50  493.407  3506.70  493.627  160.438   13.139  169.907   12.389 -9.469635 18.05863 
1 1 1    4    8   23 o   63.036   3.6186  471.718   53.638  411.000   75.867  532.400   75.844   58.592   5.5496   66.848   4.8374 -8.256218 7.361985 
1 1 1    4    8   24 o  158.836   8.5363  3025.00  318.995  3033.90  451.213  3016.10  451.042  157.826   12.202  157.347   12.236 0.4788208 17.27991 
1 1 1    4    8   25 o   27.015   2.0389   86.721   12.910   77.400   18.278   96.000   18.238   25.392   3.1137   28.361   2.7581 -2.969494 4.159553 
1 1 1    4    8   26 o   48.929   2.9250  284.144   33.641  260.100   47.570  308.200   47.581   46.647   4.3696   50.857   3.9942 -4.210487 5.920055 
1 1 1    4    8   27 o  125.948   6.7405  1896.46  199.740  1762.60  282.380  2030.50  282.570  120.499   10.015  129.625   9.2932 -9.125687 13.66232 
1 1 1    4    8   28 o   66.616   3.8467  527.539   60.253  449.100   85.259  605.800   85.162   61.129   5.9831   71.231   5.0967 -10.10209 7.859673 
1 1 1    4    8   29 o  129.060   7.0346  1999.06  213.576  1849.60  302.102  2148.40  301.982  122.897   10.511  132.859   9.6925 -9.961563 14.29780 
1 1 1    4    8   30 o   26.687   2.1001   84.729   13.127   69.300   18.613  100.000   18.517   23.947   3.3860   28.938   2.7426 -4.990437 4.357357 
1 1 1    4    8   31 o   93.820   5.1594  1053.69  113.864  1072.90  161.052  1034.50  161.004   94.034   7.3105   92.277   7.4525 1.756355 10.43949 
1 1 1    4    8   32 o   33.437   2.2281  132.920   17.491  141.300   24.781  124.600   24.692   34.374   3.0858   32.232   3.2904 2.142570 4.510952 
1 1 1    4    8   33 o   76.181   4.2907  695.311   76.871  670.900  108.737  719.700  108.688   74.222   6.2626   76.976   6.0276 -2.753746 8.692092 
1 1 1    4    8   34 o   22.136   1.8788   58.425   9.7282   53.300   13.791   63.500   13.724   20.992   2.8563   22.992   2.5720 -1.999529 3.843620 
1 1 1    4    8   35 o   34.276   2.2943  139.996   18.462  147.200   26.116  132.800   26.103   35.005   3.1947   33.199   3.3766 1.805790 4.648418 
1 1 1    4    8   36 o  105.707   5.9102  1371.59  146.936  1385.10  207.867  1358.10  207.729  104.126   8.5289  103.019   8.6184 1.107018 12.12511 
1 1 1    4    8   37 f   67.952   3.8958  556.750   62.250  541.400   88.035  572.100   88.035   66.237   5.6836   68.185   5.5149 -1.948479 7.919420 
1 1 1    4    8   38 o   22.656   1.7831   61.236   9.4626   73.600   13.445   49.100   13.320   24.771   2.3257   20.082   2.8925 4.689459 3.711509 
1 1 1    4    8   39 o   27.646   2.0302   91.288   13.161   96.500   18.635   86.100   18.591   28.281   2.8284   26.660   3.0056 1.621418 4.127105 
1 1 1    4    8   40 o   16.848   1.6884   34.015   6.6267   38.000   9.4130   30.100   9.3308   17.712   2.3052   15.669   2.6139 2.043026 3.485110 
1 1 1    4    8   41 o   22.137   1.8470   58.686   9.5666   61.100   13.568   56.300   13.491   22.437   2.6096   21.501   2.7180 0.9361649 3.767948 
1 1 1    4    8   42 o   54.896   3.2373  367.051   41.779  409.700   59.119  324.500   59.051   57.279   4.4046   50.536   5.0145 6.743027 6.674272 
1 1 1    4    8   43 o   13.708   1.5782   22.648   5.0153   30.300   7.1409   15.200   7.0454   15.809   1.9545   11.005   2.7255 4.804025 3.353843 
1 1 1    4    8   44 o   13.886   1.6024   23.274   5.1579   31.900   7.3490   14.900   7.2409   16.212   1.9594   10.877   2.8019 5.334865 3.419044 
1 1 1    4    8   45 o   8.8824   1.6112   9.6938   3.2550   13.100   4.6424   6.4000   4.5651   10.287   1.9830   7.3440   2.3380 2.943119 3.065694 
1 1 1    4    8   46 o   10.112   1.6833   12.533   3.8782   9.8000   5.3754   15.500   5.6007   8.8662   2.4737   11.159   2.2037 -2.292901 3.312897 
1 1 1    4    8   47 o   13.740   1.6863   22.900   5.3561   28.100   7.5747   17.700   7.5747   15.119   2.1851   11.815   2.7641 3.303761 3.523532 
1 1 1    4    8   48 o   23.108   1.8763   64.644   10.150   74.800   14.394   54.600   14.315   24.639   2.5090   20.822   2.9977 3.816555 3.909136 
1 1 1    4    8   49 o   10.210   1.6828   12.839   3.9155   14.100   5.5618   11.600   5.5132   10.562   2.2956   9.5541   2.4362 1.007520 3.347405 
1 1 1    4    8   50 o   17.793   1.8714   38.735   7.7448   50.800   10.871   26.300   11.036   20.227   2.3178   14.089   3.3637 6.138228 4.084983 
1 1 1    4    8   51 o   18.504   2.6495   43.500   11.247   43.500   11.247   0.0000   0.0000   18.504   2.6495  ?   ?  0.000000 2.649513 
1 1 1    4    8   52 o   22.518   2.8310   64.900   14.720   64.900   14.720   0.0000   0.0000   22.518   2.8310  ?   ?  0.000000 2.830975 
1 1 1    4    8   53 o   26.413   3.0784   91.100   18.840   91.100   18.840   0.0000   0.0000   26.413   3.0784  ?   ?  0.000000 3.078422 
1 1 1    4    8   54 o   14.721   2.6039   28.400   8.7206   28.400   8.7206   0.0000   0.0000   14.721   2.6039  ?   ?  0.000000 2.603886 
1 1 1    4    8   55 o   16.762   2.8290   38.400   10.799   38.400   10.799   0.0000   0.0000   16.762   2.8290  ?   ?  0.000000 2.829048 
1 1 1    4    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9    1 o  168.302   8.8741  3371.55  351.431  3083.70  496.779  3659.90  497.217  160.123   13.258  174.781   12.122 -14.65768 17.96435 
1 1 1    4    9    2 o  156.731   8.2369  2921.19  303.777  2667.10  429.302  3176.00  429.909  149.064   12.306  162.957   11.241 -13.89294 16.66748 
1 1 1    4    9    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9    4 o  259.126   13.631  8032.67  831.161  8662.50  1175.93  7403.90  1174.95  267.605   18.727  246.762   20.346 20.84383 27.65220 
1 1 1    4    9    5 o  185.691   9.8764  4103.04  431.508  4192.70  610.290  4013.40  610.200  187.008   13.920  182.878   14.243 4.130188 19.91514 
1 1 1    4    9    6 o  267.019   13.931  8517.40  875.364  8069.90  1235.96  8967.80  1239.95  258.154   20.442  272.548   19.393 -14.39352 28.17749 
1 1 1    4    9    7 o  224.037   11.445  5975.71  603.440  5431.40  851.688  6524.40  855.109  212.448   17.123  233.316   15.611 -20.86707 23.17072 
1 1 1    4    9    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9    9 o  196.975   9.9370  4612.31  460.707  4117.50  649.723  5112.70  653.369  185.249   14.981  206.848   13.450 -21.59920 20.13277 
1 1 1    4    9   10 o  275.739   14.640  9089.18  949.851  9017.80  1341.72  9160.90  1344.87  272.891   20.982  275.099   20.858 -2.208618 29.58558 
1 1 1    4    9   11 o  345.114   18.699 14335.34  1518.20 15361.70  2145.61 13306.20  2148.51  354.289   25.824  328.613   27.954 25.67667 38.05659 
1 1 1    4    9   12 o  357.563   27.773 15761.80  2326.56 15761.80  2326.56   0.0000   0.0000  357.563   27.773  ?   ?  0.000000 27.77283 
1 1 1    4    9   13 o  275.480   14.824  9091.67  960.737  9338.90  1356.86  8843.10  1360.52  277.267   20.877  269.516   21.558 7.751434 30.01012 
1 1 1    4    9   14 o  313.918   16.914 11865.79  1249.18 13529.00  1766.29 10201.40  1766.92  332.773   22.612  286.998   26.367 45.77542 34.73484 
1 1 1    4    9   15 o  128.103   6.9168  1949.56  208.456  1967.90  294.318  1931.10  295.288  128.312   9.7876  127.080   9.9189 1.232330 13.93488 
1 1 1    4    9   16 o  139.692   7.2096  2319.67  237.006  2157.60  334.178  2483.70  336.187  134.164   10.635  144.133   9.9384 -9.968536 14.55618 
1 1 1    4    9   17 o  184.026   9.8338  4045.26  425.781  4037.30  600.738  4053.30  603.562  182.759   14.027  183.111   14.066 -0.3520660 19.86501 
1 1 1    4    9   18 f  137.632   7.4466  2256.23  241.113  2284.30  340.222  2227.90  341.753  137.893   10.528  136.127   10.718 1.765274 15.02428 
1 1 1    4    9   19 o  217.902   12.119  5723.14  621.133  6186.90  877.107  5256.60  879.729  224.586   16.658  206.139   18.262 18.44730 24.71789 
1 1 1    4    9   20 o  133.752   7.4305  2134.26  233.758  2335.80  330.164  1931.70  331.006  139.351   10.102  126.376   11.208 12.97461 15.08908 
1 1 1    4    9   21 o  200.167   15.597  4924.50  731.383  4924.50  731.383   0.0000   0.0000  200.167   15.597  ?   ?  0.000000 15.59668 
1 1 1    4    9   22 o  211.922   11.283  5424.23  562.587  5845.60  795.966  5003.60  795.271  217.852   15.576  200.715   16.937 17.13701 23.01035 
1 1 1    4    9   23 o   92.112   5.0058  1008.94  108.473  968.500  153.287  1049.50  153.520   89.881   7.2850   93.641   6.9933 -3.760109 10.09841 
1 1 1    4    9   24 o   70.615   3.9625  592.237   65.807  548.100   93.052  636.400   93.080   67.675   5.8813   73.027   5.4367 -5.351555 8.009171 
1 1 1    4    9   25 o  158.797   8.4761  3025.10  316.684  2826.80  447.750  3223.60  447.969  152.044   12.584  162.784   11.733 -10.73959 17.20513 
1 1 1    4    9   26 o   92.431   5.0786  1016.96  110.423  984.400  156.191  1049.50  156.131   90.526   7.3707   93.542   7.1219 -3.015472 10.24935 
1 1 1    4    9   27 o   82.874   4.4653  816.776   87.060  718.900  123.044  914.900  123.200   77.350   6.8059   87.483   6.0001 -10.13268 9.073102 
1 1 1    4    9   28 o  115.641   6.3116  1599.25  171.700  1502.90  242.880  1695.50  242.762  111.251   9.3316  118.402   8.7447 -7.150703 12.78861 
1 1 1    4    9   29 o  105.034   5.7697  1319.00  142.552  1234.50  201.659  1403.40  201.539  100.848   8.5486  107.752   7.9775 -6.903687 11.69269 
1 1 1    4    9   30 o   70.516   4.0529  592.440   67.203  520.900   95.099  663.800   94.979   65.694   6.2039   74.397   5.4442 -8.703590 8.253924 
1 1 1    4    9   31 o  109.771   6.0029  1449.05  155.010  1472.80  219.241  1425.30  219.195  109.665   8.5334  107.804   8.6842 1.860962 12.17515 
1 1 1    4    9   32 o  112.949   6.1870  1541.78  164.387  1583.40  232.525  1500.20  232.430  113.173   8.7694  109.997   9.0281 3.175842 12.58607 
1 1 1    4    9   33 o   46.057   2.8194  252.706   30.515  250.300   43.211  255.100   43.098   45.620   4.0535   46.069   4.0015 -0.4491768 5.695878 
1 1 1    4    9   34 o   67.246   3.7124  541.341   58.721  592.800   83.173  490.200   82.916   69.974   5.0680   63.422   5.5938 6.552132 7.548191 
1 1 1    4    9   35 o   83.949   4.7003  852.238   92.801  818.700  131.216  885.800  131.264   81.173   6.9114   84.624   6.6217 -3.450508 9.571543 
1 1 1    4    9   36 o   99.099   5.5495  1201.60  129.341  1227.90  182.922  1175.30  182.910   98.414   7.9388   96.108   8.1360 2.306046 11.36747 
1 1 1    4    9   37 o   33.422   2.1390  133.158   16.793  158.100   23.816  108.500   23.681   36.315   2.7989   29.917   3.4133 6.398325 4.414109 
1 1 1    4    9   38 o   65.294   3.7490  514.581   57.560  539.900   81.433  489.300   81.373   66.205   5.2520   62.863   5.5384 3.342793 7.632634 
1 1 1    4    9   39 f   60.261   3.4421  438.114   48.778  471.700   69.071  404.700   68.894   61.946   4.7583   57.154   5.1604 4.792702 7.019308 
1 1 1    4    9   40 o   56.470   3.2456  385.101   43.097  432.700   61.012  337.700   60.885   59.337   4.3855   52.066   5.0141 7.270607 6.661395 
1 1 1    4    9   41 f   20.010   1.7919   47.995   8.3770   43.800   11.839   52.200   11.854   18.915   2.7297   20.741   2.4689 -1.826742 3.680589 
1 1 1    4    9   42 o   5.8893   1.5141   4.2775   2.1173   8.5000   3.1033   0.6000   2.8961   8.3109   1.6395   4.2717   1.7654 4.039222 2.409271 
1 1 1    4    9   43 o   27.547   2.0410   91.279   13.182   97.200   18.675   85.400   18.609   28.193   2.8439   26.341   3.0481 1.852217 4.168828 
1 1 1    4    9   44 o   26.301   1.9494   83.250   12.020  101.200   17.047   65.500   16.952   28.836   2.5292   22.922   3.2208 5.914112 4.095165 
1 1 1    4    9   45 o   23.540   1.9088   66.788   10.519   71.900   14.894   61.700   14.858   24.210   2.6484   22.328   2.8855 1.882896 3.916675 
1 1 1    4    9   46 o   27.163   2.0574   89.156   13.099   97.400   18.517   80.900   18.531   28.123   2.8267   25.479   3.1469 2.643335 4.230036 
1 1 1    4    9   47 o   12.565   1.6746   19.204   4.8450   19.600   6.8194   18.800   6.8848   12.523   2.3933   12.241   2.4671 0.2823009 3.437200 
1 1 1    4    9   48 o   29.107   2.0660  102.871   14.107  122.200   20.018   83.800   19.884   31.427   2.7244   25.673   3.3606 5.753965 4.326237 
1 1 1    4    9   49 o   21.481   1.8221   56.018   9.1552   71.000   12.983   41.200   12.912   24.010   2.3189   17.890   3.1727 6.119741 3.929766 
1 1 1    4    9   50 o   13.208   1.7930   21.455   5.4478   23.400   7.5137   19.300   7.9103   13.597   2.4293   12.204   2.8039 1.393181 3.709918 
1 1 1    4    9   51 o   19.368   2.6857   47.700   11.953   47.700   11.953   0.0000   0.0000   19.368   2.6857  ?   ?  0.000000 2.685728 
1 1 1    4    9   52 o   9.8823   2.4244   12.600   5.6147   12.600   5.6147   0.0000   0.0000   9.8823   2.4244  ?   ?  0.000000 2.424364 
1 1 1    4    9   53 o   11.440   2.4971   17.000   6.5562   17.000   6.5562   0.0000   0.0000   11.440   2.4971  ?   ?  0.000000 2.497108 
1 1 1    4    9   54 f   13.627   2.6000   24.500   8.0613   24.500   8.0613   0.0000   0.0000   13.627   2.6000  ?   ?  0.000000 2.600034 
1 1 1    4    9   55 o   6.3090   2.5187   3.5000   5.6603   3.5000   5.6603   0.0000   0.0000   6.3090   2.5187  ?   ?  0.000000 2.518685 
1 1 1    4    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10    0 o  102.711   8.0923  1270.70  193.467  1270.70  193.467  1270.70  193.467  102.711   8.0923  102.711   8.0923 0.000000 0.000000 
1 1 1    4   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10    2 o  360.285   19.330 15658.66  1638.54 15004.20  2317.18 16313.20  2317.31  348.401   28.413  364.061   27.151 -15.66040 39.29967 
1 1 1    4   10    3 o   95.280   5.1947  1076.44  116.434  1084.50  164.714  1068.40  164.611   95.433   7.3662   94.712   7.4196 0.7209473 10.45525 
1 1 1    4   10    4 o  324.024   25.038 12824.00  1900.90 12824.00  1900.90   0.0000   0.0000  324.024   25.038  ?   ?  0.000000 25.03815 
1 1 1    4   10    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10    6 o  243.692   12.689  7079.07  727.635  6651.20  1027.44  7509.60  1030.63  234.874   18.679  249.943   17.574 -15.06946 25.64694 
1 1 1    4   10    7 o  329.508   25.333 13244.50  1956.06 13244.50  1956.06   0.0000   0.0000  329.508   25.333  ?   ?  0.000000 25.33345 
1 1 1    4   10    8 o  163.242   8.6745  3165.52  333.180  3115.80  470.363  3215.60  472.017  161.432   12.435  164.038   12.275 -2.605484 17.47260 
1 1 1    4   10    9 o  327.979   25.248 13139.00  1940.38 13139.00  1940.38   0.0000   0.0000  327.979   25.248  ?   ?  0.000000 25.24812 
1 1 1    4   10   10 o  123.918   6.6441  1821.98  193.706  1794.40  273.593  1849.70  274.291  122.652   9.5210  124.556   9.3949 -1.903381 13.37591 
1 1 1    4   10   11 o  425.503   33.685 22699.70  3356.88 22699.70  3356.88   0.0000   0.0000  425.503   33.685  ?   ?  0.000000 33.68489 
1 1 1    4   10   12 o  403.511   31.867 20367.40  3011.66 20367.40  3011.66   0.0000   0.0000  403.511   31.867  ?   ?  0.000000 31.86669 
1 1 1    4   10   13 o  373.935   20.328 16951.67  1788.21 17465.90  2525.79 16434.90  2532.04  374.768   28.761  362.799   29.820 11.96902 41.42925 
1 1 1    4   10   14 o   66.776   3.8593  528.749   60.595  579.900   85.570  477.300   85.820   69.825   5.2278   63.245   5.8114 6.579266 7.816794 
1 1 1    4   10   15 o  371.786   20.181 16875.86  1765.06 16914.40  2492.71 16837.10  2499.65  365.835   29.096  364.860   29.259 0.9750977 41.26314 
1 1 1    4   10   16 o  433.066   36.185 24799.50  3666.47 24799.50  3666.47   0.0000   0.0000  433.066   36.185  ?   ?  0.000000 36.18506 
1 1 1    4   10   17 o  163.682   8.6589  3195.88  333.488  3120.50  470.472  3272.00  472.783  160.852   12.484  164.799   12.236 -3.947281 17.48107 
1 1 1    4   10   18 o  164.900   8.9868  3249.77  348.615  3371.90  492.175  3126.80  493.862  167.029   12.571  160.640   13.134 6.389709 18.18053 
1 1 1    4   10   19 o   57.632   3.4340  394.147   46.521  424.900   65.634  363.100   65.948   59.722   4.6918   55.127   5.1248 4.595081 6.948173 
1 1 1    4   10   20 o   78.590   4.2539  733.199   78.650  681.600  110.907  785.400  111.552   75.516   6.2764   81.158   5.8602 -5.641678 8.586895 
1 1 1    4   10   21 o  141.915   10.978  2435.40  365.011  2435.40  365.011   0.0000   0.0000  141.915   10.978  ?   ?  0.000000 10.97757 
1 1 1    4   10   22 o  181.410   9.5238  3953.62  406.551  3779.30  573.515  4129.70  576.394  175.638   13.943  183.909   13.364 -8.270737 19.31312 
1 1 1    4   10   23 o  103.158   5.6234  1266.96  136.465  1243.10  193.023  1290.80  192.958  101.724   8.1029  103.704   7.9399 -1.979904 11.34455 
1 1 1    4   10   24 o   77.463   4.2815  712.962   78.012  692.100  110.225  733.900  110.427   76.054   6.1913   78.360   6.0137 -2.306252 8.631161 
1 1 1    4   10   25 o  108.455   5.8844  1401.99  150.137  1381.50  212.255  1422.50  212.396  107.121   8.4600  108.739   8.3353 -1.617592 11.87638 
1 1 1    4   10   26 o  113.861   6.1199  1547.02  163.941  1497.50  231.669  1596.70  232.027  111.368   8.8833  115.097   8.5992 -3.729630 12.36365 
1 1 1    4   10   27 o   69.836   3.8888  579.576   63.874  542.700   90.241  616.600   90.423   67.309   5.7323   71.835   5.3695 -4.526512 7.854310 
1 1 1    4   10   28 o   55.632   3.2168  367.621   42.078  331.200   59.484  404.100   59.531   52.583   4.8451   58.197   4.3637 -5.613380 6.520498 
1 1 1    4   10   29 o   33.366   2.2685  132.259   17.767  116.600   25.134  147.900   25.119   31.176   3.4731   35.211   3.0512 -4.034773 4.623063 
1 1 1    4   10   30 o   40.695   2.5706  196.803   24.575  191.700   34.766  201.900   34.744   40.018   3.7216   41.093   3.6174 -1.074589 5.190028 
1 1 1    4   10   31 o  112.251   6.0671  1517.55  160.221  1365.20  226.510  1670.10  226.662  105.099   9.2201  116.808   8.2711 -11.70893 12.38634 
1 1 1    4   10   32 o   25.193   1.9489   75.551   11.504   74.800   16.282   76.300   16.256   24.957   2.8119   25.214   2.7762 -0.2573566 3.951461 
1 1 1    4   10   33 o   27.249   2.0455   88.417   13.066   80.700   18.499   96.100   18.457   25.876   3.0885   28.315   2.7970 -2.438967 4.166767 
1 1 1    4   10   34 o   71.153   3.9404  607.337   65.947  650.600   93.386  564.300   93.142   73.138   5.4463   67.927   5.8643 5.210434 8.003293 
1 1 1    4   10   35 o   86.611   4.6684  907.475   95.124  1032.50  134.648  782.900  134.405   91.540   6.2668   79.075   7.2798 12.46449 9.605631 
1 1 1    4   10   36 o   68.374   3.8620  562.855   62.099  602.600   87.871  523.200   87.773   70.146   5.3452   65.143   5.7655 5.002800 7.862083 
1 1 1    4   10   37 o   22.807   1.8734   62.094  10.0000   62.800   14.206   61.400   14.080   22.806   2.6896   22.545   2.6983 0.2607880 3.809808 
1 1 1    4   10   38 o   75.411   4.2671  690.567   75.674  728.300  107.067  652.900  106.972   76.451   5.9783   72.126   6.3454 4.325249 8.718075 
1 1 1    4   10   39 o   14.977   1.6505   26.921   5.7404   29.000   8.1767   24.900   8.0609   15.439   2.3142   14.250   2.4860 1.189184 3.396414 
1 1 1    4   10   40 o   29.796   2.1349  106.297   14.921  117.200   21.105   95.400   21.099   31.118   2.9058   27.956   3.2571 3.162041 4.364940 
1 1 1    4   10   41 o   12.193   1.6524   17.985   4.6350   19.800   6.5815   16.200   6.5287   12.684   2.2813   11.413   2.4924 1.270940 3.378825 
1 1 1    4   10   42 o   10.773   1.6463   14.121   4.0550   19.800   5.7495   8.5000   5.7200   12.732   1.9764   8.4116   2.6087 4.320651 3.272806 
1 1 1    4   10   43 o   34.215   2.3310  141.354   18.721  133.300   26.481  149.400   26.469   32.783   3.4737   34.822   3.2569 -2.039215 4.761672 
1 1 1    4   10   44 o   15.932   1.6978   30.626   6.2888   35.600   8.9151   25.700   8.8725   17.058   2.2696   14.334   2.7208 2.723902 3.543134 
1 1 1    4   10   45 o   15.808   1.6892   30.169   6.2081   23.800   8.7585   36.600   8.8008   13.753   2.7922   17.308   2.2033 -3.554552 3.556802 
1 1 1    4   10   46 o   5.0537   1.5908   3.0115   2.1184   5.6000   3.1208   0.8000   2.8847   6.7397   1.8864   4.3311   1.7727 2.408617 2.588679 
1 1 1    4   10   47 o   6.9732   1.7051   6.0509   2.7842   6.8000   3.8179   5.2000   4.0688   7.4099   2.0909   6.7001   2.2130 0.7098641 3.044586 
1 1 1    4   10   48 o   18.536   1.7232   41.584   7.4558   50.900   10.611   32.500   10.478   20.362   2.2443   16.007   2.8779 4.354856 3.649534 
1 1 1    4   10   49 o   19.990   1.7928   48.534   8.3724   56.000   11.894   41.200   11.788   21.255   2.4124   18.014   2.8673 3.241827 3.747151 
1 1 1    4   10   50 o   25.743   2.1295   81.481   12.828  108.100   18.081   54.500   18.203   29.379   2.6342   20.030   3.9887 9.348829 4.780097 
1 1 1    4   10   51 o   15.697   2.5789   31.400   9.2273   31.400   9.2273   0.0000   0.0000   15.697   2.5789  ?   ?  0.000000 2.578920 
1 1 1    4   10   52 o   4.5352   1.8304   1.2000   3.0251   1.2000   3.0251   0.0000   0.0000   4.5352   1.8304  ?   ?  0.000000 1.830433 
1 1 1    4   10   53 o   9.9458   2.4559   12.900   5.7335   12.900   5.7335   0.0000   0.0000   9.9458   2.4559  ?   ?  0.000000 2.455918 
1 1 1    4   10   54 o   2.1077   1.0634  -8.0000   2.4912  -8.0000   2.4912   0.0000   0.0000   2.1077   1.0634  ?   ?  0.000000 1.063386 
1 1 1    4   10   55 o   8.3247   2.8154   9.3000   6.5799   9.3000   6.5799   0.0000   0.0000   8.3247   2.8154  ?   ?  0.000000 2.815411 
1 1 1    4   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11    2 o  311.368   23.888 11792.50  1742.95 11792.50  1742.95   0.0000   0.0000  311.368   23.888  ?   ?  0.000000 23.88760 
1 1 1    4   11    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11    4 o  347.974   18.334 14540.37  1501.20 13315.60  2122.25 15766.90  2123.78  329.488   27.529  359.784   25.156 -30.29605 37.29198 
1 1 1    4   11    5 o  180.965   9.8061  3893.72  417.473  4122.50  589.601  3663.70  591.195  185.648   13.543  174.792   14.453 10.85606 19.80668 
1 1 1    4   11    6 o  114.633   6.2719  1558.77  169.130  1650.10  238.905  1467.00  239.469  117.713   8.6556  110.883   9.2297 6.829628 12.65328 
1 1 1    4   11    7 o  207.482   10.635  5121.49  519.322  4679.40  732.819  5567.50  736.057  197.362   15.858  215.663   14.538 -18.30054 21.51387 
1 1 1    4   11    8 o  261.041   13.368  8132.24  821.258  7392.30  1159.20  8877.90  1163.68  247.184   20.032  271.556   18.253 -24.37189 27.10117 
1 1 1    4   11    9 o  373.645   19.925 16839.77  1751.66 16626.60  2473.89 17054.10  2480.56  367.108   28.768  371.993   28.455 -4.884613 40.46359 
1 1 1    4   11   10 o  246.020   12.838  7224.23  743.226  6579.80  1050.42  7870.30  1051.75  233.167   19.250  255.653   17.528 -22.48538 26.03440 
1 1 1    4   11   11 o  230.669   12.231  6349.54  663.839  6148.60  938.565  6550.70  939.055  225.654   17.758  233.119   17.180 -7.465561 24.70791 
1 1 1    4   11   12 o  220.709   11.619  5811.86  603.409  6218.10  853.757  5406.40  852.942  227.276   16.010  211.519   17.227 15.75731 23.51781 
1 1 1    4   11   13 o  402.536   32.102 20515.90  3026.04 20515.90  3026.04   0.0000   0.0000  402.536   32.102  ?   ?  0.000000 32.10222 
1 1 1    4   11   14 o  319.726   17.111 12367.51  1287.20 12201.30  1817.18 12534.90  1823.60  313.497   24.748  317.943   24.478 -4.446014 34.80865 
1 1 1    4   11   15 o  322.229   17.382 12607.91  1317.69 12588.30  1861.42 12627.60  1865.58  317.333   25.044  317.819   25.062 -0.4851990 35.43037 
1 1 1    4   11   16 o  442.324   37.699 26384.50  3900.00 26384.50  3900.00   0.0000   0.0000  442.324   37.699  ?   ?  0.000000 37.69872 
1 1 1    4   11   17 o  297.223   16.300 10765.87  1139.66 11841.00  1611.00  9688.80  1612.45  307.641   22.328  276.186   24.995 31.45529 33.51577 
1 1 1    4   11   18 o  229.961   11.430  6345.28  620.686  5494.50  875.344  7205.60  880.242  210.974   17.735  243.024   15.419 -32.04988 23.50044 
1 1 1    4   11   19 o   59.074   3.4260  414.059   47.586  417.100   67.198  411.000   67.395   59.146   4.8542   58.702   4.9070 0.4435501 6.902324 
1 1 1    4   11   20 o  130.507   7.1222  2031.78  218.660  2101.50  308.726  1961.60  309.739  132.096   9.9709  127.492   10.379 4.603622 14.39214 
1 1 1    4   11   21 o  190.535   14.837  4459.20  662.283  4459.20  662.283   0.0000   0.0000  190.535   14.837  ?   ?  0.000000 14.83696 
1 1 1    4   11   22 o  190.456   9.9681  4365.21  446.744  4108.60  630.095  4624.60  633.503  182.730   14.728  194.348   13.896 -11.61880 20.24839 
1 1 1    4   11   23 o   57.006   3.3787  385.799   45.279  400.900   63.827  370.500   64.243   57.970   4.7033   55.683   4.9371 2.286797 6.818756 
1 1 1    4   11   24 o   38.640   2.4602  177.187   22.330  170.700   31.548  183.700   31.611   37.812   3.5758   39.252   3.4453 -1.440575 4.965574 
1 1 1    4   11   25 o  161.662   8.7044  3140.48  331.058  3122.90  467.954  3158.10  468.421  159.742   12.506  160.671   12.443 -0.9299774 17.64159 
1 1 1    4   11   26 o  124.324   6.6220  1847.17  193.705  1751.20  273.680  1943.50  274.201  120.203   9.7252  126.831   9.2185 -6.627632 13.40006 
1 1 1    4   11   27 o  143.070   7.7326  2458.60  260.267  2454.20  367.908  2463.00  368.239  141.686   11.085  141.946   11.074 -0.2605743 15.66841 
1 1 1    4   11   28 o  116.278   6.3055  1618.62  172.486  1597.60  243.787  1639.70  244.076  114.679   9.0767  116.228   8.9622 -1.549660 12.75575 
1 1 1    4   11   29 o   71.596   4.0164  610.372   67.629  560.100   95.615  660.700   95.668   68.211   5.9971   74.233   5.4968 -6.021271 8.135125 
1 1 1    4   11   30 o  133.332   7.0343  2147.21  220.686  1922.20  311.790  2373.10  312.406  124.290   10.729  138.879   9.5849 -14.58889 14.38647 
1 1 1    4   11   31 o  109.322   5.9125  1440.15  152.063  1375.10  214.808  1505.50  215.292  105.589   8.6925  110.718   8.2950 -5.128403 12.01525 
1 1 1    4   11   32 o   90.490   5.0453  985.079  107.378  1050.70  151.822  919.400  151.889   92.692   6.9878   86.439   7.5162 6.252678 10.26269 
1 1 1    4   11   33 o   48.907   2.9341  285.238   33.729  293.200   47.737  277.300   47.664   49.350   4.1345   47.957   4.2531 1.393173 5.931484 
1 1 1    4   11   34 o   20.274   1.7624   49.030   8.3534   52.900   11.844   45.200   11.783   20.973   2.4371   19.329   2.6515 1.643932 3.601359 
1 1 1    4   11   35 f   32.632   2.2186  126.940   16.994  132.300   24.056  121.600   24.010   33.169   3.1076   31.760   3.2471 1.408630 4.494575 
1 1 1    4   11   36 o   41.984   2.6381  210.598   26.020  204.100   36.794  217.100   36.803   41.057   3.8397   42.388   3.7144 -1.330994 5.342289 
1 1 1    4   11   37 f   23.831   1.9177   67.803   10.700   64.400   15.140   71.200   15.125   23.066   2.8396   24.300   2.6805 -1.234331 3.904909 
1 1 1    4   11   38 o   69.578   4.0926  587.498   66.945  620.700   94.465  554.000   94.885   70.636   5.7124   66.466   6.1141 4.170502 8.367393 
1 1 1    4   11   39 f   17.550   1.7288   36.896   7.0714   34.600   9.9917   39.200   10.009   16.833   2.5972   17.976   2.4195 -1.142391 3.549589 
1 1 1    4   11   40 o   11.709   1.6258   16.583   4.3739   17.500   6.2465   15.700   6.1266   11.912   2.3040   11.258   2.3791 0.6541710 3.311921 
1 1 1    4   11   41 o   18.849   1.7516   42.631   7.7071   46.900   10.925   38.400   10.875   19.647   2.4050   17.683   2.6891 1.963785 3.607671 
1 1 1    4   11   42 o   29.701   2.0278  105.919   14.137  132.600   20.043   79.500   19.944   33.085   2.5860   25.300   3.4265 7.785616 4.292823 
1 1 1    4   11   43 o   7.6791   1.6951   7.3036   2.9915   6.2000   4.3428   8.3000   4.1266   7.2230   2.2783   8.1695   2.1206 -0.9464641 3.112487 
1 1 1    4   11   44 o   26.991   2.0371   87.848   12.888   91.100   18.233   84.600   18.220   27.213   2.8812   26.169   3.0029 1.043764 4.161577 
1 1 1    4   11   45 o   27.573   2.0409   91.772   13.194   99.100   18.695   84.500   18.624   28.383   2.8269   26.089   3.0826 2.294140 4.182584 
1 1 1    4   11   46 o   15.749   1.7178   30.000   6.2846   36.500   8.8878   23.500   8.8878   17.261   2.2329   13.631   2.8528 3.629842 3.622695 
1 1 1    4   11   47 o   21.703   1.8456   56.953   9.3686   67.000   13.281   47.000   13.218   23.357   2.4440   19.325   2.9933 4.032293 3.864380 
1 1 1    4   11   48 f   36.975   2.4285  167.688   21.086  200.900   29.848  134.600   29.792   39.959   3.1898   32.087   4.0201 7.872120 5.131905 
1 1 1    4   11   49 o   23.424   1.9411   66.855   10.640   76.800   15.043   56.900   15.051   24.822   2.6054   21.088   3.1165 3.734083 4.062123 
1 1 1    4   11   50 o   28.599   3.1666  105.200   21.026  105.200   21.026   0.0000   0.0000   28.599   3.1666  ?   ?  0.000000 3.166613 
1 1 1    4   11   51 o   14.922   2.5515   28.400   8.6675   28.400   8.6675   0.0000   0.0000   14.922   2.5515  ?   ?  0.000000 2.551477 
1 1 1    4   11   52 o   37.116   3.8608  186.900   33.342  186.900   33.342   0.0000   0.0000   37.116   3.8608  ?   ?  0.000000 3.860758 
1 1 1    4   11   53 o   17.719   2.6568   40.700   10.774   40.700   10.774   0.0000   0.0000   17.719   2.6568  ?   ?  0.000000 2.656816 
1 1 1    4   11   54 o   8.0965   2.4766   8.6000   5.1759   8.6000   5.1759   0.0000   0.0000   8.0965   2.4766  ?   ?  0.000000 2.476642 
1 1 1    4   11   55 o   10.152   2.8699   14.700   7.1859   14.700   7.1859   0.0000   0.0000   10.152   2.8699  ?   ?  0.000000 2.869915 
1 1 1    4   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   11   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   12    0 o  123.271   9.6148  1830.10  275.959  1830.10  275.959  1830.10  275.959  123.271   9.6148  123.271   9.6148 0.000000 0.000000 
1 1 1    4   12    1 o  301.925   16.052 10911.15  1140.35 10960.30  1612.73 10862.00  1612.66  300.516   22.899  299.121   23.008 1.395508 32.46105 
1 1 1    4   12    2 o  210.470   10.949  5271.03  542.282  4682.00  766.405  5861.60  767.401  197.298   16.605  221.301   14.770 -24.00278 22.22313 
1 1 1    4   12    3 o  334.632   25.749 13672.20  2019.03 13672.20  2019.03   0.0000   0.0000  334.632   25.749  ?   ?  0.000000 25.74894 
1 1 1    4   12    4 o  258.136   13.379  7949.75  812.727  7431.50  1147.44  8471.50  1151.31  248.028   19.755  265.269   18.496 -17.24135 27.06213 
1 1 1    4   12    5 o  347.186   26.881 14768.30  2186.58 14768.30  2186.58   0.0000   0.0000  347.186   26.881  ?   ?  0.000000 26.88059 
1 1 1    4   12    6 o  321.914   17.439 12439.60  1320.67 13626.10  1866.58 11250.20  1868.85  334.655   23.775  302.872   26.395 31.78320 35.52366 
1 1 1    4   12    7 o  277.908   14.013  9225.20  916.626  8285.40  1293.06 10174.50  1299.58  261.388   21.130  290.507   19.050 -29.11856 28.44959 
1 1 1    4   12    8 o   44.002   2.5797  229.462   26.687  194.900   37.560  264.700   37.926   40.418   3.9874   47.212   3.4252 -6.793732 5.256588 
1 1 1    4   12    9 o  372.305   29.025 17155.20  2531.56 17155.20  2531.56   0.0000   0.0000  372.305   29.025  ?   ?  0.000000 29.02504 
1 1 1    4   12   10 o  279.299   14.869  9345.34  977.117  9184.40  1381.80  9506.30  1381.91  274.740   21.470  279.687   21.079 -4.946411 30.08766 
1 1 1    4   12   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   12   12 o  229.846   12.017  6312.97  649.934  6957.00  919.630  5670.30  918.663  240.136   16.315  216.113   18.170 24.02228 24.41981 
1 1 1    4   12   13 o  445.549   36.730 25914.80  3829.88 25914.80  3829.88   0.0000   0.0000  445.549   36.730  ?   ?  0.000000 36.72951 
1 1 1    4   12   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   12   15 o   92.641   5.1362  1018.94  111.919  1046.80  157.888  990.800  158.670   93.659   7.1939   91.070   7.4434 2.589722 10.35168 
1 1 1    4   12   16 o  250.691   13.704  7590.78  808.163  8368.10  1142.20  6811.50  1143.64  260.795   18.671  233.955   20.922 26.84003 28.04147 
1 1 1    4   12   17 o   52.227   3.1882  323.643   39.131  376.700   55.265  270.300   55.414   56.271   4.1892   47.513   5.0148 8.757267 6.534348 
1 1 1    4   12   18 o  217.758   11.652  5713.87  597.004  6867.90  844.376  4560.30  844.206  237.188   15.155  191.270   18.940 45.91791 24.25705 
1 1 1    4   12   19 o  180.139   9.6561  3892.36  409.248  3857.30  578.004  3927.60  579.527  177.856   13.872  179.516   13.776 -1.660400 19.55064 
1 1 1    4   12   20 o   94.830   5.2273  1069.42  116.600  1086.90  164.587  1051.80  165.210   95.270   7.3735   93.681   7.5320 1.588531 10.54034 
1 1 1    4   12   21 o  127.787   6.9980  1949.13  210.364  2302.30  297.402  1595.50  297.596  138.405   9.1514  114.581   11.140 23.82410 14.41685 
1 1 1    4   12   22 o  113.457   6.3467  1534.97  169.355  1650.00  239.066  1419.10  239.944  117.149   8.7042  108.411   9.4679 8.737785 12.86098 
1 1 1    4   12   23 o   54.271   3.2503  349.652   41.462  364.500   58.436  334.600   58.837   55.280   4.5161   52.917   4.7596 2.363110 6.561178 
1 1 1    4   12   24 o   78.832   4.1752  738.185   77.444  677.200  109.066  800.200  109.983   75.212   6.1962   81.875   5.7247 -6.663483 8.435940 
1 1 1    4   12   25 o  246.744   13.056  7460.31  757.975  6783.50  1071.04  8139.40  1072.84  229.775   19.937  253.652   18.029 -23.87727 26.88011 
1 1 1    4   12   26 o  188.257   9.8117  4285.11  434.663  3913.70  613.976  4658.30  615.439  177.255   14.804  194.309   13.497 -17.05367 20.03320 
1 1 1    4   12   27 f   73.521   4.1088  642.929   71.047  628.000  100.406  657.900  100.547   72.370   5.9274   74.109   5.7917 -1.738655 8.287165 
1 1 1    4   12   28 o   80.047   4.4151  763.256   83.131  730.400  117.487  796.200  117.643   77.909   6.4440   81.428   6.1639 -3.519150 8.917347 
1 1 1    4   12   29 o  118.274   6.3378  1680.66  176.362  1561.90  249.215  1799.80  249.613  112.821   9.4413  121.469   8.7612 -8.648170 12.88010 
1 1 1    4   12   30 o   87.647   4.8018  919.029   99.003  879.600  139.885  958.600  140.137   85.106   7.0233   88.971   6.7198 -3.865082 9.720222 
1 1 1    4   12   31 o   52.243   3.1088  325.110   38.179  328.900   53.923  321.300   54.064   52.319   4.4057   51.693   4.4732 0.6259422 6.278484 
1 1 1    4   12   32 o   38.117   2.4690  172.956   22.103  175.500   31.224  170.400   31.293   38.241   3.4965   37.666   3.5606 0.5755043 4.990314 
1 1 1    4   12   33 o   41.010   2.5592  200.370   24.660  188.300   34.832  212.500   34.917   39.538   3.7767   42.069   3.5480 -2.531200 5.181886 
1 1 1    4   12   34 o   46.186   2.8137  254.688   30.541  247.000   43.157  262.400   43.225   45.202   4.0875   46.633   3.9630 -1.430218 5.693204 
1 1 1    4   12   35 o   59.937   3.5820  431.448   50.465  465.900   71.216  396.700   71.520   61.841   4.9174   56.855   5.3917 4.986073 7.297344 
1 1 1    4   12   36 o   25.238   1.9596   76.001   11.587   75.000   16.396   77.000   16.377   24.927   2.8359   25.270   2.7911 -0.3426991 3.979011 
1 1 1    4   12   37 o   77.554   4.4064  730.698   80.363  802.600  113.652  658.800  113.648   80.323   6.0362   72.283   6.7358 8.039330 9.044727 
1 1 1    4   12   38 o   11.277   1.6323   15.387   4.2204   16.000   6.0334   14.800   5.9057   11.391   2.3219   10.943   2.3552 0.4478865 3.307280 
1 1 1    4   12   39 o   44.445   2.7253  237.203   28.463  266.100   40.286  208.400   40.221   46.772   3.6773   41.170   4.1958 5.601620 5.579190 
1 1 1    4   12   40 o   33.647   2.2618  135.770   17.866  149.800   25.293  121.800   25.239   35.126   3.0805   31.534   3.4455 3.591831 4.621817 
1 1 1    4   12   41 o   20.845   1.8285   52.152   8.9095   53.300   12.588   51.000   12.612   20.902   2.6070   20.421   2.6801 0.4813080 3.738955 
1 1 1    4   12   42 o   25.276   1.9783   76.803   11.713   80.500   16.558   73.100   16.572   25.664   2.7765   24.394   2.9359 1.270287 4.040867 
1 1 1    4   12   43 f   28.274   2.0700   96.318   13.724  105.200   19.444   87.500   19.374   29.304   2.8459   26.593   3.1463 2.711035 4.242508 
1 1 1    4   12   44 o   16.723   1.7275   33.740   6.7235   35.200   9.5405   32.300   9.4768   16.906   2.4621   16.151   2.5710 0.7548790 3.559784 
1 1 1    4   12   45 o   18.847   1.7742   42.841   7.8032   48.200   11.045   37.500   11.026   19.835   2.4074   17.351   2.7855 2.484711 3.681618 
1 1 1    4   12   46 o   37.361   2.4847  170.005   21.796  180.300   30.816  159.700   30.833   37.938   3.4786   35.538   3.7298 2.400120 5.100179 
1 1 1    4   12   47 o   32.122   2.1996  125.475   16.584  151.500   23.487   99.600   23.419   34.965   2.8699   27.898   3.6418 7.067299 4.636723 
1 1 1    4   12   48 o   25.694   2.0163   80.350   12.135   88.000   17.161   72.700   17.161   26.552   2.7783   23.948   3.1081 2.604370 4.168792 
1 1 1    4   12   49 o   16.149   1.7898   31.854   6.7103   33.300   9.3222   30.300   9.6669   16.267   2.5074   15.406   2.7585 0.8612862 3.727794 
1 1 1    4   12   50 o   3.8042   1.5387   0.7740   2.1425   1.3000   2.6588  -0.2000   3.6181   4.3722   1.7323   4.4221   1.9063 -0.4989910E-01 2.575826 
1 1 1    4   12   51 o   4.4248   1.7256   1.5000   2.6022   1.5000   2.6022   0.0000   0.0000   4.4248   1.7256  ?   ?  0.000000 1.725619 
1 1 1    4   12   52 o   22.621   2.8583   66.000   14.927   66.000   14.927   0.0000   0.0000   22.621   2.8583  ?   ?  0.000000 2.858305 
1 1 1    4   12   53 o   8.0689   2.3516   8.4000   4.7551   8.4000   4.7551   0.0000   0.0000   8.0689   2.3516  ?   ?  0.000000 2.351590 
1 1 1    4   12   54 o   12.216   2.6996   20.300   7.5798   20.300   7.5798   0.0000   0.0000   12.216   2.6996  ?   ?  0.000000 2.699581 
1 1 1    4   12   55 o   13.118   2.9514   24.700   8.9212   24.700   8.9212   0.0000   0.0000   13.118   2.9514  ?   ?  0.000000 2.951417 
1 1 1    4   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   13    0 o  310.469   23.964 11724.70  1732.77 11724.70  1732.77 11724.70  1732.77  310.469   23.964  310.469   23.964 0.000000 0.000000 
1 1 1    4   13    1 o  395.116   19.318 18740.07  1802.41 14882.50  2542.73 22635.90  2555.30  346.228   31.444  431.097   25.212 -84.86832 40.30322 
1 1 1    4   13    2 o   46.888   2.7823  260.576   30.668  289.100   43.428  232.200   43.315   49.325   3.7568   44.129   4.2076 5.195244 5.640730 
1 1 1    4   13    3 o   89.930   4.2353  955.651   89.939  736.900  126.467  1179.50  127.932   78.618   6.8816   99.734   5.4528 -21.11571 8.780059 
1 1 1    4   13    4 o  308.273   16.619 11394.85  1205.27 12411.80  1703.67 10375.90  1705.34  319.697   22.715  291.284   25.037 28.41278 33.80553 
1 1 1    4   13    5 o  261.045   12.851  8108.11  792.190  7059.50  1116.92  9169.60  1123.76  241.557   19.754  276.223   17.316 -34.66545 26.26929 
1 1 1    4   13    6 o  388.609   20.660 18245.91  1889.06 17770.40  2667.65 18724.20  2675.44  378.731   30.076  389.261   29.322 -10.52988 42.00438 
1 1 1    4   13    7 o  272.768   14.042  8894.09  901.374  8251.40  1272.06  9542.20  1277.42  260.763   20.833  281.028   19.368 -20.26566 28.44485 
1 1 1    4   13    8 o  388.582   19.856 18240.32  1815.84 16378.40  2562.56 20118.10  2573.46  362.818   30.184  404.269   27.115 -41.45132 40.57483 
1 1 1    4   13    9 o  220.283   11.876  5790.39  615.445  6088.40  869.515  5491.20  871.230  224.816   16.494  213.187   17.460 11.62936 24.01862 
1 1 1    4   13   10 o  355.826   18.777 15305.87  1572.08 18433.60  2223.99 12182.20  2222.54  387.539   24.428  311.294   30.632 76.24460 39.17958 
1 1 1    4   13   11 o  150.840   7.9582  2705.23  282.457  2485.20  399.205  2925.80  399.705  143.931   11.851  156.426   10.889 -12.49596 16.09397 
1 1 1    4   13   12 o  182.523   9.7183  3972.40  417.353  4140.70  590.312  3804.20  590.141  185.511   13.570  177.615   14.189 7.895844 19.63337 
1 1 1    4   13   13 o  254.464   13.772  7788.56  824.441  8275.20  1165.20  7300.70  1166.67  260.145   19.102  243.643   20.468 16.50267 27.99665 
1 1 1    4   13   14 o  113.731   6.2669  1537.42  167.653  1629.80  236.693  1444.40  237.504  116.767   8.6457  109.785   9.2475 6.981789 12.65957 
1 1 1    4   13   15 o  215.138   11.740  5560.17  594.149  6013.80  839.497  5104.90  841.011  222.118   16.115  203.916   17.639 18.20174 23.89259 
1 1 1    4   13   16 o  312.708   16.551 11949.56  1217.82 13377.50  1724.41 10528.70  1720.13  326.317   22.517  286.764   25.674 39.55307 34.14902 
1 1 1    4   13   17 o   45.546   2.7774  246.083   29.728  272.900   42.174  219.600   41.911   47.886   3.7599   42.875   4.1933 5.011303 5.632149 
1 1 1    4   13   18 o   48.882   2.9745  283.505   34.171  315.500   48.284  251.400   48.367   51.482   4.0033   45.858   4.5255 5.623428 6.042078 
1 1 1    4   13   19 o  112.408   6.1179  1504.63  161.779  1512.40  228.336  1496.80  229.246  112.219   8.6845  111.617   8.7684 0.6017838 12.34117 
1 1 1    4   13   20 o   77.722   4.3871  717.663   80.187  829.700  113.344  605.400  113.458   83.408   5.7906   71.019   6.8504 12.38890 8.969922 
1 1 1    4   13   21 o  167.079   9.1260  3351.50  358.686  3474.20  506.530  3228.10  507.992  168.785   12.804  162.434   13.362 6.350983 18.50693 
1 1 1    4   13   22 o   95.764   5.2970  1091.36  119.317  1133.80  168.520  1048.70  168.960   97.257   7.3931   93.449   7.7261 3.808533 10.69354 
1 1 1    4   13   23 o  179.692   9.9756  3892.98  421.617  4277.90  595.695  3506.60  596.820  186.769   13.600  168.225   15.188 18.54376 20.38740 
1 1 1    4   13   24 o   84.153   4.8295  842.714   95.568  931.000  134.914  753.800  135.394   88.193   6.5246   79.157   7.3266 9.036835 9.810672 
1 1 1    4   13   25 o   91.208   4.9313  990.139  105.814  954.000  149.212  1026.70  150.079   89.127   7.1499   92.529   6.9189 -3.402214 9.949481 
1 1 1    4   13   26 o  250.981   14.176  7818.79  836.737  8300.40  1181.99  7335.00  1184.66  252.698   19.971  235.772   21.515 16.92609 29.35581 
1 1 1    4   13   27 o   94.165   5.1705  1057.75  114.529  1049.70  161.938  1065.80  161.998   93.304   7.4110   94.036   7.3540 -0.7319565 10.44055 
1 1 1    4   13   28 o   57.253   3.1959  389.516   43.034  346.600   60.729  432.800   60.989   53.761   4.8355   60.207   4.3185 -6.446091 6.483156 
1 1 1    4   13   29 o   75.334   4.1749  676.785   73.977  639.300  104.529  714.400  104.710   72.787   6.1389   77.058   5.7970 -4.270447 8.443409 
1 1 1    4   13   30 o   99.778   5.3115  1195.08  124.695  1069.40  176.155  1321.30  176.536   93.364   8.0695  104.222   7.2176 -10.85843 10.82637 
1 1 1    4   13   31 o   76.320   4.3100  697.578   77.357  725.800  109.345  669.300  109.453   77.338   6.0353   74.154   6.3107 3.183601 8.732121 
1 1 1    4   13   32 o  108.611   5.9846  1433.01  152.895  1400.40  216.092  1465.70  216.362  105.714   8.7348  108.308   8.5288 -2.593842 12.20805 
1 1 1    4   13   33 o   58.140   3.4503  404.536   47.156  420.400   66.509  388.500   66.870   58.902   4.8241   56.534   5.0627 2.367657 6.993066 
1 1 1    4   13   34 o   56.544   3.3125  382.891   44.036  376.600   62.232  389.200   62.321   55.653   4.7819   56.609   4.7048 -0.9554596 6.708321 
1 1 1    4   13   35 o   45.704   2.8008  249.694   30.082  243.300   42.521  256.100   42.562   44.811   4.0626   46.013   3.9557 -1.202320 5.670340 
1 1 1    4   13   36 o   43.549   2.6384  226.665   27.004  263.100   38.234  190.400   38.145   46.728   3.4903   39.533   4.1480 7.194595 5.421047 
1 1 1    4   13   37 o   50.593   2.9445  306.858   35.025  353.500   49.609  260.500   49.457   54.012   3.9162   46.087   4.6062 7.924133 6.045986 
1 1 1    4   13   38 o   64.359   3.7341  501.598   56.505  539.200   79.912  464.000   79.908   65.996   5.1691   60.941   5.6161 5.055561 7.632808 
1 1 1    4   13   39 o   58.829   3.4816  419.665   48.151  432.800   68.056  406.500   68.135   58.981   4.9317   57.042   5.1127 1.938690 7.103613 
1 1 1    4   13   40 o   48.031   2.9110  278.808   32.860  301.100   46.515  256.600   46.427   49.415   4.0212   45.413   4.3840 4.002701 5.948865 
1 1 1    4   13   41 o   14.556   1.6712   25.538   5.6398   30.100   7.9867   21.000   7.9650   15.709   2.2145   12.974   2.6883 2.735177 3.482960 
1 1 1    4   13   42 o   17.696   1.7435   37.690   7.1910   39.800   10.194   35.600   10.145   18.027   2.4590   16.992   2.6120 1.034313 3.587372 
1 1 1    4   13   43 o   33.483   2.2696  135.458   17.839  151.300   25.262  119.700   25.195   35.069   3.0818   30.978   3.5060 4.091579 4.667884 
1 1 1    4   13   44 o   50.724   3.0177  315.551   35.981  376.000   50.948  255.400   50.823   54.655   3.9749   44.248   4.9488 10.40636 6.347488 
1 1 1    4   13   45 o   41.702   2.6814  212.304   26.265  237.600   37.142  187.000   37.147   43.536   3.6465   38.244   4.1815 5.291702 5.548145 
1 1 1    4   13   46 o   26.873   2.0034   87.304   12.621  101.100   17.879   73.600   17.819   28.679   2.6708   24.222   3.1933 4.457260 4.162914 
1 1 1    4   13   47 o   12.865   1.6424   20.136   4.8757   28.600   6.9217   11.800   6.8691   15.287   1.9628   9.6807   2.8278 5.606127 3.442305 
1 1 1    4   13   48 o   20.894   1.8913   53.111   9.2301   63.100   13.014   43.000   13.093   22.560   2.4841   18.307   3.1418 4.253170 4.005215 
1 1 1    4   13   49 o   16.633   1.7677   33.770   6.8364   35.800   9.6207   31.700   9.7162   16.873   2.4895   15.773   2.7060 1.099172 3.676974 
1 1 1    4   13   50 o   32.395   3.4318  137.000   25.853  137.000   25.853   0.0000   0.0000   32.395   3.4318  ?   ?  0.000000 3.431849 
1 1 1    4   13   51 f   14.250   2.5558   26.000   8.2841   26.000   8.2841   0.0000   0.0000   14.250   2.5558  ?   ?  0.000000 2.555755 
1 1 1    4   13   52 o   15.845   2.5974   32.300   9.3818   32.300   9.3818   0.0000   0.0000   15.845   2.5974  ?   ?  0.000000 2.597401 
1 1 1    4   13   53 o   6.2254   2.1071   4.6000   3.6856   4.6000   3.6856   0.0000   0.0000   6.2254   2.1071  ?   ?  0.000000 2.107102 
1 1 1    4   13   54 o  ?   ?  -11.9000   1.0481 -11.9000   1.0481   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   13   55 o   9.3364   2.9456   12.600   7.2591   12.600   7.2591   0.0000   0.0000   9.3364   2.9456  ?   ?  0.000000 2.945629 
1 1 1    4   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14    0 o   53.950   4.6127  351.300   57.776  351.300   57.776  351.300   57.776   53.950   4.6127   53.950   4.6127 -0.000000 0.000000 
1 1 1    4   14    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14    2 o  147.454   7.0682  2573.26  246.110  1985.70  347.409  3165.20  348.698  128.767   11.548  163.159   9.0866 -34.39214 14.69446 
1 1 1    4   14    3 o  186.079   9.8239  4118.62  430.132  4020.20  607.116  4217.80  609.488  183.107   14.151  187.636   13.854 -4.529922 19.80354 
1 1 1    4   14    4 o  290.579   15.483 10115.14  1058.57 11748.20  1497.05  8482.10  1497.04  311.598   20.460  263.164   24.367 48.43375 31.81746 
1 1 1    4   14    5 f  298.059   16.123 10657.39  1130.56 11328.20  1597.50  9984.30  1600.22  305.155   22.325  285.752   23.936 19.40332 32.73085 
1 1 1    4   14    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14    7 o  328.172   17.239 12957.05  1331.26 12398.40  1879.32 13519.70  1886.06  317.629   25.265  332.284   24.204 -14.65491 34.98779 
1 1 1    4   14    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14    9 o  426.962   34.297 23249.50  3428.66 23249.50  3428.66   0.0000   0.0000  426.962   34.297  ?   ?  0.000000 34.29674 
1 1 1    4   14   10 o  205.043   10.882  5019.08  524.994  4832.70  742.205  5205.70  742.703  199.959   15.849  207.751   15.246 -7.792084 21.99134 
1 1 1    4   14   11 o  277.384   14.644  9260.25  955.775 10050.40  1352.31  8471.60  1351.03  286.650   20.106  262.143   22.030 24.50729 29.82534 
1 1 1    4   14   12 o  109.342   5.9247  1419.95  152.403  1430.20  215.504  1409.70  215.557  109.413   8.4054  108.612   8.4717 0.8013077 11.93398 
1 1 1    4   14   13 o  233.887   12.671  6575.58  697.190  6819.40  984.803  6330.60  987.151  236.192   17.788  227.179   18.564 9.012161 25.71025 
1 1 1    4   14   14 o  288.044   15.252 10063.86  1033.69  8933.10  1460.32 11199.40  1463.41  266.548   23.439  300.574   20.745 -34.02539 31.30136 
1 1 1    4   14   15 o  378.776   20.180 17793.79  1798.41 20102.80  2547.19 15498.70  2539.50  394.726   27.500  341.521   31.858 53.20483 42.08477 
1 1 1    4   14   16 o  180.555   9.8581  3907.97  418.715  4102.70  591.209  3712.00  593.101  183.735   13.726  174.418   14.533 9.317001 19.98987 
1 1 1    4   14   17 o  117.634   6.4327  1647.82  178.007  1697.30  251.314  1598.00  252.169  118.912   9.0173  115.290   9.3431 3.621590 12.98474 
1 1 1    4   14   18 o  143.397   7.8080  2456.71  263.392  2584.00  372.117  2328.90  372.867  146.291   10.849  138.653   11.492 7.638443 15.80430 
1 1 1    4   14   19 o   72.494   4.0886  624.074   69.704  674.300   98.552  573.800   98.600   75.184   5.5911   69.250   6.0917 5.934143 8.268590 
1 1 1    4   14   20 o   27.264   1.9896   88.287   12.720  107.900   18.018   68.800   17.961   30.106   2.5588   23.898   3.2684 6.208086 4.150919 
1 1 1    4   14   21 o  136.839   7.5279  2238.93  242.311  2513.70  342.445  1963.40  342.914  144.312   10.113  127.016   11.560 17.29684 15.35894 
1 1 1    4   14   22 o  172.191   9.3525  3565.22  378.852  3871.20  535.583  3258.80  535.974  178.062   12.824  162.739   14.086 15.32375 19.04904 
1 1 1    4   14   23 o  171.204   9.4302  3529.43  379.771  4051.20  536.832  3006.70  537.322  182.124   12.559  155.756   14.787 26.36861 19.40055 
1 1 1    4   14   24 o  124.543   6.9917  1855.58  204.789  2247.80  289.419  1462.30  289.812  136.544   9.0271  109.280   11.399 27.26421 14.54020 
1 1 1    4   14   25 o   39.220   2.5405  182.640   23.401  195.300   33.042  169.900   33.147   40.466   3.4922   37.687   3.7755 2.779366 5.142947 
1 1 1    4   14   26 f  106.705   5.8310  1360.06  146.366  1362.00  206.676  1358.10  207.311  106.154   8.3114  105.990   8.3508 0.1648102 11.78198 
1 1 1    4   14   27 o   34.439   2.3149  140.889   18.716  159.500   26.476  122.300   26.461   36.572   3.0948   31.926   3.5711 4.645926 4.725534 
1 1 1    4   14   28 o  110.946   6.0972  1477.45  159.123  1521.60  224.895  1433.20  225.173  111.712   8.5914  108.281   8.8848 3.430351 12.35923 
1 1 1    4   14   29 o   47.111   2.8510  263.942   31.567  258.200   44.610  269.700   44.674   46.412   4.1130   47.457   4.0245 -1.045101 5.754453 
1 1 1    4   14   30 o   46.434   2.7720  256.536   30.255  241.900   42.623  271.400   42.953   44.882   4.0658   47.599   3.8546 -2.716724 5.602586 
1 1 1    4   14   31 o   50.848   3.0237  308.179   36.142  301.400   51.036  315.000   51.190   50.028   4.3638   51.172   4.2755 -1.143951 6.109218 
1 1 1    4   14   32 o  108.459   5.9444  1430.88  151.663  1370.80  214.269  1491.20  214.701  104.372   8.7753  109.167   8.3930 -4.794762 12.14283 
1 1 1    4   14   33 o   51.918   3.0668  322.119   37.431  306.300   52.884  338.000   52.987   50.273   4.5025   52.893   4.2790 -2.619598 6.211459 
1 1 1    4   14   34 o   16.885   1.6564   34.079   6.5194   42.200   9.2608   26.100   9.1793   18.742   2.1303   14.573   2.7686 4.168704 3.493355 
1 1 1    4   14   35 o   85.089   4.8311  880.692   96.670  915.200  136.629  846.100  136.795   85.522   6.8224   81.996   7.1362 3.525536 9.872679 
1 1 1    4   14   36 f   35.692   2.3542  152.134   19.730  168.400   27.916  135.900   27.889   37.389   3.1925   33.467   3.5847 3.921486 4.800249 
1 1 1    4   14   37 o   75.305   4.3126  690.011   76.369  709.300  107.970  670.700  108.033   75.238   6.1305   73.013   6.3287 2.224411 8.811076 
1 1 1    4   14   38 o   43.080   2.7196  222.723   27.524  236.400   38.892  209.000   38.959   44.066   3.7740   41.322   4.0445 2.744297 5.531818 
1 1 1    4   14   39 o   52.704   3.1386  335.819   38.884  370.000   55.015  301.700   54.965   54.789   4.2865   49.183   4.7936 5.606422 6.430609 
1 1 1    4   14   40 o   5.6477   1.6334   3.8697   2.3019   3.2000   3.3059   4.5000   3.2072   5.5885   1.9895   6.1914   1.9584 -0.6029520 2.791722 
1 1 1    4   14   41 o   19.144   1.7609   44.029   7.8713   48.800   11.157   39.300   11.107   20.022   2.4080   17.860   2.7195 2.162594 3.632360 
1 1 1    4   14   42 o   30.691   2.1613  113.526   15.564  125.900   22.031  101.200   21.989   32.058   2.9432   28.571   3.3213 3.487730 4.437695 
1 1 1    4   14   43 o   44.975   2.8103  246.732   29.697  272.100   42.012  221.400   41.983   46.599   3.8526   41.693   4.3273 4.905693 5.793760 
1 1 1    4   14   44 o   25.654   1.9971   79.400   12.003   79.000   16.967   79.800   16.982   25.299   2.8922   25.433   2.8783 -0.1341705 4.080372 
1 1 1    4   14   45 o   6.5640   1.6507   5.3458   2.5560   6.0000   3.7900   4.8000   3.4617   7.0258   2.1128   6.3802   2.0364 0.6455331 2.934445 
1 1 1    4   14   46 o   44.011   2.7914  238.229   28.859  250.000   40.849  226.500   40.777   44.222   3.9536   41.895   4.1776 2.326733 5.751740 
1 1 1    4   14   47 o   13.083   1.6361   20.821   4.9438   28.000   7.0309   13.800   6.9530   15.099   2.0227   10.401   2.7784 4.698869 3.436702 
1 1 1    4   14   48 o   17.723   1.7591   38.184   7.2646   40.900   10.305   35.500   10.243   18.105   2.4752   16.772   2.6762 1.333420 3.645393 
1 1 1    4   14   49 o   29.289   2.2534  105.757   15.465  122.500   21.770   88.700   21.974   31.040   3.0079   25.912   3.6959 5.127682 4.765203 
1 1 1    4   14   50 o   12.370   2.4960   19.600   7.0395   19.600   7.0395   0.0000   0.0000   12.370   2.4960  ?   ?  0.000000 2.495974 
1 1 1    4   14   51 o   35.566   3.7082  169.300   30.684  169.300   30.684   0.0000   0.0000   35.566   3.7082  ?   ?  0.000000 3.708184 
1 1 1    4   14   52 o   13.585   2.5363   23.900   7.8370   23.900   7.8370   0.0000   0.0000   13.585   2.5363  ?   ?  0.000000 2.536280 
1 1 1    4   14   53 o   14.032   2.6747   26.200   8.5387   26.200   8.5387   0.0000   0.0000   14.032   2.6747  ?   ?  0.000000 2.674687 
1 1 1    4   14   54 o   4.1365   1.8615  -1.4000   3.8162  -1.4000   3.8162   0.0000   0.0000   4.1365   1.8615  ?   ?  0.000000 1.861495 
1 1 1    4   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   15    0 o  425.840   33.323 22400.30  3303.61 22400.30  3303.61 22400.30  3303.61  425.840   33.323  425.840   33.323 0.000000 0.000000 
1 1 1    4   15    1 o  283.172   13.727  9560.21  917.878  7589.20  1296.21 11542.60  1299.95  249.431   22.240  309.623   17.856 -60.19203 28.52130 
1 1 1    4   15    2 o  330.062   17.680 13108.95  1372.99 13181.80  1939.70 13035.80  1943.70  327.817   25.252  325.888   25.460 1.928741 35.85938 
1 1 1    4   15    3 o  341.856   17.550 14059.61  1411.92 12804.70  1992.77 15324.60  2000.76  322.422   26.406  354.097   24.071 -31.67484 35.73055 
1 1 1    4   15    4 o  294.670   15.763 10419.67  1092.82 10496.60  1543.81 10342.40  1547.17  293.356   22.457  291.087   22.688 2.268372 31.92253 
1 1 1    4   15    5 o  240.914   12.792  6935.08  725.114  6861.30  1023.63  7009.40  1027.31  238.139   18.345  240.755   18.205 -2.615601 25.84447 
1 1 1    4   15    6 o  149.800   8.1607  2667.80  287.582  2910.70  406.326  2424.00  407.079  156.053   11.099  142.136   12.248 13.91647 16.52895 
1 1 1    4   15    7 o  303.259   16.286 11072.31  1161.96 12441.20  1643.10  9702.90  1643.42  319.055   21.942  280.095   25.114 38.95993 33.34948 
1 1 1    4   15    8 o  377.934   20.571 17404.57  1828.88 17816.70  2584.01 16990.90  2588.86  376.500   29.295  366.983   30.141 9.517212 42.03193 
1 1 1    4   15    9 o  234.661   12.279  6592.49  678.039  6283.70  956.723  6904.10  961.075  227.298   17.972  238.612   17.172 -11.31442 24.85657 
1 1 1    4   15   10 o  234.277   12.149  6575.20  669.770  7465.80  947.785  5686.80  946.612  248.303   16.254  215.641   18.777 32.66203 24.83536 
1 1 1    4   15   11 o  102.202   5.1462  1239.27  123.799  1442.10  175.482  1038.30  174.677  110.086   6.7836   93.172   8.0175 16.91385 10.50222 
1 1 1    4   15   12 o   69.175   3.8788  567.579   63.104  582.000   89.465  553.300   89.021   69.896   5.4640   68.126   5.5827 1.769531 7.811637 
1 1 1    4   15   13 o   19.790   1.8258   46.651   8.4361   37.200   11.963   56.000   11.898   17.495   3.0039   21.643   2.3667 -4.147646 3.824179 
1 1 1    4   15   14 o  121.788   6.3642  1764.37  182.390  1617.80  257.305  1912.40  258.578  116.067   9.4707  126.408   8.7160 -10.34138 12.87096 
1 1 1    4   15   15 o  161.357   8.8932  3114.17  337.543  3573.90  476.959  2652.90  477.758  172.075   11.810  147.493   13.881 24.58199 18.22488 
1 1 1    4   15   16 o   71.392   3.9988  604.950   67.142  590.600   94.790  619.400   95.117   70.337   5.7576   72.058   5.6349 -1.721626 8.056167 
1 1 1    4   15   17 o   75.910   4.0856  683.972   72.965  617.300  102.823  751.600  103.557   71.855   6.1183   79.415   5.5572 -7.560501 8.265362 
1 1 1    4   15   18 o  151.230   7.9726  2734.15  283.704  3279.90  401.421  2189.50  401.017  165.003   10.355  133.917   12.839 31.08594 16.49429 
1 1 1    4   15   19 o   27.811   2.0846   91.898   13.590  103.000   19.179   80.700   19.261   29.385   2.7978   25.925   3.2153 3.460104 4.262099 
1 1 1    4   15   20 o  124.801   6.7740  1858.56  198.883  2148.00  281.235  1569.00  281.292  133.688   8.9606  113.738   10.595 19.94939 13.87635 
1 1 1    4   15   21 o  134.222   7.0327  2151.23  222.122  2693.10  314.307  1610.60  313.948  149.729   8.9303  114.860   11.740 34.86829 14.75064 
1 1 1    4   15   22 o  126.031   6.8451  1897.11  202.949  2190.30  286.983  1603.80  287.044  134.887   9.0626  114.867   10.706 20.02022 14.02663 
1 1 1    4   15   23 o  183.302   9.4666  4048.93  408.355  5072.70  577.944  3028.30  577.058  203.984   12.052  155.529   15.938 48.45500 19.98148 
1 1 1    4   15   24 o  210.105   11.900  5386.76  587.956  6365.80  830.897  4404.90  832.094  225.826   15.679  185.077   19.325 40.74847 24.88496 
1 1 1    4   15   25 o   50.066   3.1182  297.792   36.681  333.600   51.737  261.600   52.013   52.879   4.1774   46.700   4.7843 6.179665 6.351330 
1 1 1    4   15   26 o  141.037   7.8993  2397.09  262.020  2621.30  370.070  2171.70  371.036  146.251   10.792  132.478   11.991 13.77295 16.13210 
1 1 1    4   15   27 o   37.296   3.4657  166.300   30.173  166.300   30.173   0.0000   0.0000   37.296   3.4657  ?   ?  0.000000 3.465730 
1 1 1    4   15   28 o   55.731   3.3164  369.634   43.447  386.900   61.295  352.200   61.591   56.818   4.6083   54.144   4.8694 2.673309 6.704263 
1 1 1    4   15   29 o   32.364   2.2223  124.552   16.881  128.600   23.868  120.500   23.878   32.777   3.1214   31.702   3.2350 1.075163 4.495406 
1 1 1    4   15   30 o   87.025   4.8216  909.373   98.696  883.500  139.505  935.300  139.649   84.988   7.0140   87.545   6.8088 -2.557182 9.775295 
1 1 1    4   15   31 o   30.932   2.1673  113.898   15.730  112.800   22.231  115.000   22.261   30.648   3.1152   30.953   3.0868 -0.3051567 4.385523 
1 1 1    4   15   32 o   54.529   3.2244  355.356   41.334  358.100   58.393  352.600   58.517   54.408   4.5878   53.972   4.6365 0.4359055 6.522627 
1 1 1    4   15   33 o   59.604   3.4705  425.802   48.635  427.400   68.739  424.200   68.820   59.262   4.9576   59.029   4.9839 0.2329330 7.029739 
1 1 1    4   15   34 f   68.618   3.9048  566.874   63.008  619.300   89.129  514.500   89.084   71.144   5.3444   64.558   5.9093 6.586700 7.967605 
1 1 1    4   15   35 o   63.319   3.6469  482.523   54.297  463.500   76.734  501.600   76.842   61.390   5.3467   63.980   5.1294 -2.589264 7.409278 
1 1 1    4   15   36 o   14.015   1.6605   23.600   5.3885   23.700   7.6049   23.500   7.6362   13.921   2.4002   13.856   2.4220 0.6450462E-01 3.409862 
1 1 1    4   15   37 o   35.354   2.3693  149.512   19.665  154.400   27.776  144.600   27.847   35.708   3.3326   34.512   3.4637 1.195930 4.806643 
1 1 1    4   15   38 o   64.424   3.7424  504.385   56.688  558.900   80.180  449.900   80.158   67.027   5.1042   59.687   5.7588 7.340385 7.695254 
1 1 1    4   15   39 o   37.174   2.4428  166.050   21.323  165.900   30.151  166.200   30.161   36.821   3.5102   36.855   3.5080 -0.3437042E-01 4.962627 
1 1 1    4   15   40 o   54.503   3.2844  362.356   42.073  380.700   59.490  344.000   59.509   55.024   4.6214   52.097   4.8948 2.927013 6.731694 
1 1 1    4   15   41 o   23.095   1.8736   64.066   10.129   75.000   14.348   53.200   14.303   24.851   2.4780   20.740   3.0082 4.110800 3.897424 
1 1 1    4   15   42 o   30.660   2.1915  113.411   15.761  127.100   22.281   99.700   22.299   32.191   2.9645   28.308   3.4042 3.882704 4.514020 
1 1 1    4   15   43 o   12.777   1.6799   19.803   4.9454   19.600   7.0550   20.000   6.9343   12.534   2.4715   12.679   2.4040 -0.1455860 3.447853 
1 1 1    4   15   44 o   20.042   1.7599   48.373   8.2449   59.900   11.700   37.000   11.621   22.188   2.2647   17.179   2.9723 5.009031 3.736768 
1 1 1    4   15   45 o   44.722   2.8296  245.250   29.728  276.300   42.041  214.200   42.041   46.767   3.8408   40.696   4.4472 6.070900 5.876143 
1 1 1    4   15   46 o   23.392   1.8874   66.201   10.337   81.800   14.641   50.700   14.595   25.826   2.4294   19.989   3.2000 5.836838 4.017734 
1 1 1    4   15   47 o   45.257   2.7875  253.975   29.645  300.200   41.981  208.000   41.868   48.355   3.7049   39.382   4.5881 8.972404 5.897194 
1 1 1    4   15   48 o   23.430   1.8663   66.782   10.240   83.900   14.533   49.900   14.432   26.046   2.3895   19.656   3.2209 6.389753 4.010457 
1 1 1    4   15   49 o   13.494   1.6937   22.305   5.2780   18.300   7.2580   26.800   7.6890   11.911   2.6490   14.606   2.3058 -2.695143 3.511987 
1 1 1    4   15   50 o   14.665   2.5364   27.400   8.4655   27.400   8.4655   0.0000   0.0000   14.665   2.5364  ?   ?  0.000000 2.536414 
1 1 1    4   15   51 o   21.697   2.8132   60.500   14.074   60.500   14.074   0.0000   0.0000   21.697   2.8132  ?   ?  0.000000 2.813211 
1 1 1    4   15   52 o   17.527   2.6717   39.900   10.708   39.900   10.708   0.0000   0.0000   17.527   2.6717  ?   ?  0.000000 2.671708 
1 1 1    4   15   53 f   14.053   2.6366   26.400   8.4281   26.400   8.4281   0.0000   0.0000   14.053   2.6366  ?   ?  0.000000 2.636572 
1 1 1    4   15   54 o   4.7724   1.9661   1.3000   3.5772   1.3000   3.5772   0.0000   0.0000   4.7724   1.9661  ?   ?  0.000000 1.966114 
1 1 1    4   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   15   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   16    0 o  205.854   15.885  5128.50  761.582  5128.50  761.582  5128.50  761.582  205.854   15.885  205.854   15.885 -0.000000 0.000000 
1 1 1    4   16    1 o  269.107   12.994  8636.51  825.728  7318.30  1163.69  9973.30  1171.86  245.198   20.280  287.575   17.338 -42.37775 26.68140 
1 1 1    4   16    2 o  225.542   10.339  6044.91  550.650  4820.80  775.171  7291.80  782.351  199.755   16.584  246.804   13.475 -47.04890 21.36815 
1 1 1    4   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   16    4 o  273.965   14.582  9007.66  939.973  8907.10  1327.44  9108.80  1331.21  270.112   20.976  273.249   20.787 -3.136932 29.53159 
1 1 1    4   16    5 o  424.632   21.430 22001.12  2141.87 19069.90  3021.42 24962.20  3036.77  386.409   33.443  446.527   28.957 -60.11804 44.23719 
1 1 1    4   16    6 o  369.085   19.675 16572.78  1708.55 15099.60  2413.83 18051.90  2418.69  345.690   29.864  380.309   27.110 -34.61871 40.33371 
1 1 1    4   16    7 o   70.654   4.0666  592.080   67.560  646.400   95.388  537.400   95.703   73.701   5.5211   67.096   6.1073 6.605431 8.232918 
1 1 1    4   16    8 o  198.048   10.579  4685.89  492.947  5503.10  697.137  3868.70  697.128  213.800   13.884  178.268   16.757 35.53273 21.76159 
1 1 1    4   16    9 o   43.109   2.6990  220.418   27.337  224.900   38.584  215.900   38.736   43.452   3.7986   42.556   3.8980 0.8954773 5.442799 
1 1 1    4   16   10 o  264.415   14.332  8437.48  891.516  8035.60  1261.70  8838.20  1259.89  254.800   21.161  267.907   20.061 -13.10643 29.15887 
1 1 1    4   16   11 o   96.518   5.2286  1106.17  118.721  1131.90  168.317  1080.70  167.480   97.367   7.3755   95.105   7.5189 2.261650 10.53242 
1 1 1    4   16   12 o  193.449   10.187  4481.54  463.691  4048.30  655.410  4915.70  656.108  182.182   15.379  201.442   13.878 -19.26056 20.71481 
1 1 1    4   16   13 o   41.580   2.5933  205.083   25.335  219.900   35.850  190.300   35.809   42.976   3.5649   39.928   3.8455 3.048737 5.243690 
1 1 1    4   16   14 o  173.854   9.5443  3620.73  390.323  3883.90  551.189  3356.00  552.815  178.954   13.135  165.887   14.251 13.06715 19.38106 
1 1 1    4   16   15 o  100.460   5.4985  1199.98  129.941  1207.80  183.464  1192.10  184.066  100.434   7.7969   99.761   7.8777 0.6731796 11.08376 
1 1 1    4   16   16 o  143.585   7.7770  2462.63  262.699  2524.50  371.121  2400.50  371.907  144.572   10.952  140.861   11.275 3.710831 15.71908 
1 1 1    4   16   17 o  194.250   10.520  4543.22  480.730  5460.50  679.774  3625.50  679.935  211.638   13.675  170.712   17.097 40.92551 21.89339 
1 1 1    4   16   18 o  163.366   8.7005  3198.05  334.427  3878.00  473.056  2518.70  472.846  179.092   11.243  143.133   14.176 35.95946 18.09355 
1 1 1    4   16   19 o   81.106   4.2807  781.211   81.694  1013.20  115.668  550.300  115.399   92.265   5.3317   67.578   7.3501 24.68716 9.080246 
1 1 1    4   16   20 o  315.603   17.827 12440.68  1323.12 13538.70  1869.79 11339.40  1872.56  321.210   24.845  290.464   27.634 30.74551 37.16054 
1 1 1    4   16   21 o   64.599   3.4556  495.176   52.522  609.500   74.481  382.100   74.074   71.585   4.4279   56.449   5.6322 15.13597 7.164365 
1 1 1    4   16   22 o  124.183   6.6862  1841.94  195.343  2222.90  276.297  1461.20  276.217  135.953   8.6514  109.497   10.825 26.45592 13.85702 
1 1 1    4   16   23 o   70.627   5.6886  596.700   94.068  596.700   94.068   0.0000   0.0000   70.627   5.6886  ?   ?  0.000000 5.688573 
1 1 1    4   16   24 o   47.515   4.1059  269.600   45.615  269.600   45.615   0.0000   0.0000   47.515   4.1059  ?   ?  0.000000 4.105853 
1 1 1    4   16   25 o  193.067   10.890  4553.82  494.454  4924.80  698.217  4180.60  700.314  197.838   15.059  181.039   16.565 16.79918 22.38706 
1 1 1    4   16   26 o   89.665   4.9155  959.296  103.681  944.200  146.130  974.600  147.129   88.466   7.0538   89.906   6.9850 -1.439827 9.927073 
1 1 1    4   16   27 o  134.586   7.6432  2192.76  241.905  2389.80  341.452  1994.20  342.762  139.046   10.476  126.300   11.623 12.74639 15.64782 
1 1 1    4   16   28 o   42.508   2.5198  214.710   25.180  192.500   35.195  238.000   36.040   40.075   3.7632   44.645   3.4452 -4.569996 5.102088 
1 1 1    4   16   29 o   84.917   4.6880  864.345   93.640  846.900  132.032  882.000  132.825   83.383   6.7640   85.143   6.6595 -1.760330 9.492085 
1 1 1    4   16   30 o   51.638   3.0577  317.882   37.119  309.700   52.436  326.100   52.552   50.700   4.4242   52.060   4.3137 -1.359669 6.179092 
1 1 1    4   16   31 o   16.536   1.7046   32.699   6.5606   31.700   9.2735   33.700   9.2827   16.158   2.5121   16.684   2.4273 -0.5267200 3.493219 
1 1 1    4   16   32 o   21.510   1.8348   55.195   9.2303   52.900   13.038   57.500   13.069   20.927   2.7016   21.852   2.5828 -0.9249935 3.737555 
1 1 1    4   16   33 o   44.955   2.7814  241.410   29.381  244.300   41.482  238.500   41.619   44.964   3.9468   44.406   4.0125 0.5583267 5.628246 
1 1 1    4   16   34 o   60.057   3.5000  433.250   49.420  433.300   69.828  433.200   69.954   59.533   5.0139   59.522   5.0240 0.1091003E-01 7.097867 
1 1 1    4   16   35 o   46.694   2.8621  261.055   31.405  265.500   44.390  256.600   44.438   46.767   4.0599   45.945   4.1404 0.8212585 5.798756 
1 1 1    4   16   36 o   26.593   1.9870   84.431   12.387   76.500   17.497   92.400   17.539   25.118   3.0099   27.699   2.7164 -2.580772 4.054457 
1 1 1    4   16   37 o  108.299   6.2207  1477.06  158.416  1488.20  223.935  1465.90  224.133  105.056   9.1173  104.133   9.2099 0.9235153 12.95948 
1 1 1    4   16   38 o   22.964   1.8580   63.101   9.9891   58.200   14.058   68.100   14.197   21.863   2.7862   23.724   2.5756 -1.860626 3.794301 
1 1 1    4   16   39 o   42.472   2.6909  217.557   26.848  230.400   37.958  204.700   37.979   43.293   3.7500   40.677   4.0059 2.616463 5.487255 
1 1 1    4   16   40 o   36.369   2.4021  159.428   20.513  177.300   29.028  141.600   28.992   38.044   3.2628   33.795   3.6932 4.248917 4.928019 
1 1 1    4   16   41 o   21.829   1.8560   57.296   9.4764   59.600   13.413   55.000   13.390   22.074   2.6247   21.159   2.7446 0.9148293 3.797657 
1 1 1    4   16   42 o   35.633   2.3793  153.636   19.905  178.100   28.158  129.200   28.141   38.035   3.1638   32.066   3.7898 5.969501 4.936861 
1 1 1    4   16   43 o   14.257   1.6736   24.580   5.5274   27.200   7.8465   22.000   7.7878   14.861   2.3111   13.269   2.5785 1.592447 3.462590 
1 1 1    4   16   44 o   14.532   1.6942   25.560   5.7047   29.200   8.0564   21.900   8.0789   15.405   2.2840   13.201   2.6832 2.203986 3.523659 
1 1 1    4   16   45 o   16.531   1.7209   33.044   6.6190   38.500   9.3657   27.600   9.3557   17.708   2.2938   14.809   2.7774 2.898188 3.602113 
1 1 1    4   16   46 o   35.324   2.3735  152.413   19.683  177.000   27.857  127.900   27.815   37.604   3.1667   31.526   3.8139 6.077503 4.957248 
1 1 1    4   16   47 o   5.6421   1.6727   3.8807   2.3881   1.5000   3.3638   6.3000   3.3909   4.8636   1.9416   7.1088   1.9578 -2.245216 2.757333 
1 1 1    4   16   48 o   24.801   2.1784   75.652   12.628   93.800   17.691   56.800   18.031   27.306   2.7826   20.605   3.8473 6.700863 4.748141 
1 1 1    4   16   49 o   10.183   1.7581   12.879   4.0747   9.8000   5.2600   17.500   6.4437   8.7660   2.4475   11.710   2.4106 -2.944132 3.435287 
1 1 1    4   16   50 o   24.125   2.9173   74.600   16.282   74.600   16.282   0.0000   0.0000   24.125   2.9173  ?   ?  0.000000 2.917318 
1 1 1    4   16   51 o   10.767   2.4399   15.000   6.0601   15.000   6.0601   0.0000   0.0000   10.767   2.4399  ?   ?  0.000000 2.439886 
1 1 1    4   16   52 o   12.281   2.5299   19.800   7.0926   19.800   7.0926   0.0000   0.0000   12.281   2.5299  ?   ?  0.000000 2.529861 
1 1 1    4   16   53 o   12.676   2.7028   21.900   7.8432   21.900   7.8432   0.0000   0.0000   12.676   2.7028  ?   ?  0.000000 2.702837 
1 1 1    4   16   54 o   6.6315   2.3085   5.5000   4.4327   5.5000   4.4327   0.0000   0.0000   6.6315   2.3085  ?   ?  0.000000 2.308548 
1 1 1    4   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   17    0 o   89.710   7.1728  970.000  149.712  970.000  149.712  970.000  149.712   89.710   7.1728   89.710   7.1728 -0.000000 0.000000 
1 1 1    4   17    1 o  325.599   17.511 12828.45  1341.37 12810.40  1894.27 12846.60  1899.70  321.273   25.171  321.705   25.209 -0.4323120 35.62366 
1 1 1    4   17    2 o  282.610   15.359  9619.38  1021.10 10357.80  1442.99  8878.80  1445.11  290.768   21.161  268.194   23.042 22.57376 31.28513 
1 1 1    4   17    3 o  177.321   8.6275  3733.04  361.248  3132.00  509.178  4342.20  512.603  161.235   13.498  190.508   11.448 -29.27371 17.69870 
1 1 1    4   17    4 o  402.395   20.792 19801.97  1968.95 17860.50  2777.84 21762.20  2791.23  373.615   31.788  415.600   28.616 -41.98495 42.77138 
1 1 1    4   17    5 o  161.748   8.2781  3113.90  315.118  2799.00  444.588  3431.80  446.707  152.536   12.452  169.272   11.240 -16.73596 16.77419 
1 1 1    4   17    6 o  407.837   22.139 20497.50  2124.07 20035.20  2999.53 20962.50  3008.27  393.827   32.546  403.635   31.820 -9.809021 45.51642 
1 1 1    4   17    7 o  157.975   8.6763  2974.90  322.418  3311.50  455.499  2636.90  456.439  166.078   11.689  147.745   13.223 18.33279 17.64896 
1 1 1    4   17    8 o  128.323   6.8763  1958.39  207.605  2077.40  293.914  1839.90  293.282  131.751   9.5112  123.836   10.118 7.914894 13.88640 
1 1 1    4   17    9 o   92.459   5.0914  1015.01  110.731  993.100  156.649  1036.90  156.547   91.175   7.3381   93.200   7.1682 -2.025620 10.25817 
1 1 1    4   17   10 o  139.124   7.4527  2305.51  243.947  2243.90  344.874  2367.20  345.113  136.591   10.780  140.383   10.487 -3.792053 15.03917 
1 1 1    4   17   11 o   97.146   5.2108  1120.95  119.097  1217.20  168.605  1025.10  168.252  100.991   7.1156   92.534   7.7721 8.457130 10.53743 
1 1 1    4   17   12 o   95.790   5.1489  1090.03  116.039  1171.00  164.277  1009.40  163.932   99.036   7.0711   91.822   7.6296 7.213356 10.40248 
1 1 1    4   17   13 o   96.079   5.2522  1097.05  118.709  1100.60  167.825  1093.50  167.934   95.918   7.4685   95.601   7.4992 0.3172150 10.58373 
1 1 1    4   17   14 o  196.284   10.612  4631.87  490.034  4721.30  692.147  4542.00  693.881  196.427   15.036  192.478   15.395 3.948639 21.52011 
1 1 1    4   17   15 o  165.848   8.9678  3295.06  349.897  3433.60  494.539  3156.20  495.120  168.168   12.544  160.978   13.140 7.189743 18.16594 
1 1 1    4   17   16 o  180.978   9.8986  3936.30  421.415  4529.00  595.695  3342.50  596.248  192.899   13.156  164.593   15.524 28.30585 20.34921 
1 1 1    4   17   17 o  174.333   9.3092  3647.97  381.839  4332.00  540.112  2964.50  539.893  188.959   12.169  155.078   14.928 33.88071 19.25958 
1 1 1    4   17   18 o  174.938   9.4251  3676.66  387.905  4152.10  548.573  3201.20  548.586  184.691   12.655  161.260   14.564 23.43112 19.29350 
1 1 1    4   17   19 o  226.546   17.961  6428.00  952.935  6428.00  952.935   0.0000   0.0000  226.546   17.961  ?   ?  0.000000 17.96050 
1 1 1    4   17   20 o  174.475   13.610  3734.10  556.312  3734.10  556.312   0.0000   0.0000  174.475   13.610  ?   ?  0.000000 13.61041 
1 1 1    4   17   21 o  215.211   11.598  5625.25  587.239  6597.50  830.611  4653.60  830.351  230.773   15.329  191.526   18.594 39.24728 24.09858 
1 1 1    4   17   22 o  102.862   5.6554  1261.19  136.838  1509.20  193.484  1013.00  193.552  112.205   7.3430   91.425   9.0858 20.78035 11.68205 
1 1 1    4   17   23 f   59.135   3.1733  415.012   44.150  548.500   62.588  282.800   62.288   67.927   3.9186   48.462   5.5428 19.46567 6.788093 
1 1 1    4   17   24 o   75.595   4.3219  680.140   76.829  782.800  108.553  577.100  108.754   80.888   5.7201   69.193   6.7418 11.69500 8.841448 
1 1 1    4   17   25 o   41.344   2.6366  203.051   25.606  213.900   36.129  192.100   36.297   42.324   3.6507   40.060   3.8860 2.263794 5.331855 
1 1 1    4   17   26 o  113.657   6.1290  1550.11  163.886  1495.80  231.266  1604.90  232.276  110.651   8.9270  114.760   8.6347 -4.108490 12.41969 
1 1 1    4   17   27 o   64.443   3.8080  495.071   57.690  543.800   81.402  445.900   81.771   67.292   5.1622   60.761   5.7684 6.530956 7.740974 
1 1 1    4   17   28 o  128.493   7.1307  2006.42  215.510  2046.20  304.148  1966.30  305.409  127.931   10.151  125.207   10.424 2.723763 14.55069 
1 1 1    4   17   29 o   58.833   3.5444  413.317   49.010  482.900   69.204  343.300   69.419   63.364   4.6578   53.126   5.6189 10.23804 7.298484 
1 1 1    4   17   30 o   84.415   4.7784  857.914   94.859  874.700  133.702  840.900  134.604   84.434   6.7627   82.686   6.9586 1.748100 9.703420 
1 1 1    4   17   31 o   42.398   2.6586  214.346   26.482  188.600   37.448  240.100   37.454   39.487   4.0748   44.712   3.5774 -5.225609 5.422336 
1 1 1    4   17   32 o   9.8311   1.8338   11.817   4.1006   15.200   5.5653   7.8000   6.0652   11.128   2.1959   8.2624   2.7006 2.865805 3.480706 
1 1 1    4   17   33 o   47.077   2.8431  264.908   31.458  253.900   44.403  276.000   44.572   45.768   4.1538   47.780   3.9869 -2.012272 5.757613 
1 1 1    4   17   34 o   82.155   4.5741  819.343   88.384  760.200  124.881  878.700  125.107   77.805   6.8676   84.042   6.3510 -6.236481 9.354076 
1 1 1    4   17   35 o   34.715   2.3302  143.953   18.992  145.800   26.834  142.100   26.883   34.737   3.3114   34.277   3.3647 0.4598923 4.720892 
1 1 1    4   17   36 o   16.273   1.7028   31.743   6.4463   34.800   9.1265   28.700   9.1066   16.940   2.3443   15.303   2.6139 1.637011 3.511190 
1 1 1    4   17   37 o   50.614   3.0558  308.691   36.351  303.700   51.363  313.700   51.453   49.659   4.4267   50.507   4.3568 -0.8488083 6.211021 
1 1 1    4   17   38 f   26.201   1.9837   82.215   12.182   77.700   17.162   86.800   17.296   25.254   2.9325   26.749   2.7787 -1.495457 4.039883 
1 1 1    4   17   39 o   49.814   3.0448  301.301   35.644  304.300   50.401  298.300   50.417   49.355   4.3697   48.832   4.4201 0.5227890 6.215483 
1 1 1    4   17   40 o   15.457   1.6984   28.789   6.0969   33.000   8.6336   24.600   8.6111   16.439   2.2860   14.059   2.6919 2.379960 3.531623 
1 1 1    4   17   41 o   24.239   1.9342   70.689   10.979   76.300   15.541   65.100   15.511   24.984   2.6758   22.979   2.9250 2.005596 3.964298 
1 1 1    4   17   42 o   34.509   2.3577  144.109   19.097  156.700   26.997  131.500   27.017   35.614   3.2458   32.443   3.5866 3.171791 4.837301 
1 1 1    4   17   43 o   6.2169   1.6901   4.7652   2.5464   2.5000   3.6134   7.0000   3.5891   5.4031   2.0524   7.5088   1.9916 -2.105670 2.859804 
1 1 1    4   17   44 o   21.707   1.8285   56.801   9.2853   66.700   13.164   47.000   13.099   23.366   2.4211   19.403   2.9520 3.962484 3.817842 
1 1 1    4   17   45 o   27.237   2.0568   89.893   13.131   96.300   18.581   83.500   18.560   27.872   2.8639   25.828   3.1053 2.044117 4.224345 
1 1 1    4   17   46 o   33.211   2.1238  134.092   16.568  172.800   23.510   95.900   23.353   37.410   2.6791   27.244   3.7277 10.16545 4.590609 
1 1 1    4   17   47 o   29.003   2.0959  102.640   14.258  125.300   20.190   80.100   20.136   31.720   2.7219   24.872   3.5274 6.847702 4.455475 
1 1 1    4   17   48 o   18.720   1.8354   42.804   8.0088   45.700   11.223   39.800   11.432   19.063   2.5577   17.647   2.8398 1.416138 3.821876 
1 1 1    4   17   49 o   12.614   2.0342   19.858   5.8530   28.800   7.9039   9.0000   8.7096   15.153   2.2795   8.9049   3.2222 6.248234 3.947007 
1 1 1    4   17   50 o   9.7287   2.4113   12.200   5.5117   12.200   5.5117   0.0000   0.0000   9.7287   2.4113  ?   ?  0.000000 2.411331 
1 1 1    4   17   51 o   10.910   2.4858   15.500   6.2610   15.500   6.2610   0.0000   0.0000   10.910   2.4858  ?   ?  0.000000 2.485767 
1 1 1    4   17   52 o   8.0736   2.3301   8.5000   4.6892   8.5000   4.6892   0.0000   0.0000   8.0736   2.3301  ?   ?  0.000000 2.330146 
1 1 1    4   17   53 o   8.2305   2.4681   9.1000   5.1772   9.1000   5.1772   0.0000   0.0000   8.2305   2.4681  ?   ?  0.000000 2.468093 
1 1 1    4   17   54 o   9.6515   2.5288   13.000   5.8325   13.000   5.8325   0.0000   0.0000   9.6515   2.5288  ?   ?  0.000000 2.528781 
1 1 1    4   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   18    0 o  123.564   9.7297  1843.00  279.843  1843.00  279.843  1843.00  279.843  123.564   9.7297  123.564   9.7297 -0.000000 0.000000 
1 1 1    4   18    1 o  343.526   14.680 14188.60  1190.86 19039.50  1693.50  9443.50  1674.93  396.086   18.106  273.889   26.218 122.1967 31.86251 
1 1 1    4   18    2 o  135.891   7.4154  2197.04  237.051  2539.90  335.073  1853.50  335.408  145.749   9.7927  124.058   11.583 21.69090 15.16818 
1 1 1    4   18    3 o   4.2620   1.5498   1.7384   2.0185   5.2000   2.7066  -2.6000   3.0300   6.5212   1.7294   3.4236   1.5847 3.097540 2.345623 
1 1 1    4   18    4 o  125.821   6.7877  1882.32  200.923  1843.60  284.033  1921.10  284.262  124.048   9.7758  126.681   9.5733 -2.633614 13.68264 
1 1 1    4   18    5 o   85.324   4.5509  863.675   91.361  736.900  128.814  992.000  129.599   78.511   7.0223   91.307   6.0450 -12.79604 9.265809 
1 1 1    4   18    6 o  285.968   15.304  9904.52  1029.70  9275.60  1455.15 10535.30  1457.30  272.566   22.818  291.578   21.313 -19.01111 31.22405 
1 1 1    4   18    7 o  269.387   14.516  8778.84  919.991  8794.40  1299.54  8763.20  1302.60  266.292   20.833  265.760   20.926 0.5328064 29.52783 
1 1 1    4   18    8 o  165.041   7.7269  3237.04  301.133  2595.00  423.408  3894.20  428.367  146.540   12.351  180.333   10.100 -33.79385 15.95511 
1 1 1    4   18    9 f  356.691   19.327 15710.92  1621.76 14341.80  2292.65 17082.10  2294.37  331.168   29.631  364.723   26.829 -33.55496 39.97180 
1 1 1    4   18   10 o  192.620   10.269  4448.95  465.407  4577.00  658.582  4321.20  657.789  193.928   14.486  188.232   14.921 5.696030 20.79646 
1 1 1    4   18   11 o  275.363   14.840  9226.84  961.378  9584.50  1360.00  8869.60  1359.19  276.639   20.975  265.404   21.883 11.23438 30.31187 
1 1 1    4   18   12 o  143.917   7.6572  2471.23  259.286  2613.70  366.909  2329.10  366.462  147.324   10.618  138.853   11.274 8.471298 15.48694 
1 1 1    4   18   13 o   82.112   4.5173  800.739   87.252  844.900  123.478  756.700  123.308   84.133   6.2601   79.541   6.6253 4.592239 9.115005 
1 1 1    4   18   14 o   76.122   4.2833  688.160   76.681  705.300  108.255  670.900  108.631   76.853   6.0131   74.917   6.1962 1.936256 8.634304 
1 1 1    4   18   15 o   77.876   6.2057  724.800  113.171  724.800  113.171   0.0000   0.0000   77.876   6.2057  ?   ?  0.000000 6.205659 
1 1 1    4   18   16 o   82.432   4.6596  807.610   90.328  892.300  127.585  722.500  127.901   86.435   6.2942   77.605   7.0566 8.830078 9.455781 
1 1 1    4   18   17 o  110.564   6.0839  1456.48  158.229  1661.70  223.673  1250.90  223.868  117.728   8.0950  101.770   9.4225 15.95797 12.42227 
1 1 1    4   18   18 o   55.124   3.2929  360.705   42.666  395.100   60.248  326.100   60.431   57.578   4.4661   52.212   4.9611 5.366093 6.675216 
1 1 1    4   18   19 f  273.392   14.273  9168.11  918.213 11585.20  1299.47  6757.90  1297.62  303.934   18.190  226.334   24.679 77.59987 30.65839 
1 1 1    4   18   20 o  192.159   10.423  4462.33  471.194  5175.50  666.310  3748.90  666.429  205.237   13.829  173.081   16.506 32.15611 21.53341 
1 1 1    4   18   21 o  179.483   9.7978  3888.57  413.683  4359.10  584.837  3417.40  585.236  188.406   13.229  165.726   15.121 22.67944 20.09150 
1 1 1    4   18   22 o  155.323   8.3249  2900.65  304.225  3644.50  430.311  2157.30  430.166  173.233   10.570  131.637   14.056 41.59599 17.58682 
1 1 1    4   18   23 o  220.924   12.241  5995.27  636.076  6967.60  899.284  5021.80  899.810  234.749   16.325  196.219   19.685 38.52979 25.57345 
1 1 1    4   18   24 o   84.411   4.7542  849.409   94.378  940.900  133.355  757.600  133.586   88.517   6.4238   79.193   7.2230 9.323853 9.666244 
1 1 1    4   18   25 o   85.104   4.7842  864.539   95.753  921.600  135.251  807.200  135.581   87.458   6.5976   81.685   7.0996 5.772881 9.691869 
1 1 1    4   18   26 o  153.932   8.5453  2888.55  309.392  2993.10  436.823  2783.30  438.274  154.322   12.084  148.377   12.629 5.945862 17.47874 
1 1 1    4   18   27 o   58.276   3.4674  404.732   47.499  421.800   66.918  387.400   67.433   59.244   4.8253   56.703   5.0905 2.540756 7.014060 
1 1 1    4   18   28 o   23.317   1.8181   64.705   9.9312   56.600   13.805   73.400   14.298   21.674   2.7599   24.766   2.4781 -3.092424 3.709185 
1 1 1    4   18   29 o   95.766   5.3001  1107.10  119.390  1096.30  168.442  1118.00  169.246   94.200   7.6383   95.156   7.5955 -0.9561920 10.77190 
1 1 1    4   18   30 o   50.280   3.0299  301.757   35.806  302.700   50.444  300.800   50.833   50.084   4.3071   49.913   4.3566 0.1710052 6.126272 
1 1 1    4   18   31 o   49.466   2.9848  292.354   34.702  295.600   49.049  289.100   49.103   49.448   4.2417   48.882   4.2976 0.5653419 6.038377 
1 1 1    4   18   32 o   40.078   2.5576  191.688   24.078  190.500   33.885  192.900   34.220   39.734   3.6524   39.982   3.6654 -0.2484970 5.174432 
1 1 1    4   18   33 o   18.553   1.7496   41.144   7.5747   38.700   10.700   43.600   10.725   17.850   2.6161   18.998   2.4476 -1.147654 3.582574 
1 1 1    4   18   34 o   32.406   2.2349  125.353   16.997  126.800   24.017  123.900   24.058   32.415   3.1786   32.029   3.2249 0.3863831 4.528066 
1 1 1    4   18   35 o   38.446   2.4990  176.812   22.564  183.900   31.883  169.700   31.937   38.974   3.5017   37.382   3.6651 1.591484 5.069008 
1 1 1    4   18   36 o  106.819   6.1245  1434.30  153.838  1436.70  217.468  1431.90  217.651  103.382   8.9979  103.172   9.0246 0.2101364 12.74385 
1 1 1    4   18   37 o   56.571   3.3566  387.650   44.638  387.700   63.046  387.600   63.211   55.832   4.8296   55.816   4.8439 0.1569748E-01 6.840175 
1 1 1    4   18   38 o   19.518   1.7921   45.700   8.1674   46.100   11.550   45.300   11.550   19.443   2.5795   19.265   2.6060 0.1784744 3.666715 
1 1 1    4   18   39 o   19.791   1.7936   47.038   8.2910   52.300   11.739   41.800   11.712   20.736   2.4443   18.423   2.7785 2.312464 3.700648 
1 1 1    4   18   40 o   25.206   1.9610   76.385   11.580   73.200   16.338   79.600   16.415   24.417   2.8898   25.513   2.7692 -1.096291 4.002358 
1 1 1    4   18   41 o   23.084   1.9076   64.150   10.305   64.200   14.561   64.100   14.586   22.861   2.7528   22.840   2.7604 0.2063942E-01 3.898410 
1 1 1    4   18   42 f   59.088   3.5342  432.922   49.086  420.300   69.342  445.600   69.494   56.634   5.2447   58.497   5.0815 -1.863022 7.302603 
1 1 1    4   18   43 f   22.575   1.9002   61.459   10.035   68.900   14.184   54.000   14.201   23.714   2.5743   20.832   2.9709 2.881914 3.931085 
1 1 1    4   18   44 o   32.194   2.2441  125.680   16.953  133.800   24.005  117.600   23.946   32.822   3.1354   30.640   3.3650 2.181822 4.599356 
1 1 1    4   18   45 o   5.9742   1.7153   4.3780   2.5469   7.9000   3.5635   0.7000   3.6416   7.9483   1.9201   4.7445   1.9717 3.203817 2.752174 
1 1 1    4   18   46 o   3.0018   1.2289   0.3704   1.3867  -1.2000   2.0480   1.7000   1.8844   2.9670   1.3467   4.1373   1.4986 -1.170311 2.014739 
1 1 1    4   18   47 o   26.014   1.9718   82.516   12.022   95.400   17.059   69.800   16.947   27.646   2.6454   23.345   3.1550 4.300266 4.117268 
1 1 1    4   18   48 o   23.226   2.0665   66.282   11.215   75.000   15.618   57.000   16.115   24.358   2.7643   20.858   3.3883 3.500086 4.372839 
1 1 1    4   18   49 o   16.213   1.9502   32.424   7.3166   41.000   10.086   22.900   10.630   18.063   2.4261   13.071   3.4085 4.991612 4.183765 
1 1 1    4   18   50 o   9.7657   2.3826   12.300   5.4456   12.300   5.4456   0.0000   0.0000   9.7657   2.3826  ?   ?  0.000000 2.382601 
1 1 1    4   18   51 o   19.432   2.7367   49.100   12.210   49.100   12.210   0.0000   0.0000   19.432   2.7367  ?   ?  0.000000 2.736678 
1 1 1    4   18   52 o   14.373   2.6379   27.600   8.6233   27.600   8.6233   0.0000   0.0000   14.373   2.6379  ?   ?  0.000000 2.637941 
1 1 1    4   18   53 o   1.7839   0.8753  -2.5000   1.2621  -2.5000   1.2621   0.0000   0.0000   1.7839   0.8753  ?   ?  0.000000 0.8752624 
1 1 1    4   18   54 o   4.4138   1.8724   0.6000   3.3901   0.6000   3.3901   0.0000   0.0000   4.4138   1.8724  ?   ?  0.000000 1.872435 
1 1 1    4   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   18   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   19    0 o  145.007   11.317  2543.20  382.076  2543.20  382.076  2543.20  382.076  145.007   11.317  145.007   11.317 -0.000000 0.000000 
1 1 1    4   19    1 o   97.183   5.1977  1121.29  118.847  987.000  167.728  1256.70  168.423   90.808   7.9007  102.682   6.9877 -11.87395 10.54751 
1 1 1    4   19    2 o  198.914   10.089  4731.78  472.341  5644.50  669.252  3825.90  666.736  216.367   13.161  177.006   16.129 39.36137 20.81724 
1 1 1    4   19    3 o   39.783   2.5359  187.744   23.698  202.900   33.577  172.700   33.453   41.283   3.4767   38.031   3.7749 3.252029 5.131992 
1 1 1    4   19    4 o  117.204   6.3103  1633.43  174.002  1608.90  245.480  1658.20  246.676  115.888   9.0420  117.677   8.9440 -1.789635 12.71826 
1 1 1    4   19    5 o  199.878   10.117  4781.92  475.975  4257.10  671.364  5312.30  674.910  186.897   15.348  209.537   13.716 -22.64023 20.58356 
1 1 1    4   19    6 o  154.165   8.3966  2836.84  304.517  3274.60  430.460  2398.30  430.843  165.023   11.111  140.572   13.132 24.45070 17.20172 
1 1 1    4   19    7 o  214.327   11.291  5519.82  569.441  5242.30  803.831  5799.40  806.799  206.772   16.603  217.921   15.785 -11.14970 22.90943 
1 1 1    4   19    8 o  125.205   6.6795  1866.19  196.769  1804.20  277.584  1928.80  278.968  122.549   9.6709  126.796   9.3838 -4.247406 13.47526 
1 1 1    4   19    9 o   86.640   4.1956  888.244   85.837  1134.00  121.718  645.100  121.069   97.688   5.2964   73.352   7.0776 24.33628 8.839909 
1 1 1    4   19   10 o  193.095   10.003  4471.35  454.545  3782.10  642.360  5162.60  643.288  175.552   15.660  206.342   13.273 -30.79013 20.52822 
1 1 1    4   19   11 o  132.783   6.9661  2101.24  217.659  2334.20  308.091  1869.10  307.543  139.452   9.4111  124.440   10.566 15.01202 14.14951 
1 1 1    4   19   12 o   20.846   1.8056   51.718   8.8006   55.800   12.496   47.700   12.397   21.586   2.4976   19.907   2.7074 1.679071 3.683487 
1 1 1    4   19   13 o   50.851   3.0286  306.801   36.202  308.600   51.182  305.000   51.212   50.874   4.3007   50.571   4.3303 0.3033752 6.103065 
1 1 1    4   19   14 o  130.288   6.7850  2023.87  208.023  2304.40  294.492  1744.50  293.887  138.542   9.0515  120.104   10.467 18.43801 13.83794 
1 1 1    4   19   15 o  119.354   6.0603  1696.08  170.242  2158.60  241.076  1236.00  240.441  134.378   7.6288  100.984   10.224 33.39413 12.75655 
1 1 1    4   19   16 o  139.677   7.5511  2331.75  248.132  2587.40  350.878  2076.00  350.944  146.442   10.211  130.714   11.486 15.72789 15.36866 
1 1 1    4   19   17 o  110.741   6.0676  1461.27  158.063  1549.60  223.385  1372.70  223.685  113.588   8.3877  106.740   8.9574 6.847153 12.27145 
1 1 1    4   19   18 f  208.952   11.281  5286.26  554.575  6167.20  784.328  4405.50  784.248  223.699   14.934  187.138   17.968 36.56059 23.36395 
1 1 1    4   19   19 o  193.466   10.606  4526.58  482.680  4760.20  681.773  4291.80  683.456  196.233   14.822  185.754   15.729 10.47916 21.61288 
1 1 1    4   19   20 o   87.695   4.9643  915.393  102.379  1035.20  144.609  795.000  144.963   92.995   6.6286   81.232   7.6473 11.76315 10.12028 
1 1 1    4   19   21 o  193.146   10.633  4527.94  483.070  5138.40  682.865  3916.40  683.464  203.605   14.294  176.152   16.628 27.45363 21.92699 
1 1 1    4   19   22 o  138.903   7.4445  2315.57  243.291  2865.20  344.154  1766.50  343.977  153.789   9.5237  119.514   12.367 34.27529 15.60944 
1 1 1    4   19   23 o  107.665   5.9105  1386.21  149.691  1401.20  211.243  1371.10  212.151  107.566   8.3828  106.354   8.5191 1.212456 11.95179 
1 1 1    4   19   24 o   44.791   2.7917  238.401   29.380  265.600   41.510  211.100   41.588   47.171   3.7579   41.945   4.2578 5.225258 5.678931 
1 1 1    4   19   25 o  137.840   7.5745  2300.07  245.595  2502.30  347.223  2097.60  347.426  142.262   10.408  129.562   11.475 12.69987 15.49194 
1 1 1    4   19   26 o   49.972   3.0208  297.176   35.479  301.700   50.032  292.600   50.319   50.159   4.2646   49.374   4.3607 0.7851868 6.099362 
1 1 1    4   19   27 o   44.393   2.7668  234.575   28.860  237.900   40.665  231.200   40.965   44.532   3.9066   43.879   3.9975 0.6528473 5.589418 
1 1 1    4   19   28 o  117.459   6.6559  1681.63  183.852  1763.00  259.410  1599.50  260.605  118.509   9.3457  112.433   9.9174 6.075920 13.62704 
1 1 1    4   19   29 o   17.564   1.7676   36.876   7.2313   37.800   10.087   35.900   10.372   17.681   2.4846   17.196   2.6385 0.4846096 3.624247 
1 1 1    4   19   30 o   60.155   3.3996  433.005   48.093  408.800   67.541  457.900   68.496   58.001   4.9797   61.482   4.7549 -3.481277 6.885255 
1 1 1    4   19   31 o   51.482   3.1519  317.161   38.133  348.000   53.832  286.100   54.025   53.642   4.2856   48.460   4.7836 5.182465 6.422566 
1 1 1    4   19   32 o   24.050   1.9210   69.001   10.818   69.500   15.286   68.500   15.314   24.010   2.7454   23.829   2.7734 0.1808052 3.902421 
1 1 1    4   19   33 o  133.334   7.6811  2255.64  240.816  2343.30  340.393  2167.80  340.738  131.116   11.098  125.249   11.655 5.867584 16.09359 
1 1 1    4   19   34 o   42.567   2.6377  216.746   26.382  201.300   37.245  232.300   37.375   40.693   3.9247   43.821   3.6449 -3.128773 5.356172 
1 1 1    4   19   35 o   64.400   3.7445  501.810   56.698  510.000   80.136  493.600   80.230   64.139   5.3396   63.035   5.4435 1.104439 7.625142 
1 1 1    4   19   36 o   40.334   2.5580  195.154   24.237  188.500   34.034  202.000   34.523   39.297   3.7117   40.719   3.6285 -1.422565 5.190619 
1 1 1    4   19   37 f   50.932   3.0069  313.435   36.003  290.100   50.739  337.100   51.096   48.314   4.4991   52.285   4.1733 -3.970543 6.136611 
1 1 1    4   19   38 o   34.114   2.2971  139.940   18.397  135.400   25.850  144.600   26.188   33.221   3.3405   34.368   3.2662 -1.147381 4.671906 
1 1 1    4   19   39 o   56.484   3.2890  390.087   43.679  349.400   61.648  431.100   61.895   52.243   5.0607   58.523   4.5137 -6.279610 6.781171 
1 1 1    4   19   40 f   45.485   2.8193  251.703   30.132  278.800   42.649  224.700   42.575   47.289   3.8528   42.124   4.3425 5.165310 5.805295 
1 1 1    4   19   41 o   13.669   1.6959   22.618   5.3561   25.300   7.5492   19.900   7.6003   14.330   2.3094   12.601   2.6388 1.728869 3.506624 
1 1 1    4   19   42 o   26.508   2.0348   84.758   12.640   87.100   17.845   82.400   17.905   26.595   2.8880   25.821   2.9921 0.7739410 4.158497 
1 1 1    4   19   43 o   46.361   2.8930  263.428   31.512  278.100   44.598  248.800   44.532   46.815   4.0750   44.065   4.3359 2.749596 5.950254 
1 1 1    4   19   44 o   25.815   2.0019   80.644   12.108   88.200   17.131   73.100   17.116   26.725   2.7539   24.178   3.0669 2.546820 4.121871 
1 1 1    4   19   45 o   19.820   1.8067   47.588   8.3626   52.700   11.840   42.500   11.813   20.646   2.4781   18.392   2.8092 2.254049 3.746034 
1 1 1    4   19   46 o   12.707   1.6619   19.707   4.8672   27.000   6.9038   12.500   6.8629   14.805   2.0281   9.9038   2.8064 4.900954 3.462561 
1 1 1    4   19   47 o   20.063   1.9768   49.309   9.2437   65.400   12.951   32.600   13.198   22.935   2.4283   15.602   3.6476 7.333120 4.381992 
1 1 1    4   19   48 f   16.141   1.8059   31.917   6.7652   34.600   9.4524   29.100   9.6868   16.557   2.4952   15.019   2.8352 1.537294 3.776861 
1 1 1    4   19   49 o   6.5547   1.9354   5.3320   3.2023   5.4000   3.9412   5.2000   5.4934   6.7032   2.1763   7.0015   2.5551 -0.2983489 3.356345 
1 1 1    4   19   50 o   19.596   2.7250   49.400   12.268   49.400   12.268   0.0000   0.0000   19.596   2.7250  ?   ?  0.000000 2.724983 
1 1 1    4   19   51 o   12.263   2.5489   19.800   7.1399   19.800   7.1399   0.0000   0.0000   12.263   2.5489  ?   ?  0.000000 2.548875 
1 1 1    4   19   52 o   14.968   2.7381   30.400   9.3214   30.400   9.3214   0.0000   0.0000   14.968   2.7381  ?   ?  0.000000 2.738113 
1 1 1    4   19   53 o   8.9355   2.5640   11.100   5.6926   11.100   5.6926   0.0000   0.0000   8.9355   2.5640  ?   ?  0.000000 2.564029 
1 1 1    4   19   54 o   5.7611   2.4643   1.5000   5.9589   1.5000   5.9589   0.0000   0.0000   5.7611   2.4643  ?   ?  0.000000 2.464265 
1 1 1    4   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   20    0 o   22.774   2.9107   64.200   14.954   64.200   14.954   64.200   14.954   22.774   2.9107   22.774   2.9107 0.000000 0.000000 
1 1 1    4   20    1 o  168.359   13.012  3431.50  513.284  3431.50  513.284   0.0000   0.0000  168.359   13.012  ?   ?  0.000000 13.01202 
1 1 1    4   20    2 o  322.049   26.092 13285.90  1967.19 13285.90  1967.19   0.0000   0.0000  322.049   26.092  ?   ?  0.000000 26.09225 
1 1 1    4   20    3 o  244.260   11.205  7149.22  646.270  5145.80  909.617  9191.40  918.373  203.606   19.144  275.414   14.169 -71.80731 23.81729 
1 1 1    4   20    4 o  250.682   13.435  7601.02  792.369  7474.10  1118.67  7728.80  1122.50  245.399   19.465  249.740   19.181 -4.341476 27.32713 
1 1 1    4   20    5 o   31.993   2.0499  121.405   15.405   99.900   21.592  143.700   21.985   28.891   3.2197   34.767   2.6990 -5.875397 4.201298 
1 1 1    4   20    6 o   83.884   4.4564  835.191   87.955  756.600  123.989  914.800  124.790   79.556   6.6614   87.614   6.0691 -8.058403 9.011567 
1 1 1    4   20    7 o  239.487   13.107  6940.06  738.388  7469.50  1043.44  6409.00  1045.03  245.828   18.103  226.672   19.721 19.15598 26.76954 
1 1 1    4   20    8 o  108.132   5.9015  1390.96  150.120  1406.30  211.898  1375.50  212.709  108.326   8.3482  107.102   8.4799 1.224571 11.89962 
1 1 1    4   20    9 o  220.492   11.845  5867.10  614.484  6141.40  869.094  5592.90  868.928  223.315   16.600  212.591   17.464 10.72363 24.09418 
1 1 1    4   20   10 o  275.549   14.674  9264.65  951.363  8363.20  1344.72 10168.00  1346.14  256.287   22.446  284.705   20.153 -28.41742 30.16608 
1 1 1    4   20   11 o   88.464   4.8706  930.000  101.353  948.500  143.335  911.500  143.335   89.061   6.8686   87.273   7.0145 1.788498 9.817377 
1 1 1    4   20   12 o  137.980   7.3462  2272.61  238.492  2465.90  337.443  2079.70  337.116  143.083   10.051  131.080   10.993 12.00224 14.89521 
1 1 1    4   20   13 o  142.539   7.6352  2427.53  256.056  2544.50  362.229  2310.70  362.007  145.149   10.643  138.116   11.196 7.032547 15.44714 
1 1 1    4   20   14 o  160.256   8.3510  3074.35  314.929  3469.10  445.803  2681.10  444.951  169.356   11.211  148.224   12.839 21.13216 17.04504 
1 1 1    4   20   15 o  111.517   5.1552  1474.77  135.753  1877.90  192.606  1076.80  191.368  125.509   6.5212   94.531   8.6696 30.97788 10.84841 
1 1 1    4   20   16 o  241.075   12.849  7073.36  728.831  8680.10  1031.06  5468.70  1030.39  264.549   16.589  206.411   21.453 58.13841 27.11901 
1 1 1    4   20   17 o  137.772   7.2497  2268.28  235.023  2114.80  331.601  2423.20  333.151  132.069   10.726  141.653   10.025 -9.584167 14.68097 
1 1 1    4   20   18 o   53.456   3.2181  339.268   40.432  403.200   57.126  275.100   57.232   58.191   4.1853   47.877   5.1429 10.31366 6.630726 
1 1 1    4   20   19 o  142.004   7.6454  2415.58  255.423  2389.60  360.376  2441.80  362.073  140.178   10.975  141.736   10.902 -1.558273 15.46921 
1 1 1    4   20   20 o   70.000   3.9237  582.326   64.596  661.200   91.395  503.600   91.310   74.427   5.2336   64.772   6.0395 9.654503 7.991658 
1 1 1    4   20   21 o   40.261   2.5800  192.479   24.399  216.000   34.484  168.900   34.527   42.570   3.4604   37.545   3.9539 5.025192 5.254351 
1 1 1    4   20   22 o   41.530   2.6482  204.858   25.834  244.200   36.508  165.400   36.562   45.274   3.4407   37.096   4.2507 8.178219 5.468690 
1 1 1    4   20   23 o  117.725   6.5349  1664.17  180.949  1765.00  255.493  1562.70  256.309  120.340   9.0574  112.933   9.7056 7.407928 13.27535 
1 1 1    4   20   24 o  121.726   6.4036  1781.63  183.416  1656.90  258.239  1908.60  260.555  116.122   9.5009  124.976   8.8869 -8.854729 13.00940 
1 1 1    4   20   25 o  159.419   8.9505  3118.94  335.576  3454.40  474.195  2782.40  474.958  165.127   12.249  146.721   13.873 18.40572 18.50675 
1 1 1    4   20   26 o   32.702   2.2527  127.210   17.290  128.300   24.341  126.100   24.563   32.721   3.1909   32.428   3.2515 0.2932625 4.555632 
1 1 1    4   20   27 o   92.071   4.9650  1019.39  107.547  947.900  151.609  1091.80  152.584   87.814   7.3798   94.519   6.8837 -6.704880 10.09191 
1 1 1    4   20   28 o   28.058   2.0812   93.752   13.691   93.900   19.244   93.600   19.481   27.958   2.9599   27.906   3.0036 0.5224037E-01 4.216972 
1 1 1    4   20   29 o   58.138   3.3764  404.271   46.152  396.700   64.936  412.000   65.608   57.199   4.8535   58.313   4.8075 -1.113781 6.831444 
1 1 1    4   20   30 o   73.207   4.1377  645.038   71.235  635.600  100.416  654.600  101.071   71.937   5.9652   73.036   5.9111 -1.098877 8.397843 
1 1 1    4   20   31 o   38.904   2.4463  180.526   22.359  166.700   31.371  194.800   31.876   37.149   3.6223   40.238   3.3863 -3.088936 4.958574 
1 1 1    4   20   32 o   98.033   5.3810  1176.11  124.089  1113.20  174.681  1240.20  176.306   93.416   7.9959   98.977   7.6015 -5.561615 11.03256 
1 1 1    4   20   33 o   16.167   1.7265   31.328   6.4892   34.400   9.1361   28.200   9.2187   16.849   2.3611   15.168   2.6715 1.681114 3.565356 
1 1 1    4   20   34 o  105.569   6.0141  1389.17  149.302  1497.40  211.130  1280.90  211.160  106.968   8.4269   97.948   9.2388 9.019859 12.50468 
1 1 1    4   20   35 o   23.795   1.9182   67.697   10.687   61.300   15.109   74.100   15.117   22.443   2.9201   24.773   2.6241 -2.330009 3.925909 
1 1 1    4   20   36 o   21.625   1.8435   55.991   9.3239   51.100   13.174   60.900   13.198   20.460   2.8002   22.427   2.5368 -1.966877 3.778435 
1 1 1    4   20   37 o   76.292   4.3611  721.279   78.241  687.100  110.455  755.700  110.845   72.386   6.5324   76.296   6.2063 -3.910233 9.010588 
1 1 1    4   20   38 o   16.729   1.7378   33.673   6.7648   28.000   9.5864   39.300   9.5476   15.005   2.8088   17.971   2.3029 -2.965902 3.632122 
1 1 1    4   20   39 o   39.119   2.5326  185.137   23.270  183.100   32.805  187.200   33.012   38.407   3.6616   38.848   3.6411 -0.4412689 5.163778 
1 1 1    4   20   40 o   21.339   1.8510   54.800   9.2348   55.400   13.060   54.200   13.060   21.247   2.6614   21.002   2.6956 0.2448559 3.788074 
1 1 1    4   20   41 o   49.013   3.0033  294.102   34.592  279.600   48.839  308.700   49.002   46.790   4.4748   49.363   4.2451 -2.573254 6.168089 
1 1 1    4   20   42 o   8.3364   1.7200   8.6000   3.2736   7.0000   4.6295   10.200   4.6295   7.6126   2.3445   9.0322   2.1927 -1.419517 3.210083 
1 1 1    4   20   43 o   21.881   1.8619   57.779   9.5287   65.800   13.493   49.800   13.458   23.167   2.5064   19.974   2.9414 3.192642 3.864453 
1 1 1    4   20   44 o   10.709   1.6772   14.050   4.1023   18.300   5.8015   9.8000   5.8015   12.152   2.0975   8.8695   2.6011 3.282873 3.341418 
1 1 1    4   20   45 o   21.900   1.8747   58.191   9.6012   65.500   13.587   50.900   13.570   22.996   2.5447   20.076   2.9504 2.919783 3.896231 
1 1 1    4   20   46 o   29.172   2.1446  104.143   14.670  115.300   20.753   93.000   20.740   30.248   2.9427   26.901   3.3365 3.346685 4.448766 
1 1 1    4   20   47 o   24.912   2.0425   76.063   11.910   78.500   16.637   73.500   17.058   24.872   2.8863   23.940   3.0895 0.9320259 4.227961 
1 1 1    4   20   48 o   7.9383   1.8283   7.9323   3.3564   6.9000   4.5209   9.2000   5.0100   7.4755   2.3193   8.5075   2.3933 -1.031913 3.332719 
1 1 1    4   20   49 o   2.8600   1.2480  -0.3009   1.5898   0.9000   1.7393  -6.4000   3.9196   3.5745   1.4059   3.3167   1.6084 0.2578170 2.136183 
1 1 1    4   20   50 f   7.0563   2.2067   6.2000   4.0835   6.2000   4.0835   0.0000   0.0000   7.0563   2.2067  ?   ?  0.000000 2.206707 
1 1 1    4   20   51 o   9.2320   2.4064   11.300   5.2994   11.300   5.2994   0.0000   0.0000   9.2320   2.4064  ?   ?  0.000000 2.406361 
1 1 1    4   20   52 f   5.7183   2.1298   3.5000   3.8498   3.5000   3.8498   0.0000   0.0000   5.7183   2.1298  ?   ?  0.000000 2.129794 
1 1 1    4   20   53 o   7.4442   2.4618   7.4000   5.0344   7.4000   5.0344   0.0000   0.0000   7.4442   2.4618  ?   ?  0.000000 2.461797 
1 1 1    4   20   54 o   10.216   3.0120   15.700   7.7609   15.700   7.7609   0.0000   0.0000   10.216   3.0120  ?   ?  0.000000 3.011975 
1 1 1    4   20   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   21    0 o  400.333   32.646 20535.00  3038.95 20535.00  3038.95 20535.00  3038.95  400.333   32.646  400.333   32.646 -0.000000 0.000000 
1 1 1    4   21    1 o  124.242   6.4283  1836.87  187.946  2139.40  266.518  1537.60  265.080  133.740   8.4831  112.970   10.042 20.77042 13.14528 
1 1 1    4   21    2 o  114.118   5.6671  1543.89  152.714  1197.70  215.257  1894.70  216.689   99.764   9.2424  126.042   7.3119 -26.27853 11.78498 
1 1 1    4   21    3 o  125.033   6.6733  1861.54  196.314  1736.70  277.064  1987.40  278.199  120.146   9.8525  128.721   9.2135 -8.574966 13.48930 
1 1 1    4   21    4 o   53.964   3.2063  345.499   40.674  343.400   57.513  347.600   57.530   53.663   4.5827   53.995   4.5545 -0.3328705 6.461020 
1 1 1    4   21    5 o  194.400   9.8613  4531.17  451.199  4023.30  636.427  5044.40  639.770  181.323   14.999  203.871   13.363 -22.54733 20.08821 
1 1 1    4   21    6 o  197.749   9.9907  4691.81  465.013  4151.90  655.672  5238.20  659.601  184.046   15.224  207.629   13.527 -23.58304 20.36522 
1 1 1    4   21    7 o  183.923   9.5333  4055.53  412.617  3745.80  581.926  4368.70  585.144  175.121   14.194  189.639   13.148 -14.51744 19.34831 
1 1 1    4   21    8 o  263.719   21.038  8778.60  1299.21  8778.60  1299.21   0.0000   0.0000  263.719   21.038  ?   ?  0.000000 21.03801 
1 1 1    4   21    9 o  221.174   11.816  5910.44  614.861  5751.70  868.161  6070.20  870.936  215.455   17.208  221.634   16.765 -6.178741 24.02454 
1 1 1    4   21   10 o  164.639   8.6113  3244.81  333.617  3045.50  470.702  3446.00  472.918  158.211   12.707  168.629   11.954 -10.41812 17.44576 
1 1 1    4   21   11 o   17.465   1.6722   36.360   6.8122   50.100   9.6838   22.900   9.5847   20.493   2.0278   13.649   3.0506 6.844054 3.663076 
1 1 1    4   21   12 o  168.393   9.0445  3400.73  358.326  3459.20  506.853  3342.30  506.645  168.531   12.833  165.551   13.066 2.979736 18.31410 
1 1 1    4   21   13 o  106.762   5.7787  1356.96  145.141  1391.00  205.383  1323.00  205.138  107.667   8.1384  104.943   8.3471 2.724380 11.65792 
1 1 1    4   21   14 o   59.280   3.4287  417.100   47.791  408.400   67.586  425.800   67.586   58.489   4.9397   59.744   4.8321 -1.255341 6.910117 
1 1 1    4   21   15 o  180.244   9.4870  3905.83  402.367  4242.30  569.519  3570.50  568.549  186.423   13.019  170.391   14.262 16.03244 19.31050 
1 1 1    4   21   16 o  205.737   10.972  5120.85  531.121  5474.30  751.542  4768.20  750.696  210.439   15.227  195.628   16.402 14.81096 22.38046 
1 1 1    4   21   17 o  216.608   11.995  5709.92  611.155  6179.20  863.464  5238.80  865.147  222.419   16.559  203.564   18.190 18.85448 24.59801 
1 1 1    4   21   18 o   39.934   2.6154  189.354   24.527  210.300   34.560  168.100   34.813   42.005   3.5166   37.461   3.9972 4.543858 5.323934 
1 1 1    4   21   19 o   85.242   4.7461  864.908   95.154  882.800  134.351  846.900  134.785   85.786   6.6851   83.978   6.8568 1.807899 9.576271 
1 1 1    4   21   20 o  141.120   7.6876  2392.56  255.213  2822.50  360.877  1962.40  360.973  152.392   10.085  126.051   12.283 26.34067 15.89338 
1 1 1    4   21   21 o   52.017   3.1003  321.458   37.908  394.200   53.607  248.700   53.613   57.519   3.9712   45.453   5.0821 12.06538 6.449622 
1 1 1    4   21   22 o   21.373   1.8766   54.410   9.3752   54.800   13.101   54.000   13.422   21.356   2.6552   21.184   2.7479 0.1720181 3.821161 
1 1 1    4   21   23 o   82.416   4.6954  811.241   91.001  906.600  128.532  715.400  128.857   86.752   6.3178   76.773   7.1916 9.978989 9.572563 
1 1 1    4   21   24 o  101.468   5.7340  1237.31  136.825  1325.20  193.056  1148.60  193.947  104.216   7.9037   96.701   8.5827 7.514572 11.66758 
1 1 1    4   21   25 o  161.159   9.0437  3208.32  342.774  3415.50  484.387  3000.50  485.124  162.887   12.694  151.603   13.699 11.28391 18.67621 
1 1 1    4   21   26 o   51.691   3.0768  318.424   37.386  314.000   52.717  322.900   53.026   51.079   4.4141   51.811   4.3751 -0.7323036 6.214925 
1 1 1    4   21   27 o   41.479   2.7089  205.048   26.387  225.700   37.141  184.000   37.495   43.366   3.6612   39.031   4.1310 4.335037 5.519897 
1 1 1    4   21   28 f   73.622   4.1463  650.973   71.790  639.700  101.186  662.400  101.870   72.326   5.9782   73.635   5.9085 -1.308960 8.405303 
1 1 1    4   21   29 o   97.232   5.4438  1150.28  124.488  1147.90  175.201  1152.70  176.918   95.648   7.8256   95.802   7.8907 -0.1536865 11.11316 
1 1 1    4   21   30 o   29.280   2.1303  102.224   14.628  105.600   20.616   98.800   20.760   29.626   2.9878   28.621   3.1223 1.004744 4.321565 
1 1 1    4   21   31 o   32.242   2.2225  123.994   16.818  121.300   23.546  126.800   24.030   31.718   3.1868   32.438   3.1779 -0.7195187 4.500565 
1 1 1    4   21   32 o   27.754   2.0810   91.934   13.539  100.200   19.108   83.600   19.187   28.853   2.8413   26.267   3.1565 2.586147 4.246975 
1 1 1    4   21   33 o   92.368   5.3909  1051.43  117.073  1110.80  165.113  991.400  166.023   93.090   7.5771   87.396   8.1383 5.693619 11.11955 
1 1 1    4   21   34 o   41.730   2.6250  208.639   25.735  205.300   36.333  212.000   36.457   41.073   3.7888   41.760   3.7365 -0.6869049 5.321347 
1 1 1    4   21   35 f   78.874   4.5676  765.994   84.707  812.500  119.738  719.400  119.850   79.683   6.4180   74.523   6.8885 5.160179 9.414987 
1 1 1    4   21   36 o   82.491   4.7371  846.591   91.887  812.400  129.836  880.900  130.060   78.393   7.0906   82.022   6.7757 -3.629097 9.807493 
1 1 1    4   21   37 o   12.644   1.7167   19.366   4.9931   22.300   6.9847   16.300   7.1404   13.472   2.2767   11.416   2.6925 2.056054 3.526064 
1 1 1    4   21   38 o   21.979   1.8597   58.030   9.5616   55.500   13.470   60.600   13.575   21.277   2.7451   22.279   2.6311 -1.002205 3.802407 
1 1 1    4   21   39 o   11.393   1.6748   15.790   4.3712   16.600   6.2201   15.000   6.1442   11.548   2.3606   10.955   2.4380 0.5933714 3.393575 
1 1 1    4   21   40 o   74.455   4.4304  702.400   77.540  782.300  109.658  622.500  109.658   76.264   6.1412   66.712   7.0688 9.552658 9.363874 
1 1 1    4   21   41 o   23.982   1.9413   69.302   10.899   70.000   15.394   68.600   15.434   23.855   2.7853   23.598   2.8260 0.2564449 3.967855 
1 1 1    4   21   42 o   14.271   1.6672   24.634   5.5123   28.400   7.8120   20.900   7.7791   15.202   2.2437   12.902   2.6422 2.299283 3.466284 
1 1 1    4   21   43 o   27.308   2.0563   90.289   13.163   88.200   18.565   92.400   18.665   26.620   3.0060   27.281   2.9441 -0.6608486 4.207579 
1 1 1    4   21   44 o   12.615   1.6968   19.409   4.9261   23.700   6.9594   15.100   6.9737   13.827   2.2055   10.883   2.7209 2.944116 3.502522 
1 1 1    4   21   45 o   17.715   1.7470   38.094   7.2126   48.400   10.228   27.900   10.172   19.834   2.2221   14.724   3.0269 5.109797 3.754972 
1 1 1    4   21   46 o   28.693   2.1481  100.918   14.449  107.700   20.407   94.100   20.461   29.148   3.0081   27.066   3.2676 2.082790 4.441384 
1 1 1    4   21   47 f   14.482   1.7445   25.684   5.8457   22.600   7.9078   29.400   8.6803   13.285   2.6139   15.244   2.4979 -1.959228 3.615511 
1 1 1    4   21   48 o   8.5421   2.0149   9.2510   3.9985   14.100   5.2920   2.8000   6.1039   10.535   2.1984   6.4629   2.6030 4.072096 3.407115 
1 1 1    4   21   49 o   12.320   1.8449   18.871   5.2020   22.000   7.0798   15.200   7.6691   13.128   2.3711   10.724   2.9405 2.403985 3.777401 
1 1 1    4   21   50 o   10.656   2.4569   14.900   6.0559   14.900   6.0559   0.0000   0.0000   10.656   2.4569  ?   ?  0.000000 2.456939 
1 1 1    4   21   51 o   9.8340   2.4725   13.000   5.7354   13.000   5.7354   0.0000   0.0000   9.8340   2.4725  ?   ?  0.000000 2.472469 
1 1 1    4   21   52 f   12.793   2.7550   22.900   8.0769   22.900   8.0769   0.0000   0.0000   12.793   2.7550  ?   ?  0.000000 2.755045 
1 1 1    4   21   53 o   8.7591   2.7071   10.900   6.1658   10.900   6.1658   0.0000   0.0000   8.7591   2.7071  ?   ?  0.000000 2.707087 
1 1 1    4   21   54 o   11.574   3.0310   20.100   8.3823   20.100   8.3823   0.0000   0.0000   11.574   3.0310  ?   ?  0.000000 3.031033 
1 1 1    4   22    0 o  200.375   15.682  4906.10  731.566  4906.10  731.566  4906.10  731.566  200.375   15.682  200.375   15.682 0.000000 0.000000 
1 1 1    4   22    1 o   93.383   5.0807  1036.35  111.614  984.000  157.476  1089.20  158.217   90.647   7.4220   95.459   7.0693 -4.811340 10.24993 
1 1 1    4   22    2 o  183.685   8.8550  4027.49  384.083  3173.30  540.948  4895.90  545.432  161.038   14.377  201.457   11.513 -40.41898 18.41852 
1 1 1    4   22    3 o  107.010   5.8475  1362.54  147.200  1490.70  208.178  1234.40  208.166  111.592   7.9523  101.330   8.7868 10.26179 11.85102 
1 1 1    4   22    4 o  167.199   8.7259  3345.30  343.319  2770.00  485.003  3923.10  486.052  150.559   13.795  180.252   11.479 -29.69241 17.94657 
1 1 1    4   22    5 o  116.280   6.3099  1610.23  172.608  1623.80  244.294  1596.70  243.914  116.267   8.9674  115.272   9.0331 0.9941864 12.72835 
1 1 1    4   22    6 o  265.634   13.718  8583.12  857.512  7761.60  1209.65  9413.00  1215.78  247.847   20.863  274.692   18.858 -26.84492 28.12230 
1 1 1    4   22    7 o   48.023   2.8991  273.627   32.722  270.400   46.110  276.900   46.443   47.616   4.1421   48.192   4.1208 -0.5755348 5.842815 
1 1 1    4   22    8 o  222.831   11.978  6006.52  627.973  5830.80  887.759  6182.50  888.417  216.628   17.504  223.432   16.965 -6.804001 24.37670 
1 1 1    4   22    9 o  113.952   6.1270  1546.40  164.260  1640.80  232.420  1452.20  232.178  116.942   8.4742  109.857   9.0301 7.085075 12.38366 
1 1 1    4   22   10 o   60.374   3.4699  432.590   49.260  447.700   69.687  417.500   69.640   61.274   4.8560   59.135   5.0351 2.139320 6.995232 
1 1 1    4   22   11 o  186.935   9.5737  4197.10  421.187  4850.40  596.312  3546.70  594.986  199.736   12.709  169.685   15.004 30.05042 19.66308 
1 1 1    4   22   12 o  225.853   12.207  6186.15  648.591  6206.70  917.323  6165.60  917.170  223.132   17.552  222.348   17.613 0.7830811 24.86490 
1 1 1    4   22   13 o  118.367   6.4023  1670.49  178.283  1717.50  252.168  1623.50  252.092  119.465   9.0052  116.063   9.2757 3.401337 12.92793 
1 1 1    4   22   14 o   40.217   2.5588  191.958   24.174  188.400   34.226  195.500   34.148   39.728   3.6904   40.485   3.6098 -0.7571030 5.162403 
1 1 1    4   22   15 o   55.292   3.2217  362.880   41.881  383.700   59.258  342.100   59.200   56.728   4.4597   53.509   4.7341 3.218922 6.503883 
1 1 1    4   22   16 o  100.177   5.0038  1190.66  118.368  1471.80  167.709  911.600  167.086  111.022   6.4246   86.921   8.2389 24.10112 10.44776 
1 1 1    4   22   17 o   45.653   2.7115  247.324   29.099  284.800   41.222  210.100   41.084   48.917   3.5939   41.898   4.2095 7.019062 5.534990 
1 1 1    4   22   18 o  130.864   7.1789  2051.81  220.994  2147.80  312.115  1955.30  312.951  133.003   10.011  126.673   10.559 6.329971 14.55025 
1 1 1    4   22   19 o  151.852   8.3111  2778.10  296.888  3087.60  419.693  2468.10  420.032  158.814   11.264  141.202   12.734 17.61160 17.00149 
1 1 1    4   22   20 o   60.478   3.3297  434.530   47.368  381.600   66.634  488.600   67.348   56.423   5.0548   63.990   4.4854 -7.567379 6.758011 
1 1 1    4   22   21 o  111.486   6.1112  1490.03  160.268  1513.70  226.490  1466.30  226.818  111.527   8.6682  109.696   8.8312 1.831390 12.37449 
1 1 1    4   22   22 f   47.337   2.9572  266.471   32.890  288.800   46.338  243.800   46.691   49.144   4.0285   45.058   4.4463 4.086140 5.999885 
1 1 1    4   22   23 o   80.082   4.4512  766.224   83.841  749.400  118.304  783.200  118.835   78.695   6.4223   80.497   6.3021 -1.801598 8.997953 
1 1 1    4   22   24 o  188.384   10.690  4453.88  473.565  4628.90  668.909  4278.00  670.538  186.387   15.334  178.109   16.118 8.278183 22.24678 
1 1 1    4   22   25 o  134.685   7.6204  2224.06  241.366  2517.80  341.047  1929.30  341.640  141.219   10.298  122.131   12.001 19.08726 15.81400 
1 1 1    4   22   26 o   70.554   4.0517  596.332   67.219  616.700   94.872  575.800   95.253   71.263   5.6851   68.764   5.9240 2.499733 8.210629 
1 1 1    4   22   27 o   24.875   1.9575   73.729   11.405   71.100   16.064   76.400   16.195   24.297   2.8543   25.212   2.7656 -0.9153061 3.974327 
1 1 1    4   22   28 o   66.607   3.6012  531.488   56.431  462.700   79.428  601.600   80.188   61.524   5.5262   70.475   4.8480 -8.950878 7.351356 
1 1 1    4   22   29 o   91.496   5.0996  1016.88  109.743  994.600  154.796  1039.40  155.606   89.112   7.4239   91.202   7.2862 -2.090027 10.40202 
1 1 1    4   22   30 f   25.267   1.9041   76.101   11.277   67.500   15.686   85.300   16.223   23.635   2.8694   26.655   2.6111 -3.019310 3.879600 
1 1 1    4   22   31 o   42.956   2.7052  220.617   27.300  222.300   38.420  218.900   38.798   42.852   3.8375   42.501   3.9098 0.3514938 5.478394 
1 1 1    4   22   32 o   23.767   1.9201   67.452   10.684   68.200   15.090   66.700   15.130   23.762   2.7394   23.488   2.7819 0.2744980 3.904310 
1 1 1    4   22   33 f   94.950   5.6090  1118.04  125.201  1228.00  176.710  1007.20  177.414   97.464   7.7419   87.213   8.7321 10.25092 11.66989 
1 1 1    4   22   34 o   64.363   3.5066  501.357   53.094  445.500   74.565  558.800   75.617   59.702   5.3458   67.264   4.7921 -7.562328 7.179234 
1 1 1    4   22   35 o   41.816   2.5483  210.064   25.043  186.000   35.317  234.400   35.516   38.887   3.8985   43.873   3.4562 -4.985760 5.209985 
1 1 1    4   22   36 o   29.618   2.1336  105.301   14.822  110.000   20.958  100.600   20.964   30.041   2.9943   28.669   3.1486 1.372328 4.345054 
1 1 1    4   22   37 o   37.235   2.4873  167.289   21.743  188.900   30.722  145.600   30.778   39.246   3.3471   34.198   3.8800 5.048309 5.124177 
1 1 1    4   22   38 o   8.2818   1.7584   8.4836   3.3324   6.6000   4.7562   10.300   4.6705   7.4789   2.3870   9.0912   2.1995 -1.612308 3.245817 
1 1 1    4   22   39 o   13.177   1.6600   21.013   5.0506   15.000   7.0922   27.200   7.1942   10.920   2.7515   14.925   2.0993 -4.004928 3.460863 
1 1 1    4   22   40 o   31.805   2.2340  122.198   16.671  121.700   23.530  122.700   23.623   31.363   3.2231   31.493   3.2220 -0.1302814 4.557356 
1 1 1    4   22   41 o   41.163   2.6468  206.345   25.590  217.600   36.198  195.100   36.182   41.672   3.7177   39.297   3.9527 2.374752 5.426341 
1 1 1    4   22   42 o   37.736   2.4909  173.376   22.071  192.200   31.233  154.600   31.193   39.239   3.4045   34.903   3.8487 4.336201 5.138428 
1 1 1    4   22   43 o   18.250   1.7966   40.332   7.6420   45.800   10.776   34.800   10.839   19.275   2.4210   16.619   2.8655 2.655989 3.751346 
1 1 1    4   22   44 o   49.888   3.1966  312.332   37.459  342.800   52.904  281.700   53.045   50.910   4.4453   45.467   5.0247 5.442932 6.708827 
1 1 1    4   22   45 o   15.565   1.7276   29.515   6.2427   37.400   8.8484   21.700   8.8088   17.391   2.2042   12.948   2.9472 4.442384 3.680296 
1 1 1    4   22   46 o   35.031   2.5343  152.517   20.822  178.300   29.353  126.400   29.542   37.190   3.3794   30.592   4.2004 6.598091 5.391105 
1 1 1    4   22   47 o   25.446   2.1352   79.685   12.711   98.600   17.867   60.300   18.087   27.972   2.7401   21.238   3.7433 6.734545 4.639053 
1 1 1    4   22   48 o   5.4823   1.7714   3.5616   2.6131   4.3000   3.3421   2.4000   4.1917   6.0518   2.0060   5.5634   2.1843 0.4884191 2.965663 
1 1 1    4   22   49 o   9.0375   2.4058   10.600   5.2252   10.600   5.2252   0.0000   0.0000   9.0375   2.4058  ?   ?  0.000000 2.405849 
1 1 1    4   22   50 o   14.491   2.5805   27.700   8.5061   27.700   8.5061   0.0000   0.0000   14.491   2.5805  ?   ?  0.000000 2.580507 
1 1 1    4   22   51 o   16.414   2.7784   36.900   10.385   36.900   10.385   0.0000   0.0000   16.414   2.7784  ?   ?  0.000000 2.778441 
1 1 1    4   22   52 o   15.317   2.7107   32.600   9.4457   32.600   9.4457   0.0000   0.0000   15.317   2.7107  ?   ?  0.000000 2.710716 
1 1 1    4   22   53 o   14.539   2.7832   30.200   9.2069   30.200   9.2069   0.0000   0.0000   14.539   2.7832  ?   ?  0.000000 2.783175 
1 1 1    4   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   23    0 o  165.397   12.950  3327.90  498.662  3327.90  498.662  3327.90  498.662  165.397   12.950  165.397   12.950 0.000000 0.000000 
1 1 1    4   23    1 o  312.041   17.169 12029.58  1260.22 12237.70  1782.10 11821.40  1782.34  307.561   24.747  301.728   25.248 5.833313 35.35373 
1 1 1    4   23    2 o  245.464   13.057  7313.08  754.090  8033.80  1067.61  6595.50  1065.29  254.332   17.890  228.996   19.898 25.33569 26.75835 
1 1 1    4   23    3 o  217.453   9.9471  5665.66  510.770  7393.40  725.931  3971.70  718.798  247.080   12.483  178.758   17.242 68.32208 21.28654 
1 1 1    4   23    4 o   71.574   3.6140  607.581   60.884  729.000   86.916  490.600   85.313   78.304   4.7227   64.054   5.6999 14.25005 7.402203 
1 1 1    4   23    5 o  193.541   10.456  4508.61  476.070  4425.50  673.521  4591.60  673.009  189.773   15.156  193.474   14.844 -3.701141 21.21478 
1 1 1    4   23    6 o  160.899   8.2806  3096.73  313.547  2652.00  442.350  3545.80  444.501  147.502   12.828  171.361   11.044 -23.85902 16.92682 
1 1 1    4   23    7 o  176.437   9.4312  3736.67  391.509  4059.20  553.960  3414.80  553.393  182.628   12.929  166.923   14.174 15.70540 19.18466 
1 1 1    4   23    8 o   82.361   4.4710  805.771   86.628  904.800  122.622  707.100  122.400   87.090   5.9992   76.810   6.8193 10.27974 9.082632 
1 1 1    4   23    9 o   68.580   3.8668  558.389   62.364  545.800   88.157  571.000   88.235   67.596   5.5726   69.167   5.4464 -1.570580 7.792131 
1 1 1    4   23   10 o  171.175   9.1694  3516.56  369.285  3396.50  522.050  3636.80  522.446  166.705   13.374  172.734   12.902 -6.029495 18.58303 
1 1 1    4   23   11 o  206.450   10.888  5146.25  528.938  5731.60  748.476  4562.30  747.588  215.942   14.767  191.495   16.700 24.44745 22.29233 
1 1 1    4   23   12 o  177.436   9.4831  3785.96  395.893  3594.00  559.600  3978.30  560.156  171.058   13.976  180.371   13.244 -9.313217 19.25461 
1 1 1    4   23   13 o  154.770   8.2719  2871.56  301.216  3032.50  426.169  2710.90  425.799  157.965   11.504  149.043   12.206 8.922028 16.77259 
1 1 1    4   23   14 o  213.321   10.398  5483.63  523.782  6711.90  741.988  4263.60  739.497  234.054   13.482  184.238   17.197 49.81642 21.85170 
1 1 1    4   23   15 o  204.359   10.969  5063.02  527.401  5337.00  746.241  4789.60  745.475  207.283   15.355  195.717   16.278 11.56616 22.37752 
1 1 1    4   23   16 o  122.798   6.0997  1794.89  176.872  2245.20  250.486  1347.10  249.786  136.780   7.7875  105.168   10.186 31.61157 12.82176 
1 1 1    4   23   17 f   81.888   4.5391  797.990   87.427  855.800  123.652  740.200  123.630   84.524   6.2394   78.478   6.7367 6.046066 9.182156 
1 1 1    4   23   18 o   69.236   3.7570  569.740   61.194  670.900   86.652  469.100   86.430   74.984   4.9212   62.471   5.9301 12.51326 7.706095 
1 1 1    4   23   19 o  220.074   11.213  5945.99  580.803  5112.60  818.766  6790.10  824.017  198.518   17.650  231.632   15.149 -33.11450 23.25975 
1 1 1    4   23   20 o   93.656   5.1663  1048.19  113.813  1045.20  160.554  1051.20  161.360   92.949   7.3756   93.212   7.3916 -0.2632370 10.44196 
1 1 1    4   23   21 o   43.565   2.6892  225.571   27.529  246.500   38.959  204.700   38.905   45.428   3.6629   41.313   4.0397 4.114838 5.453092 
1 1 1    4   23   22 o   42.376   2.6337  213.503   26.224  206.000   36.970  221.100   37.202   41.460   3.8191   42.984   3.7013 -1.523521 5.318437 
1 1 1    4   23   23 o   32.218   2.2097  123.445   16.710  115.700   23.475  131.400   23.791   31.051   3.2497   33.137   3.0754 -2.086611 4.474257 
1 1 1    4   23   24 o   91.565   5.1499  1008.95  110.897  1051.00  156.563  966.600  157.103   92.634   7.2143   88.650   7.5777 3.983849 10.46271 
1 1 1    4   23   25 o   34.851   2.3064  144.552   18.873  129.900   26.603  159.400   26.780   32.853   3.4823   36.487   3.1387 -3.634678 4.688083 
1 1 1    4   23   26 o   80.842   4.5658  786.730   86.802  793.700  122.497  779.700  123.019   80.416   6.5067   79.656   6.5996 0.7598419 9.267783 
1 1 1    4   23   27 o   37.391   2.4667  166.685   21.657  173.500   30.550  159.800   30.706   37.982   3.4437   36.403   3.6201 1.578884 4.996444 
1 1 1    4   23   28 o   36.393   2.2908  157.786   19.586  140.400   27.382  176.000   28.027   34.119   3.4458   38.303   3.1259 -4.183853 4.652444 
1 1 1    4   23   29 o   70.294   4.0175  595.321   66.409  588.500   93.719  602.200   94.115   69.151   5.7928   69.979   5.7462 -0.8279266 8.159338 
1 1 1    4   23   30 o   46.520   2.7455  258.643   30.026  232.400   42.219  285.500   42.711   43.746   4.1361   48.638   3.7476 -4.891571 5.581432 
1 1 1    4   23   31 o   60.676   3.5703  443.297   50.929  453.400   71.857  433.100   72.192   60.784   5.0521   59.330   5.2055 1.453514 7.254081 
1 1 1    4   23   32 o   43.011   2.6699  221.515   26.982  213.400   37.963  229.800   38.358   41.889   3.8821   43.515   3.7702 -1.626850 5.411569 
1 1 1    4   23   33 o   44.078   2.6251  232.903   27.199  211.600   38.076  255.100   38.867   41.619   3.9206   45.836   3.6205 -4.217323 5.336582 
1 1 1    4   23   34 o   34.419   2.3667  142.110   19.119  147.100   26.879  137.000   27.200   34.764   3.3145   33.484   3.4915 1.280205 4.814224 
1 1 1    4   23   35 o   36.874   2.4915  163.643   21.567  171.900   30.331  155.200   30.673   37.472   3.4671   35.497   3.7143 1.974979 5.081055 
1 1 1    4   23   36 f   35.553   2.3901  152.209   19.949  155.600   28.174  148.800   28.249   35.602   3.3923   34.772   3.4875 0.8302383 4.865180 
1 1 1    4   23   37 o   33.649   2.2778  136.423   17.992  131.000   25.383  141.900   25.507   32.595   3.3452   33.989   3.2163 -1.393909 4.640569 
1 1 1    4   23   38 o   48.116   2.9739  282.448   33.624  282.000   47.463  282.900   47.640   47.265   4.2996   47.334   4.3094 -0.6899261E-01 6.087539 
1 1 1    4   23   39 o   18.459   1.8275   41.088   7.8610   47.400   11.041   34.600   11.195   19.693   2.4256   16.636   2.9581 3.057829 3.825455 
1 1 1    4   23   40 o   26.063   1.9607   81.801   11.978   72.000   16.856   91.800   17.026   24.113   3.0270   27.401   2.6651 -3.287695 4.033024 
1 1 1    4   23   41 o   30.720   2.1899  114.148   15.782  116.700   22.326  111.600   22.313   30.693   3.1239   29.974   3.2020 0.7192249 4.473418 
1 1 1    4   23   42 o   8.7148   1.9095   9.4676   3.8209   18.300   5.2726  -0.3000   5.5448   12.210   1.8898   5.4839   2.3620 6.726150 3.024950 
1 1 1    4   23   43 o   17.775   1.7829   38.316   7.3825   39.500   10.374   37.100   10.509   17.819   2.5371   17.212   2.6721 0.6062431 3.684705 
1 1 1    4   23   44 o   19.324   1.8037   45.346   8.1353   45.000   11.444   45.700   11.567   18.963   2.6263   19.110   2.6332 -0.1467094 3.718995 
1 1 1    4   23   45 o   1.1743   0.5870  -1.8503   0.6747  -2.9000   1.3488  -1.5000   0.7792   1.8055   0.8896   1.4238   0.6963 0.3817395 1.129688 
1 1 1    4   23   46 o   12.096   1.9382   18.171   5.3490   24.900   7.2850   10.300   7.8793   14.093   2.2659   9.1827   3.0810 4.910067 3.824516 
1 1 1    4   23   47 o   3.7733   1.4943   0.9505   1.9777  -0.5000   2.4155   3.9000   3.4445   3.5006   1.5327   5.8953   2.0360 -2.394735 2.548386 
1 1 1    4   23   48 o   19.028   1.7347   44.308   7.7087   35.200   10.608   54.500   11.221   16.465   2.8304   20.847   2.3187 -4.381966 3.658879 
1 1 1    4   23   49 o   16.057   2.6235   33.600   9.6038   33.600   9.6038   0.0000   0.0000   16.057   2.6235  ?   ?  0.000000 2.623505 
1 1 1    4   23   50 o   6.0719   2.1291   4.3000   3.7738   4.3000   3.7738   0.0000   0.0000   6.0719   2.1291  ?   ?  0.000000 2.129139 
1 1 1    4   23   51 o   14.633   2.7649   29.700   9.2036   29.700   9.2036   0.0000   0.0000   14.633   2.7649  ?   ?  0.000000 2.764926 
1 1 1    4   23   52 o   9.9007   2.6490   13.900   6.3146   13.900   6.3146   0.0000   0.0000   9.9007   2.6490  ?   ?  0.000000 2.648986 
1 1 1    4   23   53 o  ?   ?   -4.9000   0.8902  -4.9000   0.8902   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   24    0 o  349.570   28.409 15586.00  2309.42 15586.00  2309.42 15586.00  2309.42  349.570   28.409  349.570   28.409 -0.000000 0.000000 
1 1 1    4   24    1 o   67.697   3.8514  544.082   61.312  537.600   86.588  550.600   86.830   67.097   5.5138   67.916   5.4604 -0.8190384 7.759986 
1 1 1    4   24    2 o  244.295   13.018  7250.67  748.279  8101.70  1059.24  6402.90  1057.21  255.301   17.679  225.191   20.093 30.11086 26.76311 
1 1 1    4   24    3 o   46.735   2.8793  259.194   31.621  229.200   44.715  289.200   44.724   43.777   4.3845   49.283   3.8743 -5.505798 5.851001 
1 1 1    4   24    4 o  278.203   13.464  9398.13  884.473 11409.50  1256.19  7420.70  1245.55  303.118   17.626  240.814   22.152 62.30411 28.30897 
1 1 1    4   24    5 o  210.205   9.8336  5296.84  488.112  6650.10  694.014  3972.20  686.634  234.089   12.602  178.981   16.430 55.10794 20.70605 
1 1 1    4   24    6 o  239.232   12.782  6951.43  719.438  7618.40  1018.56  6287.40  1016.32  247.484   17.543  223.421   19.458 24.06299 26.19874 
1 1 1    4   24    7 o   84.617   4.6850  850.950   93.247  850.900  132.058  851.000  131.686   84.329   6.6865   84.337   6.6667 -0.7987976E-02 9.442196 
1 1 1    4   24    8 o   95.802   5.2884  1091.94  119.172  987.800  168.608  1195.90  168.460   90.655   7.9568   99.963   7.1846 -9.308075 10.72048 
1 1 1    4   24    9 o  118.469   6.4137  1673.45  178.754  1684.30  252.803  1662.60  252.791  118.266   9.1228  117.482   9.1854 0.7838974 12.94592 
1 1 1    4   24   10 o  158.463   8.5093  3010.93  317.245  2845.30  448.557  3176.70  448.748  152.657   12.555  161.642   11.839 -8.984695 17.25640 
1 1 1    4   24   11 o  162.431   8.6580  3166.66  330.887  3470.20  468.129  2863.60  467.761  168.901   11.812  152.836   13.087 16.06456 17.62923 
1 1 1    4   24   12 o  106.095   5.7712  1341.24  144.041  1355.10  203.772  1327.40  203.638  106.157   8.1924  105.040   8.2770 1.116547 11.64576 
1 1 1    4   24   13 o  182.004   8.8718  3971.79  381.290  4766.30  540.341  3183.80  538.118  197.993   11.608  160.421   14.357 37.57159 18.46280 
1 1 1    4   24   14 o   27.794   2.0588   91.791   13.416   95.100   18.999   88.500   18.948   28.208   2.8931   27.188   3.0014 1.020779 4.168777 
1 1 1    4   24   15 o   93.109   5.0510  1032.52  110.639  1115.70  156.592  949.600  156.342   96.442   6.9221   88.803   7.5265 7.639496 10.22562 
1 1 1    4   24   16 o   92.087   5.1166  1010.81  110.821  1037.60  156.409  983.800  157.043   92.881   7.1873   90.371   7.4248 2.510078 10.33367 
1 1 1    4   24   17 o   91.419   5.0365  996.648  108.305  989.800  153.148  1003.50  153.185   90.633   7.2157   91.275   7.1649 -0.6415939 10.16862 
1 1 1    4   24   18 o   85.675   4.7402  875.385   95.527  843.300  135.063  907.500  135.129   83.617   6.9021   86.827   6.6410 -3.210533 9.578183 
1 1 1    4   24   19 o  120.159   6.5377  1735.52  184.801  1835.10  261.395  1636.00  261.302  122.570   9.0962  115.440   9.6750 7.129875 13.27954 
1 1 1    4   24   20 o   93.317   5.1970  1042.55  114.064  1057.10  160.776  1027.80  161.850   93.331   7.3547   91.965   7.5187 1.365677 10.51774 
1 1 1    4   24   21 o  140.324   7.6512  2394.87  252.569  2342.10  356.591  2448.00  357.785  136.554   11.156  139.793   10.926 -3.238541 15.61494 
1 1 1    4   24   22 o   38.894   2.6047  180.060   23.784  203.900   33.489  155.800   33.784   41.280   3.4677   35.946   4.0507 5.334496 5.332331 
1 1 1    4   24   23 o   52.343   3.1244  326.577   38.442  322.300   54.218  330.900   54.514   51.740   4.4819   52.440   4.4442 -0.6992722 6.311731 
1 1 1    4   24   24 o  104.453   5.7917  1321.85  142.294  1581.00  201.234  1062.70  201.234  113.270   7.5671   91.698   9.4277 21.57138 12.08900 
1 1 1    4   24   25 o   39.537   2.4454  186.132   22.719  163.200   31.911  209.700   32.351   36.796   3.7240   41.837   3.3015 -5.041382 4.976779 
1 1 1    4   24   26 o   68.007   3.7366  554.423   59.774  500.700   84.203  609.000   84.869   64.001   5.6288   70.832   5.1083 -6.831207 7.601217 
1 1 1    4   24   27 o   88.605   5.0194  952.244  104.587  970.000  147.522  934.300  148.299   88.250   7.1403   86.482   7.3309 1.768593 10.23358 
1 1 1    4   24   28 o   10.312   1.7191   12.931   4.0388   7.2000   5.7022   18.700   5.7212   7.9609   2.6194   12.400   2.0237 -4.438954 3.310095 
1 1 1    4   24   29 o   68.584   3.8921  566.778   62.773  541.000   88.650  592.700   88.899   66.233   5.7244   69.474   5.4630 -3.241318 7.912846 
1 1 1    4   24   30 o   49.891   3.0505  298.409   35.765  306.500   50.397  290.200   50.764   50.199   4.2928   48.782   4.4561 1.417431 6.187518 
1 1 1    4   24   31 o   81.660   4.6748  814.145   89.769  826.100  126.714  802.100  127.191   80.888   6.6943   79.590   6.8339 1.297531 9.566346 
1 1 1    4   24   32 o   61.217   3.3253  451.765   47.888  394.400   67.244  510.800   68.216   56.399   5.1045   64.565   4.5025 -8.165932 6.806486 
1 1 1    4   24   33 o   12.462   1.7584   18.803   5.0307   22.200   6.9658   15.100   7.2729   13.466   2.2715   11.015   2.7923 2.450317 3.599556 
1 1 1    4   24   34 o   15.003   1.6852   27.080   5.8673   23.500   8.0677   31.100   8.5484   13.790   2.5721   15.968   2.3362 -2.177921 3.474666 
1 1 1    4   24   35 o   35.495   2.2847  151.397   19.048  138.300   26.638  165.100   27.247   33.558   3.4089   36.785   3.1677 -3.227558 4.653457 
1 1 1    4   24   36 o   60.118   3.4989  443.468   49.455  415.900   69.774  471.300   70.107   56.894   5.2529   60.886   4.9182 -3.991825 7.195909 
1 1 1    4   24   37 o   51.584   3.1545  325.451   38.240  324.600   54.111  326.300   54.048   50.566   4.5815   50.714   4.5621 -0.1477814 6.465559 
1 1 1    4   24   38 o   20.168   1.7760   48.906   8.3716   54.300   12.004   43.800   11.681   21.094   2.4560   18.848   2.7016 2.245317 3.651142 
1 1 1    4   24   39 o   5.5714   1.6803   3.7311   2.3945   7.5000   3.3726  -0.1000   3.4002   7.7681   1.8627   4.3526   1.8616 3.415511 2.633468 
1 1 1    4   24   40 o   39.099   2.5602  185.817   23.507  183.900   32.970  187.800   33.525   38.317   3.6894   38.710   3.7131 -0.3929024 5.234423 
1 1 1    4   24   41 o   13.832   1.6882   23.202   5.3997   18.100   7.6011   28.400   7.6720   11.954   2.7500   15.198   2.2018 -3.244175 3.522828 
1 1 1    4   24   42 o   16.837   1.7395   34.333   6.8160   30.800   9.6167   37.900   9.6620   15.663   2.6975   17.511   2.3998 -1.848422 3.610426 
1 1 1    4   24   43 o   11.338   1.6676   15.734   4.3313   13.000   6.0548   18.600   6.1986   10.113   2.5391   12.200   2.2340 -2.086467 3.381997 
1 1 1    4   24   44 o   30.055   2.2316  110.762   15.724  119.300   22.158  102.100   22.319   30.685   3.1006   28.158   3.4274 2.526682 4.621716 
1 1 1    4   24   45 o   18.586   1.7997   42.119   7.7998   44.200   10.980   40.000   11.082   18.761   2.5442   17.754   2.7309 1.007107 3.732373 
1 1 1    4   24   46 o   14.280   1.7324   24.971   5.7220   26.100   8.0182   23.800   8.1681   14.361   2.4525   13.634   2.6325 0.7272596 3.597873 
1 1 1    4   24   47 o   15.805   1.7748   30.652   6.5093   29.900   8.9389   31.500   9.4974   15.307   2.5637   15.677   2.6607 -0.3699236 3.694807 
1 1 1    4   24   48 o   13.268   1.8387   21.893   5.6058   23.600   7.5536   19.800   8.3639   13.537   2.4534   12.178   2.9415 1.358451 3.830369 
1 1 1    4   24   49 o   8.0690   2.3375   8.5000   4.7109   8.5000   4.7109   0.0000   0.0000   8.0690   2.3375  ?   ?  0.000000 2.337476 
1 1 1    4   24   50 o   10.348   2.6106   14.700   6.3786   14.700   6.3786   0.0000   0.0000   10.348   2.6106  ?   ?  0.000000 2.610568 
1 1 1    4   24   51 o   17.525   2.8474   43.000   11.378   43.000   11.378   0.0000   0.0000   17.525   2.8474  ?   ?  0.000000 2.847365 
1 1 1    4   24   52 o   5.7079   2.2130   3.3000   4.2606   3.3000   4.2606   0.0000   0.0000   5.7079   2.2130  ?   ?  0.000000 2.213031 
1 1 1    4   24   53 o   7.6224   2.7169   7.9000   6.1669   7.9000   6.1669   0.0000   0.0000   7.6224   2.7169  ?   ?  0.000000 2.716929 
1 1 1    4   25    0 o   89.819   7.2111  974.700  150.676  974.700  150.676  974.700  150.676   89.819   7.2111   89.819   7.2111 0.000000 0.000000 
1 1 1    4   25    1 o  150.904   7.8818  2722.98  279.885  3026.00  396.787  2422.90  394.854  158.292   10.678  141.151   11.959 17.14043 16.03221 
1 1 1    4   25    2 o  128.813   6.8574  1979.56  207.832  1770.40  293.543  2189.80  294.296  120.973   10.376  134.933   9.2931 -13.95934 13.92948 
1 1 1    4   25    3 f  156.509   8.2106  2931.88  302.386  2620.10  426.601  3246.70  428.682  146.630   12.438  163.806   11.149 -17.17644 16.70345 
1 1 1    4   25    4 o   73.699   4.1714  645.187   72.297  570.900  102.268  719.400  102.218   69.021   6.3459   77.656   5.6121 -8.635704 8.471444 
1 1 1    4   25    5 o   91.454   5.0441  994.704  108.508  1020.30  153.592  969.200  153.314   92.303   7.1013   89.915   7.2835 2.388451 10.17237 
1 1 1    4   25    6 o   58.927   3.4175  412.181   47.350  402.700   66.721  421.800   67.207   58.076   4.9113   59.458   4.8285 -1.381290 6.887307 
1 1 1    4   25    7 o  159.209   7.4179  3021.72  278.876  3673.80  396.432  2382.90  392.379  174.719   9.6461  139.829   12.000 34.88986 15.39622 
1 1 1    4   25    8 o  192.330   10.088  4459.75  456.569  4767.40  647.110  4154.80  644.270  197.017   14.001  183.330   15.014 13.68700 20.52897 
1 1 1    4   25    9 o  238.588   12.411  6929.64  696.798  7526.70  988.518  6340.00  982.354  245.371   17.169  223.918   18.751 21.45363 25.42420 
1 1 1    4   25   10 o  155.870   8.1591  2912.41  299.265  3146.10  424.079  2680.60  422.376  160.958   11.228  148.147   12.182 12.81143 16.56687 
1 1 1    4   25   11 o   94.079   5.1068  1053.50  113.024  999.000  159.697  1108.20  159.984   91.179   7.4831   96.145   7.0970 -4.965286 10.31330 
1 1 1    4   25   12 o   93.046   4.8716  1030.13  106.663  869.700  150.600  1191.60  151.091   84.980   7.5846   99.817   6.4446 -14.83693 9.952875 
1 1 1    4   25   13 o  259.920   13.739  8337.17  840.254  9413.20  1189.48  7265.40  1187.12  271.357   18.677  235.261   21.610 36.09592 28.56297 
1 1 1    4   25   14 o  155.147   7.8331  2891.55  286.043  3423.50  405.080  2362.50  403.973  167.844   10.270  138.341   12.501 29.50287 16.17890 
1 1 1    4   25   15 o  205.777   11.187  5180.88  541.551  5405.50  766.156  4956.60  765.581  206.660   15.820  197.193   16.596 9.466873 22.92798 
1 1 1    4   25   16 o  127.162   6.8716  1941.46  205.570  1899.10  290.238  1984.10  291.204  124.639   9.9442  127.498   9.7462 -2.858994 13.92387 
1 1 1    4   25   17 o  162.205   8.7070  3193.84  332.282  3599.10  470.126  2789.30  469.710  170.337   11.760  148.708   13.524 21.62984 17.92205 
1 1 1    4   25   18 o   21.879   1.8564   56.995   9.5004   53.400   13.427   60.600   13.445   21.057   2.7672   22.481   2.5793 -1.423666 3.782923 
1 1 1    4   25   19 o   65.569   3.6677  512.093   56.560  461.000   79.866  563.500   80.111   61.847   5.5269   68.546   4.9835 -6.699051 7.441882 
1 1 1    4   25   20 o   66.756   3.6450  531.119   57.240  596.900   81.155  466.000   80.745   70.524   4.9037   62.117   5.5637 8.406219 7.416315 
1 1 1    4   25   21 o   83.236   4.7027  830.572   92.053  929.100  130.103  731.800  130.264   87.525   6.3379   77.312   7.2189 10.21329 9.606295 
1 1 1    4   25   22 o  107.209   6.0046  1391.94  151.399  1447.70  213.743  1335.80  214.480  108.041   8.4452  103.509   8.8603 4.531670 12.24036 
1 1 1    4   25   23 o   85.918   4.7182  887.733   95.358  1076.90  134.935  699.000  134.780   94.096   6.1058   75.044   7.7157 19.05198 9.839330 
1 1 1    4   25   24 o   47.480   2.8524  268.842   31.832  250.600   44.766  287.500   45.273   45.564   4.2083   48.887   3.9557 -3.323711 5.775520 
1 1 1    4   25   25 o   97.364   4.6038  1140.21  105.848  880.500  148.682  1407.10  150.722   83.963   7.5808  107.341   5.9699 -23.37801 9.649282 
1 1 1    4   25   26 o   74.819   4.1632  673.855   73.262  630.800  103.200  717.600  104.022   71.567   6.1668   76.541   5.7984 -4.973724 8.464698 
1 1 1    4   25   27 o   46.311   2.7711  256.138   30.165  233.500   42.417  279.300   42.906   43.896   4.1412   48.131   3.8061 -4.235680 5.624562 
1 1 1    4   25   28 o   75.669   4.3782  692.914   77.895  727.000  109.897  658.500  110.426   76.638   6.1238   72.707   6.5004 3.931938 8.930616 
1 1 1    4   25   29 o   54.540   3.2199  356.918   41.285  343.300   58.318  370.600   58.454   53.007   4.7081   55.157   4.5279 -2.150047 6.532146 
1 1 1    4   25   30 o   48.759   3.0198  285.307   34.599  319.800   48.855  250.600   49.006   51.308   4.0656   45.176   4.6608 6.132690 6.184865 
1 1 1    4   25   31 o   55.911   3.1470  376.052   41.380  326.300   58.233  426.800   58.813   51.410   4.8544   59.142   4.2394 -7.732494 6.444911 
1 1 1    4   25   32 o   38.918   2.4473  181.535   22.376  169.800   31.364  193.700   31.933   37.309   3.6050   39.930   3.4197 -2.621582 4.968880 
1 1 1    4   25   33 o   69.775   3.9221  595.954   64.360  560.100   90.343  632.900   91.709   66.238   5.8356   70.694   5.5380 -4.455917 8.045081 
1 1 1    4   25   34 o   37.086   2.4053  165.454   20.950  156.800   29.386  174.400   29.876   35.720   3.5302   37.744   3.3882 -2.024323 4.893033 
1 1 1    4   25   35 o   41.810   2.6677  211.375   26.200  207.500   36.935  215.300   37.172   40.899   3.8704   41.692   3.8181 -0.7936325 5.436743 
1 1 1    4   25   36 o   20.902   1.8775   52.559   9.1677   55.800   12.850   49.200   13.083   21.366   2.6007   19.973   2.8553 1.393013 3.862160 
1 1 1    4   25   37 o   15.825   1.7294   30.209   6.3575   33.400   8.9788   27.000   9.0031   16.506   2.3718   14.730   2.6873 1.775352 3.584305 
1 1 1    4   25   38 o   7.0973   1.7077   6.2479   2.8273   5.0000   3.9206   7.6000   4.0811   6.5935   2.1721   7.8342   2.1438 -1.240652 3.051841 
1 1 1    4   25   39 f   35.777   2.4121  155.112   20.259  170.500   28.639  139.700   28.662   37.113   3.3024   33.371   3.6995 3.741951 4.959110 
1 1 1    4   25   40 o   32.169   2.2773  125.432   17.187  132.800   24.254  118.000   24.359   32.713   3.1800   30.706   3.4174 2.007278 4.668102 
1 1 1    4   25   41 o   7.9266   1.7212   7.8084   3.1294  10.0000   4.4691   5.7000   4.3834   8.9300   2.1460   6.9902   2.2964 1.939734 3.143110 
1 1 1    4   25   42 o   39.467   2.6099  191.568   24.186  197.600   34.153  185.500   34.255   39.293   3.7253   37.943   3.8777 1.350853 5.377261 
1 1 1    4   25   43 o   17.433   1.7562   36.936   7.1311   35.300   10.042   38.600   10.128   16.752   2.6248   17.575   2.5120 -0.8230667 3.633171 
1 1 1    4   25   44 o   11.800   1.7108   17.106   4.6281   19.700   6.5371   14.500   6.5530   12.508   2.2980   10.623   2.6270 1.884528 3.490307 
1 1 1    4   25   45 o   16.868   1.7869   34.749   7.0091   33.800   9.6694   35.800   10.175   16.344   2.5919   16.805   2.6520 -0.4609032 3.708248 
1 1 1    4   25   46 o   11.724   2.0243   17.208   5.4018   25.200   7.2938   7.5000   8.0392   14.160   2.2571   8.3468   3.0838 5.813449 3.821596 
1 1 1    4   25   47 f   28.953   2.2120  104.180   15.009  105.800   21.035  102.500   21.422   28.442   3.1867   27.879   3.3192 0.5627289 4.601336 
1 1 1    4   25   48 o   9.0478   2.0233   10.516   4.2145   14.900   5.5411   4.5000   6.4915   10.724   2.2595   6.9775   2.7243 3.746464 3.539348 
1 1 1    4   25   49 o   5.0797   1.8925   2.6000   3.0403   2.6000   3.0403   0.0000   0.0000   5.0797   1.8925  ?   ?  0.000000 1.892530 
1 1 1    4   25   50 o   6.0208   2.2377   4.0000   4.2453   4.0000   4.2453   0.0000   0.0000   6.0208   2.2377  ?   ?  0.000000 2.237693 
1 1 1    4   25   51 o   14.278   2.7848   28.800   9.0516   28.800   9.0516   0.0000   0.0000   14.278   2.7848  ?   ?  0.000000 2.784809 
1 1 1    4   25   52 o   5.6028   2.2502   2.7000   4.5473   2.7000   4.5473   0.0000   0.0000   5.6028   2.2502  ?   ?  0.000000 2.250194 
1 1 1    4   26    0 o  189.898   14.945  4418.30  660.614  4418.30  660.614  4418.30  660.614  189.898   14.945  189.898   14.945 0.000000 0.000000 
1 1 1    4   26    1 o  101.193   5.4751  1218.95  130.342  1359.80  184.461  1078.50  184.204  106.556   7.3764   94.641   8.3273 11.91499 11.12453 
1 1 1    4   26    2 o   97.847   5.1873  1138.98  119.426  1359.00  169.210  920.600  168.581  106.642   6.7543   87.393   8.2673 19.24977 10.67562 
1 1 1    4   26    3 o  201.605   10.906  4915.16  517.240  4821.20  731.139  5009.30  731.838  197.109   15.842  201.125   15.530 -4.016296 22.18438 
1 1 1    4   26    4 o  163.910   8.8780  3226.50  342.342  3103.00  484.249  3349.90  484.041  159.210   12.994  165.690   12.463 -6.479874 18.00449 
1 1 1    4   26    5 o  133.766   7.2309  2138.92  227.553  2206.70  322.011  2071.30  321.605  135.076   10.170  130.739   10.506 4.337189 14.62222 
1 1 1    4   26    6 o  165.273   8.7375  3279.52  339.789  3612.80  481.319  2948.40  479.752  172.295   11.903  155.015   13.233 17.28038 17.79901 
1 1 1    4   26    7 o  133.172   7.2116  2120.66  225.935  2118.80  319.999  2122.50  319.043  132.245   10.329  132.374   10.288 -0.1290741 14.57828 
1 1 1    4   26    8 o  131.128   6.1110  2045.23  189.222  2490.40  269.154  1610.20  266.073  144.122   7.9394  115.271   9.8702 28.85050 12.66707 
1 1 1    4   26    9 o   30.369   2.1596  109.545   15.386  114.100   21.892  105.100   21.628   30.909   3.0388   29.640   3.1378 1.268677 4.368042 
1 1 1    4   26   10 o   63.333   3.2892  475.964   49.020  560.000   69.849  394.400   68.814   68.594   4.3346   57.407   5.1303 11.18669 6.716315 
1 1 1    4   26   11 o   21.336   1.9525   54.245   9.7281   39.600   13.876   68.400   13.642   17.998   3.3894   23.928   2.4489 -5.930601 4.181513 
1 1 1    4   26   12 o  245.703   13.423  7463.57  775.862  7919.70  1097.69  7008.20  1096.78  247.764   18.905  231.567   20.262 16.19737 27.71135 
1 1 1    4   26   13 o   79.039   4.4142  743.708   82.058  736.100  116.108  751.300  115.987   78.292   6.3346   79.117   6.2595 -0.8250198 8.905531 
1 1 1    4   26   14 f  291.817   16.536 10887.97  1134.76 11314.70  1605.13 10461.60  1604.44  285.788   24.008  272.769   25.194 13.01825 34.80107 
1 1 1    4   26   15 o  111.158   5.6606  1477.80  148.090  1803.00  209.738  1154.50  209.124  122.312   7.2950   97.145   9.2271 25.16676 11.76250 
1 1 1    4   26   16 o   40.448   2.5636  194.395   24.359  199.600   34.467  189.200   34.431   40.864   3.6090   39.762   3.7098 1.101444 5.175690 
1 1 1    4   26   17 o   50.151   2.9877  299.071   35.221  321.000   49.843  277.200   49.777   51.806   4.1081   48.064   4.4359 3.742355 6.045939 
1 1 1    4   26   18 o   57.162   3.3399  389.045   44.885  392.400   63.526  385.700   63.429   57.167   4.7490   56.666   4.7851 0.5007248 6.741605 
1 1 1    4   26   19 o   48.225   2.9010  276.760   32.882  294.000   46.556  259.600   46.448   49.537   4.0145   46.481   4.2799 3.056339 5.868051 
1 1 1    4   26   20 o  129.362   7.1136  2039.31  216.465  2189.30  306.164  1889.40  306.091  132.176   9.8808  122.122   10.723 10.05433 14.58126 
1 1 1    4   26   21 o   60.388   3.4157  435.153   48.507  491.600   68.689  379.000   68.510   63.938   4.5799   55.929   5.2489 8.008976 6.966043 
1 1 1    4   26   22 o   42.745   2.6688  217.671   26.803  257.700   37.919  177.700   37.892   46.388   3.4872   38.318   4.2598 8.069649 5.505158 
1 1 1    4   26   23 o  126.820   7.2246  1985.46  215.456  2196.10  304.405  1774.00  304.999  130.932   9.9193  116.339   11.242 14.59281 14.99275 
1 1 1    4   26   24 o   70.485   4.0042  596.700   66.371  584.700   93.668  608.800   94.058   69.136   5.7909   70.597   5.6905 -1.461197 8.118874 
1 1 1    4   26   25 o   46.605   2.8974  259.478   31.729  268.600   44.683  250.200   45.061   47.163   4.0515   45.456   4.2473 1.706509 5.869744 
1 1 1    4   26   26 o   63.405   3.7458  483.166   55.833  506.000   78.676  460.000   79.247   64.367   5.2213   61.224   5.5416 3.142952 7.613885 
1 1 1    4   26   27 o   57.140   3.3759  391.752   45.348  392.000   63.865  391.500   64.403   56.696   4.8159   56.642   4.8622 0.5373764E-01 6.843517 
1 1 1    4   26   28 o  126.371   7.0115  2004.50  208.408  1862.00  294.020  2148.40  295.451  117.247   10.739  127.166   9.9175 -9.918915 14.61788 
1 1 1    4   26   29 o   87.929   4.8612  945.028  100.543  886.700  141.682  1004.20  142.703   83.444   7.2628   89.203   6.8265 -5.758667 9.967457 
1 1 1    4   26   30 o   8.8234   1.6693   9.5345   3.3506   4.9000   4.6588   14.500   4.8223   6.7913   2.3665   10.888   1.9471 -4.096775 3.064580 
1 1 1    4   26   31 o   30.524   2.1337  111.455   15.283  101.400   21.513  121.700   21.715   28.866   3.2106   31.727   2.9316 -2.861261 4.347670 
1 1 1    4   26   32 o   46.761   2.8174  263.449   30.965  240.000   43.560  287.400   44.024   44.068   4.2384   48.423   3.8829 -4.354729 5.748062 
1 1 1    4   26   33 o   41.736   2.6272  209.977   25.760  203.900   36.214  216.200   36.649   40.666   3.8159   41.918   3.7419 -1.251446 5.344393 
1 1 1    4   26   34 o   40.613   2.3874  198.461   22.795  164.000   31.691  235.400   32.811   36.403   3.7398   43.934   3.1843 -7.530800 4.911789 
1 1 1    4   26   35 o   18.522   2.0315   41.486   8.7391   54.400   12.058   27.200   12.683   21.135   2.4623   14.601   3.6799 6.533624 4.427698 
1 1 1    4   26   36 o   8.0391   1.9440   8.0306   3.6499   10.400   4.7182   4.5000   5.7594   9.1331   2.2114   6.9697   2.6032 2.163445 3.415669 
1 1 1    4   26   37 f   37.356   2.4976  169.036   21.904  184.100   30.941  153.900   31.015   38.571   3.4330   35.056   3.8079 3.514980 5.126933 
1 1 1    4   26   38 f   47.927   2.9833  281.061   33.596  285.400   47.450  276.700   47.573   47.434   4.2825   46.634   4.3711 0.7996674 6.119343 
1 1 1    4   26   39 f   22.010   1.8585   58.386   9.5689   64.700   13.548   52.100   13.517   22.985   2.5385   20.491   2.8725 2.493971 3.833452 
1 1 1    4   26   40 o   16.435   1.7255   32.671   6.5963   29.800   9.2821   35.600   9.3758   15.443   2.6403   16.983   2.4051 -1.540776 3.571518 
1 1 1    4   26   41 o   48.863   3.0898  297.168   35.468  298.900   49.895  295.400   50.427   47.691   4.4832   47.317   4.5701 0.3734550 6.401933 
1 1 1    4   26   42 o   4.9334   1.6495   2.7589   2.2584   6.0000   3.0819  -1.0000   3.3189   6.9367   1.8482   4.0140   1.7755 2.922724 2.562821 
1 1 1    4   26   43 o   10.054   1.7398   12.507   3.9811   12.100   5.6778   12.900   5.5836   9.7402   2.4662   10.068   2.3852 -0.3276043 3.430935 
1 1 1    4   26   44 o   33.789   2.3521  140.828   18.650  136.100   26.313  145.600   26.438   32.403   3.4943   33.621   3.3756 -1.218533 4.858479 
1 1 1    4   26   45 o   16.973   1.6850   35.094   6.6643   28.200   8.9671   43.600   9.9604   14.858   2.6532   18.706   2.3036 -3.848280 3.513719 
1 1 1    4   26   46 o   20.835   1.9967   53.484   9.7034   61.700   13.499   44.700   13.958   22.062   2.6438   18.363   3.3421 3.699394 4.261340 
1 1 1    4   26   47 f   28.645   2.2046  102.568   14.798  103.400   20.710  101.700   21.152   27.941   3.1963   27.602   3.3112 0.3386002 4.602273 
1 1 1    4   26   48 o   24.527   2.1589   76.288   12.376   89.700   17.321   62.300   17.689   25.947   2.8753   20.804   3.7382 5.142599 4.716091 
1 1 1    4   26   49 o   16.958   2.6973   39.000   10.439   39.000   10.439   0.0000   0.0000   16.958   2.6973  ?   ?  0.000000 2.697257 
1 1 1    4   26   50 o   6.0918   2.2209   4.3000   4.1485   4.3000   4.1485   0.0000   0.0000   6.0918   2.2209  ?   ?  0.000000 2.220856 
1 1 1    4   26   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   26   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   27    0 o   71.536   5.8925  618.400   97.984  618.400   97.984  618.400   97.984   71.536   5.8925   71.536   5.8925 -0.000000 0.000000 
1 1 1    4   27    1 o   79.639   4.1578  753.397   77.920  909.500  110.662  599.900  109.734   87.356   5.3910   70.671   6.6540 16.68531 8.563792 
1 1 1    4   27    2 o  163.523   8.8145  3214.39  339.102  2998.30  479.389  3430.80  479.737  156.232   13.116  167.611   12.205 -11.37952 17.91593 
1 1 1    4   27    3 o   31.315   2.1926  116.461   16.111  105.400   22.645  127.800   22.927   29.665   3.2879   32.734   2.9994 -3.068876 4.450484 
1 1 1    4   27    4 o   43.426   2.7141  223.858   27.692  211.400   39.097  236.400   39.229   42.060   3.9840   44.524   3.7665 -2.464558 5.482652 
1 1 1    4   27    5 o  286.451   15.696 10211.83  1057.69  9347.00  1494.44 11079.80  1497.16  264.987   24.148  291.489   21.912 -26.50262 32.60759 
1 1 1    4   27    6 o  133.335   7.2589  2128.76  227.688  1898.40  322.079  2358.90  321.920  124.734   11.049  139.589   9.8292 -14.85441 14.78848 
1 1 1    4   27    7 o   31.466   2.1755  117.582   16.066  133.000   22.924  102.700   22.522   33.403   2.9361   29.271   3.3169 4.131863 4.429757 
1 1 1    4   27    8 o   79.744   4.4836  756.641   84.086  643.600  118.963  869.500  118.867   73.102   6.9763   85.268   5.9406 -12.16664 9.162989 
1 1 1    4   27    9 o  167.563   9.1849  3392.29  362.041  3054.60  512.265  3729.30  511.742  156.637   13.997  174.042   12.536 -17.40498 18.79007 
1 1 1    4   27   10 o   81.742   4.1903  794.535   80.611  912.700  114.800  679.600  113.220   87.396   5.5920   75.201   6.4379 12.19521 8.527485 
1 1 1    4   27   11 o  194.091   10.577  4597.27  482.922  4632.00  684.216  4562.80  681.701  191.525   15.255  190.029   15.322 1.496002 21.62157 
1 1 1    4   27   12 f  114.962   6.3067  1583.63  170.552  1214.80  241.224  1952.30  241.171   99.328   10.441  127.108   8.0770 -27.77979 13.20037 
1 1 1    4   27   13 o  149.335   7.8552  2693.23  276.029  2876.20  391.574  2512.50  389.164  152.773   10.927  142.313   11.684 10.45969 15.99673 
1 1 1    4   27   14 o   94.671   5.1899  1071.44  115.580  1014.00  163.370  1129.00  163.538   91.431   7.6368   96.642   7.2184 -5.210289 10.50835 
1 1 1    4   27   15 o   91.044   5.0686  991.573  108.537  1013.10  153.237  969.900  153.752   91.449   7.1531   89.404   7.3479 2.045128 10.25472 
1 1 1    4   27   16 o  104.888   5.5781  1320.27  137.662  1504.00  194.915  1137.40  194.453  111.279   7.4609   96.230   8.6498 15.04879 11.42296 
1 1 1    4   27   17 o  148.079   8.1733  2681.31  284.685  2779.00  402.477  2583.50  402.735  148.231   11.591  142.489   12.083 5.742020 16.74368 
1 1 1    4   27   18 o  119.372   6.5576  1726.79  184.138  1686.30  260.364  1767.30  260.456  116.302   9.5653  119.232   9.3250 -2.930359 13.35859 
1 1 1    4   27   19 o   97.356   5.3817  1142.16  123.241  1170.80  174.399  1113.60  174.180   97.594   7.6283   95.067   7.8286 2.526802 10.93061 
1 1 1    4   27   20 o   34.165   2.3477  138.966   18.825  118.100   26.664  159.700   26.580   31.276   3.6809   36.530   3.1111 -5.253853 4.819509 
1 1 1    4   27   21 o   62.823   3.5706  471.902   52.750  437.100   74.495  506.900   74.704   59.995   5.3134   64.762   4.9218 -4.767578 7.242636 
1 1 1    4   27   22 o   65.978   3.7871  521.752   58.754  502.000   83.096  541.500   83.086   64.170   5.5381   66.744   5.3158 -2.573822 7.676478 
1 1 1    4   27   23 o  103.627   5.7437  1308.83  139.999  1394.90  198.069  1222.90  197.908  105.461   8.0135   98.267   8.6159 7.194244 11.76651 
1 1 1    4   27   24 o   67.072   3.8842  540.614   61.255  577.500   86.553  503.600   86.702   68.794   5.3706   64.042   5.7961 4.751534 7.901777 
1 1 1    4   27   25 o   44.743   2.7778  239.149   29.204  239.000   41.187  239.300   41.414   44.463   3.9644   44.486   3.9846 -0.2281952E-01 5.620820 
1 1 1    4   27   26 o   60.669   3.5195  442.028   50.205  428.500   70.812  455.700   71.190   59.180   5.1176   61.098   4.9777 -1.918037 7.139125 
1 1 1    4   27   27 o   59.754   3.4690  429.177   48.738  419.400   68.670  439.100   69.184   58.506   5.0192   59.909   4.9344 -1.403042 7.038507 
1 1 1    4   27   28 o   69.269   3.9483  580.321   64.315  558.300   90.590  602.700   91.324   67.038   5.7791   69.778   5.5894 -2.739975 8.039892 
1 1 1    4   27   29 o   76.567   4.3946  715.146   79.122  719.700  111.942  710.600  111.850   75.530   6.3349   75.019   6.3743 0.5111923 8.986814 
1 1 1    4   27   30 o   33.334   2.2906  133.052   17.921  134.600   25.329  131.500   25.359   33.293   3.2638   32.891   3.3100 0.4019661 4.648485 
1 1 1    4   27   31 o   59.959   3.5425  437.038   49.933  457.700   70.637  416.400   70.595   60.528   4.9865   57.544   5.2532 2.983593 7.243074 
1 1 1    4   27   32 o   47.634   2.7692  273.782   31.014  241.700   43.357  307.400   44.382   44.124   4.2124   50.029   3.7849 -5.905064 5.663039 
1 1 1    4   27   33 o   66.709   3.8680  548.215   60.669  516.500   85.551  580.300   86.048   63.141   5.8029   67.281   5.4632 -4.140911 7.969970 
1 1 1    4   27   34 o   25.550   1.9932   78.446   11.930   78.200   16.751   78.700   16.996   25.280   2.8561   25.351   2.8908 -0.7102013E-01 4.063756 
1 1 1    4   27   35 o   25.242   2.0617   76.739   12.181   86.400   17.106   66.800   17.351   26.595   2.7643   23.192   3.2581 3.402866 4.272818 
1 1 1    4   27   36 o   50.514   3.0983  312.087   36.779  307.800   51.639  316.500   52.395   49.245   4.4901   49.939   4.4911 -0.6943970 6.350646 
1 1 1    4   27   37 o   61.937   3.7058  476.599   53.950  471.300   75.934  482.000   76.666   59.937   5.4239   60.631   5.4117 -0.6937256 7.661919 
1 1 1    4   27   38 o   12.506   1.7065   19.005   4.9078   16.200   6.5889   22.500   7.3557   11.362   2.5216   13.467   2.4012 -2.104348 3.482009 
1 1 1    4   27   39 o   40.342   2.5961  198.668   24.600  191.100   34.717  206.300   34.862   38.824   3.8371   40.452   3.6902 -1.627853 5.323632 
1 1 1    4   27   40 o   26.518   2.0361   85.230   12.652   82.800   17.821   87.700   17.965   25.759   2.9852   26.551   2.9132 -0.7927341 4.171124 
1 1 1    4   27   41 o   28.359   2.1163   97.854   14.070   99.100   19.868   96.600   19.927   28.107   3.0420   27.718   3.0975 0.3893661 4.341510 
1 1 1    4   27   42 o   3.7752   1.4809   1.0110   1.9253   6.8000   2.6014  -6.0000   2.8629   7.3996   1.5390   2.6447   1.3017 4.754859 2.015638 
1 1 1    4   27   43 o   21.597   1.9302   56.931   9.7402   57.800   13.540   56.000   14.022   21.420   2.7398   21.000   2.9055 0.4203396 3.993546 
1 1 1    4   27   44 o  ?   ?   -4.2246   0.4870  -4.0000   0.5025  -7.7000   1.9770  ?   ?   ?   ?  0.000000      ? 
1 1 1    4   27   45 o   18.055   1.7866   39.863   7.5169   36.200   10.382   43.900   10.898   16.832   2.7035   18.644   2.5416 -1.812035 3.710595 
1 1 1    4   27   46 o   5.0448   1.6922   2.9270   2.3770   1.4000   2.7241   7.8000   4.8664   4.4406   1.7553   7.8589   2.4010 -3.418215 2.974228 
1 1 1    4   27   47 o   11.950   1.6298   17.725   4.4790   11.600   6.0415   25.200   6.6744   9.3491   2.6275   14.100   2.0658 -4.751179 3.342348 
1 1 1    4   27   48 o   14.198   2.6214   27.100   8.4650   27.100   8.4650   0.0000   0.0000   14.198   2.6214  ?   ?  0.000000 2.621391 
1 1 1    4   27   49 o   24.166   3.1710   83.100   17.659   83.100   17.659   0.0000   0.0000   24.166   3.1710  ?   ?  0.000000 3.170987 
1 1 1    4   27   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   27   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   28    0 o   84.442   6.8267  862.600  134.077  862.600  134.077  862.600  134.077   84.442   6.8267   84.442   6.8267 0.000000 0.000000 
1 1 1    4   28    1 o  134.310   7.2422  2161.31  228.840  2038.50  323.316  2284.60  323.943  129.322   10.683  137.186   10.070 -7.863464 14.68131 
1 1 1    4   28    2 o   92.309   4.4845  1010.70   97.751  1344.00  138.906  683.700  137.585  106.174   5.5597   75.172   7.8675 31.00155 9.633688 
1 1 1    4   28    3 o  128.900   6.9560  1989.43  210.943  1780.30  298.161  2199.00  298.476  120.811   10.558  134.771   9.4385 -13.96005 14.16150 
1 1 1    4   28    4 o  119.946   6.5289  1720.80  184.225  1653.30  260.346  1788.50  260.720  116.715   9.5294  121.547   9.1509 -4.832191 13.21174 
1 1 1    4   28    5 o   65.478   3.6642  509.446   56.427  545.200   80.144  474.300   79.460   67.555   5.0608   62.930   5.3995 4.625629 7.400419 
1 1 1    4   28    6 o  140.359   7.4325  2365.01  245.464  2510.50  348.088  2221.10  346.198  143.539   10.339  134.701   10.980 8.837479 15.08128 
1 1 1    4   28    7 o   93.979   5.1639  1053.26  114.156  1063.50  161.779  1043.10  161.106   93.963   7.3498   93.041   7.3939 0.9220352 10.42539 
1 1 1    4   28    8 o  142.276   6.6792  2419.77  224.397  2923.90  319.071  1926.40  315.649  155.494   8.7251  125.302   10.773 30.19120 13.86287 
1 1 1    4   28    9 o  136.493   7.2002  2239.50  231.247  1690.80  326.811  2789.70  327.255  116.640   12.039  151.564   9.1873 -34.92319 15.14378 
1 1 1    4   28   10 o  127.676   5.7146  1944.64  172.288  2437.70  245.911  1469.30  241.453  142.294   7.3437  109.650   9.4167 32.64402 11.94166 
1 1 1    4   28   11 o   78.626   4.4045  736.960   81.447  735.400  115.564  738.500  114.807   78.149   6.3163   78.328   6.2594 -0.1789398 8.892463 
1 1 1    4   28   12 o   54.868   3.1834  357.956   41.068  378.300   58.215  337.800   57.944   56.234   4.4197   53.077   4.6708 3.156845 6.430409 
1 1 1    4   28   13 o   11.661   1.7987   16.451   4.7936   11.900   6.8989   20.700   6.6655   9.9032   2.8164   13.044   2.2450 -3.140888 3.601668 
1 1 1    4   28   14 o   99.637   4.8374  1184.16  113.813  1410.70  161.915  962.900  160.015  108.172   6.3669   88.851   7.7029 19.32123 9.993627 
1 1 1    4   28   15 o   30.055   2.1797  107.455   15.364   91.100   21.764  123.700   21.692   27.490   3.4273   32.176   2.8857 -4.685377 4.480303 
1 1 1    4   28   16 o   70.558   3.4607  591.544   57.660  732.600   82.276  455.400   80.831   78.232   4.4724   61.341   5.6437 16.89037 7.200885 
1 1 1    4   28   17 o   70.035   3.9785  586.348   65.524  571.600   92.659  601.100   92.670   68.681   5.7667   70.489   5.6140 -1.807869 8.048110 
1 1 1    4   28   18 o   71.675   4.0619  614.850   68.465  615.100   96.791  614.600   96.858   71.194   5.8081   71.162   5.8148 0.3118896E-01 8.218628 
1 1 1    4   28   19 o   43.261   2.6814  222.931   27.257  230.800   38.595  215.100   38.500   43.837   3.7649   42.282   3.9000 1.554966 5.420743 
1 1 1    4   28   20 o  110.584   6.1078  1490.33  158.875  1397.50  224.598  1583.30  224.769  105.073   9.1433  112.355   8.5357 -7.282349 12.50838 
1 1 1    4   28   21 f   62.416   3.6156  466.556   53.060  486.800   75.028  446.300   75.049   63.340   5.0585   60.550   5.3023 2.789181 7.328259 
1 1 1    4   28   22 o  128.513   7.1925  2046.92  217.391  2001.00  307.345  2092.90  307.529  123.681   10.627  126.804   10.361 -3.122719 14.84179 
1 1 1    4   28   23 o   46.539   2.8530  258.699   31.201  269.000   44.128  248.400   44.122   47.204   3.9965   45.302   4.1714 1.901688 5.776896 
1 1 1    4   28   24 o   60.730   3.4914  442.428   49.858  478.200   70.581  406.800   70.438   62.716   4.8024   57.660   5.2303 5.056229 7.100654 
1 1 1    4   28   25 o   67.136   3.8090  542.477   60.136  501.100   84.919  584.100   85.171   63.768   5.6995   69.089   5.2601 -5.320541 7.755887 
1 1 1    4   28   26 o   53.414   3.2525  342.486   40.828  390.900   57.659  293.800   57.820   56.727   4.3373   48.868   5.0852 7.859108 6.683664 
1 1 1    4   28   27 o   31.860   2.1406  121.129   16.011  103.500   22.443  139.400   22.849   29.211   3.3122   34.054   2.8681 -4.842506 4.381430 
1 1 1    4   28   28 o   26.700   1.9906   85.154   12.460   78.600   17.252   92.300   18.015   25.472   2.9211   27.655   2.7972 -2.182861 4.044431 
1 1 1    4   28   29 o   70.668   3.9614  608.107   65.838  563.800   92.601  653.400   93.625   66.793   5.9330   72.240   5.5305 -5.447060 8.110877 
1 1 1    4   28   30 o   44.845   2.8068  242.245   29.573  241.300   41.722  243.200   41.924   44.297   4.0328   44.471   4.0363 -0.1735725 5.705730 
1 1 1    4   28   31 f   40.856   2.7300  201.466   26.186  228.400   36.853  174.000   37.215   43.155   3.6507   37.354   4.2974 5.801208 5.638728 
1 1 1    4   28   32 o   59.125   3.5324  427.754   49.092  428.600   69.248  426.900   69.608   58.103   5.0987   57.954   5.1397 0.1487770 7.239718 
1 1 1    4   28   33 o   18.771   1.8152   42.385   7.9455   41.900   11.069   42.900   11.412   18.484   2.6085   18.694   2.6604 -0.2097206 3.725852 
1 1 1    4   28   34 o   34.761   2.4166  145.948   19.713  162.600   27.797  129.100   27.961   36.370   3.2716   32.175   3.7506 4.195915 4.976987 
1 1 1    4   28   35 o   70.766   3.9186  622.872   65.227  558.900   91.422  689.200   93.090   64.820   6.0425   72.757   5.4581 -7.937843 8.142633 
1 1 1    4   28   36 o   45.484   2.7689  251.622   29.598  235.100   41.456  268.800   42.270   43.207   4.1128   46.366   3.8969 -3.158253 5.665831 
1 1 1    4   28   37 o   15.006   1.8569   27.319   6.4393   34.300   8.9138   19.700   9.3125   16.729   2.3189   12.453   3.1613 4.276228 3.920615 
1 1 1    4   28   38 o   21.428   1.8829   55.438   9.4308   65.300   13.312   45.500   13.363   23.093   2.4799   19.036   3.0777 4.057089 3.952521 
1 1 1    4   28   39 o   30.884   2.2137  115.842   16.037  114.800   22.594  116.900   22.768   30.291   3.2076   30.573   3.2012 -0.2820492 4.531666 
1 1 1    4   28   40 o   13.813   1.6670   23.183   5.3276   29.400   7.6079   17.200   7.4629   15.453   2.1425   11.611   2.7621 3.842549 3.495668 
1 1 1    4   28   41 o   28.958   2.1347  102.337   14.494  106.900   20.528   97.800   20.469   29.135   3.0280   27.769   3.1788 1.365837 4.390120 
1 1 1    4   28   42 o   16.622   1.7499   33.649   6.7653   33.300   9.5504   34.000   9.5849   16.257   2.5735   16.439   2.5519 -0.1819019 3.624276 
1 1 1    4   28   43 o   55.717   3.4547  399.091   45.228  422.500   64.044  375.800   63.881   54.995   4.9858   51.262   5.3565 3.733086 7.317822 
1 1 1    4   28   44 o   5.9988   1.7998   4.4113   2.7525   3.9000   3.6332   5.1000   4.2170   5.9574   2.0891   6.6420   2.2538 -0.6846237 3.073137 
1 1 1    4   28   45 o   18.096   1.7604   40.117   7.4268   33.000   10.374   47.600   10.637   15.928   2.8635   19.459   2.3635 -3.530440 3.712885 
1 1 1    4   28   46 o   24.458   2.0866   74.699   11.936   81.700   16.707   67.400   17.059   24.993   2.8837   22.322   3.3389 2.670509 4.411796 
1 1 1    4   28   47 f   2.6673   1.1982  -0.7040   1.5731  -0.8000   1.7164  -0.2000   3.9331   2.7719   1.2478   4.5460   1.9736 -1.774151 2.334984 
1 1 1    4   28   48 o   22.824   3.0731   72.900   16.141   72.900   16.141   0.0000   0.0000   22.824   3.0731  ?   ?  0.000000 3.073088 
1 1 1    4   28   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   28   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   29    0 o   70.360   5.8059  599.000   94.951  599.000   94.951  599.000   94.951   70.360   5.8059   70.360   5.8059 -0.000000 0.000000 
1 1 1    4   29    1 o   95.956   5.3041  1098.91  119.716  1102.60  169.188  1095.20  169.421   95.595   7.5567   95.261   7.5948 0.3338165 10.71372 
1 1 1    4   29    2 o  192.219   10.521  4510.68  475.743  4540.20  672.986  4481.20  672.619  189.557   15.162  188.233   15.264 1.324249 21.51447 
1 1 1    4   29    3 o   43.111   2.6722  220.728   27.069  243.400   38.342  198.200   38.221   45.175   3.6249   40.680   4.0319 4.494835 5.421814 
1 1 1    4   29    4 o  113.584   6.2420  1545.23  166.775  1613.20  235.724  1477.10  235.988  115.296   8.7227  110.145   9.1563 5.151016 12.64607 
1 1 1    4   29    5 o   36.190   2.4265  155.603   20.616  150.500   29.310  160.600   29.004   35.460   3.5480   36.663   3.3886 -1.202759 4.906198 
1 1 1    4   29    6 o   73.517   4.2234  643.812   73.011  596.300  103.485  690.900  103.022   70.357   6.2954   75.881   5.7934 -5.523773 8.555393 
1 1 1    4   29    7 o   26.438   2.0437   83.130   12.660   84.100   18.099   82.200   17.714   26.489   2.9433   26.189   2.9138 0.3006115 4.141612 
1 1 1    4   29    8 o   22.177   1.8510   58.539   9.6044   66.300   13.875   51.400   13.308   23.535   2.5367   20.650   2.8016 2.885508 3.779389 
1 1 1    4   29    9 o  150.465   8.0530  2743.72  285.090  2892.30  404.175  2596.60  402.187  152.631   11.294  144.179   11.920 8.451645 16.42095 
1 1 1    4   29   10 o  101.317   5.2505  1228.26  125.186  1373.50  177.996  1086.10  176.098  106.581   7.1133   94.430   7.9719 12.15075 10.68408 
1 1 1    4   29   11 o   22.658   1.9149   61.141   10.149   61.400   14.620   60.900   14.102   22.596   2.7999   22.516   2.7064 0.7997704E-01 3.894114 
1 1 1    4   29   12 o   35.015   2.3968  145.808   19.698  124.000   27.926  167.400   27.788   32.089   3.7565   37.436   3.1733 -5.346123 4.917428 
1 1 1    4   29   13 o   38.318   2.5359  174.656   22.816  159.800   32.384  189.300   32.151   36.464   3.8176   39.777   3.4573 -3.312908 5.150453 
1 1 1    4   29   14 o   76.215   4.2878  694.692   76.853  696.500  108.937  692.900  108.439   75.812   6.1379   75.619   6.1255 0.1935120 8.671528 
1 1 1    4   29   15 o   31.858   2.2897  120.812   17.110  112.400   24.438  128.900   23.963   30.558   3.4468   32.801   3.1319 -2.242165 4.657211 
1 1 1    4   29   16 o   68.068   3.3334  550.856   53.579  689.400   76.564  417.900   75.004   75.859   4.2918   58.704   5.4738 17.15511 6.955684 
1 1 1    4   29   17 o  102.436   5.6529  1269.66  136.207  1064.50  192.583  1475.00  192.668   92.079   8.9711  109.450   7.5000 -17.37082 11.69319 
1 1 1    4   29   18 o   51.069   3.0148  311.100   36.195  336.500   51.289  285.900   51.087   52.889   4.1397   48.640   4.4988 4.248825 6.113666 
1 1 1    4   29   19 o   35.122   2.3453  146.941   19.339  164.300   27.356  129.600   27.342   37.021   3.1595   32.769   3.5925 4.252613 4.784199 
1 1 1    4   29   20 o   49.570   2.9844  293.394   34.770  288.200   49.143  298.600   49.202   48.834   4.3057   49.733   4.2298 -0.8992538 6.035731 
1 1 1    4   29   21 o   96.193   5.2874  1123.96  119.642  1227.60  169.351  1020.70  169.046   99.331   7.2706   90.024   8.0366 9.307030 10.83736 
1 1 1    4   29   22 o   37.095   2.4336  164.109   21.199  148.600   29.988  179.600   29.971   35.058   3.6772   38.654   3.3156 -3.596241 4.951290 
1 1 1    4   29   23 o   55.866   3.2258  373.778   42.373  402.000   60.056  345.800   59.795   57.584   4.4512   53.265   4.8058 4.318359 6.550464 
1 1 1    4   29   24 o   70.144   3.9845  593.196   65.726  556.500   92.882  630.000   93.018   67.099   5.9229   71.615   5.5437 -4.515388 8.112526 
1 1 1    4   29   25 o   31.566   2.2072  118.938   16.349  126.300   23.140  111.600   23.101   32.376   3.0632   30.371   3.2729 2.005011 4.482745 
1 1 1    4   29   26 o   67.850   3.8328  556.179   61.158  470.400   86.405  642.300   86.576   61.347   6.0431   72.312   5.1029 -10.96569 7.909420 
1 1 1    4   29   27 o   54.201   3.2376  353.863   41.249  368.700   58.310  339.000   58.360   54.813   4.5460   52.448   4.7641 2.365459 6.585080 
1 1 1    4   29   28 o   80.765   4.6457  802.865   88.227  698.500  124.781  907.200  124.763   73.155   7.3217   84.459   6.3011 -11.30406 9.659757 
1 1 1    4   29   29 o   15.943   1.9328   30.679   7.1277   19.900   10.379   40.300   9.8055   12.616   3.4049   18.228   2.3315 -5.611667 4.126609 
1 1 1    4   29   30 o   21.103   1.9451   53.492   9.5833   48.700   13.687   58.100   13.422   19.886   3.0088   21.847   2.6565 -1.960360 4.013708 
1 1 1    4   29   31 o   29.864   2.1784  107.157   15.256  106.000   21.197  108.400   21.975   29.445   3.0950   29.753   3.1769 -0.3080063 4.435248 
1 1 1    4   29   32 o   25.385   1.9767   77.393   11.756   73.800   16.391   81.200   16.870   24.552   2.8819   25.788   2.8161 -1.235846 4.029382 
1 1 1    4   29   33 o   42.353   2.5909  216.941   25.787  198.800   36.121  235.800   36.828   39.953   3.8775   43.690   3.6018 -3.737003 5.292214 
1 1 1    4   29   34 o   30.839   2.1986  114.599   15.906  111.900   22.290  117.400   22.704   30.145   3.1793   30.893   3.1567 -0.7478676 4.480286 
1 1 1    4   29   35 o   7.2269   1.7917   6.4783   3.0424   8.4000   4.1308   4.2000   4.4978   8.2184   2.1159   6.4318   2.3173 1.786552 3.138032 
1 1 1    4   29   36 o   29.297   2.1563  103.579   14.813  108.800   20.891   98.300   21.007   29.732   3.0174   28.169   3.2157 1.562580 4.409755 
1 1 1    4   29   37 o   19.503   1.8315   45.916   8.3359   46.600   11.659   45.200   11.923   19.438   2.6058   19.103   2.7199 0.3348789 3.766721 
1 1 1    4   29   38 o   18.536   1.8091   41.562   7.8176   39.900   10.787   43.400   11.346   17.925   2.6263   18.703   2.6426 -0.7780094 3.725677 
1 1 1    4   29   39 o   16.183   1.7162   31.733   6.4580   33.500   9.1767   30.000   9.0900   16.428   2.4397   15.487   2.5762 0.9412146 3.548091 
1 1 1    4   29   40 f   16.390   1.7259   32.622   6.5791   34.700   9.3676   30.600   9.2421   16.686   2.4505   15.599   2.6007 1.086792 3.573313 
1 1 1    4   29   41 o   18.089   1.7740   39.797   7.4804   39.200   10.554   40.400   10.604   17.662   2.6091   17.948   2.5759 -0.2861519 3.666411 
1 1 1    4   29   42 o   36.570   2.4566  165.215   21.091  176.500   29.873  154.000   29.781   37.024   3.4570   34.335   3.7333 2.688713 5.088073 
1 1 1    4   29   43 o   24.112   1.9667   71.104   11.100   73.700   15.686   68.500   15.710   24.133   2.8049   23.185   2.9351 0.9481602 4.059849 
1 1 1    4   29   44 o   25.100   2.2524   78.195   13.207   97.200   18.379   57.900   18.992   27.611   2.8604   20.475   4.0715 7.135584 4.975862 
1 1 1    4   29   45 o   24.748   2.1600   76.427   12.496   85.100   17.315   67.000   18.053   25.579   2.9190   22.181   3.5675 3.397612 4.609525 
1 1 1    4   29   46 o   7.7622   1.8279   7.7262   3.2949   2.5000   4.1895   16.200   5.3348   5.5296   2.1797   11.221   2.0902 -5.691770 3.019918 
1 1 1    4   29   47 o   11.943   1.7273   18.015   4.7297   12.500   6.1499   26.000   7.3998   9.5558   2.6386   14.068   2.3076 -4.511894 3.505325 
1 1 1    4   29   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   29   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   29   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   30    0 o   64.752   5.4214  507.800   81.557  507.800   81.557  507.800   81.557   64.752   5.4214   64.752   5.4214 0.000000 0.000000 
1 1 1    4   30    1 f  153.734   8.3701  2865.82  302.708  3177.00  428.221  2555.00  427.968  160.130   11.399  142.615   12.846 17.51413 17.17455 
1 1 1    4   30    2 f   98.979   5.3660  1171.66  124.948  1284.10  177.172  1060.40  176.237  103.079   7.3265   93.388   8.0711 9.691818 10.90052 
1 1 1    4   30    3 o  137.280   7.4536  2275.38  240.714  2399.70  340.728  2151.50  340.116  139.549   10.415  131.762   11.033 7.787979 15.17225 
1 1 1    4   30    4 o   71.883   4.0900  615.756   69.137  603.700   98.002  627.700   97.548   70.817   5.9146   72.254   5.7653 -1.436859 8.259620 
1 1 1    4   30    5 o   99.605   5.0982  1185.85  119.510  1350.30  170.007  1025.20  168.035  105.802   6.8413   91.818   7.8248 13.98423 10.39381 
1 1 1    4   30    6 o   83.863   4.0749  835.792   80.696  1003.80  115.140  673.600  113.129   91.542   5.3498   74.652   6.4819 16.88927 8.404488 
1 1 1    4   30    7 o   94.428   5.1475  1067.27  114.344  1104.20  162.340  1030.90  161.081   95.422   7.2591   92.111   7.4701 3.311180 10.41624 
1 1 1    4   30    8 o  117.664   6.1102  1665.18  169.187  1833.00  240.329  1500.30  238.219  122.509   8.3575  110.377   9.2243 12.13212 12.44734 
1 1 1    4   30    9 o   34.641   2.3500  142.686   19.109  143.300   27.339  142.100   26.721   34.584   3.3913   34.447   3.3264 0.1368256 4.750359 
1 1 1    4   30   10 o  104.369   5.8425  1311.30  143.413  1228.70  203.120  1393.40  202.513   99.856   8.7012  106.670   8.1003 -6.813904 11.88805 
1 1 1    4   30   11 o   55.061   3.1372  360.921   40.621  392.900   57.654  329.400   57.240   57.257   4.2955   52.322   4.6824 4.935543 6.354264 
1 1 1    4   30   12 o   65.303   3.7353  509.016   57.361  515.700   81.332  502.400   80.912   65.373   5.3146   64.508   5.3603 0.8656311 7.548411 
1 1 1    4   30   13 o   35.740   2.4071  152.010   20.196  144.100   28.671  159.800   28.453   34.627   3.5570   36.520   3.3363 -1.892231 4.876796 
1 1 1    4   30   14 o  100.869   5.0939  1223.93  120.938  908.600  170.318  1544.60  171.756   85.402   8.5608  112.720   6.4801 -27.31825 10.73683 
1 1 1    4   30   15 o   79.029   4.4149  749.467   82.060  770.900  116.414  728.300  115.691   79.522   6.2499   77.221   6.4023 2.301086 8.947082 
1 1 1    4   30   16 o   36.869   2.3755  161.829   20.571  175.400   29.279  148.600   28.908   38.254   3.2728   35.142   3.5314 3.112263 4.814761 
1 1 1    4   30   17 o   16.820   1.7424   33.841   6.8201   25.700   9.6108   42.100   9.6797   14.449   2.9173   18.714   2.2346 -4.265326 3.674823 
1 1 1    4   30   18 o   52.149   3.1436  324.903   38.530  280.500   54.523  369.200   54.458   48.031   4.8748   55.358   4.1972 -7.327187 6.432714 
1 1 1    4   30   19 o   54.640   3.1690  356.823   40.712  377.900   57.891  336.200   57.265   55.923   4.4199   52.662   4.6529 3.261620 6.417528 
1 1 1    4   30   20 o   21.231   1.9186   53.837   9.5144   49.100   13.661   58.300   13.259   20.098   2.9678   22.000   2.6028 -1.902021 3.947444 
1 1 1    4   30   21 o   58.262   3.4007  406.820   46.583  375.900   65.793  437.900   65.963   55.488   5.0777   60.062   4.6881 -4.574352 6.910934 
1 1 1    4   30   22 f   44.395   2.8737  235.726   29.964  212.000   42.627  258.900   42.128   41.726   4.3923   46.295   3.8897 -4.569321 5.866983 
1 1 1    4   30   23 o   72.589   4.0521  635.950   69.180  699.200   97.991  573.100   97.679   75.427   5.5404   67.936   6.1558 7.491325 8.281941 
1 1 1    4   30   24 o   38.007   2.4908  172.624   22.230  162.500   31.476  182.700   31.402   36.605   3.6919   38.894   3.4550 -2.289848 5.056377 
1 1 1    4   30   25 o   21.353   1.7984   54.460   8.9837   65.300   12.789   43.900   12.623   23.310   2.3558   18.957   2.9130 4.352617 3.746355 
1 1 1    4   30   26 o   27.614   2.0726   91.163   13.416   89.500   19.050   92.800   18.897   27.171   3.0202   27.693   2.9346 -0.5218067 4.211093 
1 1 1    4   30   27 o   38.860   2.5067  181.111   22.879  166.300   32.314  196.000   32.398   36.868   3.7646   40.161   3.4498 -3.292744 5.106160 
1 1 1    4   30   28 o   66.613   3.8511  542.130   60.318  501.700   85.229  582.700   85.376   62.745   5.8186   68.022   5.3586 -5.277676 7.910182 
1 1 1    4   30   29 o   43.368   2.8775  227.399   29.300  208.700   41.896  245.300   40.993   40.899   4.4077   44.608   3.9318 -3.709545 5.906551 
1 1 1    4   30   30 o   26.145   2.1814   82.257   13.344   56.700   19.046  106.900   18.702   21.179   3.9537   29.693   2.6967 -8.514009 4.785841 
1 1 1    4   30   31 f   42.432   2.7025  217.853   26.938  211.200   38.105  224.500   38.086   41.210   3.9647   42.568   3.8299 -1.357746 5.512431 
1 1 1    4   30   32 o   70.547   4.1219  619.881   68.368  568.700   96.621  671.200   96.752   65.303   6.3459   71.683   5.7646 -6.379089 8.573311 
1 1 1    4   30   33 o   30.956   2.2037  115.451   16.004  118.200   22.629  112.700   22.636   31.015   3.1327   30.245   3.2189 0.7696972 4.491723 
1 1 1    4   30   34 o   21.851   1.8629   57.430   9.5208   47.800   13.451   67.100   13.478   19.623   2.9979   23.479   2.4679 -3.856216 3.883023 
1 1 1    4   30   35 o   13.078   1.6900   20.727   5.0970   23.000   7.2454   18.500   7.1717   13.645   2.3324   12.155   2.5785 1.489848 3.476882 
1 1 1    4   30   36 o   4.5806   1.5764   2.2762   2.0642  -0.3000   2.8091   5.3000   3.0433   3.8841   1.6771   6.5715   1.8712 -2.687411 2.512732 
1 1 1    4   30   37 o   27.014   2.0570   88.298   13.023   87.800   18.390   88.800   18.446   26.592   2.9798   26.748   2.9705 -0.1563206 4.207537 
1 1 1    4   30   38 o   36.146   2.3660  159.309   20.083  140.300   28.261  178.700   28.544   33.185   3.6678   37.789   3.2299 -4.604202 4.887199 
1 1 1    4   30   39 o   30.107   2.1531  110.441   15.206   91.400   21.472  129.600   21.538   26.711   3.4875   32.259   2.8570 -5.548700 4.508323 
1 1 1    4   30   40 o   33.008   2.2537  133.426   17.461  114.000   24.648  153.000   24.741   29.699   3.5872   34.864   3.0356 -5.164240 4.699216 
1 1 1    4   30   41 o   9.1182   1.7687   10.350   3.6709   13.600   5.1914   7.1000   5.1914   10.382   2.1867   7.6824   2.4979 2.699078 3.319874 
1 1 1    4   30   42 o   12.897   1.7428   20.418   5.1716   16.200   7.3742   24.500   7.2547   11.182   2.7992   13.979   2.2760 -2.797276 3.607726 
1 1 1    4   30   43 o   10.645   1.8225   14.097   4.4165   15.800   6.0117   12.100   6.5097   11.125   2.3615   9.6844   2.7294 1.440322 3.609191 
1 1 1    4   30   44 o   26.590   2.2142   88.092   13.776  108.700   19.348   66.900   19.620   29.071   2.8553   21.970   3.9261 7.101267 4.854587 
1 1 1    4   30   45 o   17.863   1.8174   39.638   7.5594   38.600   10.628   40.700   10.754   17.127   2.7188   17.628   2.6668 -0.5006027 3.808338 
1 1 1    4   30   46 o   12.934   1.8270   21.168   5.4248   27.400   7.8247   15.400   7.5276   14.440   2.3776   10.515   2.9251 3.925026 3.769479 
1 1 1    4   30   47 o   5.3437   1.9216   3.1932   3.0914  -3.1000   4.5475   8.6000   4.2151   4.1897   1.9400   8.0407   2.1697 -3.851025 2.910540 
1 1 1    4   30   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   30   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   31    0 o   81.694   6.6659  811.000  126.621  811.000  126.621  811.000  126.621   81.694   6.6659   81.694   6.6659 0.000000 0.000000 
1 1 1    4   31    1 o  105.011   5.5289  1322.88  136.616  1592.00  193.790  1057.00  192.623  114.617   7.1967   92.637   8.9158 21.97981 11.45788 
1 1 1    4   31    2 f   26.447   2.0278   83.218   12.568   76.400   17.669   90.200   17.880   25.208   3.0290   27.452   2.7973 -2.243774 4.123075 
1 1 1    4   31    3 o   55.957   3.2093  372.609   42.228  414.600   59.929  331.200   59.513   58.853   4.3430   52.469   4.8585 6.383949 6.516641 
1 1 1    4   31    4 o  102.821   5.7033  1270.60  137.932  1246.90  195.466  1294.10  194.667  100.882   8.2782  102.873   8.0786 -1.990234 11.56691 
1 1 1    4   31    5 f   51.688   3.0797  317.959   37.418  240.300   52.904  395.700   52.932   44.557   5.1213   57.553   3.9181 -12.99606 6.448181 
1 1 1    4   31    6 o   36.088   2.4089  154.882   20.410  150.000   28.958  159.700   28.770   35.366   3.5141   36.523   3.3740 -1.157764 4.871634 
1 1 1    4   31    7 o  124.993   6.6476  1890.92  195.503  2046.40  277.359  1737.40  275.613  128.637   9.1914  118.000   9.9851 10.63753 13.57144 
1 1 1    4   31    8 o   44.601   2.7862  236.746   29.197  193.300   41.313  280.100   41.269   40.014   4.4476   48.403   3.6373 -8.389458 5.745509 
1 1 1    4   31    9 o  123.083   6.9374  1842.23  200.810  1584.00  284.224  2099.60  283.752  111.734   10.912  129.949   9.3087 -18.21478 14.34286 
1 1 1    4   31   10 o   91.172   4.9506  998.347  106.182  1069.50  150.539  927.900  149.791   93.662   6.8540   86.997   7.3606 6.665192 10.05763 
1 1 1    4   31   11 o  130.969   7.2768  2096.90  224.160  1927.80  317.099  2265.80  316.922  122.869   11.047  134.094   10.083 -11.22513 14.95666 
1 1 1    4   31   12 o   93.344   5.1384  1049.53  112.825  1088.80  159.804  1010.50  159.315   94.177   7.2414   90.575   7.5167 3.601898 10.43735 
1 1 1    4   31   13 o   35.681   2.3561  151.548   19.740  159.400   28.101  143.900   27.735   36.459   3.2998   34.602   3.4400 1.857189 4.766790 
1 1 1    4   31   14 o   20.944   1.8028   52.300   8.8290   57.600   12.672   47.300   12.308   21.896   2.4955   19.780   2.7060 2.115915 3.681059 
1 1 1    4   31   15 o   29.576   2.1966  104.240   15.231   80.700   21.605  127.500   21.476   25.760   3.6543   32.640   2.8139 -6.880489 4.612114 
1 1 1    4   31   16 o   44.881   2.8294  240.343   29.832  215.400   42.269  265.100   42.111   42.179   4.3041   46.948   3.8320 -4.768406 5.762776 
1 1 1    4   31   17 o  103.662   5.2243  1302.17  127.473  1522.20  181.483  1087.90  179.088  111.021   6.9577   92.958   8.2441 18.06271 10.78777 
1 1 1    4   31   18 o   82.362   4.6313  819.363   89.706  827.600  127.154  811.200  126.576   81.821   6.6384   80.979   6.6789 0.8414154 9.416842 
1 1 1    4   31   19 o   80.352   4.6062  780.597   87.034  681.500  123.176  879.400  122.993   73.845   7.1535   84.515   6.2063 -10.66964 9.470520 
1 1 1    4   31   20 o   17.900   2.1007   38.520   8.7106   19.400   12.681   55.600   11.986   12.694   3.8754   21.505   2.4013 -8.810416 4.559029 
1 1 1    4   31   21 o   41.648   2.5920  207.102   25.365  176.100   35.729  238.600   36.014   38.075   4.0355   44.531   3.4519 -6.456268 5.310411 
1 1 1    4   31   22 o   31.478   2.1918  118.233   16.190  122.900   23.066  113.700   22.730   31.932   3.0980   30.685   3.1834 1.247715 4.442008 
1 1 1    4   31   23 o   44.154   2.7897  233.421   28.937  203.600   40.972  263.100   40.874   40.820   4.3160   46.638   3.7431 -5.817268 5.713031 
1 1 1    4   31   24 o   50.173   2.9293  302.004   34.555  329.700   49.134  274.900   48.606   52.073   4.0271   47.390   4.3934 4.683079 5.959863 
1 1 1    4   31   25 o   20.949   1.8534   52.517   9.0739   54.800   12.929   50.300   12.738   21.264   2.6309   20.340   2.7203 0.9237080 3.784402 
1 1 1    4   31   26 o   25.325   1.9985   76.767   11.854   69.100   16.784   84.400   16.746   23.795   3.0577   26.415   2.7237 -2.620001 4.094906 
1 1 1    4   31   27 o  100.913   5.3653  1281.15  127.392  1468.80  181.063  1097.20  179.269  105.340   7.3246   89.185   8.6198 16.15488 11.31155 
1 1 1    4   31   28 f   9.3320   1.7584   10.692   3.7327   7.6000   5.1921   14.000   5.3701   7.9866   2.4868   10.635   2.2105 -2.648431 3.327199 
1 1 1    4   31   29 o   12.861   1.8322   20.087   5.4070   17.300   8.0290   22.400   7.3142   11.747   2.9096   13.482   2.3848 -1.734639 3.762025 
1 1 1    4   31   30 f   11.710   1.6933   16.651   4.5461   33.300   7.1974   5.6000   5.8640   16.610   1.8674   7.3808   2.6474 9.229214 3.239726 
1 1 1    4   31   31 o   58.369   3.5866  419.264   49.195  357.200   69.665  481.000   69.480   52.243   5.7418   61.555   4.8186 -9.312183 7.495799 
1 1 1    4   31   32 o   23.415   1.9686   65.969   10.784   53.700   15.294   78.100   15.207   20.768   3.2231   25.332   2.5783 -4.563774 4.127463 
1 1 1    4   31   33 o   19.797   1.8003   47.145   8.3244   60.000   11.869   34.700   11.678   22.238   2.2932   16.639   3.0858 5.598783 3.844554 
1 1 1    4   31   34 o   23.630   1.9412   67.228   10.736   65.100   15.104   69.400   15.262   22.999   2.8417   23.779   2.7700 -0.7802658 3.968389 
1 1 1    4   31   35 o   41.691   2.6886  211.910   26.327  207.400   37.273  216.400   37.192   40.521   3.9455   41.466   3.8419 -0.9452972 5.507004 
1 1 1    4   31   36 o   40.644   2.5666  201.499   24.507  185.700   34.549  217.500   34.768   38.239   3.8800   41.625   3.5719 -3.386074 5.273798 
1 1 1    4   31   37 o   41.510   2.6085  211.125   25.438  188.000   35.841  234.600   36.111   38.214   4.0327   43.089   3.5815 -4.875412 5.393511 
1 1 1    4   31   38 o   16.394   1.7900   32.675   6.8173   34.000   9.7361   31.400   9.5488   16.483   2.5866   15.804   2.6526 0.6782522 3.705020 
1 1 1    4   31   39 o   37.531   2.5441  173.787   22.414  182.600   31.631  164.900   31.764   37.688   3.5980   35.605   3.8387 2.082848 5.261292 
1 1 1    4   31   40 o   18.623   1.7886   42.185   7.7688   34.400   10.976   50.000   10.997   16.389   2.9444   20.083   2.3642 -3.693781 3.776104 
1 1 1    4   31   41 o   11.121   1.6879   15.216   4.2934   14.100   6.1160   16.300   6.0284   10.495   2.5030   11.341   2.3290 -0.8459558 3.418972 
1 1 1    4   31   42 f   9.2465   1.7733   10.669   3.7309   8.1000   5.4094   13.000   5.1526   8.0858   2.5417   10.115   2.2183 -2.029386 3.373533 
1 1 1    4   31   43 o   10.583   1.8811   14.034   4.5286   15.900   6.2000   11.900   6.6304   11.103   2.4321   9.5672   2.7736 1.535660 3.688879 
1 1 1    4   31   44 o   5.3823   1.9714   2.9916   3.2745   1.3000   4.6904   4.6000   4.5736   5.3909   2.2388   6.4631   2.3356 -1.072194 3.235279 
1 1 1    4   31   45 o   11.615   2.0867   17.404   5.5128   28.300   7.5701   5.1000   8.0442   14.798   2.2361   7.4649   2.9947 7.332862 3.737443 
1 1 1    4   31   46 f   20.948   2.0098   55.986   9.8197   54.900   13.515   57.200   14.291   19.924   2.9630   20.216   3.0920 -0.2922592 4.282486 
1 1 1    4   31   47 o   8.6672   2.6652   10.400   5.9849   10.400   5.9849   0.0000   0.0000   8.6672   2.6652  ?   ?  0.000000 2.665166 
1 1 1    4   31   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   32    0 o   57.712   4.9339  404.300   66.109  404.300   66.109  404.300   66.109   57.712   4.9339   57.712   4.9339 0.000000 0.000000 
1 1 1    4   32    1 o   34.642   2.3677  142.775   19.252  122.400   27.209  163.200   27.243   31.874   3.6830   36.947   3.1527 -5.073553 4.848074 
1 1 1    4   32    2 o   85.966   4.7777  886.012   96.602  964.200  136.737  808.100  136.496   89.111   6.5440   81.305   7.1835 7.806351 9.717294 
1 1 1    4   32    3 o   32.639   2.2319  126.709   17.098  131.600   24.414  122.000   23.953   33.147   3.1574   31.893   3.2249 1.253317 4.513189 
1 1 1    4   32    4 o   70.749   4.0779  598.445   67.838  576.400   96.257  620.200   95.622   68.938   5.9720   71.609   5.7022 -2.670685 8.257118 
1 1 1    4   32    5 f   95.733   5.2534  1102.37  118.303  1138.70  167.835  1066.50  166.783   96.429   7.4279   93.207   7.6451 3.222404 10.65932 
1 1 1    4   32    6 o  148.339   8.3321  2711.56  290.676  2497.30  411.422  2925.10  410.735  138.572   12.715  151.192   11.593 -12.61974 17.20665 
1 1 1    4   32    7 o   28.339   2.2070   95.674   14.653   77.700   20.915  113.000   20.534   25.307   3.6016   30.729   2.8628 -5.422478 4.600741 
1 1 1    4   32    8 o   32.954   2.3607  129.325   18.248  100.500   25.909  157.700   25.706   28.780   3.9139   36.318   3.0249 -7.538340 4.946599 
1 1 1    4   32    9 o   42.910   2.4475  218.963   24.697  267.600   35.275  172.200   34.589   47.345   3.1736   37.799   3.9329 9.546631 5.053621 
1 1 1    4   32   10 o  123.960   6.6726  1875.44  194.598  1999.50  276.167  1753.10  274.248  126.071   9.3433  117.507   9.9780 8.563789 13.66960 
1 1 1    4   32   11 o  101.595   5.4624  1248.92  130.563  1348.60  185.281  1150.60  184.014  104.445   7.5637   96.062   8.1904 8.382813 11.14865 
1 1 1    4   32   12 o  108.938   6.0639  1445.09  155.371  1446.30  220.293  1443.90  219.166  107.233   8.7767  107.173   8.7361 0.6007385E-01 12.38346 
1 1 1    4   32   13 o   54.953   3.3080  360.938   42.726  350.000   60.813  371.600   60.041   53.738   4.8445   55.445   4.6282 -1.706841 6.699928 
1 1 1    4   32   14 o   20.756   1.8695   51.426   9.0649   53.700   13.206   49.400   12.465   21.091   2.7147   20.221   2.6763 0.8695145 3.812104 
1 1 1    4   32   15 o   26.551   1.9520   83.959   12.153   94.500   17.481   74.100   16.906   28.079   2.6686   24.787   2.9461 3.291878 3.975070 
1 1 1    4   32   16 o  107.027   5.5227  1393.96  139.099  1576.10  198.005  1216.50  195.450  112.437   7.5008   97.961   8.5345 14.47562 11.36219 
1 1 1    4   32   17 o   36.571   2.5002  159.593   21.461  143.900   30.542  174.900   30.164   34.467   3.8167   38.132   3.3851 -3.665039 5.101553 
1 1 1    4   32   18 o   19.617   1.8816   46.015   8.6091   39.600   12.339   52.100   12.017   17.994   3.0103   20.794   2.4974 -2.799500 3.911392 
1 1 1    4   32   19 o   58.750   3.1848  413.150   44.019  469.700   62.878  358.800   61.643   62.316   4.2994   54.238   4.8648 8.077919 6.492395 
1 1 1    4   32   20 o   68.071   4.0265  559.325   64.434  451.300   91.239  666.800   91.007   60.035   6.5419   73.794   5.2570 -13.75903 8.392424 
1 1 1    4   32   21 o   72.032   4.0923  627.446   69.320  674.300   98.408  581.300   97.663   73.888   5.6838   68.337   6.1169 5.550842 8.349991 
1 1 1    4   32   22 o   64.170   3.7591  497.312   56.712  483.400   80.384  511.100   80.023   62.472   5.5053   64.350   5.3138 -1.877419 7.651496 
1 1 1    4   32   23 o   11.595   1.9109   16.381   5.0500   8.5000   7.3575   23.400   6.9440   8.7563   2.9770   13.860   2.1949 -5.103414 3.698678 
1 1 1    4   32   24 o   17.009   1.7974   34.731   7.1100   35.500   10.184   34.000   9.9312   17.048   2.6130   16.678   2.6071 0.3702106 3.691219 
1 1 1    4   32   25 o   43.559   2.7761  228.324   28.406  220.200   40.357  236.300   39.989   42.311   4.0903   43.922   3.8961 -1.611313 5.648913 
1 1 1    4   32   26 o   40.646   2.6565  198.944   25.357  185.600   35.988  212.100   35.733   38.781   3.9866   41.612   3.6743 -2.830685 5.421605 
1 1 1    4   32   27 o   7.8311   1.7987   7.5870   3.2560   24.700   6.3567   1.5000   3.7911   14.272   1.9361   5.1294   2.0565 9.142720 2.824526 
1 1 1    4   32   28 o   26.131   2.1010   82.075   12.854   77.000   18.513   86.800   17.862   25.009   3.2089   26.675   2.8814 -1.666296 4.312731 
1 1 1    4   32   29 o   34.298   3.3913  144.700   27.106   0.0000   0.0000  144.700   27.106  ?   ?    34.298   3.3913 0.000000 3.391308 
1 1 1    4   32   30 o   22.529   1.8939   60.981   9.9818   67.900   14.595   54.900   13.682   23.591   2.6668   21.144   2.8100 2.447430 3.873975 
1 1 1    4   32   31 o   27.431   2.1725   90.702   13.958   76.000   19.913  104.900   19.569   24.677   3.5168   29.302   2.8649 -4.624552 4.536024 
1 1 1    4   32   32 o   36.966   2.5478  165.514   22.104  151.600   31.507  179.000   31.019   34.787   3.9028   38.040   3.4922 -3.252739 5.237152 
1 1 1    4   32   33 o   59.131   3.5352  432.077   49.135  442.700   69.899  421.700   69.082   58.469   5.1142   56.983   5.1910 1.485832 7.287087 
1 1 1    4   32   34 o   24.661   2.0164   73.417   11.639   69.400   16.602   77.300   16.322   23.644   3.0444   25.060   2.8065 -1.415932 4.140628 
1 1 1    4   32   35 o   44.215   2.8612  240.037   29.714  228.300   42.180  251.600   41.865   42.123   4.3009   44.453   4.0322 -2.329597 5.895437 
1 1 1    4   32   36 o   33.314   2.3800  135.325   18.600  124.000   26.452  146.400   26.159   31.223   3.6569   34.185   3.2809 -2.961143 4.912953 
1 1 1    4   32   37 f   11.869   1.6912   17.221   4.6059   13.900   6.4389   20.700   6.5913   10.453   2.6151   12.888   2.2475 -2.435373 3.448212 
1 1 1    4   32   38 o   17.183   1.7949   35.912   7.1752   30.700   10.111   41.200   10.184   15.524   2.8635   18.209   2.4291 -2.684965 3.755035 
1 1 1    4   32   39 o   16.731   1.7878   34.100   6.9537   39.300   9.8340   28.900   9.8340   17.767   2.4058   15.025   2.8765 2.742112 3.749985 
1 1 1    4   32   40 o   13.548   1.7064   22.438   5.3382   19.300   7.5352   25.600   7.5636   12.266   2.6768   14.296   2.3200 -2.030434 3.542234 
1 1 1    4   32   41 f   42.155   2.7445  222.705   27.170  233.500   38.505  212.000   38.343   41.927   3.9352   39.696   4.1519 2.231033 5.720551 
1 1 1    4   32   42 o   27.031   2.1000   90.203   13.299   87.400   18.501   93.200   19.129   25.977   3.0758   26.835   3.0742 -0.8575211 4.348771 
1 1 1    4   32   43 o   9.3774   2.0989   11.295   4.5319   8.8000   6.0861   14.400   6.7895   8.3310   2.7044   10.417   2.7279 -2.085718 3.841272 
1 1 1    4   32   44 o   20.850   1.9996   54.658   9.7241   57.900   13.735   51.400   13.768   20.831   2.8684   19.426   3.1061 1.405033 4.228004 
1 1 1    4   32   45 o   12.961   1.9178   21.464   5.6921   16.900   7.8225   26.600   8.2982   10.952   2.9560   14.049   2.5970 -3.096905 3.934792 
1 1 1    4   32   46 o   5.5163   2.0198   3.3489   3.4367   2.7000   4.5626   4.2000   5.2250   5.6640   2.2613   6.3657   2.4556 -0.7016973 3.338162 
1 1 1    4   32   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   32   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   33    0 o   36.178   3.5667  159.600   29.790  159.600   29.790  159.600   29.790   36.178   3.5667   36.178   3.5667 -0.000000 0.000000 
1 1 1    4   33    1 o   18.756   1.8828   42.046   8.2266   49.400   11.560   34.500   11.710   20.267   2.4662   16.785   3.0675 3.482414 3.935974 
1 1 1    4   33    2 o   76.302   4.4165  698.340   79.235  612.600  112.246  783.500  111.866   70.678   6.8098   80.342   5.9386 -9.664177 9.035489 
1 1 1    4   33    3 o   40.925   2.5866  199.401   24.868  209.700   35.340  189.300   35.000   41.812   3.6149   39.680   3.7811 2.132027 5.231080 
1 1 1    4   33    4 o   50.249   2.9771  300.922   35.168  318.800   49.986  283.400   49.487   51.507   4.1449   48.495   4.3684 3.011589 6.021898 
1 1 1    4   33    5 o   33.103   2.2515  130.428   17.495  141.600   24.938  119.600   24.551   34.380   3.1053   31.533   3.3485 2.847239 4.566743 
1 1 1    4   33    6 o  102.427   5.7740  1271.68  139.085  1113.70  196.841  1429.20  196.551   94.123   8.9647  107.482   7.7972 -13.35938 11.88122 
1 1 1    4   33    7 o   29.217   2.2123  101.723   15.150   87.300   21.596  115.700   21.260   26.853   3.4881   31.071   2.9323 -4.217165 4.556866 
1 1 1    4   33    8 o   38.847   2.5334  179.791   23.112  174.500   32.813  185.000   32.560   38.075   3.6961   39.241   3.5523 -1.166656 5.126422 
1 1 1    4   33    9 o   58.086   3.3778  403.199   46.131  417.500   65.472  389.100   65.008   58.770   4.7587   56.682   4.9053 2.088387 6.834248 
1 1 1    4   33   10 o   96.942   5.2798  1137.28  120.407  1219.50  170.822  1056.10  169.744   99.290   7.3378   92.040   7.8862 7.249672 10.77197 
1 1 1    4   33   11 o   55.939   3.3777  374.253   44.408  288.900   62.877  459.200   62.727   48.550   5.5864   61.744   4.3297 -13.19336 7.067800 
1 1 1    4   33   12 o   52.772   2.9621  332.292   36.763  370.600   52.523  295.500   51.473   55.500   4.0353   49.419   4.4589 6.080978 6.013752 
1 1 1    4   33   13 o   38.932   2.4803  180.654   22.683  132.500   31.998  229.300   32.161   32.987   4.2033   43.769   3.1325 -10.78144 5.242156 
1 1 1    4   33   14 o   74.480   4.2115  667.742   73.766  682.900  104.523  652.700  104.121   74.608   5.9832   72.873   6.1071 1.735161 8.549602 
1 1 1    4   33   15 o   61.251   3.5944  450.005   51.760  444.200   73.554  455.700   72.849   60.336   5.2138   61.163   5.0902 -0.8271065 7.286535 
1 1 1    4   33   16 o   54.213   3.0716  351.422   39.160  391.700   55.716  312.100   55.051   56.953   4.1719   50.661   4.6539 6.292164 6.250022 
1 1 1    4   33   17 o   66.267   3.5894  527.086   55.958  599.800   79.559  455.900   78.719   70.252   4.8251   60.925   5.5320 9.327366 7.340636 
1 1 1    4   33   18 o   22.306   1.9023   59.415   9.9242   66.400   14.175   52.700   13.899   23.483   2.5999   20.831   2.9046 2.651836 3.898185 
1 1 1    4   33   19 o   22.006   1.8016   57.785   9.2798   69.700   13.367   46.700   12.893   24.098   2.3801   19.587   2.8729 4.510590 3.730772 
1 1 1    4   33   20 o   69.677   3.4565  582.326   56.870  715.100   81.446  456.000   79.444   76.666   4.5189   60.662   5.6096 16.00414 7.203274 
1 1 1    4   33   21 o   37.994   2.5206  172.799   22.486  165.100   31.903  180.400   31.699   36.838   3.7184   38.580   3.5182 -1.742264 5.118958 
1 1 1    4   33   22 f   54.199   3.2299  354.038   41.149  361.600   58.636  346.700   57.762   54.208   4.6250   53.058   4.6575 1.150414 6.563722 
1 1 1    4   33   23 o   25.424   2.0214   77.373   12.036   78.200   17.319   76.600   16.738   25.370   2.9458   25.123   2.8731 0.2466927 4.114900 
1 1 1    4   33   24 o   21.225   2.0466   54.142   10.130   40.100   14.653   67.000   14.021   17.889   3.5935   23.526   2.5655 -5.636932 4.415343 
1 1 1    4   33   25 o   34.420   2.4455  142.470   19.747  126.100   28.164  158.300   27.696   31.954   3.8076   36.035   3.2912 -4.081154 5.032872 
1 1 1    4   33   26 o   72.753   4.3762  656.572   74.832  593.500  106.059  719.100  105.600   66.937   6.8045   74.555   6.0505 -7.617462 9.105484 
1 1 1    4   33   27 o   25.677   2.1308   79.312   12.803   71.100   18.539   86.800   17.703   23.965   3.3689   26.682   2.8540 -2.716764 4.415281 
1 1 1    4   33   28 o   16.657   1.9209   33.528   7.4170   26.800   10.865   39.400   10.150   14.577   3.2403   17.955   2.4587 -3.377733 4.067461 
1 1 1    4   33   29 o   29.754   3.1151  108.600   21.562   0.0000   0.0000  108.600   21.562  ?   ?    29.754   3.1151 0.000000 3.115122 
1 1 1    4   33   30 o   23.056   1.9709   63.969   10.627   63.400   15.291   64.500   14.780   22.701   2.9202   22.941   2.7855 -0.2397232 4.035679 
1 1 1    4   33   31 o   31.558   2.1825  119.964   16.164  131.000   23.113  109.400   22.615   32.694   3.0283   29.761   3.2719 2.932516 4.458224 
1 1 1    4   33   32 o   37.844   2.4701  173.374   21.952  180.000   31.228  166.900   30.866   38.095   3.5110   36.618   3.6168 1.476299 5.040663 
1 1 1    4   33   33 o   20.095   1.7926   48.649   8.4170   67.400   12.002   30.500   11.808   23.578   2.1803   15.465   3.3316 8.112089 3.981632 
1 1 1    4   33   34 o   18.863   1.7753   42.950   7.8144   53.700   11.130   32.500   10.974   20.972   2.2845   16.042   3.0075 4.930489 3.776748 
1 1 1    4   33   35 o   19.563   1.8801   46.366   8.5781   43.100   12.259   49.500   12.008   18.537   2.8952   19.996   2.6049 -1.459017 3.894569 
1 1 1    4   33   36 o   9.8265   1.9044   12.005   4.2595   11.400   6.0493   12.600   5.9987   9.4962   2.6148   9.9663   2.5411 -0.4700851 3.646154 
1 1 1    4   33   37 o   16.735   1.7798   34.055   6.9253   32.100   9.8076   36.000   9.7802   15.948   2.7007   16.977   2.5158 -1.029011 3.690944 
1 1 1    4   33   38 o   34.983   2.3830  150.391   19.568  133.800   27.624  167.100   27.722   32.112   3.7113   36.272   3.2718 -4.160030 4.947618 
1 1 1    4   33   39 o   13.327   1.8917   21.875   5.7861   16.800   8.3797   26.500   7.9991   11.371   3.0554   14.523   2.4174 -3.152095 3.896087 
1 1 1    4   33   40 f   28.266   2.1644   98.154   14.337  107.900   20.220   88.300   20.331   29.154   2.9790   26.093   3.3791 3.061516 4.504763 
1 1 1    4   33   41 o   15.401   1.7967   29.153   6.4112   29.100   9.3709   29.200   8.7906   15.016   2.7440   15.125   2.5521 -0.1094656 3.747334 
1 1 1    4   33   42 o   24.652   2.1111   75.729   12.170   58.100   17.275   93.100   17.149   20.498   3.7054   26.888   2.7391 -6.390167 4.607906 
1 1 1    4   33   43 f   10.894   1.9957   15.166   4.9446   14.500   6.8276   15.900   7.1703   10.369   2.7453   10.842   2.7858 -0.4728975 3.911142 
1 1 1    4   33   44 o   5.9906   2.0324   4.3222   3.4290   4.2000   4.4545   4.5000   5.3723   6.2015   2.2947   6.5619   2.5001 -0.3604116 3.393532 
1 1 1    4   33   45 o   17.614   1.9633   39.692   8.0268   43.900   11.296   35.400   11.408   17.905   2.7604   15.693   3.1874 2.212390 4.216565 
1 1 1    4   33   46 o   15.084   1.8575   29.096   6.4762   31.100   9.1676   27.100   9.1499   15.018   2.6835   13.836   2.8937 1.182789 3.946492 
1 1 1    4   33   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   34    0 o  101.134   8.2179  1261.30  193.274  1261.30  193.274  1261.30  193.274  101.134   8.2179  101.134   8.2179 0.000000 0.000000 
1 1 1    4   34    1 f   88.324   4.9298  940.769  102.408  954.200  145.269  927.500  144.388   88.006   7.0495   86.728   7.1130 1.278961 10.01448 
1 1 1    4   34    2 o   71.602   4.1342  615.150   69.602  566.400   98.585  663.600   98.281   68.015   6.2066   73.867   5.6780 -5.852417 8.411978 
1 1 1    4   34    3 o   85.830   4.9028  888.502   98.956  835.500  140.281  941.000  139.612   82.175   7.3055   87.498   6.8108 -5.322998 9.987846 
1 1 1    4   34    4 o   33.747   2.3288  135.664   18.445  109.400   26.117  161.800   26.053   30.049   3.7632   36.767   3.0278 -6.717653 4.830026 
1 1 1    4   34    5 o   63.449   3.7225  482.091   55.528  465.000   78.859  498.900   78.203   61.813   5.4587   64.126   5.2095 -2.312405 7.545644 
1 1 1    4   34    6 o   96.315   5.2716  1122.72  119.439  1192.10  169.312  1054.00  168.514   98.137   7.3598   91.966   7.8344 6.170532 10.74918 
1 1 1    4   34    7 o   43.958   2.7761  230.481   28.668  213.300   40.639  247.500   40.447   42.013   4.1506   45.362   3.8114 -3.348515 5.635038 
1 1 1    4   34    8 o   29.184   2.2340  101.564   15.279   88.400   21.876  114.100   21.348   27.004   3.5139   30.834   2.9687 -3.830051 4.600078 
1 1 1    4   34    9 o  115.660   6.4862  1641.37  176.432  1363.60  249.545  1919.00  249.480  102.344   10.473  123.346   8.6196 -21.00202 13.56431 
1 1 1    4   34   10 o   79.623   4.1323  761.831   77.428  872.500  110.321  654.400  108.696   84.645   5.5502   72.893   6.3791 11.75269 8.455604 
1 1 1    4   34   11 o   36.717   2.4851  160.795   21.420  150.400   30.509  170.900   30.080   35.281   3.7180   37.695   3.4165 -2.414639 5.049324 
1 1 1    4   34   12 o   64.866   3.5044  504.003   53.478  572.500   76.078  437.100   75.188   68.759   4.7141   59.804   5.3818 8.954819 7.154520 
1 1 1    4   34   13 o   48.494   2.7608  280.629   31.483  323.400   44.828  239.000   44.226   51.865   3.6843   44.401   4.2708 7.464355 5.640374 
1 1 1    4   34   14 o   71.193   4.1217  610.726   68.995  587.600   97.842  633.600   97.306   69.026   6.0643   71.829   5.7860 -2.803001 8.381697 
1 1 1    4   34   15 f   8.3353   1.9519   8.5678   3.7743   5.9000   5.7398   10.600   5.0097   7.4938   2.6259   9.2673   2.3001 -1.773505 3.490817 
1 1 1    4   34   16 o   28.905   2.1711   99.732   14.710   87.000   20.913  112.200   20.696   26.765   3.3846   30.545   2.9043 -3.779764 4.459891 
1 1 1    4   34   17 o  114.414   5.9561  1616.26  160.363  1840.20  228.180  1397.70  225.419  119.918   8.1057  103.141   9.3573 16.77711 12.37990 
1 1 1    4   34   18 o   42.113   2.6585  212.154   26.301  217.100   37.370  207.300   37.023   42.326   3.7787   41.336   3.8368 0.9900322 5.385134 
1 1 1    4   34   19 o   76.534   3.9124  708.847   70.470  842.900  100.762  580.500   98.594   82.732   5.1839   67.984   6.2102 14.74799 8.089478 
1 1 1    4   34   20 o   63.472   3.7450  487.988   55.880  466.800   79.192  509.000   78.863   61.166   5.5431   64.057   5.2601 -2.890862 7.641623 
1 1 1    4   34   21 o   45.529   2.8845  249.326   30.851  224.900   43.743  273.500   43.517   42.709   4.4004   47.331   3.9291 -4.622303 5.899227 
1 1 1    4   34   22 o   20.781   1.8882   51.763   9.1647   39.600   12.968   63.900   12.954   17.881   3.1882   23.008   2.4206 -5.126911 4.002978 
1 1 1    4   34   23 o   74.220   4.2102  677.502   73.485  716.500  104.533  639.400  103.325   74.862   5.9628   70.408   6.2807 4.453842 8.660346 
1 1 1    4   34   24 o   31.758   2.1794  120.952   16.244  136.600   23.199  105.900   22.754   33.549   2.9587   29.394   3.3374 4.155376 4.460042 
1 1 1    4   34   25 o   29.299   2.1723  103.114   14.922  100.000   21.329  106.100   20.884   28.562   3.2186   29.486   3.0432 -0.9237328 4.429489 
1 1 1    4   34   26 o   38.705   2.5261  180.661   22.961  184.600   32.636  176.800   32.310   38.710   3.6121   37.857   3.6600 0.8536949 5.142228 
1 1 1    4   34   27 o   25.846   2.0285   80.269   12.281   77.000   17.418   83.500   17.318   25.052   3.0042   26.148   2.8509 -1.096123 4.141602 
1 1 1    4   34   28 o   25.998   2.0042   81.210   12.209   85.700   17.551   77.000   16.996   26.483   2.8514   25.065   2.9266 1.418043 4.085992 
1 1 1    4   34   29 o   25.094   2.0080   75.732   11.799   72.700   16.777   78.700   16.597   24.316   2.9845   25.365   2.8187 -1.048727 4.105143 
1 1 1    4   34   30 o   32.645   2.3357  128.678   17.886  116.200   25.427  140.900   25.165   30.553   3.5929   33.856   3.1853 -3.302593 4.801568 
1 1 1    4   34   31 o   29.905   2.1761  107.888   15.261  108.600   21.770  107.200   21.400   29.663   3.1566   29.483   3.1213 0.1797218 4.439192 
1 1 1    4   34   32 o   28.365   2.1607   97.283   14.363   92.400   20.490  102.000   20.140   27.241   3.2495   28.738   3.0126 -1.497356 4.431121 
1 1 1    4   34   33 o   7.6029   1.9449   7.2008   3.5057   0.9000   5.2707   12.200   4.6948   5.6639   2.3644   9.8937   2.0758 -4.229814 3.146338 
1 1 1    4   34   34 o   29.808   2.2157  107.938   15.484  105.900   22.107  109.900   21.695   29.048   3.2804   29.667   3.1449 -0.6184177 4.544381 
1 1 1    4   34   35 o   34.043   2.3601  141.622   18.855  143.200   26.907  140.100   26.430   33.611   3.4385   33.259   3.4138 0.3526726 4.845347 
1 1 1    4   34   36 o   6.6205   2.0149   5.3363   3.4318  -4.1000   5.2886   12.200   4.5105   4.5385   2.0982   9.8787   2.0021 -5.340167 2.900141 
1 1 1    4   34   37 f   11.729   1.6209   16.809   4.3694   8.7000   5.9357   26.400   6.4556   8.4233   2.6643   14.670   1.9087 -6.247151 3.277428 
1 1 1    4   34   38 o   31.676   2.2617  123.084   16.806  107.200   23.755  139.000   23.779   28.761   3.5749   33.162   3.0715 -4.401386 4.713150 
1 1 1    4   34   39 o   4.0505   1.5558   1.3383   2.0911  -0.8000   3.3525   2.7000   2.6753   4.0838   1.7964   5.0511   1.7907 -0.9672508 2.536416 
1 1 1    4   34   40 o   2.0768   1.0286  -4.3866   1.8881   5.4000   3.3607  -8.9000   2.2823   6.6105   1.9899  ?   ?  0.000000 1.989930 
1 1 1    4   34   41 o   17.581   1.9518   38.377   7.9662   41.700   10.992   34.700   11.562   17.973   2.6712   16.103   3.1535 1.869574 4.132726 
1 1 1    4   34   42 o   27.269   2.1450   93.632   13.700   98.300   19.519   89.100   19.235   27.053   3.1122   25.607   3.2545 1.446503 4.503083 
1 1 1    4   34   43 o   13.990   1.9057   24.826   6.1317   29.800   8.7841   20.100   8.5631   14.951   2.5814   11.972   3.0272 2.979015 3.978383 
1 1 1    4   34   44 o   21.561   2.0079   59.365   10.105   69.200   14.430   49.900   14.157   22.569   2.7655   18.587   3.3485 3.981501 4.342865 
1 1 1    4   34   45 o   4.3849   1.8255   0.8570   3.1297   3.9000   4.3213  -2.5000   4.5389   5.9982   2.2520   4.2918   1.9694 1.706398 2.991698 
1 1 1    4   34   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   35    0 o   53.347   4.6327  346.500   57.346  346.500   57.346  346.500   57.346   53.347   4.6327   53.347   4.6327 0.000000 0.000000 
1 1 1    4   35    1 o   73.533   4.1111  649.493   71.099  683.400  101.012  616.200  100.092   74.831   5.7608   70.923   6.0339 3.907906 8.342335 
1 1 1    4   35    2 o   61.594   3.4236  453.764   49.599  509.800   70.582  399.100   69.713   64.963   4.6315   57.261   5.2129 7.702747 6.973123 
1 1 1    4   35    3 o   53.902   3.3072  347.530   41.892  321.000   59.563  373.500   58.930   51.375   4.9720   55.582   4.5293 -4.207390 6.725733 
1 1 1    4   35    4 o  118.017   6.4648  1708.61  179.477  1792.70  254.561  1625.50  253.083  118.705   9.1522  112.595   9.6108 6.109505 13.27143 
1 1 1    4   35    5 o   94.553   5.1694  1083.33  114.982  844.600  162.485  1322.80  162.735   81.632   8.5565  103.640   6.6852 -22.00769 10.85841 
1 1 1    4   35    6 f   78.897   4.3566  749.526   80.850  792.900  114.909  707.000  113.779   80.419   6.0964   75.761   6.4203 4.657730 8.853621 
1 1 1    4   35    7 o   51.888   3.0863  321.731   37.645  261.900   53.207  381.700   53.268   46.343   4.9381   56.306   4.0331 -9.963028 6.375804 
1 1 1    4   35    8 o   38.239   2.4748  174.345   22.227  150.600   31.398  198.200   31.470   35.275   3.8310   40.634   3.3085 -5.359329 5.061940 
1 1 1    4   35    9 o   64.034   3.6619  491.884   55.141  509.400   78.357  474.700   77.609   64.668   5.1746   62.358   5.3215 2.310059 7.422637 
1 1 1    4   35   10 o  101.131   5.7708  1250.58  137.239  1053.20  194.224  1447.40  193.947   90.398   9.2282  107.417   7.6973 -17.01900 12.01696 
1 1 1    4   35   11 f   53.380   3.2013  341.087   40.165  262.100   56.815  420.000   56.789   46.187   5.3057   59.008   4.1010 -12.82138 6.705901 
1 1 1    4   35   12 o   37.317   2.3155  165.977   20.303  195.400   28.951  137.500   28.482   40.369   3.0598   33.703   3.6364 6.666004 4.752439 
1 1 1    4   35   13 o   35.058   2.2033  146.468   18.147  174.500   26.169  120.500   25.187   38.153   2.9270   31.560   3.4352 6.592699 4.513083 
1 1 1    4   35   14 o   98.343   5.3088  1182.65  122.827  1331.40  174.147  1035.40  173.264  102.894   7.2130   89.835   8.2603 13.05927 10.96628 
1 1 1    4   35   15 o   9.7102   1.8768   11.559   4.1477   9.7000   6.2758   13.000   5.5268   8.9950   2.7219   10.257   2.3344 -1.261910 3.585809 
1 1 1    4   35   16 o   38.878   2.5777  180.818   23.530  175.700   33.678  185.700   32.889   38.031   3.8010   39.164   3.5965 -1.132999 5.232846 
1 1 1    4   35   17 o   15.107   1.8717   27.491   6.5338   25.700   9.6627   29.000   8.8688   14.408   2.9397   15.405   2.5256 -0.9969282 3.875594 
1 1 1    4   35   18 o   83.858   4.5983  860.654   90.708  939.500  128.940  783.400  127.632   86.252   6.3759   78.224   6.9831 8.028664 9.456043 
1 1 1    4   35   19 o   40.604   2.3532  197.191   22.466  238.400   32.054  157.400   31.497   44.468   3.0714   35.883   3.7737 8.584213 4.865678 
1 1 1    4   35   20 o   33.811   2.2249  136.835   17.664  152.800   25.237  121.500   24.733   35.536   3.0366   31.567   3.3702 3.969248 4.536438 
1 1 1    4   35   21 f   61.947   3.6272  467.161   52.828  485.800   74.890  448.700   74.531   62.249   5.1408   59.671   5.3461 2.577972 7.416808 
1 1 1    4   35   22 o   31.620   2.1963  119.892   16.297  129.200   23.250  110.900   22.852   32.604   3.0555   30.124   3.2648 2.480211 4.471556 
1 1 1    4   35   23 o   27.149   2.0498   88.396   13.044   93.000   18.774   84.100   18.136   27.636   2.9211   26.250   2.9786 1.386106 4.171932 
1 1 1    4   35   24 o   30.190   2.1903  109.501   15.508  114.800   22.374  104.600   21.515   30.645   3.1360   29.228   3.1680 1.417149 4.457653 
1 1 1    4   35   25 o   24.560   1.9918   72.454   11.452   76.100   16.677   69.200   15.753   24.949   2.8839   23.783   2.8624 1.165861 4.063287 
1 1 1    4   35   26 o   12.597   1.7406   19.246   5.0394   27.800   7.8310   13.200   6.5838   15.074   2.2705   10.281   2.6834 4.793455 3.515038 
1 1 1    4   35   27 o   47.096   2.9737  269.778   32.901  265.200   46.938  274.200   46.130   45.921   4.3818   46.802   4.2195 -0.8806763 6.083093 
1 1 1    4   35   28 o   17.562   1.9793   37.306   8.0654   32.000   12.139   41.500   10.792   15.915   3.3367   18.399   2.5527 -2.484574 4.201173 
1 1 1    4   35   29 o   23.286   2.1219   65.466   11.540   46.400   16.600   83.300   16.054   19.078   3.8180   26.146   2.6362 -7.068140 4.639668 
1 1 1    4   35   30 o   26.407   2.1035   84.141   13.008   77.100   18.588   90.900   18.210   24.907   3.2369   27.208   2.8781 -2.301365 4.331373 
1 1 1    4   35   31 o   20.713   1.9063   51.804   9.2194   53.700   13.402   50.100   12.702   20.836   2.7943   20.131   2.7436 0.7055721 3.916087 
1 1 1    4   35   32 o   56.128   3.6109  394.850   47.604  341.300   67.577  447.600   67.070   49.920   5.8432   58.376   4.9112 -8.455910 7.633032 
1 1 1    4   35   33 o   40.120   2.7200  197.632   25.617  183.800   36.540  211.000   35.923   37.732   4.1708   40.757   3.7754 -3.025021 5.625777 
1 1 1    4   35   34 o   20.735   1.8684   52.123   9.0498   58.400   13.228   46.600   12.408   21.691   2.6368   19.281   2.8078 2.410164 3.851779 
1 1 1    4   35   35 o   9.9011   2.1686   12.335   4.9297   7.0000   7.5504   16.300   6.5085   8.1786   2.9939   11.334   2.4990 -3.155684 3.899811 
1 1 1    4   35   36 o   19.943   1.9691   48.522   9.1516   43.900   13.200   52.800   12.699   18.515   3.1308   20.542   2.6821 -2.026762 4.122596 
1 1 1    4   35   37 o   17.105   2.0439   35.961   8.0924   22.800   11.895   47.300   11.041   13.104   3.6883   19.496   2.4527 -6.391456 4.429341 
1 1 1    4   35   38 o   39.201   2.5379  190.576   23.367  212.800   33.293  169.000   32.804   40.571   3.5097   35.720   3.9555 4.851391 5.288100 
1 1 1    4   35   39 o   6.8508   1.9841   5.8567   3.3946   3.4000   5.0378   7.9000   4.5943   6.2486   2.4110   7.9143   2.3129 -1.665739 3.341005 
1 1 1    4   35   40 o   1.1367   0.5744  -2.5226   0.7450 -10.8000   2.2467  -1.5000   0.7897  ?   ?    1.4379   0.7027 0.000000 0.7027120 
1 1 1    4   35   41 o   9.9687   2.7194   13.300   6.5791   0.0000   0.0000   13.300   6.5791  ?   ?    9.9687   2.7194 0.000000 2.719449 
1 1 1    4   35   42 o   16.339   1.9060   33.690   7.2156   40.100   10.337   27.600   10.076   17.398   2.5956   14.043   3.1197 3.355300 4.058277 
1 1 1    4   35   43 o   17.464   1.8254   38.491   7.4167   43.900   10.763   33.600   10.235   18.108   2.5909   15.592   2.8861 2.516273 3.878437 
1 1 1    4   35   44 o   7.8426   2.1289   8.1839   4.0436   6.8000   5.4348   9.9000   6.0520   7.3092   2.5555   8.4967   2.6905 -1.187492 3.710752 
1 1 1    4   35   45 o   8.8453   2.1849   10.522   4.5367   12.800   5.8220   7.0000   7.2389   9.6076   2.5309   7.6129   2.9017 1.994747 3.850417 
1 1 1    4   36    0 o   11.466   2.9295   18.300   6.8567   18.300   6.8567   18.300   6.8567   11.466   2.9295   11.466   2.9295 0.000000 0.000000 
1 1 1    4   36    1 o  139.279   6.6492  2385.89  218.685  2883.90  312.304  1906.80  306.316  150.657   8.8170  120.180   10.913 30.47742 14.02961 
1 1 1    4   36    2 o   81.320   4.5097  798.099   86.259  835.500  122.485  761.300  121.497   82.349   6.3478   78.444   6.6209 3.905060 9.172347 
1 1 1    4   36    3 o   94.283   5.1666  1079.16  114.590  1131.30  163.077  1028.30  161.051   95.260   7.3053   90.603   7.5978 4.657310 10.54010 
1 1 1    4   36    4 o   22.027   1.8488   57.874   9.5271   67.700   14.045   49.500   12.966   23.739   2.5453   20.214   2.7908 3.524796 3.777225 
1 1 1    4   36    5 f   29.521   2.0492  103.804   14.197  119.300   20.381   89.200   19.786   31.552   2.7634   27.181   3.1405 4.371609 4.183186 
1 1 1    4   36    6 o   41.565   2.6865  206.267   26.227  188.200   37.212  224.100   36.970   39.408   4.0569   43.132   3.6645 -3.724461 5.466925 
1 1 1    4   36    7 o   69.768   4.1041  586.439   67.317  542.400   95.517  629.900   94.888   66.255   6.1764   71.689   5.6511 -5.433243 8.371509 
1 1 1    4   36    8 o   81.771   4.6675  809.904   89.752  700.000  126.989  919.600  126.869   74.650   7.2973   86.297   6.2687 -11.64677 9.620141 
1 1 1    4   36    9 o   44.736   2.7405  239.088   28.810  252.600   41.072  226.000   40.423   45.736   3.8385   43.200   4.0083 2.536083 5.549847 
1 1 1    4   36   10 o   33.618   2.3227  134.878   18.326  130.800   26.007  138.900   25.828   32.903   3.3961   33.946   3.2623 -1.042595 4.709097 
1 1 1    4   36   11 o   32.336   2.1687  124.679   16.464  139.700   23.542  110.300   23.033   34.101   2.9527   30.204   3.2822 3.896597 4.414879 
1 1 1    4   36   12 o   30.849   2.2479  113.635   16.262  105.300   23.190  121.700   22.812   29.472   3.3941   31.780   3.0784 -2.307238 4.582198 
1 1 1    4   36   13 o   17.289   1.7498   35.789   7.0453   44.300   10.158   27.900   9.7798   19.172   2.2891   15.050   2.8563 4.121278 3.660381 
1 1 1    4   36   14 f   30.440   2.1186  110.616   15.133  123.300   21.561   98.300   21.247   32.004   2.8840   28.474   3.2162 3.529057 4.319926 
1 1 1    4   36   15 o   16.372   1.8455   32.208   7.0104   16.600   9.9328   47.700   9.8958   11.644   3.4002   19.919   2.1372 -8.275149 4.016125 
1 1 1    4   36   16 o   76.856   4.5750  723.529   82.653  584.300  117.070  861.900  116.709   67.010   7.5288   82.853   6.0061 -15.84302 9.630966 
1 1 1    4   36   17 o   39.901   2.5661  190.908   24.050  197.200   34.267  184.800   33.761   40.247   3.6452   38.927   3.7181 1.319653 5.206902 
1 1 1    4   36   18 o   24.488   1.8597   71.676   10.674   85.500   15.433   59.000   14.778   26.641   2.4818   21.992   2.9178 4.649246 3.830495 
1 1 1    4   36   19 o   25.239   2.0583   76.363   12.160   64.300   17.316   88.100   17.080   22.859   3.3039   26.979   2.7181 -4.120358 4.278269 
1 1 1    4   36   20 o   56.835   3.4218  392.557   45.710  348.100   64.685  436.900   64.602   52.482   5.2918   59.272   4.6531 -6.790588 7.046551 
1 1 1    4   36   21 o   21.439   1.8157   55.074   9.1060   69.600   13.397   42.600   12.415   24.003   2.3957   18.597   2.9235 5.405605 3.779718 
1 1 1    4   36   22 o   71.170   4.1384  625.703   69.249  640.900   98.582  610.900   97.296   70.371   5.9896   68.618   6.0673 1.752800 8.525654 
1 1 1    4   36   23 f   13.533   2.0509   22.342   6.3484   16.400   9.8942   26.500   8.2768   11.508   3.4031   14.670   2.4776 -3.161770 4.209447 
1 1 1    4   36   24 o   24.184   1.9429   70.205   11.002   76.200   15.826   64.600   15.304   25.011   2.7237   22.961   2.8863 2.050083 3.968543 
1 1 1    4   36   25 o   33.833   2.3361  137.879   18.550  139.600   26.396  136.200   26.073   33.695   3.3625   33.277   3.3642 0.4172363 4.756504 
1 1 1    4   36   26 o   23.232   1.9718   64.905   10.715   64.600   15.290   65.200   15.021   22.943   2.8860   23.072   2.8154 -0.1284294 4.031851 
1 1 1    4   36   27 o   10.991   1.9490   14.849   4.8732   10.500   7.3259   18.300   6.5265   9.3549   2.9600   12.146   2.3606 -2.790696 3.786048 
1 1 1    4   36   28 o   36.570   2.5057  161.881   21.508  146.700   30.550  176.800   30.285   34.240   3.8449   37.832   3.4272 -3.592552 5.150616 
1 1 1    4   36   29 o   15.910   1.8274   30.635   6.7409   31.500   9.6174   29.800   9.4510   15.933   2.6492   15.478   2.6831 0.4550438 3.770590 
1 1 1    4   36   30 o   46.547   3.0597  266.461   33.443  207.200   47.421  325.100   47.171   39.564   5.2019   50.763   3.9667 -11.19928 6.541729 
1 1 1    4   36   31 o   80.197   5.0022  846.620   94.256  805.500  133.658  887.300  132.942   72.968   7.8823   77.724   7.3300 -4.755653 10.76383 
1 1 1    4   36   32 o   27.019   2.0791   88.487   13.163   90.700   18.894   86.400   18.349   26.980   3.0172   26.332   3.0048 0.6486492 4.258203 
1 1 1    4   36   33 o   44.019   2.7611  239.118   28.555  255.500   40.874  223.500   39.909   44.551   3.9254   41.470   4.1304 3.081211 5.698130 
1 1 1    4   36   34 o   15.263   1.7796   28.376   6.2938   33.100   9.5142   24.700   8.3925   16.257   2.5633   13.974   2.6401 2.283252 3.679768 
1 1 1    4   36   35 o   18.834   1.8540   43.147   8.1385   48.000   12.069   39.100   11.021   19.579   2.6810   17.618   2.7380 1.960611 3.832031 
1 1 1    4   36   36 o   29.448   3.1993  110.300   21.889   0.0000   0.0000  110.300   21.889  ?   ?    29.448   3.1993 0.000000 3.199324 
1 1 1    4   36   37 o   30.311   3.3074  118.000   23.289   0.0000   0.0000  118.000   23.289  ?   ?    30.311   3.3074 0.000000 3.307443 
1 1 1    4   36   38 o   46.090   3.0272  271.040   32.764  271.700   46.708  270.400   45.971   44.171   4.5429   44.170   4.4690 0.5149841E-03 6.372569 
1 1 1    4   36   39 o   9.6275   1.9727   11.759   4.3340   13.800   6.4716   10.100   5.8360   10.254   2.6527   8.8406   2.6134 1.413418 3.723795 
1 1 1    4   36   40 o   7.7016   1.9271   7.6104   3.4961   4.6000   4.3103   13.400   5.9775   6.3815   2.2718   10.065   2.5206 -3.683453 3.393247 
1 1 1    4   36   41 o   12.912   1.8271   21.037   5.4152   26.500   7.8592   16.100   7.4720   14.198   2.4316   10.807   2.8771 3.391833 3.766964 
1 1 1    4   36   42 o   14.436   1.9204   26.550   6.3839   22.200   8.5960   31.900   9.5330   12.587   2.9445   15.315   2.7365 -2.727845 4.019822 
1 1 1    4   36   43 o   8.4006   2.0003   9.2955   3.9109   17.800   5.8446   2.4000   5.2628   11.593   2.2159   5.8343   2.3920 5.758192 3.260597 
1 1 1    4   36   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   37    0 o   35.764   3.5128  156.300   29.009  156.300   29.009  156.300   29.009   35.764   3.5128   35.764   3.5128 0.000000 0.000000 
1 1 1    4   37    1 o  101.462   5.5835  1259.65  133.260  1410.70  188.617  1109.10  188.300  105.845   7.5971   92.916   8.6828 12.92954 11.53720 
1 1 1    4   37    2 o   68.621   4.0309  567.583   65.030  501.500   92.129  633.200   91.804   63.592   6.2147   71.900   5.4477 -8.307663 8.264327 
1 1 1    4   37    3 o   28.834   2.1277   99.179   14.385  106.700   20.659   92.100   20.042   29.774   2.9783   27.611   3.1292 2.162603 4.320017 
1 1 1    4   37    4 o   57.132   3.3976  391.610   45.629  335.400   64.564  447.700   64.495   52.249   5.3066   60.737   4.5294 -8.487961 6.976831 
1 1 1    4   37    5 o   45.385   2.7417  246.113   29.244  262.700   41.661  230.000   41.061   46.643   3.8160   43.564   4.0374 3.078358 5.555342 
1 1 1    4   37    6 o   67.430   3.9428  548.143   62.506  518.300   88.611  577.700   88.185   64.764   5.8576   68.580   5.4916 -3.815666 8.029229 
1 1 1    4   37    7 o   56.667   3.3246  385.274   44.292  394.800   62.893  375.900   62.387   56.911   4.7226   55.492   4.8086 1.419712 6.739850 
1 1 1    4   37    8 f   37.788   2.4380  170.490   21.638  187.300   30.703  153.900   30.501   39.432   3.3284   35.635   3.6777 3.797615 4.960204 
1 1 1    4   37    9 o   31.341   2.0863  117.119   15.352  137.300   22.255   98.800   21.203   33.819   2.8124   28.572   3.1975 5.246752 4.258340 
1 1 1    4   37   10 o   93.487   4.7880  1066.08  105.344  1248.50  150.141  889.200  147.844   99.960   6.3943   83.358   7.5943 16.60239 9.927718 
1 1 1    4   37   11 f   60.250   3.5062  437.435   49.668  450.900   70.546  424.200   69.939   60.564   4.9769   58.675   5.0985 1.888885 7.124942 
1 1 1    4   37   12 o   40.698   2.6741  198.474   25.556  187.900   36.447  208.700   35.843   39.242   3.9887   41.467   3.6994 -2.225185 5.440141 
1 1 1    4   37   13 o   34.969   2.1229  145.938   17.447  182.600   25.261  112.500   24.125   38.996   2.7611   30.406   3.4194 8.590460 4.395004 
1 1 1    4   37   14 o   83.233   4.6840  850.833   91.688  896.500  130.049  805.700  129.286   83.864   6.6209   79.152   6.9889 4.711456 9.627139 
1 1 1    4   37   15 o   27.405   2.1434   89.948   13.760   75.100   19.593  104.400   19.330   24.731   3.4489   29.395   2.8194 -4.663208 4.454626 
1 1 1    4   37   16 o   22.314   2.1018   59.815   10.945   44.900   15.914   73.200   15.076   18.943   3.6903   24.595   2.6369 -5.652117 4.535569 
1 1 1    4   37   17 o   74.554   3.9602  679.492   69.469  800.100   98.702  561.100   97.791   79.896   5.2611   65.978   6.3554 13.91752 8.250515 
1 1 1    4   37   18 o   68.581   3.8594  575.159   62.247  623.100   88.729  528.700   87.348   70.266   5.3887   64.363   5.8098 5.902809 7.924128 
1 1 1    4   37   19 f   37.355   2.1818  167.136   19.162  224.400   27.397  112.300   26.810   43.149   2.7025   30.101   3.8608 13.04738 4.712669 
1 1 1    4   37   20 o   24.460   2.1582   71.991   12.338   56.300   17.864   86.300   17.060   21.201   3.7031   26.654   2.7500 -5.452564 4.612512 
1 1 1    4   37   21 o   34.375   2.4075  142.282   19.419  137.300   27.845  147.000   27.095   33.372   3.5899   34.632   3.3552 -1.260498 4.913777 
1 1 1    4   37   22 o   50.164   3.0711  305.700   36.204  306.000   51.197  305.400   51.203   49.452   4.4313   49.400   4.4368 0.5235291E-01 6.270644 
1 1 1    4   37   23 o   22.760   1.9165   62.208   10.204   67.500   14.635   57.200   14.236   23.534   2.6813   21.592   2.8628 1.942547 3.922323 
1 1 1    4   37   24 o   36.679   2.4522  162.288   21.117  163.800   29.979  160.800   29.751   36.445   3.5276   36.104   3.5350 0.3412476 4.994047 
1 1 1    4   37   25 o   2.4234   1.1234  -1.3321   1.5315   0.8000   3.1359  -2.0000   1.7551   4.4974   1.8454   2.4570   1.1593 2.040449 2.179345 
1 1 1    4   37   26 f   52.421   3.2137  336.017   39.588  303.400   56.001  368.600   55.972   48.680   4.9401   54.102   4.4198 -5.422188 6.628682 
1 1 1    4   37   27 o   17.206   1.8675   35.771   7.4658   41.600   11.128   31.000   10.068   18.379   2.6398   15.775   2.8056 2.604763 3.852303 
1 1 1    4   37   28 o   55.109   3.6486  378.083   47.211  300.000   67.085  454.700   66.453   46.857   6.2165   59.392   4.7788 -12.53467 7.841025 
1 1 1    4   37   29 o   31.278   2.2908  118.613   16.802   77.200   23.794  159.800   23.729   24.372   4.2911   36.105   2.8052 -11.73300 5.126681 
1 1 1    4   37   30 o   22.305   2.0204   60.282   10.526   53.600   15.224   66.400   14.569   20.612   3.2343   23.191   2.7116 -2.578398 4.220600 
1 1 1    4   37   31 o   39.015   2.6190  186.672   23.989  179.800   34.106  193.400   33.747   37.448   3.9148   39.004   3.7087 -1.555740 5.392613 
1 1 1    4   37   32 f  ?   ?   -6.7756   0.9083  -0.6000   1.4935 -10.4000   1.1442   2.6460   1.1795  ?   ?  0.000000 1.179530 
1 1 1    4   37   33 o   2.7253   1.2303  -0.8929   1.6821   0.6000   2.5778  -2.0000   2.2199   4.0414   1.6675   2.8885   1.3436 1.152872 2.141446 
1 1 1    4   37   34 f   17.960   2.6907   40.500   11.060   0.0000   0.0000   40.500   11.060  ?   ?    17.960   2.6907 0.000000 2.690711 
1 1 1    4   37   35 o   17.437   2.6662   38.300   10.629   0.0000   0.0000   38.300   10.629  ?   ?    17.437   2.6662 0.000000 2.666215 
1 1 1    4   37   36 o   14.664   2.6810   27.400   8.9415   0.0000   0.0000   27.400   8.9415  ?   ?    14.664   2.6810 0.000000 2.681048 
1 1 1    4   37   37 o   17.526   2.6500   39.100   10.625   0.0000   0.0000   39.100   10.625  ?   ?    17.526   2.6500 0.000000 2.650048 
1 1 1    4   37   38 o   11.464   2.6192   17.200   6.9352   0.0000   0.0000   17.200   6.9352  ?   ?    11.464   2.6192 0.000000 2.619189 
1 1 1    4   37   39 o   19.971   1.8942   49.607   8.8260   51.700   12.781   47.700   12.203   19.822   2.8093   19.036   2.7981 0.7853642 3.965063 
1 1 1    4   37   40 o   21.617   3.2360   64.700   16.011   0.0000   0.0000   64.700   16.011  ?   ?    21.617   3.2360 0.000000 3.236027 
1 1 1    4   37   41 f   10.949   2.8514   16.700   7.4450   16.700   7.4450   0.0000   0.0000   10.949   2.8514  ?   ?  0.000000 2.851410 
1 1 1    4   37   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   37   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   38    0 o   34.923   3.4479  149.200   27.797  149.200   27.797  149.200   27.797   34.923   3.4479   34.923   3.4479 0.000000 0.000000 
1 1 1    4   38    1 o   40.723   2.5769  198.212   24.652  170.500   34.808  226.100   34.918   37.423   4.0009   43.306   3.4430 -5.882370 5.278387 
1 1 1    4   38    2 o   28.721   2.0905   98.450   14.081   89.200   19.859  107.800   19.967   27.138   3.1581   29.928   2.8602 -2.790266 4.260801 
1 1 1    4   38    3 o   26.383   2.1161   83.180   13.072   64.600   18.604  101.300   18.372   22.949   3.5474   29.030   2.7114 -6.081102 4.464928 
1 1 1    4   38    4 o   78.462   4.5199  748.810   83.388  728.500  118.252  768.900  117.607   76.113   6.6461   78.371   6.4111 -2.258636 9.234344 
1 1 1    4   38    5 o   38.753   2.5331  179.603   23.053  178.900   32.668  180.300   32.537   38.417   3.6447   38.577   3.6139 -0.1595078 5.132684 
1 1 1    4   38    6 o   37.718   2.5484  170.243   22.565  148.200   32.053  191.900   31.772   34.839   3.9669   39.855   3.4087 -5.016247 5.230268 
1 1 1    4   38    7 o   30.439   2.0493  110.546   14.644  139.100   21.160   84.300   20.287   34.052   2.6525   26.310   3.3407 7.741796 4.265649 
1 1 1    4   38    8 o   57.158   3.5033  394.190   47.057  307.600   66.660  480.200   66.436   49.523   5.8107   62.678   4.5191 -13.15483 7.361176 
1 1 1    4   38    9 o   17.058   1.8045   34.908   7.1579   34.500   10.227   35.300   10.022   16.801   2.6669   17.018   2.5743 -0.2168255 3.706635 
1 1 1    4   38   10 o   15.048   1.8641   27.293   6.4824   25.200   9.6708   29.000   8.7353   14.250   2.9703   15.405   2.4859 -1.155565 3.873274 
1 1 1    4   38   11 o   97.001   5.0578  1162.19  115.449  1434.10  163.990  895.000  162.559  106.201   6.5715   81.837   8.5377 24.36407 10.77390 
1 1 1    4   38   12 o   41.108   2.4924  202.495   24.080  230.900   34.562  175.700   33.569   43.648   3.3796   37.906   3.8015 5.742416 5.086604 
1 1 1    4   38   13 o   51.480   3.3285  320.888   40.246  245.100   57.120  395.600   56.713   43.933   5.6359   56.745   4.2636 -12.81186 7.067005 
1 1 1    4   38   14 o   5.7278   1.8785   3.7377   2.9336   2.4000   4.5353   4.7000   3.8467   5.8115   2.2749   6.4600   2.1526 -0.6485090 3.131915 
1 1 1    4   38   15 o   13.202   1.8406   21.116   5.5817   22.700   7.9829   19.600   7.8074   13.552   2.5889   12.553   2.7131 0.9997311 3.750119 
1 1 1    4   38   16 o   36.792   2.4723  162.691   21.354  163.000   30.634  162.400   29.783   36.470   3.6043   36.439   3.5046 0.3167725E-01 5.027225 
1 1 1    4   38   17 f   17.088   1.8245   35.132   7.2483   34.600   10.598   35.600   9.9353   16.757   2.7755   17.056   2.5446 -0.2994766 3.765423 
1 1 1    4   38   18 o   22.958   1.8444   63.143   9.9143   75.700   14.262   51.400   13.792   25.024   2.4448   20.453   2.9401 4.570412 3.823778 
1 1 1    4   38   19 o   18.795   1.8817   42.498   8.2392   47.400   12.380   38.600   11.039   19.669   2.7399   17.718   2.7258 1.950718 3.864833 
1 1 1    4   38   20 o   19.558   1.8824   45.992   8.5860   46.100   12.683   45.900   11.666   19.357   2.8608   19.377   2.6164 -0.1981926E-01 3.876864 
1 1 1    4   38   21 o   32.479   2.3122  126.963   17.617  122.000   25.075  131.800   24.757   31.479   3.4287   32.802   3.2385 -1.323023 4.716352 
1 1 1    4   38   22 o   19.557   1.8658   46.005   8.5121   49.400   12.317   42.900   11.777   20.091   2.6617   18.676   2.7531 1.414545 3.829449 
1 1 1    4   38   23 o   29.944   2.1385  107.796   15.021  113.900   21.430  101.900   21.061   30.523   3.0126   28.809   3.1471 1.713099 4.356624 
1 1 1    4   38   24 o   18.556   1.9367   41.545   8.3610   38.400   12.357   44.200   11.354   17.544   3.0961   18.990   2.6004 -1.446381 4.043261 
1 1 1    4   38   25 o   35.466   2.4946  152.214   20.758  142.400   29.772  161.500   28.959   33.762   3.8004   36.154   3.4333 -2.391659 5.121612 
1 1 1    4   38   26 f   7.6369   2.0649   7.2246   3.8132   6.7000   6.4993   7.5000   4.7088   7.9023   2.7921   7.8479   2.3539 0.5432320E-01 3.651941 
1 1 1    4   38   27 o   60.626   3.7171  458.669   52.957  408.200   74.981  508.900   74.805   55.055   5.8575   62.401   5.1218 -7.346157 7.780931 
1 1 1    4   38   28 o   40.042   2.6680  195.853   25.082  186.600   35.674  204.900   35.273   38.297   4.0040   40.322   3.7475 -2.024548 5.484097 
1 1 1    4   38   29 o   32.649   2.3014  129.514   17.629  111.200   24.906  147.900   24.956   29.620   3.6374   34.520   3.0944 -4.899982 4.775569 
1 1 1    4   38   30 o   22.444   1.9936   61.137   10.456   55.300   15.038   66.600   14.547   20.922   3.1408   23.178   2.7091 -2.255539 4.147756 
1 1 1    4   38   31 o   26.684   2.1021   86.620   13.138   66.200   18.613  106.900   18.549   22.661   3.5986   29.392   2.7028 -6.731039 4.500579 
1 1 1    4   38   32 o   31.397   3.3349  125.000   24.346   0.0000   0.0000  125.000   24.346  ?   ?    31.397   3.3349 0.000000 3.334929 
1 1 1    4   38   33 o   36.341   3.6521  169.700   30.916   0.0000   0.0000  169.700   30.916  ?   ?    36.341   3.6521 0.000000 3.652071 
1 1 1    4   38   34 o   7.3120   2.3681   6.4000   4.6684   0.0000   0.0000   6.4000   4.6684  ?   ?    7.3120   2.3681 0.000000 2.368123 
1 1 1    4   38   35 o   3.6471   1.5645  -0.1000   2.4144   0.0000   0.0000  -0.1000   2.4144  ?   ?    3.6471   1.5645 0.000000 1.564515 
1 1 1    4   38   36 o   20.444   2.7587   53.300   12.978   0.0000   0.0000   53.300   12.978  ?   ?    20.444   2.7587 0.000000 2.758666 
1 1 1    4   38   37 o   32.320   3.5703  140.900   26.793   0.0000   0.0000  140.900   26.793  ?   ?    32.320   3.5703 0.000000 3.570322 
1 1 1    4   38   38 f   8.7363   2.4541  10.0000   5.2717   0.0000   0.0000  10.0000   5.2717  ?   ?    8.7363   2.4541 0.000000 2.454071 
1 1 1    4   38   39 f   2.5823   1.2577  -4.3000   2.4683  -4.3000   2.4683   0.0000   0.0000   2.5823   1.2577  ?   ?  0.000000 1.257702 
1 1 1    4   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   38   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   38   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   39    0 o   15.943   2.9588   33.100   10.012   33.100   10.012   33.100   10.012   15.943   2.9588   15.943   2.9588 -0.000000 0.000000 
1 1 1    4   39    1 o   75.043   4.2558  685.791   75.104  632.900  106.104  738.900  106.322   70.726   6.4232   76.844   5.9045 -6.118362 8.724737 
1 1 1    4   39    2 o   79.672   4.5253  775.938   84.786  737.200  119.810  814.800  120.001   76.101   6.7368   80.325   6.3791 -4.223724 9.277779 
1 1 1    4   39    3 o   27.898   2.0751   93.026   13.572  101.400   19.222   84.700   19.166   28.985   2.8451   26.401   3.1357 2.584251 4.234036 
1 1 1    4   39    4 o   69.521   3.9266  586.621   64.196  662.600   90.925  511.100   90.650   73.098   5.3038   63.658   6.1054 9.439312 8.087349 
1 1 1    4   39    5 o   45.765   2.8625  251.570   30.779  253.300   43.919  249.900   43.148   45.509   4.1319   45.218   4.0851 0.2914391 5.810393 
1 1 1    4   39    6 o   49.142   3.0254  290.600   34.937  283.900   49.596  297.200   49.222   48.063   4.4193   49.245   4.2753 -1.182014 6.148866 
1 1 1    4   39    7 o   57.811   3.1087  402.407   42.282  486.400   60.213  320.700   59.387   63.156   4.0590   50.791   5.0172 12.36556 6.453497 
1 1 1    4   39    8 o   32.745   2.2424  128.340   17.234  139.400   24.496  117.500   24.251   33.933   3.0911   31.057   3.3603 2.875147 4.565828 
1 1 1    4   39    9 f   47.913   2.6569  275.516   29.943  336.600   42.940  217.700   41.776   52.683   3.4711   42.020   4.2695 10.66335 5.502482 
1 1 1    4   39   10 o   16.082   1.8507   31.138   6.8999   28.100   10.096   33.800   9.4519   15.050   2.9462   16.644   2.4807 -1.593723 3.851516 
1 1 1    4   39   11 f   17.079   1.8891   35.104   7.4912   34.200   11.356   35.800   9.9678   16.626   3.0029   17.123   2.5425 -0.4967461 3.934676 
1 1 1    4   39   12 o   63.592   3.6965  492.700   55.269  521.300   78.300  464.300   78.025   64.474   5.1869   60.599   5.5129 3.874615 7.569437 
1 1 1    4   39   13 o   14.791   1.7742   26.371   6.0730   32.300   9.5176   22.300   7.8873   16.233   2.5683   13.428   2.5812 2.805428 3.641321 
1 1 1    4   39   14 o   37.733   2.5273  171.291   22.389  161.500   31.812  180.900   31.514   36.221   3.7748   38.458   3.5089 -2.236725 5.153831 
1 1 1    4   39   15 o   27.580   2.0602   91.202   13.320   65.400   18.766  117.400   18.909   22.940   3.5814   31.183   2.5915 -8.242384 4.420665 
1 1 1    4   39   16 o   21.116   2.0462   53.672   10.075   41.300   14.641   64.800   13.885   18.134   3.5461   23.099   2.5902 -4.965172 4.391342 
1 1 1    4   39   17 o   33.549   2.2818  135.246   17.969  145.300   25.680  125.600   25.153   34.502   3.1881   31.992   3.3808 2.510178 4.646973 
1 1 1    4   39   18 o   10.929   2.0386   14.702   5.0674   7.2000   7.3494   21.500   6.9964   8.3073   2.9655   13.214   2.3271 -4.907089 3.769561 
1 1 1    4   39   19 o   34.251   2.4215  141.354   19.459  131.000   27.800  151.300   27.246   32.539   3.6829   35.139   3.3230 -2.599789 4.960477 
1 1 1    4   39   20 o   20.282   1.9150   49.482   9.0631   48.000   13.211   50.800   12.456   19.733   2.9237   20.385   2.6504 -0.6518402 3.946246 
1 1 1    4   39   21 o   15.007   1.8360   27.235   6.3708   22.400   9.1422   31.800   8.8828   13.355   2.9752   16.110   2.4090 -2.755249 3.828148 
1 1 1    4   39   22 o   30.318   2.2982  110.817   16.331   86.500   23.249  134.500   22.944   26.252   3.8663   33.204   2.9572 -6.952675 4.867555 
1 1 1    4   39   23 o   25.326   2.0058   77.149   11.897   85.500   17.453   69.900   16.261   26.436   2.8404   23.840   2.9515 2.595299 4.096274 
1 1 1    4   39   24 o   38.411   2.6726  179.279   24.090  159.300   34.448  198.400   33.700   35.472   4.1937   39.964   3.6101 -4.491993 5.533532 
1 1 1    4   39   25 f   45.082   2.8734  248.227   30.430  244.500   43.191  251.900   42.878   43.915   4.2169   44.653   4.1128 -0.7376633 5.890414 
1 1 1    4   39   26 f   49.552   3.1316  302.563   36.454  249.200   51.609  355.700   51.500   43.465   5.1270   52.925   4.1542 -9.460091 6.598711 
1 1 1    4   39   27 o   33.664   2.4027  137.809   18.975  119.500   26.952  155.800   26.718   30.674   3.8025   35.402   3.2316 -4.728436 4.990248 
1 1 1    4   39   28 o   11.579   2.0167   16.581   5.3137   7.6000   7.9298   23.900   7.1587   8.4849   3.0739   13.892   2.2600 -5.406776 3.815332 
1 1 1    4   39   29 o  ?   ?  -10.7532   1.0150   0.5000   4.0687 -11.5000   1.0481   4.9219   2.0676  ?   ?  0.000000 2.067580 
1 1 1    4   39   30 o   28.357   3.1282  101.100   20.598   0.0000   0.0000  101.100   20.598  ?   ?    28.357   3.1282 0.000000 3.128216 
1 1 1    4   39   31 o   17.380   2.6908   37.900   10.686   0.0000   0.0000   37.900   10.686  ?   ?    17.380   2.6908 0.000000 2.690822 
1 1 1    4   39   32 o   19.282   2.7465   46.700   12.152   0.0000   0.0000   46.700   12.152  ?   ?    19.282   2.7465 0.000000 2.746533 
1 1 1    4   39   33 o   27.282   3.1012   94.400   19.624   0.0000   0.0000   94.400   19.624  ?   ?    27.282   3.1012 0.000000 3.101183 
1 1 1    4   39   34 o   18.897   2.7034   45.200   11.720   0.0000   0.0000   45.200   11.720  ?   ?    18.897   2.7034 0.000000 2.703427 
1 1 1    4   39   35 o   10.889   2.6312   15.400   6.6901   0.0000   0.0000   15.400   6.6901  ?   ?    10.889   2.6312 0.000000 2.631207 
1 1 1    4   39   36 o   24.530   3.0849   79.200   17.474   0.0000   0.0000   79.200   17.474  ?   ?    24.530   3.0849 0.000000 3.084873 
1 1 1    4   39   37 o   18.818   2.8950   47.100   12.452   0.0000   0.0000   47.100   12.452  ?   ?    18.818   2.8950 0.000000 2.894991 
1 1 1    4   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   39   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   40    0 o   30.406   3.2543  113.900   22.691  113.900   22.691  113.900   22.691   30.406   3.2543   30.406   3.2543 -0.000000 0.000000 
1 1 1    4   40    1 o   34.969   2.3582  146.547   19.359  164.400   27.419  128.800   27.337   36.832   3.1838   32.438   3.6313 4.394470 4.829373 
1 1 1    4   40    2 o   52.928   3.1830  338.300   39.596  342.300   55.995  334.300   56.001   52.640   4.5495   51.986   4.6097 0.6533089 6.476650 
1 1 1    4   40    3 f   83.154   4.5524  851.246   89.051  1025.80  126.192  678.100  125.682   90.008   5.9712   71.692   7.5369 18.31569 9.615623 
1 1 1    4   40    4 o   25.809   2.0053   79.727   12.125   87.300   17.231   72.300   17.065   26.859   2.7559   24.351   3.0335 2.508406 4.098407 
1 1 1    4   40    5 o   37.878   2.3991  171.983   21.348  134.700   30.084  209.800   30.299   33.067   3.9298   41.652   3.1028 -8.585030 5.007048 
1 1 1    4   40    6 o   16.117   1.7607   31.217   6.5917   39.800   9.8671   24.300   8.8584   18.112   2.3635   14.002   2.7772 4.109377 3.646772 
1 1 1    4   40    7 o   75.406   4.3338  699.211   76.843  718.100  109.225  680.700  108.127   74.862   6.2354   72.765   6.3567 2.096985 8.904359 
1 1 1    4   40    8 o   31.753   2.2365  120.864   16.662  123.500   23.729  118.300   23.402   31.853   3.1979   31.160   3.2272 0.6932163 4.543292 
1 1 1    4   40    9 o   47.181   2.6980  267.786   29.934  318.100   42.867  219.900   41.820   51.091   3.5757   42.150   4.2602 8.941132 5.561926 
1 1 1    4   40   10 o   13.881   1.8341   23.310   5.8648   15.700   7.9898   32.200   8.6360   11.222   2.9691   16.261   2.3144 -5.038638 3.764569 
1 1 1    4   40   11 o   29.216   2.1265  102.353   14.570  110.600   21.073   94.800   20.168   30.156   2.9991   27.863   3.1187 2.292168 4.326731 
1 1 1    4   40   12 o   15.419   1.8351   28.684   6.5504   19.500   9.3870   37.400   9.1451   12.468   3.1788   17.553   2.2587 -5.085678 3.899565 
1 1 1    4   40   13 o   23.294   1.9360   65.085   10.553   74.700   15.140   56.000   14.717   24.814   2.6236   21.350   3.0021 3.464020 3.986966 
1 1 1    4   40   14 o   41.607   2.7358  209.036   26.729  189.500   37.984  228.200   37.619   39.027   4.1871   43.077   3.7353 -4.050571 5.611045 
1 1 1    4   40   15 o   22.782   1.9558   62.315   10.419   60.500   14.796   64.100   14.675   22.229   2.8870   22.923   2.7671 -0.6937065 3.998935 
1 1 1    4   40   16 o   25.435   1.9537   77.577   11.644   91.000   17.072   65.900   15.923   27.387   2.6740   23.184   2.9773 4.202667 4.001804 
1 1 1    4   40   17 o   11.986   2.0629   17.627   5.6282   14.600   8.9604   19.600   7.2331   10.886   3.2430   12.562   2.5260 -1.675087 4.110707 
1 1 1    4   40   18 o   18.932   1.8383   43.096   8.1146   46.900   11.726   39.600   11.241   19.590   2.5990   17.939   2.7407 1.651094 3.777038 
1 1 1    4   40   19 f   72.129   4.2885  648.191   72.714  631.800  103.121  664.400  102.548   69.060   6.3961   71.093   6.1697 -2.032570 8.886845 
1 1 1    4   40   20 o   44.988   2.8425  245.462   30.041  222.800   42.449  268.200   42.521   42.125   4.3289   46.499   3.9088 -4.374031 5.832511 
1 1 1    4   40   21 o   25.716   2.0725   79.612   12.478   71.300   17.768   87.700   17.528   23.999   3.2162   26.791   2.8126 -2.791473 4.272570 
1 1 1    4   40   22 o   50.033   3.1054  306.223   36.508  300.500   51.736  311.900   51.525   48.603   4.5612   49.611   4.4454 -1.007404 6.369117 
1 1 1    4   40   23 o   26.229   2.2027   83.199   13.516   65.400   19.427   99.900   18.817   22.708   3.7540   28.550   2.8284 -5.841837 4.700304 
1 1 1    4   40   24 o   34.790   2.3253  146.549   18.993  164.000   27.396  130.400   26.354   36.410   3.2196   32.297   3.5122 4.113117 4.764644 
1 1 1    4   40   25 o   42.626   2.8054  222.505   28.081  209.400   39.952  235.300   39.476   40.432   4.2482   43.124   3.9194 -2.691929 5.780054 
1 1 1    4   40   26 o   47.262   3.0393  275.798   33.740  260.200   47.946  291.100   47.487   44.662   4.6126   47.571   4.2729 -2.909138 6.287648 
1 1 1    4   40   27 o   38.365   3.7864  187.600   33.856   0.0000   0.0000  187.600   33.856  ?   ?    38.365   3.7864 0.000000 3.786423 
1 1 1    4   40   28 o   25.342   2.9340   80.200   17.233   0.0000   0.0000   80.200   17.233  ?   ?    25.342   2.9340 0.000000 2.933963 
1 1 1    4   40   29 f   11.961   2.5308   18.100   6.9248   0.0000   0.0000   18.100   6.9248  ?   ?    11.961   2.5308 0.000000 2.530776 
1 1 1    4   40   30 o   33.663   3.4546  144.100   27.071   0.0000   0.0000  144.100   27.071  ?   ?    33.663   3.4546 0.000000 3.454593 
1 1 1    4   40   31 o   19.223   2.7239   46.400   12.019   0.0000   0.0000   46.400   12.019  ?   ?    19.223   2.7239 0.000000 2.723902 
1 1 1    4   40   32 o   22.556   2.8702   64.200   14.941   0.0000   0.0000   64.200   14.941  ?   ?    22.556   2.8702 0.000000 2.870188 
1 1 1    4   40   33 f   23.319   3.0182   69.600   16.230   0.0000   0.0000   69.600   16.230  ?   ?    23.319   3.0182 0.000000 3.018249 
1 1 1    4   40   34 o   5.3628   2.2314   1.1000   4.6721   0.0000   0.0000   1.1000   4.6721  ?   ?    5.3628   2.2314 0.000000 2.231369 
1 1 1    4   40   35 o   1.9128   0.9544  -4.6000   1.7504   0.0000   0.0000  -4.6000   1.7504  ?   ?    1.9128   0.9544 0.000000 0.9544426 
1 1 1    4   40   36 o   15.938   2.7530   33.700   9.9862   0.0000   0.0000   33.700   9.9862  ?   ?    15.938   2.7530 0.000000 2.753005 
1 1 1    4   40   37 o   15.415   3.0452   32.700   10.691   0.0000   0.0000   32.700   10.691  ?   ?    15.415   3.0452 0.000000 3.045213 
1 1 1    4   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   41    0 o   24.314   2.9367   73.400   16.208   73.400   16.208   73.400   16.208   24.314   2.9367   24.314   2.9367 0.000000 0.000000 
1 1 1    4   41    1 o   24.958   1.8924   74.528   11.070   59.400   15.471   90.400   15.847   22.011   3.0592   27.382   2.4776 -5.370918 3.936708 
1 1 1    4   41    2 o   23.171   2.0094   64.414   10.886   51.800   15.530   76.600   15.264   20.457   3.3293   25.157   2.6073 -4.700377 4.228768 
1 1 1    4   41    3 o   35.610   2.3513  152.173   19.660  117.300   27.754  187.300   27.854   30.789   3.9052   39.328   3.0225 -8.539234 4.938220 
1 1 1    4   41    4 o   11.653   1.7637   16.501   4.7015   12.000   6.6870   20.900   6.6114   9.8586   2.7621   13.057   2.2240 -3.198289 3.546165 
1 1 1    4   41    5 o   38.207   2.5071  175.505   22.494  173.700   31.851  177.300   31.770   37.644   3.6281   38.054   3.5776 -0.4099693 5.095357 
1 1 1    4   41    6 o   18.833   1.8300   42.583   8.0354   29.400   11.357   55.800   11.371   15.323   3.2399   21.498   2.2745 -6.174590 3.958553 
1 1 1    4   41    7 o   32.737   2.3131  128.715   17.766  110.200   25.170  147.100   25.081   29.897   3.6404   34.789   3.0851 -4.892067 4.771825 
1 1 1    4   41    8 o   57.592   2.8699  399.193   39.029  513.500   56.393  294.100   54.072   64.818   3.6997   48.422   4.7919 16.39646 6.053957 
1 1 1    4   41    9 f   71.779   3.9134  632.416   66.079  734.600   94.003  532.600   92.907   76.237   5.2538   64.023   6.2241 12.21437 8.145036 
1 1 1    4   41   10 o   15.055   1.7910   27.339   6.2420   31.500   9.5192   24.200   8.2675   16.006   2.6084   13.988   2.5986 2.017832 3.681957 
1 1 1    4   41   11 o   32.439   2.1933  126.265   16.702  143.900   23.781  109.100   23.462   34.424   2.9541   29.802   3.3944 4.622314 4.499891 
1 1 1    4   41   12 o   7.9437   1.9812   7.8177   3.7039   23.300   6.8803   1.5000   4.3951   13.803   2.1836   5.4395   2.2025 8.363445 3.101443 
1 1 1    4   41   13 o   34.155   2.2515  140.093   18.057  165.000   25.834  116.300   25.250   36.851   2.9946   30.713   3.5468 6.138191 4.641934 
1 1 1    4   41   14 o   17.021   1.8848   34.936   7.4486   42.700   11.262   28.900   9.9308   18.676   2.6263   15.247   2.8634 3.428874 3.885383 
1 1 1    4   41   15 o   24.799   2.0384   73.888   11.831   62.200   16.833   85.300   16.633   22.421   3.2760   26.496   2.6960 -4.074869 4.242758 
1 1 1    4   41   16 o   40.052   2.6099  193.702   24.549  193.600   35.015  193.800   34.429   39.561   3.7947   39.615   3.7242 -0.5327606E-01 5.316870 
1 1 1    4   41   17 o   22.766   2.0331   62.378   10.814   56.800   15.711   67.400   14.908   21.411   3.2061   23.498   2.7382 -2.086344 4.216216 
1 1 1    4   41   18 o   51.633   2.9560  323.742   35.891  371.400   51.229  277.800   50.299   54.704   3.9934   46.899   4.6011 7.805202 6.092383 
1 1 1    4   41   19 o   19.044   1.9709   43.782   8.7344   33.600   12.671   53.000   12.057   16.297   3.4024   20.845   2.4992 -4.547665 4.221687 
1 1 1    4   41   20 o   46.274   2.9375  261.124   31.931  264.200   44.982  258.000   45.336   45.798   4.2064   45.190   4.3003 0.6072311 6.015528 
1 1 1    4   41   21 o   27.200   2.2159   89.437   14.109   73.200   20.235  104.800   19.683   24.091   3.6732   29.231   2.8894 -5.139397 4.673428 
1 1 1    4   41   22 o   45.991   2.7522  257.884   29.752  297.000   42.560  220.500   41.607   48.743   3.7259   41.580   4.2997 7.162975 5.689407 
1 1 1    4   41   23 o   3.6104   1.5071   0.3014   2.1412   16.700   5.8855  -2.2000   2.2987   11.589   2.2316   2.9103   1.3583 8.679059 2.612451 
1 1 1    4   41   24 o   50.853   3.2536  320.617   38.866  302.400   55.377  338.300   54.561   47.907   4.9673   51.089   4.5709 -3.181503 6.750390 
1 1 1    4   41   25 o   3.3900   1.5274  -1.3000   2.5785   0.0000   0.0000  -1.3000   2.5785  ?   ?    3.3900   1.5274 0.000000 1.527431 
1 1 1    4   41   26 o   15.576   2.5607   30.300   9.0912   0.0000   0.0000   30.300   9.0912  ?   ?    15.576   2.5607 0.000000 2.560731 
1 1 1    4   41   27 o   32.339   3.3631  132.100   25.306   0.0000   0.0000  132.100   25.306  ?   ?    32.339   3.3631 0.000000 3.363120 
1 1 1    4   41   28 o   40.418   3.9587  211.000   37.298   0.0000   0.0000  211.000   37.298  ?   ?    40.418   3.9587 0.000000 3.958740 
1 1 1    4   41   29 o   13.765   2.6578   24.000   8.3261   0.0000   0.0000   24.000   8.3261  ?   ?    13.765   2.6578 0.000000 2.657794 
1 1 1    4   41   30 o   27.998   3.2177   99.600   20.887   0.0000   0.0000   99.600   20.887  ?   ?    27.998   3.2177 0.000000 3.217686 
1 1 1    4   41   31 o   24.485   2.9581   76.000   16.756   0.0000   0.0000   76.000   16.756  ?   ?    24.485   2.9581 0.000000 2.958137 
1 1 1    4   41   32 f   32.545   3.5257  138.800   26.663   0.0000   0.0000  138.800   26.663  ?   ?    32.545   3.5257 0.000000 3.525741 
1 1 1    4   41   33 o   13.021   2.8387   22.300   8.4824   0.0000   0.0000   22.300   8.4824  ?   ?    13.021   2.8387 0.000000 2.838744 
1 1 1    4   41   34 o   26.725   3.2791   95.700   20.259   0.0000   0.0000   95.700   20.259  ?   ?    26.725   3.2791 0.000000 3.279093 
1 1 1    4   41   35 o   6.0344   2.4816   2.2000   5.6860   0.0000   0.0000   2.2000   5.6860  ?   ?    6.0344   2.4816 0.000000 2.481559 
1 1 1    4   41   36 o   11.495   3.2273   18.700   9.1195   0.0000   0.0000   18.700   9.1195  ?   ?    11.495   3.2273 0.000000 3.227332 
1 1 1    4   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   41   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   42    0 o   15.598   3.0218   32.000   9.9284   32.000   9.9284   32.000   9.9284   15.598   3.0218   15.598   3.0218 -0.000000 0.000000 
1 1 1    4   42    1 o   15.346   1.7930   28.389   6.3748   22.800   9.0065   34.000   9.0242   13.513   2.9087   16.703   2.3532 -3.190514 3.741413 
1 1 1    4   42    2 o   38.155   2.5056  175.155   22.449  176.300   31.676  174.000   31.820   37.916   3.5802   37.649   3.6239 0.2670555 5.094159 
1 1 1    4   42    3 o   45.192   2.7500  246.340   29.207  282.500   41.426  210.600   41.185   48.018   3.6816   41.142   4.3030 6.876068 5.663005 
1 1 1    4   42    4 o   17.770   1.8290   37.967   7.5647   43.300   10.784   32.800   10.614   18.857   2.4822   16.282   2.8654 2.574982 3.791034 
1 1 1    4   42    5 o   18.039   1.8030   39.099   7.5773   39.400   10.730   38.800   10.702   17.943   2.6088   17.800   2.6250 0.1436825 3.700856 
1 1 1    4   42    6 f   6.4369   1.9125   4.9993   3.1193  -0.6000   3.9102   14.800   5.1732   4.5355   1.9684   10.963   2.0742 -6.427766 2.859576 
1 1 1    4   42    7 f   16.261   1.7928   31.838   6.7697   38.700   9.5820   25.000   9.5656   17.841   2.3301   14.148   2.9584 3.693285 3.765790 
1 1 1    4   42    8 o   42.976   2.6183  222.536   26.445  252.500   37.631  193.300   37.170   45.424   3.5362   39.492   4.0429 5.932041 5.371170 
1 1 1    4   42    9 o   33.137   2.2353  131.848   17.389  147.200   24.929  117.300   24.267   34.775   3.0673   30.911   3.3797 3.863455 4.564067 
1 1 1    4   42   10 o   21.713   1.7526   56.460   8.9095   76.100   13.088   39.500   12.162   25.133   2.2284   17.862   2.9891 7.271061 3.728381 
1 1 1    4   42   11 o   61.141   3.5082  456.741   50.437  501.300   71.662  413.000   71.001   63.121   4.8448   56.882   5.3488 6.238865 7.216801 
1 1 1    4   42   12 o   63.005   3.8409  488.418   56.871  425.200   80.599  551.100   80.257   57.083   6.0728   65.857   5.2032 -8.774658 7.996989 
1 1 1    4   42   13 o   32.357   2.3096  126.007   17.531  122.800   25.020  129.100   24.572   31.592   3.4079   32.458   3.2495 -0.8666878 4.708822 
1 1 1    4   42   14 o   40.807   2.6494  201.189   25.392  201.800   36.229  200.600   35.598   40.368   3.8471   40.276   3.7875 0.9258652E-01 5.398640 
1 1 1    4   42   15 o   14.695   1.9023   26.172   6.4459   26.700   10.026   25.800   8.4154   14.599   3.0085   14.445   2.5609 0.1540089 3.950893 
1 1 1    4   42   16 o   18.110   1.9213   39.577   8.0910   35.900   11.839   42.800   11.083   16.958   3.0695   18.688   2.5804 -1.730188 4.010013 
1 1 1    4   42   17 o   24.818   2.0790   74.220   12.071   71.000   17.413   77.200   16.749   23.958   3.1547   25.089   2.8793 -1.131111 4.271142 
1 1 1    4   42   18 f   32.182   2.3204  125.134   17.515   99.500   24.836  150.500   24.706   28.112   3.8420   35.046   3.0147 -6.934635 4.883525 
1 1 1    4   42   19 o   11.446   1.8591   16.048   4.8524   27.900   7.1447   5.9000   6.6111   15.126   2.0534   7.6739   2.8027 7.452065 3.474382 
1 1 1    4   42   20 o   38.134   2.5693  176.815   23.001  176.200   32.954  177.400   32.120   37.452   3.7778   37.649   3.6592 -0.1971321 5.259457 
1 1 1    4   42   21 o   8.7018   1.9610   9.4308   3.9330   15.100   6.0163   5.2000   5.1973   10.979   2.3885   7.0179   2.4950 3.961365 3.453962 
1 1 1    4   42   22 o   20.288   2.7453   51.000   12.814   0.0000   0.0000   51.000   12.814  ?   ?    20.288   2.7453 0.000000 2.745336 
1 1 1    4   42   23 o   50.633   4.7237  336.500   55.826   0.0000   0.0000  336.500   55.826  ?   ?    50.633   4.7237 0.000000 4.723705 
1 1 1    4   42   24 o   24.229   2.8992   73.100   16.257   0.0000   0.0000   73.100   16.257  ?   ?    24.229   2.8992 0.000000 2.899158 
1 1 1    4   42   25 o   21.513   2.7999   57.700   13.886   0.0000   0.0000   57.700   13.886  ?   ?    21.513   2.7999 0.000000 2.799909 
1 1 1    4   42   26 o   40.227   3.9140  208.200   36.708   0.0000   0.0000  208.200   36.708  ?   ?    40.227   3.9140 0.000000 3.914038 
1 1 1    4   42   27 o   25.391   3.0023   80.900   17.652   0.0000   0.0000   80.900   17.652  ?   ?    25.391   3.0023 0.000000 3.002263 
1 1 1    4   42   28 o   14.421   2.7359   26.400   8.9754   0.0000   0.0000   26.400   8.9754  ?   ?    14.421   2.7359 0.000000 2.735854 
1 1 1    4   42   29 o   40.543   4.0386  216.000   38.150   0.0000   0.0000  216.000   38.150  ?   ?    40.543   4.0386 0.000000 4.038566 
1 1 1    4   42   30 o   14.466   2.9442   27.100   9.7151   0.0000   0.0000   27.100   9.7151  ?   ?    14.466   2.9442 0.000000 2.944196 
1 1 1    4   42   31 f   11.894   2.9202   18.600   8.1412   0.0000   0.0000   18.600   8.1412  ?   ?    11.894   2.9202 0.000000 2.920156 
1 1 1    4   42   32 o   4.8658   2.1749  -1.7000   5.1146   0.0000   0.0000  -1.7000   5.1146  ?   ?    4.8658   2.1749 0.000000 2.174931 
1 1 1    4   42   33 o   16.466   3.1297   36.700   11.724   0.0000   0.0000   36.700   11.724  ?   ?    16.466   3.1297 0.000000 3.129652 
1 1 1    4   42   34 o   16.424   2.9623   36.500   11.066   0.0000   0.0000   36.500   11.066  ?   ?    16.424   2.9623 0.000000 2.962297 
1 1 1    4   42   35 o   24.060   3.2632   80.400   18.061   0.0000   0.0000   80.400   18.061  ?   ?    24.060   3.2632 0.000000 3.263162 
1 1 1    4   42   36 o   7.9704   2.6357   8.3000   5.7706   0.0000   0.0000   8.3000   5.7706  ?   ?    7.9704   2.6357 0.000000 2.635660 
1 1 1    4   42   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   42   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   43    0 o   4.9923   2.6207   4.3000   4.0834   4.3000   4.0834   4.3000   4.0834   4.9923   2.6207   4.9923   2.6207 0.000000 0.000000 
1 1 1    4   43    1 o   10.781   1.8855   14.240   4.6253   14.700   6.6161   13.800   6.4686   10.853   2.6130   10.518   2.6155 0.3352680 3.697133 
1 1 1    4   43    2 o   31.247   2.1603  117.164   15.842  142.000   22.536   92.900   22.275   34.233   2.8127   27.424   3.5210 6.808903 4.506535 
1 1 1    4   43    3 o   15.416   1.7480   28.628   6.2508   24.500   8.8171   32.800   8.8629   14.039   2.7580   16.393   2.3574 -2.353762 3.628239 
1 1 1    4   43    4 o   19.029   1.8496   43.517   8.2059   48.100   11.583   38.900   11.627   19.873   2.5253   17.756   2.8710 2.117189 3.823562 
1 1 1    4   43    5 o   48.141   2.8551  280.179   32.311  317.200   45.896  243.800   45.497   50.757   3.8581   44.177   4.4207 6.579983 5.867486 
1 1 1    4   43    6 o   19.445   1.8466   45.424   8.3772   54.000   11.900   37.000   11.795   21.094   2.4337   17.273   3.0006 3.820965 3.863456 
1 1 1    4   43    7 o   47.494   2.8641  272.876   31.971  304.000   45.341  242.100   45.087   49.644   3.8992   44.013   4.3970 5.630466 5.876870 
1 1 1    4   43    8 o   14.034   1.8558   23.860   5.9991   23.500   8.6047   24.200   8.3682   13.740   2.7481   13.972   2.6329 -0.2319584 3.805818 
1 1 1    4   43    9 o   18.045   1.8223   39.172   7.6586   40.200   10.988   38.200   10.680   18.104   2.6488   17.639   2.6456 0.4641914 3.743698 
1 1 1    4   43   10 o   6.7536   1.9072   5.5812   3.1751   4.3000   4.7706   6.6000   4.2542   6.5758   2.3840   7.4018   2.2413 -0.8259625 3.272104 
1 1 1    4   43   11 o   32.564   2.3091  127.638   17.640  126.300   25.324  128.900   24.586   32.040   3.3991   32.425   3.2551 -0.3850975 4.706327 
1 1 1    4   43   12 f   54.550   3.1818  362.658   40.807  393.700   58.132  332.500   57.298   56.043   4.4288   51.225   4.7926 4.817532 6.525563 
1 1 1    4   43   13 o   24.208   2.1141   70.631   11.964   47.600   17.103   92.700   16.742   19.338   3.8804   27.627   2.5968 -8.289900 4.669148 
1 1 1    4   43   14 o   10.320   1.9211   13.119   4.5095   14.100   6.6838   12.300   6.1095   10.606   2.6705   9.9201   2.5828 0.6856318 3.715183 
1 1 1    4   43   15 o   31.846   2.3064  122.459   17.226  118.500   24.712  126.200   24.025   30.908   3.4446   32.000   3.2233 -1.092100 4.717524 
1 1 1    4   43   16 o   39.628   2.5422  190.304   23.664  208.400   33.699  172.700   33.237   41.010   3.5138   37.134   3.8461 3.876003 5.209515 
1 1 1    4   43   17 o   31.011   2.2147  116.157   16.111  130.200   22.902  102.400   22.668   32.539   3.0149   28.661   3.4166 3.878229 4.556607 
1 1 1    4   43   18 f   42.105   3.9573  223.600   38.884   0.0000   0.0000  223.600   38.884  ?   ?    42.105   3.9573 0.000000 3.957267 
1 1 1    4   43   19 o   38.491   3.7259  186.200   33.441   0.0000   0.0000  186.200   33.441  ?   ?    38.491   3.7259 0.000000 3.725901 
1 1 1    4   43   20 o   20.951   2.7124   54.300   13.104   0.0000   0.0000   54.300   13.104  ?   ?    20.951   2.7124 0.000000 2.712394 
1 1 1    4   43   21 o   41.892   4.0231  224.400   39.308   0.0000   0.0000  224.400   39.308  ?   ?    41.892   4.0231 0.000000 4.023117 
1 1 1    4   43   22 o   31.429   3.2800  123.900   23.984   0.0000   0.0000  123.900   23.984  ?   ?    31.429   3.2800 0.000000 3.279951 
1 1 1    4   43   23 o   28.244   3.2407  100.300   21.222   0.0000   0.0000  100.300   21.222  ?   ?    28.244   3.2407 0.000000 3.240698 
1 1 1    4   43   24 o   8.4285   2.9087   8.1000   7.0297   0.0000   0.0000   8.1000   7.0297  ?   ?    8.4285   2.9087 0.000000 2.908699 
1 1 1    4   43   25 o   27.873   3.1247   97.600   20.212   0.0000   0.0000   97.600   20.212  ?   ?    27.873   3.1247 0.000000 3.124674 
1 1 1    4   43   26 o   32.306   3.4294  132.800   25.761   0.0000   0.0000  132.800   25.761  ?   ?    32.306   3.4294 0.000000 3.429446 
1 1 1    4   43   27 o   3.4789   1.6492  -4.3000   3.6307   0.0000   0.0000  -4.3000   3.6307  ?   ?    3.4789   1.6492 0.000000 1.649206 
1 1 1    4   43   28 o   17.668   2.7139   39.500   10.960   0.0000   0.0000   39.500   10.960  ?   ?    17.668   2.7139 0.000000 2.713858 
1 1 1    4   43   29 o   19.872   2.8660   50.500   13.060   0.0000   0.0000   50.500   13.060  ?   ?    19.872   2.8660 0.000000 2.866016 
1 1 1    4   43   30 o   9.2564   2.6100   11.100   5.9511   0.0000   0.0000   11.100   5.9511  ?   ?    9.2564   2.6100 0.000000 2.609963 
1 1 1    4   43   31 o   26.057   3.1784   90.000   19.151   0.0000   0.0000   90.000   19.151  ?   ?    26.057   3.1784 0.000000 3.178417 
1 1 1    4   43   32 o   32.405   3.7080  147.000   27.863   0.0000   0.0000  147.000   27.863  ?   ?    32.405   3.7080 0.000000 3.708012 
1 1 1    4   43   33 f   13.557   2.9040   25.000   9.0169   0.0000   0.0000   25.000   9.0169  ?   ?    13.557   2.9040 0.000000 2.904024 
1 1 1    4   43   34 o   26.992   3.3364  101.700   20.812   0.0000   0.0000  101.700   20.812  ?   ?    26.992   3.3364 0.000000 3.336366 
1 1 1    4   43   35 o   2.8182   1.4075  -9.9000   3.8426   0.0000   0.0000  -9.9000   3.8426  ?   ?    2.8182   1.4075 0.000000 1.407451 
1 1 1    4   43   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   44    0 o   16.102   2.8962   33.700   9.9527   33.700   9.9527   33.700   9.9527   16.102   2.8962   16.102   2.8962 -0.000000 0.000000 
1 1 1    4   44    1 o   14.089   1.6925   23.946   5.5184   35.900   7.9262   12.700   7.6876   17.238   1.9833   10.164   2.9980 7.074159 3.594658 
1 1 1    4   44    2 o   67.239   3.9596  557.492   62.591  597.400   88.526  517.600   88.509   68.257   5.5402   63.070   6.0159 5.187359 8.178296 
1 1 1    4   44    3 o   27.944   2.1048   93.787   13.787   99.800   19.519   87.800   19.477   28.611   2.9305   26.754   3.1428 1.857437 4.297122 
1 1 1    4   44    4 o   25.894   2.0212   80.500   12.261   65.000   17.312   96.100   17.368   22.921   3.2930   28.151   2.6437 -5.229965 4.222929 
1 1 1    4   44    5 o   35.009   2.3737  147.560   19.507  132.300   27.551  162.900   27.623   32.718   3.6270   36.498   3.2388 -3.780178 4.862614 
1 1 1    4   44    6 o   61.880   3.6003  469.725   52.380  518.600   74.210  421.200   73.944   63.985   4.9501   57.139   5.5504 6.846642 7.437081 
1 1 1    4   44    7 o   54.255   3.2804  359.322   41.830  372.700   59.219  346.000   59.094   54.375   4.6570   52.245   4.8452 2.130089 6.720385 
1 1 1    4   44    8 o   38.902   2.5259  182.720   23.077  194.200   32.752  171.400   32.522   39.702   3.5303   37.179   3.7558 2.522964 5.154552 
1 1 1    4   44    9 o   12.347   1.8152   18.553   5.1342   9.3000   7.2817   27.700   7.2402   8.9497   2.9608   15.081   2.0893 -6.131020 3.623685 
1 1 1    4   44   10 o   41.749   2.6727  211.196   26.211  222.300   37.074  200.100   37.061   42.326   3.7482   40.022   3.9741 2.303860 5.462772 
1 1 1    4   44   11 o   26.192   2.0365   82.561   12.497   80.300   17.716   84.800   17.630   25.552   2.9928   26.303   2.8860 -0.7504139 4.157581 
1 1 1    4   44   12 o   40.751   2.7083  201.671   25.913  181.700   36.806  221.300   36.489   37.954   4.1758   42.203   3.6988 -4.248768 5.578414 
1 1 1    4   44   13 o   6.1556   2.0224   4.3528   3.3996  -1.0000   5.0162   8.9000   4.6233   5.0604   2.2123   8.4611   2.2678 -3.400746 3.168193 
1 1 1    4   44   14 o   29.572   2.3197  105.895   16.068   92.500   23.222  118.200   22.257   27.093   3.7286   30.966   3.0848 -3.873245 4.839281 
1 1 1    4   44   15 o   14.180   2.5365   25.000   8.1812   0.0000   0.0000   25.000   8.1812  ?   ?    14.180   2.5365 0.000000 2.536502 
1 1 1    4   44   16 o   39.903   3.8374  200.400   35.712   0.0000   0.0000  200.400   35.712  ?   ?    39.903   3.8374 0.000000 3.837410 
1 1 1    4   44   17 o   47.297   4.3987  287.500   48.563   0.0000   0.0000  287.500   48.563  ?   ?    47.297   4.3987 0.000000 4.398685 
1 1 1    4   44   18 o   28.202   3.1767   99.200   20.787   0.0000   0.0000   99.200   20.787  ?   ?    28.202   3.1767 0.000000 3.176654 
1 1 1    4   44   19 o   9.8122   2.7808   12.100   6.7379   0.0000   0.0000   12.100   6.7379  ?   ?    9.8122   2.7808 0.000000 2.780822 
1 1 1    4   44   20 o   8.6804   2.4741   9.4000   5.3178   0.0000   0.0000   9.4000   5.3178  ?   ?    8.6804   2.4741 0.000000 2.474100 
1 1 1    4   44   21 o   31.439   3.3907  124.600   24.774   0.0000   0.0000  124.600   24.774  ?   ?    31.439   3.3907 0.000000 3.390730 
1 1 1    4   44   22 o   25.426   3.1090   81.100   18.277   0.0000   0.0000   81.100   18.277  ?   ?    25.426   3.1090 0.000000 3.108960 
1 1 1    4   44   23 o   71.084   7.3259  770.200  121.206   0.0000   0.0000  770.200  121.206  ?   ?    71.084   7.3259 0.000000 7.325904 
1 1 1    4   44   24 o   48.012   4.6295  307.100   51.836   0.0000   0.0000  307.100   51.836  ?   ?    48.012   4.6295 0.000000 4.629524 
1 1 1    4   44   25 o   10.932   2.7433   15.300   7.0699   0.0000   0.0000   15.300   7.0699  ?   ?    10.932   2.7433 0.000000 2.743264 
1 1 1    4   44   26 o   21.833   2.8577   60.200   14.380   0.0000   0.0000   60.200   14.380  ?   ?    21.833   2.8577 0.000000 2.857739 
1 1 1    4   44   27 o   18.220   3.0206   42.800   12.541   0.0000   0.0000   42.800   12.541  ?   ?    18.220   3.0206 0.000000 3.020633 
1 1 1    4   44   28 o   7.6392   2.7734   6.4000   6.4601   0.0000   0.0000   6.4000   6.4601  ?   ?    7.6392   2.7734 0.000000 2.773427 
1 1 1    4   44   29 o   25.083   3.3234   83.800   19.199   0.0000   0.0000   83.800   19.199  ?   ?    25.083   3.3234 0.000000 3.323359 
1 1 1    4   44   30 o   32.197   3.7319  144.100   27.847   0.0000   0.0000  144.100   27.847  ?   ?    32.197   3.7319 0.000000 3.731886 
1 1 1    4   44   31 o   20.838   3.0347   58.400   14.494   0.0000   0.0000   58.400   14.494  ?   ?    20.838   3.0347 0.000000 3.034723 
1 1 1    4   44   32 o   19.257   3.0894   50.700   13.573   0.0000   0.0000   50.700   13.573  ?   ?    19.257   3.0894 0.000000 3.089352 
1 1 1    4   44   33 o   17.393   3.0496   41.700   12.068   0.0000   0.0000   41.700   12.068  ?   ?    17.393   3.0496 0.000000 3.049645 
1 1 1    4   44   34 o   7.0490   2.7468   5.0000   6.5895   0.0000   0.0000   5.0000   6.5895  ?   ?    7.0490   2.7468 0.000000 2.746841 
1 1 1    4   44   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   45    0 o   14.304   3.0138   27.400   8.9605   27.400   8.9605   27.400   8.9605   14.304   3.0138   14.304   3.0138 0.000000 0.000000 
1 1 1    4   45    1 o   30.844   2.2249  114.601   16.096  117.800   22.758  111.400   22.768   30.969   3.1561   30.070   3.2587 0.8993511 4.536507 
1 1 1    4   45    2 o   13.304   1.7561   21.453   5.3822   15.600   7.2820   28.500   7.9904   11.147   2.7768   15.253   2.2891 -4.105441 3.598691 
1 1 1    4   45    3 o   14.336   1.8515   24.920   6.1215   37.300   8.5501   11.900   8.7683   17.532   2.1075   10.003   3.2461 7.529703 3.870175 
1 1 1    4   45    4 o   22.528   1.8831   61.001   9.9257   77.600   14.145   44.900   13.931   25.302   2.3961   18.953   3.2286 6.348787 4.020581 
1 1 1    4   45    5 o   17.258   1.8307   35.928   7.3470   37.900   10.317   33.900   10.465   17.561   2.5636   16.533   2.7790 1.027603 3.780865 
1 1 1    4   45    6 o   40.722   2.6508  201.021   25.351  192.500   35.897  209.500   35.807   39.247   3.9261   41.063   3.7337 -1.815975 5.417939 
1 1 1    4   45    7 o   11.641   1.9549   16.627   5.1833   19.500   7.1260   13.400   7.5534   12.512   2.4993   10.368   2.9464 2.144198 3.863663 
1 1 1    4   45    8 o   39.140   2.6405  185.943   24.262  217.600   34.208  153.900   34.416   41.945   3.4853   34.827   4.2746 7.118599 5.515388 
1 1 1    4   45    9 o   37.984   2.5357  174.915   22.613  158.000   31.993  191.800   31.966   35.478   3.8823   39.345   3.4764 -3.867104 5.211257 
1 1 1    4   45   10 o   6.6520   1.9352   5.3998   3.2228   19.400   6.9046   1.5000   3.6441   12.483   2.4298   5.0389   2.0177 7.444254 3.158297 
1 1 1    4   45   11 o   28.041   2.1692   94.987   14.252   92.500   20.532   97.300   19.797   27.292   3.2499   28.086   3.0332 -0.7942619 4.445494 
1 1 1    4   45   12 o   33.705   2.3442  137.545   18.541  116.000   26.128  159.400   26.315   30.365   3.7218   35.958   3.1304 -5.593096 4.863211 
1 1 1    4   45   13 o   34.838   2.2811  146.828   18.662  120.900   26.159  173.700   26.631   31.020   3.6405   37.573   3.0272 -6.553383 4.734723 
1 1 1    4   45   14 o   25.979   3.0143   83.700   18.148   0.0000   0.0000   83.700   18.148  ?   ?    25.979   3.0143 0.000000 3.014316 
1 1 1    4   45   15 o   36.051   3.6193  163.600   30.396   0.0000   0.0000  163.600   30.396  ?   ?    36.051   3.6193 0.000000 3.619333 
1 1 1    4   45   16 o   56.778   5.3521  432.400   70.910   0.0000   0.0000  432.400   70.910  ?   ?    56.778   5.3521 0.000000 5.352068 
1 1 1    4   45   17 o   22.261   2.9353   61.800   15.053   0.0000   0.0000   61.800   15.053  ?   ?    22.261   2.9353 0.000000 2.935266 
1 1 1    4   45   18 o   45.166   4.3666  264.900   45.990   0.0000   0.0000  264.900   45.990  ?   ?    45.166   4.3666 0.000000 4.366568 
1 1 1    4   45   19 o   14.939   2.7422   28.100   9.3170   0.0000   0.0000   28.100   9.3170  ?   ?    14.939   2.7422 0.000000 2.742209 
1 1 1    4   45   20 o   18.596   2.9363   43.500   12.466   0.0000   0.0000   43.500   12.466  ?   ?    18.596   2.9363 0.000000 2.936331 
1 1 1    4   45   21 o   24.571   3.0195   75.700   17.151   0.0000   0.0000   75.700   17.151  ?   ?    24.571   3.0195 0.000000 3.019517 
1 1 1    4   45   22 o   42.064   4.1408  230.600   40.597   0.0000   0.0000  230.600   40.597  ?   ?    42.064   4.1408 0.000000 4.140816 
1 1 1    4   45   23 o   15.683   2.7415   31.100   9.7832   0.0000   0.0000   31.100   9.7832  ?   ?    15.683   2.7415 0.000000 2.741521 
1 1 1    4   45   24 o   27.835   3.1782   98.600   20.515   0.0000   0.0000   98.600   20.515  ?   ?    27.835   3.1782 0.000000 3.178154 
1 1 1    4   45   25 o   8.7064   2.7746   9.4000   6.4283   0.0000   0.0000   9.4000   6.4283  ?   ?    8.7064   2.7746 0.000000 2.774617 
1 1 1    4   45   26 o   5.9201   2.4311   1.8000   5.4472   0.0000   0.0000   1.8000   5.4472  ?   ?    5.9201   2.4311 0.000000 2.431060 
1 1 1    4   45   27 o   7.1293   2.3853   6.1000   4.7227   0.0000   0.0000   6.1000   4.7227  ?   ?    7.1293   2.3853 0.000000 2.385343 
1 1 1    4   45   28 o   15.709   2.8120   32.500   10.048   0.0000   0.0000   32.500   10.048  ?   ?    15.709   2.8120 0.000000 2.812027 
1 1 1    4   45   29 o   5.4253   2.3966  -1.0000   6.0274   0.0000   0.0000  -1.0000   6.0274  ?   ?    5.4253   2.3966 0.000000 2.396554 
1 1 1    4   45   30 o   9.8562   2.9702   13.200   7.4845   0.0000   0.0000   13.200   7.4845  ?   ?    9.8562   2.9702 0.000000 2.970232 
1 1 1    4   45   31 o   21.883   3.1668   65.800   15.889   0.0000   0.0000   65.800   15.889  ?   ?    21.883   3.1668 0.000000 3.166833 
1 1 1    4   45   32 o   6.5597   2.5909   3.9000   5.9305   0.0000   0.0000   3.9000   5.9305  ?   ?    6.5597   2.5909 0.000000 2.590885 
1 1 1    4   45   33 o   21.589   3.2968   65.700   16.274   0.0000   0.0000   65.700   16.274  ?   ?    21.589   3.2968 0.000000 3.296844 
1 1 1    4   46    0 o   24.764   3.1822   77.100   17.765   77.100   17.765   77.100   17.765   24.764   3.1822   24.764   3.1822 -0.000000 0.000000 
1 1 1    4   46    1 o   11.334   2.3339   16.002   6.0382   14.000   8.7781   17.800   8.3189   10.637   3.2192   11.867   2.9745 -1.229477 4.383043 
1 1 1    4   46    2 o   10.475   2.4646   13.750   5.9944   7.7000   8.4774   19.800   8.4774   8.6952   3.1740   12.520   2.9208 -3.825324 4.313412 
1 1 1    4   46    3 o   6.2896   2.1281   4.4259   3.7593   3.7000   5.0862   5.3000   5.5811   6.4570   2.4392   7.1764   2.5818 -0.7193503 3.551821 
1 1 1    4   46    4 o   7.7718   2.4579   7.2000   5.0517   0.0000   0.0000   7.2000   5.0517  ?   ?    7.7718   2.4579 0.000000 2.457854 
1 1 1    4   46    5 o   19.970   3.0048   49.600   13.731   0.0000   0.0000   49.600   13.731  ?   ?    19.970   3.0048 0.000000 3.004826 
1 1 1    4   46    6 o   23.820   3.1041   70.400   17.045   0.0000   0.0000   70.400   17.045  ?   ?    23.820   3.1041 0.000000 3.104079 
1 1 1    4   46    7 o   27.172   3.1901   91.600   20.079   0.0000   0.0000   91.600   20.079  ?   ?    27.172   3.1901 0.000000 3.190092 
1 1 1    4   46    8 o   29.295   3.2267  106.500   21.951   0.0000   0.0000  106.500   21.951  ?   ?    29.295   3.2267 0.000000 3.226703 
1 1 1    4   46    9 o   47.162   4.4400  285.400   48.865   0.0000   0.0000  285.400   48.865  ?   ?    47.162   4.4400 0.000000 4.440028 
1 1 1    4   46   10 o   5.2632   2.1839   0.9000   4.4578   0.0000   0.0000   0.9000   4.4578  ?   ?    5.2632   2.1839 0.000000 2.183898 
1 1 1    4   46   11 o   26.767   3.0657   89.000   19.028   0.0000   0.0000   89.000   19.028  ?   ?    26.767   3.0657 0.000000 3.065652 
1 1 1    4   46   12 o   8.1850   2.8338   7.5000   6.6752   0.0000   0.0000   7.5000   6.6752  ?   ?    8.1850   2.8338 0.000000 2.833847 
1 1 1    4   46   13 o   10.874   2.8759   15.000   7.4977   0.0000   0.0000   15.000   7.4977  ?   ?    10.874   2.8759 0.000000 2.875874 
1 1 1    4   46   14 o   36.006   3.6645  164.000   30.722   0.0000   0.0000  164.000   30.722  ?   ?    36.006   3.6645 0.000000 3.664500 
1 1 1    4   46   15 o   26.446   3.1187   87.400   19.101   0.0000   0.0000   87.400   19.101  ?   ?    26.446   3.1187 0.000000 3.118726 
1 1 1    4   46   16 o   31.939   3.4108  128.400   25.326   0.0000   0.0000  128.400   25.326  ?   ?    31.939   3.4108 0.000000 3.410794 
1 1 1    4   46   17 o   15.793   2.8119   31.400   10.102   0.0000   0.0000   31.400   10.102  ?   ?    15.793   2.8119 0.000000 2.811936 
1 1 1    4   46   18 o   41.848   4.1631  226.800   40.593   0.0000   0.0000  226.800   40.593  ?   ?    41.848   4.1631 0.000000 4.163087 
1 1 1    4   46   19 o   28.003   3.2486   98.900   21.082   0.0000   0.0000   98.900   21.082  ?   ?    28.003   3.2486 0.000000 3.248561 
1 1 1    4   46   20 o   42.731   4.2552  239.100   42.365   0.0000   0.0000  239.100   42.365  ?   ?    42.731   4.2552 0.000000 4.255171 
1 1 1    4   46   21 o   32.449   3.5136  134.800   26.492   0.0000   0.0000  134.800   26.492  ?   ?    32.449   3.5136 0.000000 3.513581 
1 1 1    4   46   22 o   34.805   3.7716  157.900   30.503   0.0000   0.0000  157.900   30.503  ?   ?    34.805   3.7716 0.000000 3.771647 
1 1 1    4   46   23 o   8.3838   2.8282   8.4000   6.6395   0.0000   0.0000   8.4000   6.6395  ?   ?    8.3838   2.8282 0.000000 2.828171 
1 1 1    4   46   24 o   17.827   2.7531   40.700   11.216   0.0000   0.0000   40.700   11.216  ?   ?    17.827   2.7531 0.000000 2.753137 
1 1 1    4   46   25 o   6.1653   2.4817   2.6000   5.5444   0.0000   0.0000   2.6000   5.5444  ?   ?    6.1653   2.4817 0.000000 2.481660 
1 1 1    4   46   26 o   23.390   3.1267   72.500   16.837   0.0000   0.0000   72.500   16.837  ?   ?    23.390   3.1267 0.000000 3.126655 
1 1 1    4   46   27 o   12.881   3.1739   22.800   9.5913   0.0000   0.0000   22.800   9.5913  ?   ?    12.881   3.1739 0.000000 3.173916 
1 1 1    4   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   46   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47    8 o   15.450   2.9093   30.100   10.224   0.0000   0.0000   30.100   10.224  ?   ?    15.450   2.9093 0.000000 2.909253 
1 1 1    4   47    9 o   39.663   3.9132  200.100   36.173   0.0000   0.0000  200.100   36.173  ?   ?    39.663   3.9132 0.000000 3.913237 
1 1 1    4   47   10 o   15.919   2.7946   31.800   10.122   0.0000   0.0000   31.800   10.122  ?   ?    15.919   2.7946 0.000000 2.794577 
1 1 1    4   47   11 o   33.605   3.4873  142.100   27.270   0.0000   0.0000  142.100   27.270  ?   ?    33.605   3.4873 0.000000 3.487349 
1 1 1    4   47   12 o   39.340   3.9291  197.500   36.012   0.0000   0.0000  197.500   36.012  ?   ?    39.340   3.9291 0.000000 3.929130 
1 1 1    4   47   13 o   19.944   2.8888   49.700   13.208   0.0000   0.0000   49.700   13.208  ?   ?    19.944   2.8888 0.000000 2.888766 
1 1 1    4   47   14 o   37.342   3.7704  177.400   32.791   0.0000   0.0000  177.400   32.791  ?   ?    37.342   3.7704 0.000000 3.770356 
1 1 1    4   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   47   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   49   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   50   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   51   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   52   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   53   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    4   54    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0    1 o  160.480   8.5902  3076.12  323.396  3076.12  323.396  3076.12  323.396  160.480   8.5902  160.480   8.5902 -0.000000 0.000000 
1 1 1    5    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0    3 f   7.3584   1.8146   7.4477   2.7297   7.4477   2.7297   7.4477   2.7297   7.3584   1.8146   7.3584   1.8146 0.000000 0.000000 
1 1 1    5    0    4 o   41.604   2.6511  206.917   25.802  206.917   25.802  206.917   25.802   41.604   2.6511   41.604   2.6511 -0.000000 0.000000 
1 1 1    5    0    5 o  257.523   20.070  8131.60  1203.44  8131.60  1203.44  8131.60  1203.44  257.523   20.070  257.523   20.070 0.000000 0.000000 
1 1 1    5    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0    7 o  207.148   16.043  5213.70  773.901  5213.70  773.901  5213.70  773.901  207.148   16.043  207.148   16.043 0.000000 0.000000 
1 1 1    5    0    8 o  156.911   12.159  2974.60  444.281  2974.60  444.281  2974.60  444.281  156.911   12.159  156.911   12.159 -0.000000 0.000000 
1 1 1    5    0    9 o  306.561   23.829 11479.90  1701.00 11479.90  1701.00 11479.90  1701.00  306.561   23.829  306.561   23.829 0.000000 0.000000 
1 1 1    5    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   11 o  240.941   18.547  7026.40  1040.86  7026.40  1040.86  7026.40  1040.86  240.941   18.547  240.941   18.547 -0.000000 0.000000 
1 1 1    5    0   12 o   32.673   3.3065  129.900   24.912  129.900   24.912  129.900   24.912   32.673   3.3065   32.673   3.3065 0.000000 0.000000 
1 1 1    5    0   13 o  186.227   14.364  4186.40  622.999  4186.40  622.999  4186.40  622.999  186.227   14.364  186.227   14.364 -0.000000 0.000000 
1 1 1    5    0   14 o  208.660   16.075  5263.30  781.260  5263.30  781.260  5263.30  781.260  208.660   16.075  208.660   16.075 0.000000 0.000000 
1 1 1    5    0   15 o   37.040   3.5280  166.400   30.214  166.400   30.214  166.400   30.214   37.040   3.5280   37.040   3.5280 0.000000 0.000000 
1 1 1    5    0   16 o  342.417   26.618 14373.60  2122.32 14373.60  2122.32 14373.60  2122.32  342.417   26.618  342.417   26.618 0.000000 0.000000 
1 1 1    5    0   17 o   25.524   2.9145   79.900   16.974   79.900   16.974   79.900   16.974   25.524   2.9145   25.524   2.9145 0.000000 0.000000 
1 1 1    5    0   18 o  180.287   13.950  3935.90  585.715  3935.90  585.715  3935.90  585.715  180.287   13.950  180.287   13.950 0.000000 0.000000 
1 1 1    5    0   19 o   51.171   4.4207  316.300   52.499  316.300   52.499  316.300   52.499   51.171   4.4207   51.171   4.4207 -0.000000 0.000000 
1 1 1    5    0   20 o  160.154   12.443  3108.50  464.051  3108.50  464.051  3108.50  464.051  160.154   12.443  160.154   12.443 0.000000 0.000000 
1 1 1    5    0   21 o   11.210   2.7721   17.300   6.3517   17.300   6.3517   17.300   6.3517   11.210   2.7721   11.210   2.7721 -0.000000 0.000000 
1 1 1    5    0   22 o  196.098   10.619  4615.82  488.406  4615.82  488.406  4615.82  488.406  196.098   10.619  196.098   10.619 0.000000 0.000000 
1 1 1    5    0   23 o  230.596   12.547  6410.09  678.610  6410.09  678.610  6410.09  678.610  230.596   12.547  230.596   12.547 0.000000 0.000000 
1 1 1    5    0   24 o   44.324   2.7617  234.800   28.649  234.800   28.649  234.800   28.649   44.324   2.7617   44.324   2.7617 0.000000 0.000000 
1 1 1    5    0   25 o   90.174   4.7592  969.964  100.694  969.964  100.694  969.964  100.694   90.174   4.7592   90.174   4.7592 -0.000000 0.000000 
1 1 1    5    0   26 o   65.139   3.7337  506.534   56.998  506.534   56.998  506.534   56.998   65.139   3.7337   65.139   3.7337 0.000000 0.000000 
1 1 1    5    0   27 o   56.633   3.2998  382.928   43.785  382.928   43.785  382.928   43.785   56.633   3.2998   56.633   3.2998 -0.000000 0.000000 
1 1 1    5    0   28 o  108.617   5.3187  1407.21  135.669  1407.21  135.669  1407.21  135.669  108.617   5.3187  108.617   5.3187 0.000000 0.000000 
1 1 1    5    0   29 o  125.533   6.7994  1887.43  200.201  1887.43  200.201  1887.43  200.201  125.533   6.7994  125.533   6.7994 0.000000 0.000000 
1 1 1    5    0   30 o  160.082   8.6640  3084.52  325.315  3084.52  325.315  3084.52  325.315  160.082   8.6640  160.082   8.6640 0.000000 0.000000 
1 1 1    5    0   31 o   97.522   5.1403  1137.40  117.623  1137.40  117.623  1137.40  117.623   97.522   5.1403   97.522   5.1403 -0.000000 0.000000 
1 1 1    5    0   32 o  149.204   8.0043  2687.28  280.159  2687.28  280.159  2687.28  280.159  149.204   8.0043  149.204   8.0043 0.000000 0.000000 
1 1 1    5    0   33 o   85.793   4.8121  882.631   96.786  882.631   96.786  882.631   96.786   85.793   4.8121   85.793   4.8121 -0.000000 0.000000 
1 1 1    5    0   34 o   63.373   3.6806  481.113   54.655  481.113   54.655  481.113   54.655   63.373   3.6806   63.373   3.6806 0.000000 0.000000 
1 1 1    5    0   35 o   41.634   2.6436  207.691   25.749  207.691   25.749  207.691   25.749   41.634   2.6436   41.634   2.6436 0.000000 0.000000 
1 1 1    5    0   36 o  172.291   9.5348  3692.54  385.199  3692.54  385.199  3692.54  385.199  172.291   9.5348  172.291   9.5348 0.000000 0.000000 
1 1 1    5    0   37 o   72.704   4.0698  635.643   69.370  635.643   69.370  635.643   69.370   72.704   4.0698   72.704   4.0698 0.000000 0.000000 
1 1 1    5    0   38 o   28.066   2.1059   94.816   13.776   94.816   13.776   94.816   13.776   28.066   2.1059   28.066   2.1059 -0.000000 0.000000 
1 1 1    5    0   39 o   9.5108   1.9725   11.982   3.9082   11.982   3.9082   11.982   3.9082   9.5108   1.9725   9.5108   1.9725 0.000000 0.000000 
1 1 1    5    0   40 o   35.990   2.3770  155.619   19.999  155.619   19.999  155.619   19.999   35.990   2.3770   35.990   2.3770 -0.000000 0.000000 
1 1 1    5    0   41 o   30.501   2.2001  112.058   15.657  112.058   15.657  112.058   15.657   30.501   2.2001   30.501   2.2001 0.000000 0.000000 
1 1 1    5    0   42 o   1.5688   1.0769  -0.9000   1.2887  -0.9000   1.2887  -0.9000   1.2887   1.5688   1.0769   1.5688   1.0769 0.000000 0.000000 
1 1 1    5    0   43 o   43.532   2.6831  228.646   27.340  228.646   27.340  228.646   27.340   43.532   2.6831   43.532   2.6831 0.000000 0.000000 
1 1 1    5    0   44 o   4.0788   2.0838   2.8975   2.5340   2.8975   2.5340   2.8975   2.5340   4.0788   2.0838   4.0788   2.0838 -0.000000 0.000000 
1 1 1    5    0   45 o   20.760   1.8395   52.393   8.8544   52.393   8.8544   52.393   8.8544   20.760   1.8395   20.760   1.8395 0.000000 0.000000 
1 1 1    5    0   46 o   4.9933   2.3035   4.3296   2.9883   4.3296   2.9883   4.3296   2.9883   4.9933   2.3035   4.9933   2.3035 0.000000 0.000000 
1 1 1    5    0   47 o   7.7657   2.3023   8.8264   3.6724   8.8264   3.6724   8.8264   3.6724   7.7657   2.3023   7.7657   2.3023 0.000000 0.000000 
1 1 1    5    0   48 o   22.978   2.9148   66.500   15.122   66.500   15.122   66.500   15.122   22.978   2.9148   22.978   2.9148 -0.000000 0.000000 
1 1 1    5    0   49 o   64.002   5.8694  543.100   86.990  543.100   86.990  543.100   86.990   64.002   5.8694   64.002   5.8694 0.000000 0.000000 
1 1 1    5    0   50 o   6.7857   2.9068   7.9000   4.7612   7.9000   4.7612   7.9000   4.7612   6.7857   2.9068   6.7857   2.9068 0.000000 0.000000 
1 1 1    5    0   51 f   5.8871   3.0777   6.2000   5.6140   6.2000   5.6140   6.2000   5.6140   5.8871   3.0777   5.8871   3.0777 -0.000000 0.000000 
1 1 1    5    0   52 o   3.2033   2.1402  -1.4000   4.4486  -1.4000   4.4486  -1.4000   4.4486   3.2033   2.1402   3.2033   2.1402 0.000000 0.000000 
1 1 1    5    0   53 o   4.2878   2.6727   1.6000   5.4984   1.6000   5.4984   1.6000   5.4984   4.2878   2.6727   4.2878   2.6727 0.000000 0.000000 
1 1 1    5    0   54 o   15.470   3.4450   33.600   10.996   33.600   10.996   33.600   10.996   15.470   3.4450   15.470   3.4450 0.000000 0.000000 
1 1 1    5    0   55 o   10.491   3.4732   17.600   7.6506   17.600   7.6506   17.600   7.6506   10.491   3.4732   10.491   3.4732 0.000000 0.000000 
1 1 1    5    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    0   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1    0 o  118.433   9.2476  1692.00  254.994  1692.00  254.994  1692.00  254.994  118.433   9.2476  118.433   9.2476 -0.000000 0.000000 
1 1 1    5    1    1 o  220.169   16.947  5896.50  874.318  5896.50  874.318   0.0000   0.0000  220.169   16.947  ?   ?  0.000000 16.94735 
1 1 1    5    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1    3 o  188.439   9.8971  4243.41  438.852  4053.10  620.163  4434.30  621.099  182.903   14.477  191.569   13.823 -8.666306 20.01665 
1 1 1    5    1    4 o  164.464   8.5451  3225.45  330.715  2896.70  467.456  3554.90  467.947  154.835   12.903  171.989   11.590 -17.15344 17.34362 
1 1 1    5    1    5 o  260.091   20.332  8372.80  1238.81  8372.80  1238.81   0.0000   0.0000  260.091   20.332  ?   ?  0.000000 20.33237 
1 1 1    5    1    6 o   65.872   3.7276  514.648   57.744  508.000   81.654  521.300   81.672   65.285   5.3434   66.147   5.2725 -0.8622894 7.506793 
1 1 1    5    1    7 o  285.118   22.271 10071.20  1487.56 10071.20  1487.56   0.0000   0.0000  285.118   22.271  ?   ?  0.000000 22.27148 
1 1 1    5    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1    9 o  375.123   29.589 17565.50  2599.71 17565.50  2599.71   0.0000   0.0000  375.123   29.589  ?   ?  0.000000 29.58895 
1 1 1    5    1   10 o  132.395   10.115  2091.90  313.838  2091.90  313.838   0.0000   0.0000  132.395   10.115  ?   ?  0.000000 10.11512 
1 1 1    5    1   11 o  390.606   30.488 18857.60  2789.78 18857.60  2789.78   0.0000   0.0000  390.606   30.488  ?   ?  0.000000 30.48763 
1 1 1    5    1   12 o  289.517   22.124 10167.00  1501.07 10167.00  1501.07   0.0000   0.0000  289.517   22.124  ?   ?  0.000000 22.12414 
1 1 1    5    1   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   15 o   36.197   2.3691  155.401   20.138  155.800   28.451  155.000   28.508   36.158   3.3710   36.063   3.3874 0.9547806E-01 4.778921 
1 1 1    5    1   16 f  209.368   15.956  5282.40  782.922  5282.40  782.922   0.0000   0.0000  209.368   15.956  ?   ?  0.000000 15.95615 
1 1 1    5    1   17 o  190.162   10.181  4312.27  455.499  4348.70  643.119  4275.60  645.233  190.021   14.441  188.362   14.621 1.659073 20.55018 
1 1 1    5    1   18 o  267.295   20.712  8780.00  1297.08  8780.00  1297.08   0.0000   0.0000  267.295   20.712  ?   ?  0.000000 20.71186 
1 1 1    5    1   19 o  253.802   19.715  7931.00  1172.29  7931.00  1172.29   0.0000   0.0000  253.802   19.715  ?   ?  0.000000 19.71516 
1 1 1    5    1   20 o  168.826   9.1927  3407.07  365.094  3516.50  515.457  3296.90  517.190  170.527   12.896  164.931   13.395 5.595993 18.59427 
1 1 1    5    1   21 o  275.951   15.223  9286.11  988.112  9599.50  1395.28  8970.80  1399.53  276.253   21.560  266.312   22.465 9.940918 31.13673 
1 1 1    5    1   22 o  270.674   14.571  8933.99  927.917  8608.00  1311.94  9260.30  1312.60  260.892   21.487  271.332   20.641 -10.43927 29.79514 
1 1 1    5    1   23 o  100.827   5.4593  1209.38  129.496  1153.80  183.095  1265.00  183.175   98.052   7.9770  102.771   7.6020 -4.718582 11.01920 
1 1 1    5    1   24 o  342.599   18.709 14713.59  1507.80 13165.10  2130.19 16268.40  2134.52  311.257   29.328  351.136   25.927 -39.87888 39.14514 
1 1 1    5    1   25 o   88.294   4.8579  927.054  100.894  923.800  142.771  930.300  142.600   87.813   6.9419   88.129   6.9076 -0.3163681 9.793127 
1 1 1    5    1   26 o   77.215   4.1867  708.306   76.053  620.400  107.498  796.400  107.613   71.937   6.3949   81.700   5.6120 -9.763214 8.508247 
1 1 1    5    1   27 o  231.778   12.479  6557.62  680.453  6289.60  961.976  6826.00  962.637  222.720   18.458  232.750   17.646 -10.02983 25.53578 
1 1 1    5    1   28 o   55.235   3.0873  362.090   40.106  287.300   56.677  437.100   56.761   48.947   4.9727   60.609   3.9882 -11.66137 6.374451 
1 1 1    5    1   29 o  177.566   9.6362  3819.08  402.532  3460.70  569.291  4177.40  569.240  166.279   14.648  183.738   13.208 -17.45818 19.72392 
1 1 1    5    1   30 o  110.857   5.9567  1469.99  155.357  1375.80  219.577  1564.40  219.840  106.414   8.8177  113.713   8.2432 -7.299004 12.07074 
1 1 1    5    1   31 o  103.967   5.5415  1293.66  135.555  1206.70  191.500  1381.00  191.908   99.595   8.2161  106.786   7.6615 -7.191322 11.23397 
1 1 1    5    1   32 o   47.179   2.8526  264.693   31.631  258.400   44.709  271.000   44.756   46.431   4.1206   47.575   4.0216 -1.143585 5.757807 
1 1 1    5    1   33 o   23.500   1.8833   65.748   10.363   68.400   14.660   63.100   14.650   23.879   2.6443   22.906   2.7645 0.9729767 3.825530 
1 1 1    5    1   34 o   26.948   2.0116   86.450   12.708   86.100   17.969   86.800   17.975   26.776   2.8877   26.888   2.8756 -0.1120472 4.075318 
1 1 1    5    1   35 o   15.278   1.6499   27.940   5.8578   29.500   8.3109   26.400   8.2578   15.604   2.3267   14.721   2.4625 0.8827057 3.387879 
1 1 1    5    1   36 o   23.827   1.9043   67.697   10.625   68.600   15.051   66.800   15.001   23.866   2.7193   23.541   2.7503 0.3245029 3.867625 
1 1 1    5    1   37 o   76.400   4.3487  705.871   78.129  728.500  110.441  683.200  110.542   76.728   6.1472   74.164   6.3740 2.564369 8.855260 
1 1 1    5    1   38 o   35.272   2.3474  148.553   19.440  149.800   27.466  147.300   27.520   35.221   3.3424   34.914   3.3802 0.3064384 4.753683 
1 1 1    5    1   39 o   97.144   5.5136  1165.17  125.955  1214.80  178.097  1115.50  178.158   97.084   7.8354   92.613   8.2323 4.470398 11.36508 
1 1 1    5    1   40 o   37.362   2.3467  166.943   20.599  195.200   29.187  138.900   29.076   40.232   3.0960   33.730   3.7119 6.501381 4.833601 
1 1 1    5    1   41 o   13.375   1.5584   21.508   4.8297   26.700   6.9284   16.600   6.7360   14.843   2.0299   11.564   2.5366 3.279481 3.248871 
1 1 1    5    1   42 o   38.676   2.4767  179.961   22.500  196.800   31.857  163.200   31.784   40.133   3.3934   36.383   3.7534 3.750370 5.059966 
1 1 1    5    1   43 o   42.430   2.6031  217.626   25.955  243.000   36.796  192.500   36.616   44.417   3.5376   39.273   4.0043 5.144299 5.343093 
1 1 1    5    1   44 o   40.728   2.4434  200.534   23.391  237.600   33.246  164.200   32.916   43.977   3.2240   36.175   3.9158 7.801411 5.072219 
1 1 1    5    1   45 o   15.922   1.5943   30.520   5.9137   40.200   8.4671   21.300   8.2630   18.206   2.0026   13.006   2.7751 5.200686 3.422230 
1 1 1    5    1   46 o   11.216   1.6894   15.350   4.3356   16.000   6.4049   14.800   5.8904   11.290   2.4710   10.871   2.3622 0.4198780 3.418446 
1 1 1    5    1   47 o   22.924   1.8625   63.399   9.9946   72.000   14.263   55.100   14.010   24.231   2.5301   21.038   2.8968 3.192293 3.846138 
1 1 1    5    1   48 f   63.632   6.0798  568.900   90.242  568.900   90.242   0.0000   0.0000   63.632   6.0798  ?   ?  0.000000 6.079832 
1 1 1    5    1   49 o   15.800   2.6363   31.400   9.4890   31.400   9.4890   0.0000   0.0000   15.800   2.6363  ?   ?  0.000000 2.636307 
1 1 1    5    1   50 o   21.048   2.7571   55.800   13.374   55.800   13.374   0.0000   0.0000   21.048   2.7571  ?   ?  0.000000 2.757059 
1 1 1    5    1   51 o   39.085   3.9728  204.500   36.157  204.500   36.157   0.0000   0.0000   39.085   3.9728  ?   ?  0.000000 3.972767 
1 1 1    5    1   52 o   36.907   3.8384  182.900   32.963  182.900   32.963   0.0000   0.0000   36.907   3.8384  ?   ?  0.000000 3.838449 
1 1 1    5    1   53 f   16.652   2.7209   35.800   10.329   35.800   10.329   0.0000   0.0000   16.652   2.7209  ?   ?  0.000000 2.720886 
1 1 1    5    1   54 o   9.9528   2.6637   13.100   6.3838   13.100   6.3838   0.0000   0.0000   9.9528   2.6637  ?   ?  0.000000 2.663693 
1 1 1    5    1   55 o   11.640   2.5867   18.200   6.9253   18.200   6.9253   0.0000   0.0000   11.640   2.5867  ?   ?  0.000000 2.586702 
1 1 1    5    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    1   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2    0 o  181.530   14.043  3993.60  593.660  3993.60  593.660  3993.60  593.660  181.530   14.043  181.530   14.043 0.000000 0.000000 
1 1 1    5    2    1 f   62.861   3.5399  468.565   52.331  501.000   74.048  436.200   73.968   64.889   4.8681   60.482   5.2305 4.406651 7.145373 
1 1 1    5    2    2 o  166.841   8.8972  3320.58  349.258  3289.30  493.800  3351.90  494.052  165.161   12.760  166.767   12.640 -1.606018 17.96085 
1 1 1    5    2    3 o  117.739   6.3243  1647.82  175.185  1625.60  247.588  1670.10  247.911  116.524   9.0696  118.138   8.9533 -1.613838 12.74436 
1 1 1    5    2    4 o  136.999   7.3936  2234.76  238.301  2296.10  336.842  2173.30  337.174  138.314   10.389  134.475   10.707 3.838898 14.91893 
1 1 1    5    2    5 o  216.260   16.690  5709.60  845.694  5709.60  845.694   0.0000   0.0000  216.260   16.690  ?   ?  0.000000 16.68966 
1 1 1    5    2    6 o  111.027   6.0221  1464.82  157.295  1490.30  222.346  1439.30  222.551  111.640   8.4981  109.675   8.6638 1.965088 12.13587 
1 1 1    5    2    7 o  243.282   18.785  7237.20  1070.80  7237.20  1070.80   0.0000   0.0000  243.282   18.785  ?   ?  0.000000 18.78509 
1 1 1    5    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   11 o  339.663   26.182 14110.60  2083.79 14110.60  2083.79   0.0000   0.0000  339.663   26.182  ?   ?  0.000000 26.18223 
1 1 1    5    2   12 f  199.262   11.009  4727.50  515.978  5176.00  728.856  4276.90  730.553  207.820   14.952  188.469   16.584 19.35083 22.32939 
1 1 1    5    2   13 o  384.298   30.014 18268.50  2702.08 18268.50  2702.08   0.0000   0.0000  384.298   30.014  ?   ?  0.000000 30.01420 
1 1 1    5    2   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   15 o  312.681   24.100 11967.70  1765.72 11967.70  1765.72   0.0000   0.0000  312.681   24.100  ?   ?  0.000000 24.10014 
1 1 1    5    2   16 o   57.950   3.3222  398.060   45.272  389.000   63.884  407.200   64.164   57.162   4.7766   58.502   4.6841 -1.339863 6.690036 
1 1 1    5    2   17 o  247.136   13.463  7324.41  782.735  7626.90  1105.39  7020.20  1108.53  250.382   18.834  239.808   19.752 10.57349 27.29178 
1 1 1    5    2   18 o  155.598   8.5068  2884.24  311.375  3023.30  439.736  2744.40  440.968  158.672   11.821  150.985   12.480 7.686707 17.18993 
1 1 1    5    2   19 o  347.330   27.915 15399.40  2270.17 15399.40  2270.17   0.0000   0.0000  347.330   27.915  ?   ?  0.000000 27.91501 
1 1 1    5    2   20 o  217.367   11.766  5682.53  601.665  5787.80  849.567  5576.60  852.204  217.399   16.676  213.192   17.071 4.207672 23.86490 
1 1 1    5    2   21 o  222.952   12.074  5997.02  633.282  6417.30  895.409  5576.40  895.783  228.462   16.714  212.190   18.049 16.27219 24.59920 
1 1 1    5    2   22 o   84.509   4.7097  848.494   93.612  895.800  132.325  801.100  132.449   86.601   6.5186   81.806   6.9214 4.795273 9.507772 
1 1 1    5    2   23 o   53.131   3.1072  334.937   38.814  324.300   54.857  345.600   54.925   52.134   4.5002   53.847   4.3569 -1.713787 6.263747 
1 1 1    5    2   24 o  176.409   9.4835  3740.70  393.599  3705.50  556.667  3775.90  556.600  173.932   13.664  175.650   13.523 -1.717499 19.22432 
1 1 1    5    2   25 o  200.310   10.798  4848.95  508.875  4767.90  719.676  4930.00  719.640  196.164   15.667  199.656   15.383 -3.491837 21.95649 
1 1 1    5    2   26 f   31.026   2.1651  114.304   15.763  103.300   22.296  125.300   22.288   29.369   3.2705   32.418   2.9437 -3.048788 4.400127 
1 1 1    5    2   27 o   48.764   2.9189  282.247   33.457  263.900   47.312  300.600   47.319   46.994   4.3116   50.216   4.0244 -3.222198 5.897918 
1 1 1    5    2   28 o  224.914   12.041  6179.73  637.185  5791.20  900.750  6568.90  901.481  213.324   18.051  228.322   16.839 -14.99742 24.68582 
1 1 1    5    2   29 o  200.702   10.868  4909.94  513.134  4806.90  725.478  5013.10  725.885  195.165   15.880  199.611   15.522 -4.446320 22.20586 
1 1 1    5    2   30 o  140.951   7.5432  2391.18  250.153  2193.60  353.661  2589.00  353.878  133.393   11.335  145.475   10.369 -12.08223 15.36263 
1 1 1    5    2   31 o   19.335   1.7832   44.565   8.0501   34.400   11.393   54.700   11.376   16.794   2.9822   21.383   2.2885 -4.588776 3.759101 
1 1 1    5    2   32 o   77.036   4.3125  708.605   78.134  720.700  110.474  696.500  110.523   77.265   6.1047   75.918   6.2198 1.347488 8.715155 
1 1 1    5    2   33 o   64.464   3.6940  495.957   55.996  508.100   79.167  483.800   79.214   64.913   5.2086   63.296   5.3500 1.617424 7.466742 
1 1 1    5    2   34 o   76.253   4.1715  696.724   74.828  645.200  105.695  748.500  105.953   72.719   6.2149   78.536   5.7533 -5.816917 8.469044 
1 1 1    5    2   35 o   18.257   1.7484   39.811   7.4454   35.600   10.543   44.000   10.516   17.109   2.6992   19.114   2.3815 -2.005693 3.599605 
1 1 1    5    2   36 o   19.260   1.7678   44.301   7.9502   43.900   11.261   44.700   11.225   19.051   2.5687   19.233   2.5332 -0.1818485 3.607732 
1 1 1    5    2   37 o   65.242   3.7551  512.147   57.607  517.100   81.497  507.200   81.442   64.936   5.3629   64.284   5.4156 0.6518784 7.621573 
1 1 1    5    2   38 o   45.267   2.7363  245.091   29.111  277.300   41.207  213.000   41.131   47.923   3.6693   41.807   4.2244 6.116692 5.595438 
1 1 1    5    2   39 o   44.080   2.6910  232.600   27.876  264.500   39.453  200.800   39.391   46.773   3.5998   40.544   4.1741 6.228699 5.511937 
1 1 1    5    2   40 o   28.829   2.0502   99.295   13.866  106.800   19.681   91.900   19.537   29.749   2.8360   27.526   3.0575 2.223227 4.170232 
1 1 1    5    2   41 o   35.853   2.3799  154.149   20.034  147.100   28.330  161.200   28.336   34.709   3.5046   36.404   3.3332 -1.695675 4.836621 
1 1 1    5    2   42 o   46.756   2.8671  264.275   31.503  281.400   44.584  247.200   44.519   47.743   3.9913   44.582   4.2815 3.160545 5.853323 
1 1 1    5    2   43 o   26.305   1.9843   83.117   12.235   90.200   17.343   76.100   17.262   27.208   2.7366   24.890   2.9973 2.317894 4.058650 
1 1 1    5    2   44 o   31.331   2.1532  118.277   15.833  134.600   22.442  102.100   22.341   33.174   2.8938   28.681   3.3626 4.492846 4.436377 
1 1 1    5    2   45 o   12.761   1.6054   19.715   4.7305   23.400   6.8208   16.300   6.5663   13.796   2.1651   11.398   2.5077 2.397459 3.313011 
1 1 1    5    2   46 o   15.071   1.6934   27.462   5.9218   31.200   8.4186   23.800   8.3316   15.928   2.3053   13.782   2.6563 2.145918 3.517134 
1 1 1    5    2   47 o   27.951   2.0849   94.524   13.662  109.700   19.338   79.400   19.304   29.856   2.7747   25.129   3.3357 4.727625 4.338868 
1 1 1    5    2   48 f   25.316   1.8871   77.428   11.200   96.200   16.002   59.400   15.681   28.029   2.4420   21.702   3.1521 6.327288 3.987371 
1 1 1    5    2   49 f   16.305   2.6328   33.400   9.7912   33.400   9.7912   0.0000   0.0000   16.305   2.6328  ?   ?  0.000000 2.632773 
1 1 1    5    2   50 o   31.861   3.3714  130.300   24.979  130.300   24.979   0.0000   0.0000   31.861   3.3714  ?   ?  0.000000 3.371406 
1 1 1    5    2   51 o   8.4590   2.3316   9.1000   4.8072   9.1000   4.8072   0.0000   0.0000   8.4590   2.3316  ?   ?  0.000000 2.331621 
1 1 1    5    2   52 o   37.091   3.8359  184.700   33.111  184.700   33.111   0.0000   0.0000   37.091   3.8359  ?   ?  0.000000 3.835939 
1 1 1    5    2   53 o   17.425   2.7025   39.100   10.760   39.100   10.760   0.0000   0.0000   17.425   2.7025  ?   ?  0.000000 2.702470 
1 1 1    5    2   54 o   19.742   2.8234   51.000   12.787   51.000   12.787   0.0000   0.0000   19.742   2.8234  ?   ?  0.000000 2.823393 
1 1 1    5    2   55 f   9.4948   2.5093   12.100   5.7110   12.100   5.7110   0.0000   0.0000   9.4948   2.5093  ?   ?  0.000000 2.509338 
1 1 1    5    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    2   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3    0 f  142.271   11.061  2446.60  366.448  2446.60  366.448  2446.60  366.448  142.271   11.061  142.271   11.061 0.000000 0.000000 
1 1 1    5    3    1 o   94.238   5.0894  1054.22  112.836  1006.70  159.446  1101.90  159.701   91.799   7.4189   96.115   7.0865 -4.315666 10.25956 
1 1 1    5    3    2 o  220.958   12.341  5868.36  641.327  6663.80  906.114  5069.90  907.836  233.911   16.511  202.764   19.189 31.14621 25.31444 
1 1 1    5    3    3 o  229.423   12.240  6326.16  660.693  6229.30  933.211  6423.50  935.514  225.523   17.665  229.142   17.420 -3.618927 24.80940 
1 1 1    5    3    4 o  116.762   6.2286  1620.65  171.111  1544.00  241.836  1697.50  242.141  113.516   9.0984  119.136   8.6666 -5.620140 12.56550 
1 1 1    5    3    5 o  103.228   5.5490  1265.62  134.766  1211.80  190.448  1319.60  190.728  100.664   8.0801  105.126   7.7376 -4.462196 11.18739 
1 1 1    5    3    6 o   82.780   4.5452  813.027   88.506  794.100  125.091  832.000  125.242   81.591   6.5478   83.547   6.3969 -1.955383 9.153930 
1 1 1    5    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3    8 o  270.079   20.778  8901.10  1314.95  8901.10  1314.95   0.0000   0.0000  270.079   20.778  ?   ?  0.000000 20.77798 
1 1 1    5    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   11 o  231.971   17.628  6475.80  958.391  6475.80  958.391   0.0000   0.0000  231.971   17.628  ?   ?  0.000000 17.62825 
1 1 1    5    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   13 o  154.264   8.2837  2826.92  300.651  2855.10  424.281  2798.50  426.093  154.568   11.711  152.992   11.888 1.576828 16.68756 
1 1 1    5    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   15 f  291.795   16.250 10228.27  1115.26 11329.00  1575.59  9123.00  1578.83  305.009   22.024  272.407   24.817 32.60257 33.18044 
1 1 1    5    3   16 o  325.004   25.234 13026.80  1921.43 13026.80  1921.43   0.0000   0.0000  325.004   25.234  ?   ?  0.000000 25.23432 
1 1 1    5    3   17 o  348.270   27.440 15182.70  2238.37 15182.70  2238.37   0.0000   0.0000  348.270   27.440  ?   ?  0.000000 27.44012 
1 1 1    5    3   18 o  113.078   6.1035  1518.88  162.370  1514.10  229.146  1523.70  230.110  112.551   8.6891  112.908   8.6977 -0.3571243 12.29438 
1 1 1    5    3   19 o  196.793   10.866  4639.95  502.987  5007.60  710.509  4270.60  712.156  203.190   14.912  187.073   16.284 16.11641 22.08037 
1 1 1    5    3   20 o   15.391   1.6657   28.305   5.9572   30.600   8.4154   26.000   8.4341   15.929   2.3042   14.625   2.5341 1.304556 3.425030 
1 1 1    5    3   21 o  174.411   9.3564  3643.22  383.934  3666.20  542.724  3620.20  543.205  173.708   13.333  172.571   13.436 1.136642 18.92860 
1 1 1    5    3   22 o   40.286   2.5059  192.531   23.720  177.500   33.524  207.600   33.566   38.556   3.7287   41.756   3.4347 -3.200378 5.069564 
1 1 1    5    3   23 o   84.544   4.5960  849.238   91.409  804.400  129.182  894.200  129.361   81.976   6.7330   86.516   6.3770 -4.540733 9.273596 
1 1 1    5    3   24 o  235.400   12.622  6737.60  699.026  6177.30  988.264  7298.60  988.881  221.293   19.099  241.919   17.427 -20.62637 25.85531 
1 1 1    5    3   25 o  122.226   6.5721  1782.52  188.987  1608.80  267.241  1956.30  267.295  115.317   9.9103  127.514   8.9335 -12.19629 13.34250 
1 1 1    5    3   26 o   94.013   5.0380  1051.46  111.435  944.800  157.526  1158.30  157.659   88.661   7.5975   98.388   6.8283 -9.726593 10.21507 
1 1 1    5    3   27 o   76.353   4.1718  692.781   74.930  621.200  105.917  764.500  106.018   71.978   6.2950   80.013   5.6475 -8.035759 8.457006 
1 1 1    5    3   28 o   32.845   2.2277  128.097   17.176  110.300   24.288  145.900   24.293   30.330   3.4528   34.994   2.9678 -4.663658 4.552972 
1 1 1    5    3   29 o  120.656   6.5022  1742.21  184.572  1691.80  260.927  1792.70  261.121  118.019   9.4418  121.606   9.1606 -3.586746 13.15543 
1 1 1    5    3   30 o  143.342   7.7116  2475.63  260.064  2377.30  367.660  2574.10  367.912  138.869   11.310  144.779   10.840 -5.909805 15.66626 
1 1 1    5    3   31 o   83.785   4.6345  837.843   91.336  811.100  129.151  864.600  129.186   81.943   6.7342   84.680   6.5105 -2.737053 9.366734 
1 1 1    5    3   32 o  128.770   7.0278  2006.99  212.889  1971.10  301.023  2042.90  301.117  125.918   10.212  128.325   10.017 -2.406708 14.30430 
1 1 1    5    3   33 o   17.243   1.7242   35.513   6.9264   33.800   9.8336   37.200   9.7578   16.695   2.5773   17.558   2.4176 -0.8627338 3.533765 
1 1 1    5    3   34 o  102.318   5.6500  1267.24  135.981  1314.60  192.334  1219.90  192.278  102.987   7.9709   98.990   8.3025 3.996666 11.50942 
1 1 1    5    3   35 o  105.147   5.8425  1346.35  144.492  1340.30  204.350  1352.40  204.334  103.218   8.4584  103.717   8.4157 -0.4983673 11.93181 
1 1 1    5    3   36 o   53.364   3.1764  340.812   39.845  330.800   56.384  350.800   56.316   52.180   4.6240   53.793   4.4740 -1.612919 6.434131 
1 1 1    5    3   37 o   86.825   4.6386  914.163   94.759  1038.40  134.192  790.600  133.827   91.595   6.2415   79.244   7.2315 12.35156 9.552487 
1 1 1    5    3   38 o   21.043   1.7977   52.877   8.8474   58.700   12.537   47.100   12.488   22.081   2.4454   19.692   2.7615 2.389828 3.688598 
1 1 1    5    3   39 o   33.997   2.2873  138.087   18.255  142.500   25.857  133.700   25.777   34.342   3.2263   33.231   3.3298 1.111202 4.636447 
1 1 1    5    3   40 o   58.821   3.4351  417.877   47.506  445.600   67.211  390.200   67.156   60.134   4.7724   56.068   5.1292 4.066704 7.006045 
1 1 1    5    3   41 o   29.780   2.1035  106.163   14.697  120.100   20.813   92.300   20.757   31.518   2.8265   27.483   3.2621 4.034346 4.316317 
1 1 1    5    3   42 o   26.301   1.9746   82.921   12.174   92.100   17.245   73.800   17.189   27.559   2.6839   24.549   3.0294 3.010212 4.047317 
1 1 1    5    3   43 o   25.518   1.9813   78.249   11.845   78.700   16.775   77.800   16.727   25.360   2.8507   25.210   2.8606 0.1503029 4.038527 
1 1 1    5    3   44 o   8.2900   1.6995   8.4895   3.2151   10.800   4.6093   6.3000   4.4869   9.3089   2.1415   7.2946   2.3174 2.014301 3.155342 
1 1 1    5    3   45 o   32.484   2.3042  127.756   17.560  140.100   24.777  115.300   24.889   33.671   3.1530   30.343   3.5402 3.327747 4.740722 
1 1 1    5    3   46 o   58.787   3.5614  430.841   49.206  428.500   69.456  433.200   69.718   56.941   5.2239   57.268   5.2126 -0.3263245 7.379706 
1 1 1    5    3   47 o   23.183   1.8627   64.843   10.111   78.200   14.358   51.700   14.242   25.293   2.4339   20.303   3.0662 4.990559 3.914809 
1 1 1    5    3   48 o   14.310   1.7093   24.868   5.6613   27.100   7.9753   22.600   8.0377   14.772   2.3662   13.387   2.6365 1.385251 3.542567 
1 1 1    5    3   49 o   19.075   2.6453   45.500   11.595   45.500   11.595   0.0000   0.0000   19.075   2.6453  ?   ?  0.000000 2.645305 
1 1 1    5    3   50 o   8.5380   2.4346   9.2000   5.1483   9.2000   5.1483   0.0000   0.0000   8.5380   2.4346  ?   ?  0.000000 2.434635 
1 1 1    5    3   51 o   39.319   4.0031  207.600   36.649  207.600   36.649   0.0000   0.0000   39.319   4.0031  ?   ?  0.000000 4.003108 
1 1 1    5    3   52 o   8.1605   2.4681   8.4000   5.1609   8.4000   5.1609   0.0000   0.0000   8.1605   2.4681  ?   ?  0.000000 2.468077 
1 1 1    5    3   53 o   5.9576   2.1720   3.7000   3.9678   3.7000   3.9678   0.0000   0.0000   5.9576   2.1720  ?   ?  0.000000 2.171954 
1 1 1    5    3   54 o   10.408   2.5846   14.300   6.3234   14.300   6.3234   0.0000   0.0000   10.408   2.5846  ?   ?  0.000000 2.584614 
1 1 1    5    3   55 o   9.0257   2.4629   10.900   5.3955   10.900   5.3955   0.0000   0.0000   9.0257   2.4629  ?   ?  0.000000 2.462941 
1 1 1    5    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    3   59 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    0 o  193.427   14.995  4545.30  675.420  4545.30  675.420  4545.30  675.420  193.427   14.995  193.427   14.995 0.000000 0.000000 
1 1 1    5    4    1 o  114.457   5.9727  1556.52  160.868  1791.10  227.686  1322.70  227.318  122.528   7.9116  104.989   9.2641 17.53823 12.18266 
1 1 1    5    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    4 o  253.219   19.709  7905.60  1169.22  7905.60  1169.22   0.0000   0.0000  253.219   19.709  ?   ?  0.000000 19.70940 
1 1 1    5    4    5 o  160.516   8.5417  3071.43  322.596  3373.70  456.271  2769.30  456.170  167.597   11.600  151.453   12.877 16.14345 17.33194 
1 1 1    5    4    6 o  150.294   7.9925  2688.77  282.632  2619.60  399.471  2758.10  399.934  147.691   11.546  151.630   11.250 -3.939316 16.12062 
1 1 1    5    4    7 o  271.133   14.218  8826.65  907.135  8388.50  1280.77  9267.70  1285.00  261.782   20.893  275.690   19.872 -13.90823 28.83434 
1 1 1    5    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4    9 o  126.031   6.7315  1884.91  199.607  2032.00  282.328  1737.90  282.246  130.593   9.2144  120.617   9.9998 9.975983 13.59783 
1 1 1    5    4   10 o  216.225   16.429  5617.40  832.547  5617.40  832.547   0.0000   0.0000  216.225   16.429  ?   ?  0.000000 16.42864 
1 1 1    5    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4   12 o   93.214   5.0976  1030.16  111.781  1055.80  158.045  1004.50  158.118   94.183   7.1600   91.832   7.3533 2.351151 10.26335 
1 1 1    5    4   13 o  173.838   9.5417  3594.24  390.181  3899.60  551.130  3287.40  552.471  180.546   13.014  165.456   14.280 15.08954 19.32114 
1 1 1    5    4   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4   15 o  317.630   24.550 12379.40  1827.03 12379.40  1827.03   0.0000   0.0000  317.630   24.550  ?   ?  0.000000 24.54964 
1 1 1    5    4   16 o  237.074   12.831  6724.58  715.648  6954.70  1010.49  6493.00  1013.67  239.605   17.991  231.227   18.726 8.378662 25.96803 
1 1 1    5    4   17 o  334.909   17.910 13600.96  1411.23 13408.40  1992.48 13794.80  1999.11  327.852   25.949  332.775   25.638 -4.922607 36.47789 
1 1 1    5    4   18 o  385.202   31.246 19122.70  2817.61 19122.70  2817.61   0.0000   0.0000  385.202   31.246  ?   ?  0.000000 31.24555 
1 1 1    5    4   19 o  367.004   29.943 17454.50  2572.31 17454.50  2572.31   0.0000   0.0000  367.004   29.943  ?   ?  0.000000 29.94275 
1 1 1    5    4   20 o  273.521   14.402  9075.81  926.919  8673.70  1308.13  9481.30  1313.61  263.312   21.219  276.008   20.297 -12.69571 29.36359 
1 1 1    5    4   21 o  127.011   6.8433  1922.10  204.487  1966.10  289.173  1878.10  289.204  127.896   9.6460  124.929   9.8841 2.966629 13.81087 
1 1 1    5    4   22 o  110.628   5.8769  1456.30  152.972  1348.50  216.189  1564.40  216.482  105.938   8.7195  114.290   8.0734 -8.351181 11.88317 
1 1 1    5    4   23 o   37.146   2.4596  163.785   21.452  132.400   30.355  195.100   30.322   33.213   3.9478   40.491   3.1972 -7.278084 5.080078 
1 1 1    5    4   24 f   49.234   3.0878  287.787   35.717  261.600   50.744  313.500   50.282   46.755   4.6581   51.283   4.1888 -4.527771 6.264547 
1 1 1    5    4   25 o  187.350   10.016  4230.61  441.523  4067.70  624.140  4393.80  624.677  181.588   14.681  189.080   14.092 -7.492157 20.35019 
1 1 1    5    4   26 o  157.640   8.4742  2982.03  314.290  2952.90  444.311  3011.20  444.635  155.540   12.195  157.125   12.076 -1.585800 17.16249 
1 1 1    5    4   27 o  133.171   7.2021  2122.22  225.637  2019.20  319.129  2225.20  319.069  128.893   10.578  135.533   10.041 -6.640244 14.58507 
1 1 1    5    4   28 o  185.592   9.9278  4167.54  433.507  3850.20  612.914  4485.20  613.228  175.723   14.912  190.497   13.724 -14.77473 20.26616 
1 1 1    5    4   29 o  218.592   11.949  5865.45  614.434  5875.30  869.026  5855.60  868.857  214.370   17.315  213.981   17.345 0.3893433 24.50825 
1 1 1    5    4   30 o   99.442   5.4337  1181.49  127.111  1196.80  179.819  1166.20  179.706   99.497   7.7138   98.180   7.8161 1.317947 10.98155 
1 1 1    5    4   31 o  157.429   8.5653  3015.32  317.214  2875.40  448.556  3155.30  448.659  151.096   12.689  158.796   12.055 -7.699295 17.50273 
1 1 1    5    4   32 o   33.472   2.2704  133.206   17.839  130.400   25.257  136.000   25.200   32.989   3.2859   33.709   3.2044 -0.7194061 4.589687 
1 1 1    5    4   33 o   28.063   1.9210   93.618   12.653  109.800   17.969   77.700   17.822   30.334   2.5316   25.408   3.0302 4.926243 3.948583 
1 1 1    5    4   34 f   51.298   3.1048  313.955   37.432  303.100   53.071  324.700   52.804   50.104   4.5348   51.917   4.3472 -1.813057 6.281966 
1 1 1    5    4   35 o   48.254   2.9226  277.905   33.145  265.300   46.883  290.500   46.864   46.851   4.2853   49.094   4.0795 -2.242874 5.916528 
1 1 1    5    4   36 o   26.997   1.8284   86.738   11.587  108.000   16.470   65.900   16.305   30.071   2.3378   23.326   3.0319 6.745382 3.828496 
1 1 1    5    4   37 o   77.947   4.3336  734.869   79.450  796.100  112.433  673.800  112.285   80.297   5.9724   73.521   6.5358 6.775955 8.853618 
1 1 1    5    4   38 o   16.950   1.5705   34.319   6.2145   43.100   8.8825   25.900   8.6978   18.951   2.0158   14.528   2.6324 4.423701 3.315568 
1 1 1    5    4   39 o   75.545   4.1526  692.571   73.794  777.000  104.471  608.500  104.249   79.156   5.6258   69.499   6.4250 9.657150 8.539962 
1 1 1    5    4   40 o   54.776   3.2457  361.746   41.795  368.700   59.126  354.800   59.088   54.732   4.6180   53.639   4.7128 1.092896 6.598215 
1 1 1    5    4   41 o   52.532   3.1505  333.645   38.901  363.500   55.019  303.800   55.010   54.290   4.3277   49.373   4.7781 4.916809 6.446628 
1 1 1    5    4   42 o   33.528   2.2384  134.980   17.620  147.600   24.987  122.500   24.849   34.818   3.0706   31.592   3.3837 3.226694 4.569207 
1 1 1    5    4   43 o   13.017   1.6434   20.484   4.9391   21.900   7.0251   19.100   6.9456   13.327   2.3164   12.396   2.4595 0.9305124 3.378622 
1 1 1    5    4   44 o   13.913   1.6918   23.415   5.4440   26.500   7.6807   20.300   7.7173   14.682   2.2902   12.731   2.6531 1.950617 3.504847 
1 1 1    5    4   45 o   14.815   1.6950   26.533   5.8229   28.500   8.2718   24.600   8.1982   15.199   2.3831   14.051   2.5653 1.147642 3.501418 
1 1 1    5    4   46 o   22.076   1.8880   58.806   9.7473   67.100   13.780   50.500   13.789   23.401   2.5343   20.113   2.9947 3.288078 3.923123 
1 1 1    5    4   47 o   46.877   2.9861  270.815   32.882  293.300   46.436  248.200   46.569   47.883   4.1478   43.657   4.5858 4.225380 6.183365 
1 1 1    5    4   48 o   13.697   1.6824   22.796   5.3273   24.000   7.5463   21.600   7.5216   13.874   2.3896   13.110   2.5213 0.7646446 3.473737 
1 1 1    5    4   49 o   19.349   1.7927   45.427   8.0976   50.100   11.480   40.800   11.423   20.095   2.4715   17.991   2.7784 2.104094 3.718536 
1 1 1    5    4   50 o   5.1679   1.8749   2.7000   2.9515   2.7000   2.9515   0.0000   0.0000   5.1679   1.8749  ?   ?  0.000000 1.874880 
1 1 1    5    4   51 o   14.189   2.5640   25.700   8.2746   25.700   8.2746   0.0000   0.0000   14.189   2.5640  ?   ?  0.000000 2.563957 
1 1 1    5    4   52 o   25.851   3.0603   86.300   18.319   86.300   18.319   0.0000   0.0000   25.851   3.0603  ?   ?  0.000000 3.060343 
1 1 1    5    4   53 o   9.5192   2.6152   11.800   6.0594   11.800   6.0594   0.0000   0.0000   9.5192   2.6152  ?   ?  0.000000 2.615237 
1 1 1    5    4   54 o   3.1847   1.4780  -2.2000   2.6614  -2.2000   2.6614   0.0000   0.0000   3.1847   1.4780  ?   ?  0.000000 1.477973 
1 1 1    5    4   55 o   14.956   2.6925   30.100   9.1590   30.100   9.1590   0.0000   0.0000   14.956   2.6925  ?   ?  0.000000 2.692499 
1 1 1    5    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5    1 o  162.772   8.6920  3160.90  332.881  2991.00  470.692  3330.90  470.838  157.374   12.776  166.322   12.071 -8.947754 17.57657 
1 1 1    5    5    2 o   38.627   2.4604  176.987   22.326  184.500   31.601  169.500   31.545   39.358   3.4347   37.695   3.5872 1.662689 4.966351 
1 1 1    5    5    3 o  104.107   5.6395  1287.38  138.120  1231.20  195.289  1343.60  195.373  101.454   8.2224  106.069   7.8562 -4.615608 11.37224 
1 1 1    5    5    4 o  174.886   9.3415  3650.29  384.378  3674.00  543.662  3626.60  543.523  174.503   13.294  173.343   13.382 1.160172 18.86268 
1 1 1    5    5    5 f   70.981   3.9561  597.497   66.045  643.200   93.456  551.900   93.348   73.519   5.4215   68.020   5.8692 5.498528 7.990006 
1 1 1    5    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5    7 o  130.516   6.9736  2022.96  214.145  1979.50  302.701  2066.50  302.993  128.700   10.040  131.546   9.8251 -2.846359 14.04738 
1 1 1    5    5    8 o  301.888   23.240 11123.60  1643.94 11123.60  1643.94   0.0000   0.0000  301.888   23.240  ?   ?  0.000000 23.23956 
1 1 1    5    5    9 o  289.385   15.075 10017.59  1026.59 11048.90  1453.59  8991.30  1450.06  302.336   20.481  271.823   22.802 30.51343 30.64970 
1 1 1    5    5   10 o  104.052   5.7974  1284.16  141.880  1387.20  200.393  1180.60  200.905  107.957   7.9160   99.462   8.6399 8.495468 11.71799 
1 1 1    5    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5   12 o  240.125   12.784  6878.64  722.293  7191.30  1021.33  6565.80  1021.63  244.373   17.822  233.211   18.709 11.16191 25.83892 
1 1 1    5    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5   14 o  375.227   29.325 17468.50  2577.71 17468.50  2577.71   0.0000   0.0000  375.227   29.325  ?   ?  0.000000 29.32541 
1 1 1    5    5   15 o  395.094   31.197 19570.60  2886.86 19570.60  2886.86   0.0000   0.0000  395.094   31.197  ?   ?  0.000000 31.19686 
1 1 1    5    5   16 o   42.150   2.4958  210.588   24.731  231.600   35.069  189.800   34.882   44.143   3.3902   39.900   3.7461 4.242855 5.052373 
1 1 1    5    5   17 o  212.537   11.325  5402.49  566.340  5392.10  800.628  5412.90  801.224  210.936   16.197  211.350   16.177 -0.4146271 22.89225 
1 1 1    5    5   18 f  169.178   8.9636  3413.55  356.811  3556.20  504.791  3271.10  504.425  171.878   12.524  164.663   13.081 7.215256 18.10921 
1 1 1    5    5   19 o  125.022   6.7320  1859.76  198.009  1999.20  280.023  1720.30  280.032  129.212   9.2385  119.661   10.002 9.551109 13.61591 
1 1 1    5    5   20 o  280.906   15.261  9610.79  1008.51  9668.80  1423.94  9552.40  1428.58  277.322   21.923  275.468   22.149 1.854614 31.16418 
1 1 1    5    5   21 o   86.242   4.7427  883.492   96.212  786.700  136.059  980.300  136.070   81.030   7.1853   90.644   6.3982 -9.613914 9.621100 
1 1 1    5    5   22 f  112.489   6.0661  1506.52  160.537  1454.60  226.961  1558.50  227.108  110.019   8.8101  113.971   8.4998 -3.952621 12.24193 
1 1 1    5    5   23 o   78.081   4.3395  724.246   79.695  700.900  112.697  747.600  112.716   76.549   6.2903   79.107   6.0806 -2.557808 8.748794 
1 1 1    5    5   24 o  207.528   11.127  5207.77  543.300  5442.70  768.629  4973.20  768.056  209.808   15.626  200.051   16.403 9.756592 22.65492 
1 1 1    5    5   25 o  124.786   6.7206  1858.82  197.303  1808.30  278.955  1909.40  279.101  122.340   9.7367  125.811   9.4640 -3.470810 13.57836 
1 1 1    5    5   26 o   84.499   4.6429  849.025   92.285  815.100  130.464  883.000  130.559   82.458   6.7597   85.895   6.4847 -3.437073 9.367205 
1 1 1    5    5   27 o  261.874   13.680  8434.70  842.996  7390.00  1191.04  9483.40  1193.31  238.316   21.392  273.160   18.611 -34.84343 28.35505 
1 1 1    5    5   28 o  132.783   7.1252  2111.62  222.594  2038.40  314.629  2185.00  314.963  129.428   10.382  134.164   10.014 -4.736267 14.42441 
1 1 1    5    5   29 o   81.262   4.4961  786.193   85.940  802.400  121.566  770.000  121.510   81.766   6.3459   80.060   6.4831 1.706329 9.071982 
1 1 1    5    5   30 o  121.832   6.6182  1781.70  189.684  1709.50  268.251  1853.90  268.257  118.228   9.6938  123.324   9.2798 -5.095177 13.41955 
1 1 1    5    5   31 o   24.324   1.8918   70.377   10.781   73.800   15.299   67.000   15.194   24.827   2.6506   23.625   2.7766 1.202127 3.838626 
1 1 1    5    5   32 o   71.087   3.9985  603.087   66.847  544.400   94.525  661.800   94.547   67.061   6.0338   74.151   5.4376 -7.090096 8.122405 
1 1 1    5    5   33 o  100.618   5.5059  1220.55  130.323  1286.30  184.375  1154.90  184.234  102.315   7.6875   96.689   8.1451 5.626266 11.20000 
1 1 1    5    5   34 f  110.510   6.0687  1485.15  157.758  1554.90  223.188  1415.50  223.019  111.522   8.5401  106.065   8.9890 5.457367 12.39900 
1 1 1    5    5   35 o   35.111   2.3701  146.928   19.535  132.700   27.655  161.100   27.600   33.151   3.5901   36.634   3.2233 -3.483646 4.824764 
1 1 1    5    5   36 o   90.110   5.0210  986.567  106.414  1020.90  150.565  952.300  150.419   90.411   7.1098   87.121   7.3811 3.289772 10.24841 
1 1 1    5    5   37 o   36.051   2.3231  155.044   19.672  165.800   27.893  144.400   27.748   37.117   3.2141   34.570   3.4450 2.547508 4.711540 
1 1 1    5    5   38 o   74.956   4.2626  681.193   75.136  694.000  106.288  668.400  106.228   74.667   6.0811   73.192   6.2046 1.474243 8.687806 
1 1 1    5    5   39 o   64.060   3.4439  494.359   51.904  589.900   73.535  399.500   73.272   69.517   4.5039   56.661   5.5476 12.85605 7.145643 
1 1 1    5    5   40 o   47.791   2.8481  274.329   31.996  321.900   45.283  226.900   45.215   51.473   3.7514   42.878   4.5344 8.594814 5.885064 
1 1 1    5    5   41 o   33.671   2.2923  135.950   18.117  144.800   25.622  127.100   25.622   34.516   3.1793   32.247   3.4168 2.269005 4.667129 
1 1 1    5    5   42 o   2.3176   0.9985  -0.1061   0.9914  -2.7000   1.6720   1.3000   1.2311   2.1980   1.0621   3.5034   1.2168 -1.305355 1.615136 
1 1 1    5    5   43 o   25.788   1.9790   79.916   11.959   90.500   16.940   69.400   16.885   27.267   2.6651   23.716   3.0883 3.550425 4.079263 
1 1 1    5    5   44 o   24.938   1.9730   74.897   11.523   78.100   16.305   71.700   16.288   25.230   2.7830   24.117   2.9196 1.113354 4.033537 
1 1 1    5    5   45 o   23.453   1.9212   66.300   10.546   82.300   14.915   50.300   14.915   25.988   2.4598   19.998   3.2716 5.989817 4.093166 
1 1 1    5    5   46 o   46.557   2.9583  266.306   32.354  288.800   45.700  243.700   45.812   47.657   4.1009   43.413   4.5359 4.244148 6.114866 
1 1 1    5    5   47 o   31.247   2.2293  118.416   16.341  137.700   23.100   99.100   23.119   33.381   2.9613   27.987   3.5803 5.394323 4.646268 
1 1 1    5    5   48 o   22.549   1.7803   61.391   9.4024   76.900   13.434   46.500   13.164   25.080   2.2938   19.199   3.0020 5.881025 3.777994 
1 1 1    5    5   49 o   37.621   2.4823  174.152   21.928  195.300   31.046  153.100   30.975   39.184   3.3886   34.275   3.8964 4.909428 5.163781 
1 1 1    5    5   50 o   24.289   2.9036   74.700   16.323   74.700   16.323   0.0000   0.0000   24.289   2.9036  ?   ?  0.000000 2.903625 
1 1 1    5    5   51 o   13.232   2.4561   22.300   7.3915   22.300   7.3915   0.0000   0.0000   13.232   2.4561  ?   ?  0.000000 2.456146 
1 1 1    5    5   52 o   15.399   2.5803   30.300   9.0506   30.300   9.0506   0.0000   0.0000   15.399   2.5803  ?   ?  0.000000 2.580278 
1 1 1    5    5   53 o   16.193   2.6978   33.900   9.9529   33.900   9.9529   0.0000   0.0000   16.193   2.6978  ?   ?  0.000000 2.697839 
1 1 1    5    5   54 o   8.5417   2.5318   9.5000   5.4713   9.5000   5.4713   0.0000   0.0000   8.5417   2.5318  ?   ?  0.000000 2.531767 
1 1 1    5    5   55 o   4.1381   1.7965  -0.2000   3.2592  -0.2000   3.2592   0.0000   0.0000   4.1381   1.7965  ?   ?  0.000000 1.796534 
1 1 1    5    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6    1 o  278.130   21.822  9592.00  1421.68  9592.00  1421.68   0.0000   0.0000  278.130   21.822  ?   ?  0.000000 21.82178 
1 1 1    5    6    2 o  217.623   11.477  5673.92  587.680  6056.50  831.573  5292.20  830.639  223.416   15.866  208.340   17.033 15.07626 23.27752 
1 1 1    5    6    3 o   42.697   2.6510  216.200   26.596  217.500   37.617  214.900   37.608   42.729   3.7667   42.468   3.7900 0.2603645 5.343410 
1 1 1    5    6    4 o  336.966   26.723 14244.40  2108.93 14244.40  2108.93   0.0000   0.0000  336.966   26.723  ?   ?  0.000000 26.72334 
1 1 1    5    6    5 o  240.223   12.857  6911.99  726.678  7806.10  1027.60  6017.60  1027.76  253.923   17.240  221.885   19.824 32.03719 26.27211 
1 1 1    5    6    6 o  170.078   8.7853  3440.53  351.626  2993.40  496.849  3889.20  497.702  157.795   13.463  180.357   11.750 -22.56267 17.86971 
1 1 1    5    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6    9 o   71.695   4.0030  609.216   67.499  600.100   95.280  618.400   95.638   71.011   5.7310   72.099   5.6630 -1.087875 8.056899 
1 1 1    5    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6   11 o   66.812   3.7510  529.035   58.939  511.700   83.196  546.500   83.509   65.565   5.4223   67.789   5.2581 -2.223198 7.553029 
1 1 1    5    6   12 o  129.262   6.9796  1983.08  212.252  2098.80  300.069  1867.20  300.269  132.688   9.6429  125.028   10.261 7.659248 14.08092 
1 1 1    5    6   13 o  234.211   12.436  6545.19  685.300  7160.80  969.166  5929.60  969.157  243.948   16.929  221.402   18.713 22.54614 25.23418 
1 1 1    5    6   14 o  388.972   30.561 18873.60  2784.42 18873.60  2784.42   0.0000   0.0000  388.972   30.561  ?   ?  0.000000 30.56076 
1 1 1    5    6   15 o  301.773   16.652 10965.85  1182.01 11964.30  1669.95  9963.40  1673.29  312.658   22.775  284.040   25.210 28.61798 33.97421 
1 1 1    5    6   16 o  242.465   13.136  7046.91  749.294  7311.70  1058.25  6780.70  1061.08  245.247   18.408  235.818   19.222 9.428604 26.61469 
1 1 1    5    6   17 o   94.358   5.0787  1056.51  112.742  1183.90  159.497  929.300  159.387   99.713   6.8147   88.164   7.7341 11.54836 10.30809 
1 1 1    5    6   18 o  271.707   14.631  8921.01  935.253  9246.70  1322.43  8595.10  1322.87  273.595   20.621  263.244   21.468 10.35117 29.76744 
1 1 1    5    6   19 o   28.485   2.0580   96.348   13.750   91.600   19.441  101.100   19.450   27.675   3.0240   29.108   2.8669 -1.433308 4.167000 
1 1 1    5    6   20 o   61.618   3.4709  450.389   50.297  411.900   71.074  489.000   71.187   58.738   5.1771   64.090   4.7374 -5.351543 7.017509 
1 1 1    5    6   21 o  198.663   10.595  4745.71  495.215  4618.80  699.960  4872.90  700.720  194.043   15.403  199.537   14.981 -5.493225 21.48662 
1 1 1    5    6   22 o  263.533   14.275  8479.05  884.998  8162.10  1251.38  8796.20  1251.77  253.701   21.079  264.135   20.223 -10.43422 29.21152 
1 1 1    5    6   23 f  173.756   9.3123  3625.61  380.694  3573.50  538.156  3677.80  538.608  170.957   13.439  173.532   13.244 -2.575180 18.86849 
1 1 1    5    6   24 o   25.172   1.9664   75.316   11.596   69.300   16.421   81.300   16.377   24.028   2.9564   26.085   2.6976 -2.057047 4.002234 
1 1 1    5    6   25 o  199.417   10.704  4806.60  502.215  4673.10  709.969  4940.30  710.510  194.112   15.621  199.885   15.166 -5.772797 21.77250 
1 1 1    5    6   26 o   85.687   4.5529  872.819   91.792  766.000  129.674  980.100  129.955   79.879   6.9438   90.580   6.1114 -10.70082 9.250213 
1 1 1    5    6   27 o  141.074   7.4864  2384.53  248.497  2185.00  351.236  2584.50  351.621  133.806   11.220  145.971   10.266 -12.16467 15.20811 
1 1 1    5    6   28 o  126.829   6.8657  1925.65  204.855  1939.80  289.694  1911.50  289.724  126.411   9.7811  125.453   9.8595 0.9580002 13.88809 
1 1 1    5    6   29 o  129.290   6.9925  2005.48  212.687  1983.50  300.651  2027.50  300.920  127.501   10.068  128.959   9.9590 -1.458282 14.16130 
1 1 1    5    6   30 o  105.239   5.7091  1325.33  141.344  1255.20  199.795  1395.60  199.987  101.617   8.4018  107.341   7.9464 -5.724449 11.56439 
1 1 1    5    6   31 o   81.898   4.4516  800.576   85.766  733.500  121.179  867.900  121.404   77.854   6.6555   84.890   6.0970 -7.036324 9.026011 
1 1 1    5    6   32 o   67.064   3.7573  536.435   59.262  501.000   83.733  572.000   83.886   64.414   5.5594   68.951   5.1902 -4.536903 7.605596 
1 1 1    5    6   33 o   49.334   2.8761  289.808   33.360  254.600   47.117  325.200   47.240   45.958   4.3952   52.100   3.8674 -6.141392 5.854462 
1 1 1    5    6   34 o   45.931   2.8108  251.501   30.340  253.700   42.894  249.300   42.920   45.910   3.9965   45.498   4.0368 0.4115601 5.680474 
1 1 1    5    6   35 o   88.578   4.9424  949.533  102.966  1022.20  145.633  876.900  145.599   90.925   6.8328   83.835   7.4319 7.090111 10.09554 
1 1 1    5    6   36 o   40.611   2.5706  196.843   24.524  201.500   34.707  192.200   34.657   40.874   3.6338   39.892   3.7222 0.9825134 5.201857 
1 1 1    5    6   37 o   31.440   2.1320  117.869   15.735  130.600   22.324  105.300   22.182   32.972   2.8966   29.511   3.2363 3.460770 4.343246 
1 1 1    5    6   38 o   50.292   3.0369  303.359   35.896  315.900   50.746  290.800   50.784   50.948   4.2570   48.799   4.4563 2.149498 6.162841 
1 1 1    5    6   39 o   10.807   1.6333   14.153   4.0381   14.000   5.7731   14.300   5.6504   10.639   2.3598   10.761   2.2937 -0.1221933 3.290854 
1 1 1    5    6   40 o   20.273   1.7750   49.159   8.4113   52.400   11.973   46.000   11.820   20.812   2.4854   19.448   2.6421 1.363094 3.627398 
1 1 1    5    6   41 o   9.4064   1.7059   10.834   3.6496   8.4000   5.2559   13.100   5.0717   8.3281   2.4844   10.293   2.1557 -1.964884 3.289274 
1 1 1    5    6   42 o   21.880   1.8495   57.438   9.4666   60.000   13.419   54.900   13.357   22.197   2.6099   21.188   2.7334 1.009117 3.779268 
1 1 1    5    6   43 o   40.431   2.5973  197.846   24.666  205.100   34.894  190.600   34.873   40.682   3.6719   39.130   3.8229 1.551872 5.300702 
1 1 1    5    6   44 f   46.187   2.8245  260.011   30.658  287.500   43.427  232.700   43.286   47.935   3.8696   42.784   4.3448 5.150772 5.818131 
1 1 1    5    6   45 o   11.561   1.6622   16.269   4.4073   15.400   6.3022   17.100   6.1658   11.079   2.4717   11.718   2.3104 -0.6390610 3.383404 
1 1 1    5    6   46 o   45.665   2.8469  255.518   30.546  243.100   43.057  268.100   43.341   43.594   4.2362   45.957   4.0347 -2.362778 5.850103 
1 1 1    5    6   47 o   26.198   2.0348   83.018   12.489   93.600   17.647   72.400   17.677   27.566   2.7475   24.034   3.1938 3.532475 4.213022 
1 1 1    5    6   48 o   45.491   2.9091  256.372   31.086  289.900   43.947  222.800   43.976   47.464   3.9572   40.969   4.6268 6.494648 6.088191 
1 1 1    5    6   49 o   22.114   1.7891   59.267   9.2621   81.100   13.139   37.700   13.059   25.739   2.1823   17.020   3.3684 8.718788 4.013520 
1 1 1    5    6   50 o   24.265   2.9117   74.700   16.351   74.700   16.351   0.0000   0.0000   24.265   2.9117  ?   ?  0.000000 2.911692 
1 1 1    5    6   51 o   13.940   2.5275   24.800   8.0137   24.800   8.0137   0.0000   0.0000   13.940   2.5275  ?   ?  0.000000 2.527501 
1 1 1    5    6   52 o   15.406   2.5603   30.300   8.9872   30.300   8.9872   0.0000   0.0000   15.406   2.5603  ?   ?  0.000000 2.560313 
1 1 1    5    6   53 o   6.9900   2.2315   6.0000   4.1567   6.0000   4.1567   0.0000   0.0000   6.9900   2.2315  ?   ?  0.000000 2.231541 
1 1 1    5    6   54 o   15.096   2.6434   29.900   9.0797   29.900   9.0797   0.0000   0.0000   15.096   2.6434  ?   ?  0.000000 2.643399 
1 1 1    5    6   55 o   13.607   2.9463   25.800   9.1926   25.800   9.1926   0.0000   0.0000   13.607   2.9463  ?   ?  0.000000 2.946287 
1 1 1    5    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7    0 o  113.018   8.8670  1540.40  233.288  1540.40  233.288  1540.40  233.288  113.018   8.8670  113.018   8.8670 0.000000 0.000000 
1 1 1    5    7    1 o   55.273   3.1754  362.196   41.272  322.400   58.328  402.100   58.407   51.987   4.8058   58.159   4.2831 -6.171417 6.437393 
1 1 1    5    7    2 o  282.495   15.103  9611.63  1003.85  9883.40  1419.83  9340.00  1419.48  283.725   21.349  275.445   22.008 8.280334 30.66113 
1 1 1    5    7    3 o  276.646   21.464  9382.40  1391.19  9382.40  1391.19   0.0000   0.0000  276.646   21.464  ?   ?  0.000000 21.46406 
1 1 1    5    7    4 o   46.837   2.8317  260.094   31.171  241.100   44.076  279.100   44.089   44.968   4.1995   48.440   3.8872 -3.472683 5.722408 
1 1 1    5    7    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7    7 o  236.196   12.484  6652.96  693.789  6928.30  981.509  6378.00  980.824  239.931   17.443  229.957   18.212 9.974121 25.21765 
1 1 1    5    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7    9 o  334.144   25.712 13635.00  2013.18 13635.00  2013.18   0.0000   0.0000  334.144   25.712  ?   ?  0.000000 25.71190 
1 1 1    5    7   10 o  258.599   19.734  8077.50  1195.97  8077.50  1195.97   0.0000   0.0000  258.599   19.734  ?   ?  0.000000 19.73433 
1 1 1    5    7   11 o  149.118   8.1971  2641.52  287.527  2865.70  406.112  2416.20  407.140  154.946   11.174  142.039   12.259 12.90736 16.58762 
1 1 1    5    7   12 o   58.136   3.3615  400.601   45.950  407.600   64.977  393.600   64.988   58.532   4.7419   57.503   4.8309 1.029366 6.769283 
1 1 1    5    7   13 o  174.833   9.3228  3635.64  383.496  3683.20  542.148  3588.00  542.542  175.339   13.191  173.008   13.384 2.330994 18.79199 
1 1 1    5    7   14 o  234.903   12.482  6591.31  689.902  6737.20  975.797  6445.50  975.541  236.154   17.626  230.833   18.041 5.320877 25.22145 
1 1 1    5    7   15 o  325.568   17.856 12812.74  1367.52 13506.00  1931.56 12116.00  1936.39  330.710   24.917  312.237   26.514 18.47308 36.38489 
1 1 1    5    7   16 o  271.114   14.442  8841.87  921.269  8697.50  1302.26  8986.50  1303.48  266.230   20.882  270.806   20.537 -4.576935 29.28858 
1 1 1    5    7   17 o   88.675   4.8670  933.153  101.522  1034.70  143.572  831.600  143.576   93.207   6.5651   83.403   7.3658 9.803589 9.866916 
1 1 1    5    7   18 o  144.375   7.9819  2484.58  271.064  2658.40  382.704  2309.60  383.982  148.744   10.973  138.377   11.866 10.36659 16.16226 
1 1 1    5    7   19 o   48.631   2.9719  280.561   33.963  292.700   47.912  268.300   48.152   49.569   4.1309   47.419   4.3488 2.150635 5.998015 
1 1 1    5    7   20 o  359.043   19.825 16054.06  1674.33 16008.30  2364.26 16100.10  2371.47  348.497   28.993  349.493   28.997 -0.9960022 41.00536 
1 1 1    5    7   21 o   87.106   4.7550  901.384   97.434  945.900  137.894  857.000  137.690   88.988   6.6094   84.625   6.9518 4.362946 9.592307 
1 1 1    5    7   22 o  169.839   9.0964  3459.63  363.488  3248.60  513.966  3670.80  514.132  163.049   13.470  173.732   12.618 -10.68298 18.45699 
1 1 1    5    7   23 o  218.795   11.531  5793.48  593.639  6368.90  840.166  5219.80  838.900  227.072   15.767  204.391   17.552 22.68097 23.59344 
1 1 1    5    7   24 f  170.250   8.8311  3478.26  353.810  3119.10  499.918  3838.70  500.810  159.517   13.396  177.688   12.006 -18.17155 17.98887 
1 1 1    5    7   25 o  138.173   7.4274  2283.47  241.449  2244.70  341.326  2322.30  341.594  136.055   10.711  138.461   10.527 -2.406342 15.01758 
1 1 1    5    7   26 o  117.371   6.2710  1643.79  173.175  1537.10  244.777  1750.70  245.036  112.778   9.2736  120.576   8.6639 -7.797768 12.69100 
1 1 1    5    7   27 o  215.427   11.639  5655.86  589.884  5515.90  833.810  5796.10  834.635  209.074   17.037  214.696   16.592 -5.622696 23.78142 
1 1 1    5    7   28 o  118.533   6.4244  1680.39  179.146  1667.50  253.285  1693.30  253.417  117.286   9.2197  118.218   9.1493 -0.9320526 12.98893 
1 1 1    5    7   29 o  172.364   9.3559  3604.58  379.371  3447.50  536.476  3761.70  536.546  165.962   13.815  173.844   13.168 -7.881729 19.08521 
1 1 1    5    7   30 o   49.411   2.9506  290.144   34.270  279.300   48.452  301.000   48.479   48.297   4.2931   50.178   4.1281 -1.880375 5.955862 
1 1 1    5    7   31 o   12.112   1.6176   17.647   4.5107   17.800   6.4441   17.500   6.3160   12.059   2.3475   11.958   2.3205 0.1008682 3.300834 
1 1 1    5    7   32 o   60.796   3.4954  440.636   49.970  420.800   70.643  460.500   70.692   59.081   5.1140   61.880   4.8775 -2.798752 7.067031 
1 1 1    5    7   33 o   35.140   2.3215  146.933   19.154  155.600   27.115  138.300   27.061   36.041   3.2200   33.927   3.4247 2.113380 4.700751 
1 1 1    5    7   34 o   45.571   2.7880  247.592   29.857  253.000   42.255  242.200   42.194   45.851   3.9411   44.835   4.0284 1.015633 5.635587 
1 1 1    5    7   35 o   35.658   2.3124  151.503   19.366  168.400   27.426  134.700   27.349   37.468   3.1285   33.404   3.5202 4.063255 4.709490 
1 1 1    5    7   36 f  109.483   6.1424  1476.55  158.159  1574.20  223.668  1378.90  223.672  110.886   8.6096  103.099   9.2871 7.787239 12.66397 
1 1 1    5    7   37 o   54.553   3.2269  356.996   41.384  365.700   58.540  348.300   58.512   54.791   4.5662   53.419   4.6859 1.371368 6.542800 
1 1 1    5    7   38 o  114.834   6.5536  1651.83  176.975  1695.70  250.179  1607.90  250.381  112.925   9.4695  109.545   9.7822 3.379768 13.61483 
1 1 1    5    7   39 o   37.281   2.4275  166.290   21.254  178.100   30.071  154.500   30.045   38.365   3.3529   35.640   3.6203 2.725754 4.934481 
1 1 1    5    7   40 o   36.518   2.3727  159.720   20.350  181.900   28.799  137.600   28.760   38.774   3.1732   33.537   3.6929 5.237469 4.868886 
1 1 1    5    7   41 o   30.140   2.1417  108.892   15.143  118.900   21.425   98.900   21.407   31.303   2.9327   28.435   3.2463 2.867399 4.374874 
1 1 1    5    7   42 o   4.8829   1.5199   2.8124   1.9397   2.6000   2.8325   3.0000   2.6618   5.1041   1.8390   5.2389   1.7906 -0.1348314 2.566718 
1 1 1    5    7   43 o   41.565   2.6761  209.474   26.126  234.500   36.930  184.400   36.965   43.523   3.6263   38.284   4.1557 5.239544 5.515438 
1 1 1    5    7   44 o   20.615   1.7854   51.129   8.6055   65.100   12.201   37.300   12.139   23.162   2.2597   17.237   3.0962 5.924767 3.833070 
1 1 1    5    7   45 o   29.364   2.0520  103.983   14.139  127.200   20.046   81.000   19.945   32.275   2.6538   25.419   3.4087 6.855894 4.319926 
1 1 1    5    7   46 o   24.277   1.8130   70.927   10.318   91.400   14.673   50.900   14.512   27.433   2.2859   20.133   3.1563 7.300425 3.897165 
1 1 1    5    7   47 o   10.825   1.5924   14.286   3.9489   18.100   5.6730   10.700   5.5003   12.105   2.0583   9.2309   2.4734 2.874540 3.217754 
1 1 1    5    7   48 o   15.667   1.6883   29.758   6.1470   31.800   8.7864   27.800   8.6030   16.000   2.3996   14.897   2.5366 1.103324 3.491708 
1 1 1    5    7   49 o   34.864   2.3219  149.057   19.007  180.800   26.919  117.500   26.840   37.931   3.0307   29.955   3.8861 7.976929 4.928149 
1 1 1    5    7   50 o   4.5243   1.8573   0.9000   3.1781   0.9000   3.1781   0.0000   0.0000   4.5243   1.8573  ?   ?  0.000000 1.857301 
1 1 1    5    7   51 o   25.085   2.9772   80.700   17.291   80.700   17.291   0.0000   0.0000   25.085   2.9772  ?   ?  0.000000 2.977238 
1 1 1    5    7   52 o   17.846   2.6211   40.600   10.717   40.600   10.717   0.0000   0.0000   17.846   2.6211  ?   ?  0.000000 2.621057 
1 1 1    5    7   53 o   3.3891   1.4728  -0.3000   2.1949  -0.3000   2.1949   0.0000   0.0000   3.3891   1.4728  ?   ?  0.000000 1.472843 
1 1 1    5    7   54 o   5.4594   2.0026   3.1000   3.3805   3.1000   3.3805   0.0000   0.0000   5.4594   2.0026  ?   ?  0.000000 2.002555 
1 1 1    5    7   55 o   12.642   2.6968   21.900   7.8047   21.900   7.8047   0.0000   0.0000   12.642   2.6968  ?   ?  0.000000 2.696756 
1 1 1    5    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8    0 o  350.932   27.354 15139.60  2235.05 15139.60  2235.05 15139.60  2235.05  350.932   27.354  350.932   27.354 -0.000000 0.000000 
1 1 1    5    8    1 o  298.087   14.851 10636.03  1045.37  9372.20  1474.16 11914.40  1482.62  276.435   22.786  313.103   20.160 -36.66748 30.42459 
1 1 1    5    8    2 o  325.228   25.272 13037.80  1925.56 13037.80  1925.56   0.0000   0.0000  325.228   25.272  ?   ?  0.000000 25.27154 
1 1 1    5    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8    4 o  286.828   14.967  9854.18  1010.22  8791.60  1427.89 10919.10  1429.45  268.352   22.748  300.222   20.282 -31.87054 30.47665 
1 1 1    5    8    5 o  349.645   27.082 15028.30  2218.54 15028.30  2218.54   0.0000   0.0000  349.645   27.082  ?   ?  0.000000 27.08180 
1 1 1    5    8    6 o  166.742   8.7076  3302.89  341.661  3608.30  483.506  2998.30  482.857  173.866   11.847  158.220   13.040 15.64613 17.61825 
1 1 1    5    8    7 o  439.155   34.604 24083.30  3559.41 24083.30  3559.41   0.0000   0.0000  439.155   34.604  ?   ?  0.000000 34.60435 
1 1 1    5    8    8 o  352.438   27.283 15220.70  2252.88 15220.70  2252.88   0.0000   0.0000  352.438   27.283  ?   ?  0.000000 27.28285 
1 1 1    5    8    9 o  259.956   13.809  8068.48  844.654  8036.30  1193.18  8100.80  1195.87  257.950   19.739  258.999   19.701 -1.049500 27.88811 
1 1 1    5    8   10 o  144.766   7.8221  2488.56  266.404  2616.00  376.439  2360.70  377.065  148.059   10.842  140.516   11.464 7.542709 15.77903 
1 1 1    5    8   11 o  110.363   6.0148  1444.85  156.158  1539.20  220.726  1350.30  220.957  113.691   8.2786  106.374   8.8776 7.317116 12.13868 
1 1 1    5    8   12 o  303.796   15.988 11068.95  1142.88 11896.10  1617.01 10243.30  1615.54  312.831   22.030  289.456   23.848 23.37524 32.46654 
1 1 1    5    8   13 o  278.531   14.840  9296.58  972.537  9341.30  1374.85  9251.80  1375.90  277.113   21.171  275.727   21.297 1.386200 30.02950 
1 1 1    5    8   14 o  393.348   20.971 18813.00  1940.84 18371.20  2740.00 19257.90  2749.56  382.538   30.589  392.210   29.914 -9.671417 42.78435 
1 1 1    5    8   15 o  182.625   9.7655  3975.87  419.605  4263.80  593.343  3687.80  593.480  188.358   13.428  174.841   14.506 13.51703 19.76688 
1 1 1    5    8   16 o  249.593   13.426  7485.87  788.398  7881.40  1114.66  7089.90  1115.27  254.072   18.711  240.424   19.821 13.64777 27.25744 
1 1 1    5    8   17 o  224.691   12.023  6059.23  635.602  6091.50  898.448  6026.90  899.306  223.430   17.160  222.186   17.277 1.243256 24.35051 
1 1 1    5    8   18 o  177.501   9.5518  3767.78  398.884  3809.80  563.223  3725.50  564.994  177.363   13.550  175.311   13.759 2.051697 19.31096 
1 1 1    5    8   19 o  252.705   13.976  7745.85  830.752  8228.40  1173.41  7260.90  1176.32  257.337   19.454  240.734   20.901 16.60280 28.55317 
1 1 1    5    8   20 o  383.050   32.863 19957.20  2943.72 19957.20  2943.72   0.0000   0.0000  383.050   32.863  ?   ?  0.000000 32.86273 
1 1 1    5    8   21 o  290.765   15.863 10383.04  1085.05 10457.90  1534.59 10308.20  1534.39  285.934   22.921  283.697   23.105 2.237671 32.54549 
1 1 1    5    8   22 o   97.869   5.3202  1139.36  122.489  1007.80  173.199  1271.00  173.254   91.561   8.0941  103.087   7.1618 -11.52582 10.80764 
1 1 1    5    8   23 o   97.295   5.2550  1126.17  120.285  1073.70  169.981  1178.80  170.236   94.585   7.6768   99.205   7.3187 -4.619911 10.60645 
1 1 1    5    8   24 o   61.979   3.5418  456.043   51.621  450.400   72.960  461.700   73.046   61.415   5.0764   62.194   5.0164 -0.7792091 7.136842 
1 1 1    5    8   25 o  146.848   7.7138  2581.39  266.547  2382.50  376.618  2781.00  377.292  139.886   11.503  151.530   10.611 -11.64420 15.65020 
1 1 1    5    8   26 o  120.260   6.5168  1727.31  184.373  1747.10  260.670  1707.50  260.817  120.260   9.2502  118.846   9.3697 1.413490 13.16651 
1 1 1    5    8   27 o  127.957   6.6682  1957.27  200.783  1756.10  283.615  2159.40  284.287  120.218   10.084  133.740   9.0552 -13.52225 13.55296 
1 1 1    5    8   28 o  257.306   13.262  8185.96  803.036  7005.20  1134.31  9372.40  1137.03  230.217   21.100  270.455   17.905 -40.23801 27.67340 
1 1 1    5    8   29 o  121.950   6.5240  1783.07  187.189  1571.00  264.612  1995.50  264.838  113.273   9.9954  128.250   8.7983 -14.97694 13.31603 
1 1 1    5    8   30 o   76.785   4.3135  703.026   77.894  663.100  110.194  742.900  110.123   74.135   6.3561   78.592   5.9787 -4.456680 8.726130 
1 1 1    5    8   31 o   20.314   1.8406   49.193   8.7328   41.400   12.384   56.900   12.316   18.464   2.9390   21.789   2.4353 -3.325174 3.816845 
1 1 1    5    8   32 o   96.658   5.2683  1123.34  119.792  1036.40  169.303  1210.50  169.519   91.808   7.8860   99.559   7.2607 -7.751129 10.71949 
1 1 1    5    8   33 o   76.693   4.3094  705.398   77.727  699.100  109.904  711.700  109.941   75.727   6.2005   76.432   6.1434 -0.7049637 8.728535 
1 1 1    5    8   34 o   78.195   4.3296  735.048   79.633  665.200  112.536  805.100  112.700   73.528   6.5501   81.232   5.9160 -7.703865 8.826211 
1 1 1    5    8   35 o   57.060   3.3373  389.894   44.771  402.600   63.330  377.200   63.301   57.594   4.6975   55.682   4.8631 1.912582 6.761353 
1 1 1    5    8   36 o   71.445   4.0722  615.551   68.417  639.800   96.754  591.300   96.758   72.118   5.7287   69.190   5.9810 2.928070 8.281908 
1 1 1    5    8   37 o   49.536   2.9903  293.951   34.815  306.100   49.233  281.800   49.238   50.212   4.1906   48.102   4.3830 2.110134 6.063959 
1 1 1    5    8   38 f   46.055   2.7243  253.847   29.496  297.500   41.763  210.400   41.664   49.636   3.5873   41.478   4.3171 8.158100 5.613001 
1 1 1    5    8   39 o  105.399   6.0154  1391.24  149.093  1467.60  210.862  1314.90  210.837  105.263   8.5573   98.879   9.1330 6.383392 12.51558 
1 1 1    5    8   40 f   40.779   2.5396  199.493   24.333  225.000   34.451  174.100   34.374   43.050   3.4171   37.665   3.9224 5.385006 5.202069 
1 1 1    5    8   41 o   58.979   3.3759  422.991   46.821  484.100   66.301  362.200   66.129   62.400   4.5305   53.427   5.3120 8.972092 6.981630 
1 1 1    5    8   42 o   25.158   1.9481   75.985   11.483   80.400   16.267   71.600   16.212   25.686   2.7235   24.174   2.8978 1.512396 3.976766 
1 1 1    5    8   43 o   28.054   1.9995   94.605   13.159  112.900   18.659   76.500   18.562   30.476   2.6182   24.841   3.2416 5.635015 4.166911 
1 1 1    5    8   44 o   11.278   1.5615   15.433   4.0468   22.500   5.8160   8.8000   5.6345   13.596   1.8603   8.4963   2.5809 5.099689 3.181481 
1 1 1    5    8   45 o   29.812   2.1542  107.399   15.062  107.700   21.331  107.100   21.272   29.494   3.1097   29.410   3.1101 0.8327866E-01 4.398102 
1 1 1    5    8   46 o   25.400   1.8897   77.745   11.253   92.600   15.999   63.200   15.831   27.540   2.4871   22.510   3.0574 5.029705 3.941261 
1 1 1    5    8   47 o   52.465   3.0774  340.596   37.959  401.200   53.772  280.400   53.591   55.991   4.0955   45.880   5.0291 10.11075 6.485722 
1 1 1    5    8   48 o   2.0902   0.9445  -0.5469   0.9941  -1.4000   1.8489  -0.2000   1.1790   2.7193   1.2512   2.4843   1.0795 0.2349880 1.652541 
1 1 1    5    8   49 o   24.037   2.8629   72.700   15.930   72.700   15.930   0.0000   0.0000   24.037   2.8629  ?   ?  0.000000 2.862898 
1 1 1    5    8   50 o   18.513   2.6253   43.300   11.155   43.300   11.155   0.0000   0.0000   18.513   2.6253  ?   ?  0.000000 2.625336 
1 1 1    5    8   51 o   21.293   2.7787   57.800   13.638   57.800   13.638   0.0000   0.0000   21.293   2.7787  ?   ?  0.000000 2.778659 
1 1 1    5    8   52 o   3.8622   1.6338   0.2000   2.5693   0.2000   2.5693   0.0000   0.0000   3.8622   1.6338  ?   ?  0.000000 1.633789 
1 1 1    5    8   53 o   17.952   2.6827   41.600   11.024   41.600   11.024   0.0000   0.0000   17.952   2.6827  ?   ?  0.000000 2.682742 
1 1 1    5    8   54 o   15.513   2.7556   32.000   9.7242   32.000   9.7242   0.0000   0.0000   15.513   2.7556  ?   ?  0.000000 2.755596 
1 1 1    5    8   55 o   8.8787   2.4793   10.700   5.3974   10.700   5.3974   0.0000   0.0000   8.8787   2.4793  ?   ?  0.000000 2.479338 
1 1 1    5    8   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9    0 o   57.554   4.8528  399.600   64.873  399.600   64.873  399.600   64.873   57.554   4.8528   57.554   4.8528 -0.000000 0.000000 
1 1 1    5    9    1 o  114.526   6.0896  1555.86  164.092  1415.20  231.902  1696.90  232.221  108.880   9.1033  119.394   8.2881 -10.51405 12.31109 
1 1 1    5    9    2 f  121.023   6.4981  1737.82  185.023  1582.50  261.635  1893.20  261.690  115.103   9.7169  126.081   8.8457 -10.97858 13.14016 
1 1 1    5    9    3 o  349.964   27.147 15039.90  2225.83 15039.90  2225.83   0.0000   0.0000  349.964   27.147  ?   ?  0.000000 27.14674 
1 1 1    5    9    4 o  347.898   26.875 14836.60  2190.67 14836.60  2190.67   0.0000   0.0000  347.898   26.875  ?   ?  0.000000 26.87458 
1 1 1    5    9    5 o  332.746   17.717 13287.27  1387.07 12866.30  1961.53 13708.30  1961.69  324.496   25.812  335.371   24.950 -10.87451 35.89930 
1 1 1    5    9    6 o   47.421   2.9117  266.608   32.447  233.800   45.928  299.300   45.847   44.257   4.4553   50.181   3.8998 -5.923481 5.920934 
1 1 1    5    9    7 o  244.069   12.477  7099.03  716.680  8092.00  1014.34  6109.20  1012.74  259.726   16.626  224.880   19.257 34.84572 25.44149 
1 1 1    5    9    8 o  256.328   13.409  7840.53  808.826  7496.80  1141.76  8186.80  1145.96  249.139   19.565  260.650   18.744 -11.51102 27.09455 
1 1 1    5    9    9 o  422.025   33.221 22212.20  3283.85 22212.20  3283.85   0.0000   0.0000  422.025   33.221  ?   ?  0.000000 33.22063 
1 1 1    5    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9   11 o  137.870   7.4238  2256.99  240.800  2281.80  339.945  2232.00  341.142  138.242   10.492  136.694   10.653 1.548615 14.95213 
1 1 1    5    9   12 o  364.050   19.536 16014.46  1673.30 16012.10  2369.19 16016.80  2363.61  359.677   28.119  359.774   28.043 -0.9774780E-01 39.71251 
1 1 1    5    9   13 o   30.445   2.1686  110.025   15.488  103.900   21.949  116.100   21.859   29.482   3.2044   31.206   3.0035 -1.723549 4.391973 
1 1 1    5    9   14 o  284.739   15.183  9749.29  1017.20  9989.70  1438.86  9509.10  1438.22  285.681   21.487  278.426   22.056 7.254669 30.79177 
1 1 1    5    9   15 o  116.333   6.2859  1607.47  172.035  1641.00  243.229  1573.90  243.361  117.204   8.8537  114.737   9.0558 2.466873 12.66479 
1 1 1    5    9   16 o  253.973   13.647  7764.03  815.422  8207.10  1153.01  7320.70  1153.35  258.864   18.995  243.830   20.214 15.03371 27.73826 
1 1 1    5    9   17 o   56.902   3.2856  383.980   43.960  422.300   62.185  345.700   62.152   59.580   4.4522   53.817   4.9461 5.762360 6.654735 
1 1 1    5    9   18 o  138.616   7.5511  2290.49  246.232  2355.70  347.594  2224.80  348.860  139.944   10.597  135.889   10.965 4.055222 15.24914 
1 1 1    5    9   19 o  192.865   10.517  4468.02  477.163  4986.70  674.471  3948.30  675.150  202.399   14.202  179.190   16.129 23.20851 21.49042 
1 1 1    5    9   20 o  148.447   11.465  2664.90  398.774  2664.90  398.774   0.0000   0.0000  148.447   11.465  ?   ?  0.000000 11.46491 
1 1 1    5    9   21 o  152.468   8.4101  2782.92  301.618  2970.90  425.960  2593.90  427.146  156.598   11.602  145.962   12.514 10.63583 17.06457 
1 1 1    5    9   22 o  318.533   17.514 12620.63  1312.30 12388.80  1854.98 12852.90  1856.77  306.634   25.860  312.990   25.340 -6.355011 36.20575 
1 1 1    5    9   23 o  150.566   8.1179  2714.78  287.557  2747.10  406.477  2682.40  406.858  150.399   11.533  148.550   11.693 1.849197 16.42391 
1 1 1    5    9   24 o   93.293   5.0833  1035.46  111.561  1000.80  157.676  1070.20  157.867   91.329   7.3741   94.511   7.1262 -3.181328 10.25476 
1 1 1    5    9   25 o  216.956   11.727  5719.94  598.532  5667.70  845.989  5772.30  846.916  212.697   16.986  214.769   16.834 -2.072372 23.91454 
1 1 1    5    9   26 o   60.906   3.4337  440.462   49.183  394.000   69.490  487.100   69.620   57.374   5.1852   63.918   4.6444 -6.544514 6.961063 
1 1 1    5    9   27 o   95.540   4.9394  1086.63  111.054  915.800  156.816  1258.50  157.294   87.152   7.6991  102.538   6.5302 -15.38647 10.09559 
1 1 1    5    9   28 o  163.105   8.8320  3214.95  338.896  3209.30  479.082  3220.60  479.461  161.011   12.704  161.303   12.690 -0.2924500 17.95633 
1 1 1    5    9   29 o  132.789   7.2155  2122.15  225.400  2112.30  318.763  2132.00  318.766  131.168   10.376  131.807   10.324 -0.6383209 14.63746 
1 1 1    5    9   30 o   91.153   4.9789  993.364  106.763  883.200  150.926  1103.70  151.044   85.226   7.5786   95.619   6.7326 -10.39288 10.13718 
1 1 1    5    9   31 o  133.220   7.2955  2154.74  228.629  2026.60  323.318  2282.90  323.343  127.073   10.880  135.399   10.188 -8.326012 14.90506 
1 1 1    5    9   32 o   59.881   3.4238  427.662   48.211  395.400   68.141  460.000   68.221   57.214   5.0970   61.841   4.7071 -4.626675 6.938052 
1 1 1    5    9   33 o   29.692   2.1197  104.954   14.764  102.800   20.897  107.100   20.862   29.250   3.0714   29.874   2.9977 -0.6240597 4.291780 
1 1 1    5    9   34 o   51.922   3.0829  321.990   37.629  304.200   53.199  339.800   53.230   50.123   4.5441   53.067   4.2844 -2.943775 6.245416 
1 1 1    5    9   35 o   42.465   2.6504  215.239   26.444  225.500   37.418  205.000   37.377   43.252   3.6992   41.180   3.8899 2.072586 5.367938 
1 1 1    5    9   36 f   95.815   5.2745  1120.99  118.879  1270.90  168.212  971.400  168.028  100.702   7.1198   87.108   8.2679 13.59415 10.91099 
1 1 1    5    9   37 o   18.151   1.7374   39.400   7.3554   31.600   10.402   47.200   10.402   16.045   2.8499   19.803   2.2652 -3.758640 3.640491 
1 1 1    5    9   38 o   47.854   2.9089  274.594   32.714  282.400   46.284  266.800   46.247   48.170   4.1083   46.769   4.2335 1.401676 5.899177 
1 1 1    5    9   39 o   20.991   1.8112   52.688   8.8896   55.700   12.597   49.700   12.546   21.462   2.5346   20.225   2.6941 1.237783 3.698943 
1 1 1    5    9   40 o   37.619   2.4459  169.787   21.609  189.200   30.570  150.400   30.549   39.467   3.3108   35.014   3.7534 4.453213 5.004889 
1 1 1    5    9   41 o   45.454   2.7557  249.339   29.438  306.600   41.654  192.200   41.609   50.078   3.5453   39.123   4.5913 10.95556 5.800782 
1 1 1    5    9   42 o   29.809   2.1064  106.804   14.732  120.600   20.868   93.100   20.799   31.467   2.8390   27.473   3.2703 3.993826 4.330725 
1 1 1    5    9   43 o   11.334   1.7304   15.661   4.4842   10.700   6.4153   20.400   6.2705   9.3155   2.7362   12.882   2.1362 -3.566583 3.471301 
1 1 1    5    9   44 o   13.984   1.6940   23.669   5.4796   22.700   7.8274   24.600   7.6735   13.492   2.5503   14.099   2.3902 -0.6073542 3.495320 
1 1 1    5    9   45 o   29.281   2.0749  103.477   14.254  120.900   20.200   86.200   20.116   31.414   2.7508   26.263   3.3176 5.150709 4.309676 
1 1 1    5    9   46 o   25.611   1.9372   79.136   11.629   91.300   16.490   67.100   16.403   27.300   2.5889   23.191   3.0708 4.108847 4.016463 
1 1 1    5    9   47 o   5.1984   1.6699   3.1560   2.3250   0.6000   3.5914   5.0000   3.0505   4.6852   1.9535   6.3998   1.8888 -1.714641 2.717252 
1 1 1    5    9   48 o   41.865   2.4057  214.455   23.682  277.900   33.597  151.800   33.387   47.202   3.0302   33.949   4.2585 13.25338 5.226553 
1 1 1    5    9   49 o   19.860   1.9015   48.085   8.8082   64.100   12.405   31.800   12.509   22.784   2.3389   15.526   3.4961 7.257745 4.206334 
1 1 1    5    9   50 o   12.002   2.4744   18.400   6.7797   18.400   6.7797   0.0000   0.0000   12.002   2.4744  ?   ?  0.000000 2.474356 
1 1 1    5    9   51 o   10.611   2.4658   14.500   6.0607   14.500   6.0607   0.0000   0.0000   10.611   2.4658  ?   ?  0.000000 2.465755 
1 1 1    5    9   52 o   22.566   2.8558   65.500   14.877   65.500   14.877   0.0000   0.0000   22.566   2.8558  ?   ?  0.000000 2.855836 
1 1 1    5    9   53 o   8.2228   2.3677   8.7000   4.8465   8.7000   4.8465   0.0000   0.0000   8.2228   2.3677  ?   ?  0.000000 2.367669 
1 1 1    5    9   54 o   2.8396   1.2816  -0.9000   1.8243  -0.9000   1.8243   0.0000   0.0000   2.8396   1.2816  ?   ?  0.000000 1.281603 
1 1 1    5    9   55 o   6.0532   2.5278   2.2000   6.0268   2.2000   6.0268   0.0000   0.0000   6.0532   2.5278  ?   ?  0.000000 2.527776 
1 1 1    5    9   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10    0 o  344.986   26.677 14515.40  2143.29 14515.40  2143.29 14515.40  2143.29  344.986   26.677  344.986   26.677 -0.000000 0.000000 
1 1 1    5   10    1 o  171.771   8.9290  3505.08  360.922  3098.10  510.094  3913.10  510.749  160.786   13.562  181.092   12.012 -20.30592 18.11651 
1 1 1    5   10    2 o  455.770   36.048 26037.50  3847.99 26037.50  3847.99   0.0000   0.0000  455.770   36.048  ?   ?  0.000000 36.04832 
1 1 1    5   10    3 o  298.011   15.626 10624.21  1095.80 11494.30  1550.40  9755.70  1548.99  308.275   21.431  283.239   23.368 25.03674 31.70781 
1 1 1    5   10    4 o  364.187   28.236 16281.10  2409.22 16281.10  2409.22   0.0000   0.0000  364.187   28.236  ?   ?  0.000000 28.23571 
1 1 1    5   10    5 o  407.383   31.860 20559.80  3040.49   0.0000   0.0000 20559.80  3040.49  ?   ?   407.383   31.860 0.000000 31.86033 
1 1 1    5   10    6 o   71.842   3.8916  611.577   65.773  673.800   93.185  549.800   92.850   75.314   5.2730   67.939   5.8445 7.375504 7.871636 
1 1 1    5   10    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10    8 o  155.873   8.2486  2885.65  302.527  2802.60  427.065  2969.30  428.615  153.113   11.906  157.676   11.593 -4.562973 16.61745 
1 1 1    5   10    9 o  250.997   13.108  7519.47  774.187  7143.90  1093.08  7897.50  1096.66  243.123   19.196  255.970   18.263 -12.84648 26.49597 
1 1 1    5   10   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10   12 o  372.491   19.979 16808.35  1750.88 16147.90  2475.84 17469.10  2476.40  359.831   29.395  375.148   28.160 -15.31702 40.70706 
1 1 1    5   10   13 o  380.527   20.326 17609.01  1819.77 18800.30  2574.56 16419.60  2572.52  388.030   28.293  360.954   30.466 27.07559 41.57763 
1 1 1    5   10   14 f  139.983   7.5009  2330.05  247.039  2394.60  349.375  2265.50  349.357  141.435   10.537  137.490   10.849 3.944855 15.12327 
1 1 1    5   10   15 o  180.142   9.5874  3872.48  406.359  3697.00  574.563  4048.10  574.795  174.941   14.027  183.291   13.373 -8.350067 19.37967 
1 1 1    5   10   16 o  114.017   6.1982  1545.16  166.251  1621.20  235.029  1469.00  235.202  116.446   8.6084  110.735   9.0745 5.710396 12.50809 
1 1 1    5   10   17 o   52.282   3.0938  324.206   38.025  332.100   53.757  316.300   53.795   52.802   4.3502   51.509   4.4670 1.292889 6.235257 
1 1 1    5   10   18 o  218.796   11.856  5767.87  610.257  5937.00  862.105  5598.00  863.966  219.837   16.733  213.143   17.315 6.694061 24.07936 
1 1 1    5   10   19 o  105.951   5.7436  1335.18  143.162  1318.00  202.062  1352.50  202.864  104.860   8.2264  106.247   8.1479 -1.386772 11.57856 
1 1 1    5   10   20 o   98.844   7.7023  1170.50  178.357  1170.50  178.357   0.0000   0.0000   98.844   7.7023  ?   ?  0.000000 7.702305 
1 1 1    5   10   21 o  108.641   6.0834  1406.07  155.438  1518.40  219.465  1293.00  220.182  112.487   8.3213  103.587   9.0935 8.900795 12.32626 
1 1 1    5   10   22 o  209.914   11.545  5334.24  570.051  5562.60  804.956  5104.50  807.397  211.878   16.212  202.416   17.051 9.461853 23.52774 
1 1 1    5   10   23 o   86.499   4.7645  889.600   96.943  930.100  137.098  849.100  137.098   88.170   6.6335   84.163   6.9608 4.006989 9.615415 
1 1 1    5   10   24 o   54.874   3.1987  357.390   41.268  346.800   58.335  368.000   58.389   53.894   4.6287   55.546   4.4899 -1.652103 6.448563 
1 1 1    5   10   25 o   90.405   4.9389  972.506  105.035  934.500  148.456  1010.60  148.626   88.229   7.1881   91.830   6.9046 -3.600891 9.967073 
1 1 1    5   10   26 o  313.371   17.536 12395.57  1292.44 12298.10  1827.04 12493.20  1828.55  300.901   25.968  303.618   25.747 -2.716766 36.56839 
1 1 1    5   10   27 o   99.351   5.3931  1177.09  126.050  1129.80  178.144  1224.50  178.380   96.787   7.8625  100.868   7.5437 -4.081245 10.89618 
1 1 1    5   10   28 o   40.051   2.4697  190.436   23.243  166.600   32.827  214.400   32.915   37.300   3.7792   42.420   3.3122 -5.119995 5.025207 
1 1 1    5   10   29 o   65.287   3.7331  507.265   57.313  527.700   81.022  486.800   81.084   66.349   5.2134   63.665   5.4459 2.684113 7.539093 
1 1 1    5   10   30 o  108.985   5.9756  1427.26  153.197  1422.50  216.769  1432.00  216.536  107.815   8.5856  108.194   8.5450 -0.3793564 12.11324 
1 1 1    5   10   31 o   68.181   3.8490  554.764   61.716  495.000   87.253  614.600   87.306   63.937   5.8437   71.470   5.2091 -7.532051 7.828386 
1 1 1    5   10   32 o  121.987   6.7117  1811.87  192.591  1780.00  272.240  1843.80  272.489  118.915   9.7819  121.174   9.6016 -2.259483 13.70680 
1 1 1    5   10   33 o   92.463   5.0852  1032.11  110.604  1121.90  156.491  942.500  156.343   95.500   6.9879   87.129   7.6774 8.371918 10.38145 
1 1 1    5   10   34 o   58.915   3.4209  415.489   47.386  423.800   67.058  407.200   66.971   59.103   4.8475   57.894   4.9462 1.208820 6.925537 
1 1 1    5   10   35 o   38.825   2.4917  179.845   22.724  188.000   32.146  171.700   32.126   39.509   3.4812   37.705   3.6542 1.803703 5.046967 
1 1 1    5   10   36 o   28.946   1.9776   99.835   13.436  120.100   19.056   79.800   18.948   31.670   2.5703   25.654   3.1972 6.015882 4.102288 
1 1 1    5   10   37 o   22.713   1.8649   61.593   9.9138   63.800   14.043   59.400   13.997   22.995   2.6337   22.159   2.7330 0.8363056 3.795461 
1 1 1    5   10   38 o   89.905   5.0778  993.524  107.359  1072.70  151.854  914.400  151.804   91.777   7.0612   84.099   7.7307 7.677574 10.47015 
1 1 1    5   10   39 o   56.114   3.2936  379.870   43.451  416.100   61.474  343.700   61.423   58.209   4.5075   52.636   5.0018 5.572735 6.733221 
1 1 1    5   10   40 o   38.427   2.3349  176.975   21.086  217.800   29.885  136.500   29.756   42.449   3.0008   33.282   3.8577 9.166489 4.887422 
1 1 1    5   10   41 o   15.182   1.6124   27.698   5.6920   34.500   8.1119   21.100   7.9890   16.877   2.0794   13.018   2.6879 3.859328 3.398348 
1 1 1    5   10   42 o   12.773   1.7035   19.766   5.0099   16.500   7.1590   22.900   7.0134   11.473   2.6893   13.650   2.2546 -2.176866 3.509349 
1 1 1    5   10   43 o   22.942   1.8361   63.270   9.8637   73.900   14.002   52.800   13.897   24.649   2.4377   20.651   2.9322 3.998348 3.813159 
1 1 1    5   10   44 o   7.2902   1.7455   6.5999   2.9651   3.5000   4.3040   9.4000   4.0906   6.0854   2.2548   8.6840   2.0311 -2.598633 3.034704 
1 1 1    5   10   45 o   20.860   1.7828   52.415   8.6973   60.600   12.365   44.400   12.236   22.277   2.3878   18.896   2.8292 3.380919 3.702212 
1 1 1    5   10   46 o   29.900   2.1494  108.223   15.075  121.600   21.341   94.900   21.297   31.392   2.9121   27.508   3.3478 3.883570 4.437121 
1 1 1    5   10   47 o   15.698   1.6903   29.841   6.1669   36.200   8.7625   23.600   8.6806   17.167   2.2131   13.645   2.7883 3.522421 3.559862 
1 1 1    5   10   48 o   22.482   1.8408   61.263   9.6869   75.800   13.741   46.900   13.658   24.822   2.3732   19.176   3.1239 5.646570 3.923092 
1 1 1    5   10   49 o   11.269   1.6050   15.546   4.1502   9.6000   5.5012   23.400   6.3228   8.7235   2.5256   13.759   2.0051 -5.034995 3.224770 
1 1 1    5   10   50 f   14.739   2.5300   27.600   8.4884   27.600   8.4884   0.0000   0.0000   14.739   2.5300  ?   ?  0.000000 2.530028 
1 1 1    5   10   51 o   23.225   2.8717   69.000   15.413   69.000   15.413   0.0000   0.0000   23.225   2.8717  ?   ?  0.000000 2.871654 
1 1 1    5   10   52 o   13.397   2.5283   23.100   7.7050   23.100   7.7050   0.0000   0.0000   13.397   2.5283  ?   ?  0.000000 2.528320 
1 1 1    5   10   53 o   31.983   3.5190  138.900   26.137  138.900   26.137   0.0000   0.0000   31.983   3.5190  ?   ?  0.000000 3.518994 
1 1 1    5   10   54 o   14.057   2.6359   26.400   8.4281   26.400   8.4281   0.0000   0.0000   14.057   2.6359  ?   ?  0.000000 2.635932 
1 1 1    5   10   55 o   7.8181   2.8206   7.9000   6.6662   7.9000   6.6662   0.0000   0.0000   7.8181   2.8206  ?   ?  0.000000 2.820551 
1 1 1    5   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   10   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   11    2 o  265.113   13.827  8388.95  862.639  7620.90  1219.20  9158.90  1220.71  250.929   20.763  275.799   18.857 -24.87016 28.04761 
1 1 1    5   11    3 o   72.713   4.0658  626.645   69.530  603.100   98.320  650.200   98.341   71.173   5.9034   73.941   5.6756 -2.767525 8.189197 
1 1 1    5   11    4 o  163.929   8.7373  3192.41  336.998  3240.50  476.563  3144.30  476.611  164.664   12.346  162.156   12.545 2.508530 17.60109 
1 1 1    5   11    5 o  359.532   18.588 15537.06  1572.70 14342.80  2220.30 16739.60  2227.99  341.689   27.758  370.323   25.636 -28.63483 37.78517 
1 1 1    5   11    6 o  338.558   18.080 13772.87  1440.22 13778.50  2033.96 13767.20  2039.60  335.608   25.865  335.430   25.952 0.1779480 36.64026 
1 1 1    5   11    7 o  366.727   19.935 16220.22  1719.85 17330.60  2430.30 15106.30  2434.17  375.557   27.598  349.372   29.790 26.18481 40.60880 
1 1 1    5   11    8 o  592.896   49.715 46699.30  6896.08 46699.30  6896.08   0.0000   0.0000  592.896   49.715  ?   ?  0.000000 49.71523 
1 1 1    5   11    9 o   90.154   5.0233  963.835  106.514  1004.40  150.293  922.900  150.977   91.855   6.9813   87.989   7.3332 3.866920 10.12495 
1 1 1    5   11   10 o  387.220   30.399 18683.50  2757.25 18683.50  2757.25   0.0000   0.0000  387.220   30.399  ?   ?  0.000000 30.39910 
1 1 1    5   11   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   11   12 o  461.683   37.831 27657.80  4088.16   0.0000   0.0000 27657.80  4088.16  ?   ?   461.683   37.831 0.000000 37.83139 
1 1 1    5   11   13 o  198.571   10.576  4707.42  494.118  4913.20  698.848  4501.70  698.728  201.839   14.765  192.957   15.465 8.881577 21.38172 
1 1 1    5   11   14 o  138.388   7.3885  2277.93  240.573  2366.30  340.354  2189.70  340.089  140.571   10.326  135.114   10.748 5.457230 14.90455 
1 1 1    5   11   15 o  202.537   10.805  4910.35  514.919  5038.70  728.337  4782.10  728.075  203.817   15.244  198.382   15.670 5.434708 21.86104 
1 1 1    5   11   16 o  239.460   12.829  6908.80  722.781  7156.20  1022.27  6661.50  1022.06  241.378   18.066  232.483   18.778 8.895554 26.05756 
1 1 1    5   11   17 o  226.372   12.001  6172.17  639.224  6385.50  905.673  5960.40  902.336  228.065   16.938  220.015   17.513 8.050812 24.36406 
1 1 1    5   11   18 o  271.932   14.936  9012.40  955.435  9620.50  1350.25  8402.60  1352.13  277.006   20.794  257.552   22.457 19.45422 30.60613 
1 1 1    5   11   19 o  201.228   10.915  4875.03  516.698  5694.80  730.576  4054.60  730.867  216.032   14.404  180.786   17.333 35.24590 22.53663 
1 1 1    5   11   20 o  135.309   10.456  2210.60  331.485  2210.60  331.485   0.0000   0.0000  135.309   10.456  ?   ?  0.000000 10.45579 
1 1 1    5   11   21 o  125.562   6.9533  1881.84  205.360  2009.90  289.979  1753.00  290.867  129.163   9.5757  120.377   10.333 8.786171 14.08764 
1 1 1    5   11   22 o  198.892   10.481  4771.03  490.495  4562.10  692.237  4981.70  695.101  192.162   15.384  201.216   14.732 -9.053925 21.30034 
1 1 1    5   11   23 o  139.270   7.7901  2321.98  255.165  2530.90  360.230  2111.60  361.488  144.587   10.625  131.628   11.754 12.95885 15.84454 
1 1 1    5   11   24 o  122.156   6.7217  1782.18  193.145  1865.00  272.771  1698.90  273.527  124.317   9.3606  118.477   9.8667 5.839767 13.60048 
1 1 1    5   11   25 o   99.303   5.4588  1174.96  127.513  1188.30  179.954  1161.50  180.709   99.418   7.7261   98.254   7.8544 1.163910 11.01738 
1 1 1    5   11   26 o   44.373   2.7103  233.725   28.263  218.200   39.938  249.300   40.002   42.727   4.0052   45.728   3.7372 -3.001347 5.477990 
1 1 1    5   11   27 o  127.538   6.9107  1949.60  207.348  1947.60  293.135  1951.60  293.334  126.493   9.8926  126.626   9.8887 -0.1323090 13.98747 
1 1 1    5   11   28 o   72.151   4.0347  619.570   68.465  599.200   96.753  640.000   96.895   70.638   5.8532   73.058   5.6608 -2.419220 8.142743 
1 1 1    5   11   29 o   26.980   2.0072   86.547   12.696   84.700   17.939   88.400   17.972   26.586   2.9048   27.175   2.8427 -0.5894756 4.064343 
1 1 1    5   11   30 o   46.953   2.8419  262.184   31.360  239.000   44.335  285.400   44.365   44.612   4.2604   48.850   3.8779 -4.238266 5.761017 
1 1 1    5   11   31 o   88.264   4.8711  934.688  101.132  965.300  143.167  904.200  142.878   89.015   6.8641   86.045   7.0953 2.969955 9.872108 
1 1 1    5   11   32 f   89.857   4.8582  971.222  102.702  852.600  145.103  1090.30  145.381   83.125   7.4722   94.525   6.5537 -11.40029 9.939070 
1 1 1    5   11   33 o   43.537   2.6973  225.946   27.593  218.700   39.012  233.200   39.034   42.604   3.9218   44.033   3.7911 -1.429066 5.454632 
1 1 1    5   11   34 o   31.192   2.1780  115.950   15.941  116.800   22.550  115.100   22.539   31.158   3.1063   30.924   3.1297 0.2341957 4.409586 
1 1 1    5   11   35 o   51.639   3.0819  319.148   37.408  323.400   52.918  314.900   52.888   51.632   4.3817   50.925   4.4426 0.7067871 6.239889 
1 1 1    5   11   36 o   16.397   1.6922   32.188   6.4577   33.100   9.1964   31.300   9.0700   16.512   2.4314   16.040   2.4743 0.4722118 3.468979 
1 1 1    5   11   37 o  111.981   6.3294  1564.21  166.681  1718.40  235.752  1410.10  235.693  114.629   8.7763  102.514   9.8581 12.11478 13.19868 
1 1 1    5   11   38 o   85.439   4.7819  894.885   96.088  949.900  136.032  840.100  135.747   86.520   6.7108   80.941   7.1767 5.579277 9.825452 
1 1 1    5   11   39 o   72.143   4.1555  635.645   70.492  652.400   99.706  618.900   99.676   71.880   5.9271   69.864   6.1032 2.015175 8.507586 
1 1 1    5   11   40 o   27.491   2.0469   90.548   13.193   92.800   18.667   88.300   18.647   27.634   2.9041   26.927   2.9828 0.7067242 4.163082 
1 1 1    5   11   41 o   67.360   3.8915  559.479   61.634  662.000   87.195  457.100   87.134   72.167   5.1505   58.812   6.3763 13.35439 8.196664 
1 1 1    5   11   42 o   15.643   1.6615   29.460   6.0431   37.000   8.5983   22.100   8.4952   17.454   2.1304   13.282   2.7971 4.172815 3.515977 
1 1 1    5   11   43 o   14.144   1.6580   24.168   5.4324   26.600   7.7344   21.800   7.6318   14.705   2.3031   13.228   2.5355 1.476509 3.425358 
1 1 1    5   11   44 o   37.620   2.3924  171.436   21.142  203.600   29.953  139.500   29.847   40.647   3.1452   33.236   3.8758 7.411579 4.991414 
1 1 1    5   11   45 o   18.121   1.7130   39.578   7.2434   47.500   10.291   31.800   10.197   19.733   2.2487   15.939   2.8119 3.793778 3.600479 
1 1 1    5   11   46 o   27.672   2.0357   92.550   13.209  109.500   18.708   75.700   18.653   29.870   2.6808   24.544   3.3021 5.325758 4.253310 
1 1 1    5   11   47 o   20.404   1.8249   50.398   8.6996   53.400   12.307   47.400   12.299   20.767   2.5641   19.481   2.7500 1.286076 3.759974 
1 1 1    5   11   48 o   11.407   1.6308   15.913   4.2675   19.800   6.1481   12.300   5.9283   12.612   2.1410   9.8298   2.5369 2.781898 3.319615 
1 1 1    5   11   49 o   20.852   1.9230   53.114   9.3621   58.100   13.094   47.900   13.391   21.517   2.6321   19.324   3.0345 2.192444 4.017011 
1 1 1    5   11   50 o   13.066   2.5063   21.800   7.4515   21.800   7.4515   0.0000   0.0000   13.066   2.5063  ?   ?  0.000000 2.506310 
1 1 1    5   11   51 o   20.563   2.7393   53.900   12.970   53.900   12.970   0.0000   0.0000   20.563   2.7393  ?   ?  0.000000 2.739299 
1 1 1    5   11   52 o   11.517   2.5202   17.200   6.6635   17.200   6.6635   0.0000   0.0000   11.517   2.5202  ?   ?  0.000000 2.520224 
1 1 1    5   11   53 o   18.433   2.7014   44.300   11.409   44.300   11.409   0.0000   0.0000   18.433   2.7014  ?   ?  0.000000 2.701403 
1 1 1    5   11   54 o   5.4184   2.0240   3.0000   3.4818   3.0000   3.4818   0.0000   0.0000   5.4184   2.0240  ?   ?  0.000000 2.023994 
1 1 1    5   11   55 o   12.533   3.1224   23.100   9.2068   23.100   9.2068   0.0000   0.0000   12.533   3.1224  ?   ?  0.000000 3.122363 
1 1 1    5   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   12    0 o  269.700   20.774  8820.40  1304.95  8820.40  1304.95  8820.40  1304.95  269.700   20.774  269.700   20.774 -0.000000 0.000000 
1 1 1    5   12    1 o   58.251   3.1352  401.970   42.966  310.300   60.655  494.300   60.872   50.981   5.1071   64.556   4.0131 -13.57466 6.495138 
1 1 1    5   12    2 f  384.636   20.477 17844.44  1853.12 18918.60  2622.26 16772.80  2619.17  392.264   28.504  368.236   30.393 24.02798 41.66825 
1 1 1    5   12    3 o  312.616   15.475 11664.32  1142.37  9485.60  1613.73 13852.90  1617.38  278.568   24.791  338.797   20.310 -60.22845 32.04881 
1 1 1    5   12    4 o  338.104   17.893 13732.70  1423.49 12816.80  2012.51 14649.70  2013.73  323.255   26.601  346.567   24.770 -23.31229 36.34799 
1 1 1    5   12    5 o  165.764   8.7248  3264.76  340.310  3490.00  481.585  3040.10  480.958  170.938   12.007  159.334   12.894 11.60410 17.61865 
1 1 1    5   12    6 o  387.277   30.225 18584.20  2742.22 18584.20  2742.22   0.0000   0.0000  387.277   30.225  ?   ?  0.000000 30.22535 
1 1 1    5   12    7 o  187.339   9.9884  4176.04  440.265  4718.80  622.608  3633.20  622.650  198.596   13.354  173.749   15.333 24.84735 20.33328 
1 1 1    5   12    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   12    9 o  434.005   34.566 23824.10  3513.07 23824.10  3513.07   0.0000   0.0000  434.005   34.566  ?   ?  0.000000 34.56567 
1 1 1    5   12   10 o  255.073   13.567  7787.49  814.235  7721.40  1150.12  7853.90  1152.89  252.189   19.464  254.401   19.336 -2.211761 27.43586 
1 1 1    5   12   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   12   12 o  155.768   8.2724  2887.47  303.187  3047.50  428.949  2727.70  428.593  159.474   11.467  150.691   12.148 8.782974 16.70537 
1 1 1    5   12   13 o  188.957   9.9913  4262.34  444.225  4560.40  628.501  3964.80  627.959  194.533   13.771  181.024   14.820 13.50848 20.23073 
1 1 1    5   12   14 o   95.624   5.2240  1085.55  117.511  1067.50  166.206  1103.60  166.167   94.545   7.5064   96.159   7.3742 -1.613693 10.52263 
1 1 1    5   12   15 o   61.468   3.5030  448.117   50.634  469.900   71.662  426.400   71.553   62.821   4.8689   59.796   5.1168 3.024830 7.063100 
1 1 1    5   12   16 o   90.536   4.7336  972.976  100.847  1119.60  142.826  827.200  142.413   96.954   6.2721   83.122   7.3306 13.83185 9.647609 
1 1 1    5   12   17 f  148.095   7.9589  2618.01  277.306  2520.40  392.200  2715.60  392.141  144.416   11.599  150.065   11.146 -5.649826 16.08602 
1 1 1    5   12   18 o  255.047   12.906  7875.40  774.735  6933.80  1092.78  8826.90  1098.52  235.319   19.851  267.332   17.498 -32.01295 26.46254 
1 1 1    5   12   19 o   47.895   2.9321  272.207   33.002  288.700   46.592  255.600   46.752   49.224   4.0442   46.262   4.3301 2.961727 5.924930 
1 1 1    5   12   20 o  322.028   26.855 13713.70  2023.52 13713.70  2023.52   0.0000   0.0000  322.028   26.855  ?   ?  0.000000 26.85540 
1 1 1    5   12   21 o   48.402   2.9098  277.993   33.102  344.500   46.816  211.500   46.811   53.828   3.7058   41.971   4.8100 11.85644 6.072004 
1 1 1    5   12   22 o  152.526   8.5067  2789.94  305.165  3018.30  430.921  2560.20  432.220  157.618   11.661  144.680   12.783 12.93735 17.30231 
1 1 1    5   12   23 o   73.600   4.2192  643.739   73.022  695.800  103.131  591.400  103.406   76.322   5.7649   70.243   6.3012 6.078896 8.540469 
1 1 1    5   12   24 o   40.025   2.6037  190.200   24.475  201.400   34.460  178.800   34.767   41.094   3.5872   38.668   3.8592 2.426174 5.268898 
1 1 1    5   12   25 o  121.939   6.8020  1778.28  195.078  1894.00  275.312  1661.60  276.454  125.151   9.3843  116.953   10.110 8.198425 13.79395 
1 1 1    5   12   26 o   47.412   2.8637  266.897   31.911  264.300   45.103  269.500   45.156   47.041   4.1014   47.510   4.0641 -0.4687119 5.773920 
1 1 1    5   12   27 o   52.157   3.0703  323.131   37.648  305.400   53.213  340.900   53.271   50.520   4.5080   53.433   4.2573 -2.912971 6.200494 
1 1 1    5   12   28 o   41.607   2.6001  205.640   25.417  199.100   35.919  212.200   35.972   40.798   3.7710   42.146   3.6505 -1.348045 5.248540 
1 1 1    5   12   29 o   57.665   3.3523  395.700   45.450  395.500   64.270  395.900   64.283   57.420   4.7835   57.450   4.7820 -0.2947617E-01 6.763836 
1 1 1    5   12   30 o  182.356   10.127  4135.14  434.380  4209.00  614.543  4061.40  614.069  179.158   14.655  175.624   14.949 3.534821 20.93416 
1 1 1    5   12   31 o   31.666   2.1936  119.298   16.302  118.700   23.015  119.900   23.093   31.460   3.1399   31.621   3.1340 -0.1610031 4.436371 
1 1 1    5   12   32 o   77.727   4.3820  725.466   80.101  753.600  113.247  697.300  113.311   78.598   6.1508   75.480   6.4183 3.118095 8.889735 
1 1 1    5   12   33 o   57.092   3.3356  389.794   44.773  384.700   63.283  394.900   63.356   56.336   4.8029   57.102   4.7416 -0.7656708 6.749122 
1 1 1    5   12   34 o   96.001   5.2883  1121.72  119.420  1024.60  168.772  1219.10  169.000   90.008   8.0249   98.785   7.2965 -8.777168 10.84611 
1 1 1    5   12   35 o  114.145   6.3760  1612.23  171.171  1552.80  241.938  1671.80  242.206  109.050   9.4900  113.598   9.1058 -4.547356 13.15204 
1 1 1    5   12   36 o   64.986   3.7100  508.749   56.697  556.700   80.224  460.900   80.138   67.419   5.0764   61.060   5.6211 6.358547 7.574135 
1 1 1    5   12   37 o   23.613   1.8619   66.556   10.298   74.700   14.603   58.500   14.523   24.920   2.5161   21.954   2.8702 2.966255 3.816914 
1 1 1    5   12   38 o   32.417   2.2357  125.651   17.009  128.700   24.049  122.600   24.060   32.608   3.1630   31.797   3.2501 0.8110104 4.535149 
1 1 1    5   12   39 o   39.407   2.5921  186.526   23.986  199.100   33.820  173.800   34.024   40.415   3.5809   37.635   3.8844 2.780746 5.283127 
1 1 1    5   12   40 o   27.080   2.0073   87.877   12.745   96.600   18.047   79.200   18.000   28.227   2.7422   25.449   3.0564 2.777878 4.106213 
1 1 1    5   12   41 o   43.267   2.7153  226.535   27.602  245.800   39.050  207.300   39.020   44.601   3.7424   40.748   4.1114 3.852962 5.559615 
1 1 1    5   12   42 o   20.207   1.8040   49.095   8.5173   50.100   12.073   48.100   12.018   20.226   2.5870   19.798   2.6362 0.4274654 3.693565 
1 1 1    5   12   43 f   15.154   1.6634   27.707   5.8542   31.500   8.3271   24.000   8.2319   16.035   2.2620   13.873   2.6086 2.162025 3.452780 
1 1 1    5   12   44 o   30.781   2.1861  114.497   15.786  120.300   22.331  108.700   22.319   31.216   3.0691   29.582   3.2486 1.634207 4.469131 
1 1 1    5   12   45 o   19.189   1.7125   44.345   7.6781   52.600   10.929   36.300   10.789   20.770   2.2651   17.063   2.7730 3.706293 3.580520 
1 1 1    5   12   46 o   22.014   1.8528   58.522   9.5418   62.900   13.538   54.200   13.451   22.601   2.5831   20.884   2.7979 1.716063 3.807937 
1 1 1    5   12   47 o   26.943   2.0453   88.140   12.916   81.600   18.252   94.700   18.280   25.472   3.0983   27.589   2.8468 -2.117271 4.207571 
1 1 1    5   12   48 o   29.117   2.0693  103.292   14.135  118.400   20.062   88.400   19.918   30.808   2.7879   26.320   3.2757 4.487911 4.301482 
1 1 1    5   12   49 o   8.1476   1.9052   8.3600   3.6000   8.7000   4.7476   7.9000   5.5219   8.2952   2.3285   8.0327   2.5728 0.2625399 3.470025 
1 1 1    5   12   50 o   31.768   3.3861  131.500   25.010  131.500   25.010   0.0000   0.0000   31.768   3.3861  ?   ?  0.000000 3.386114 
1 1 1    5   12   51 o   7.8025   2.2427   7.7000   4.3519   7.7000   4.3519   0.0000   0.0000   7.8025   2.2427  ?   ?  0.000000 2.242710 
1 1 1    5   12   52 o   4.7765   1.8440   1.9000   2.9482   1.9000   2.9482   0.0000   0.0000   4.7765   1.8440  ?   ?  0.000000 1.843991 
1 1 1    5   12   53 o   16.573   2.6569   36.000   10.046   36.000   10.046   0.0000   0.0000   16.573   2.6569  ?   ?  0.000000 2.656940 
1 1 1    5   12   54 o  ?   ?   -5.1000   0.7753  -5.1000   0.7753   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   12   55 o   5.1092   2.0455   2.1000   3.7445   2.1000   3.7445   0.0000   0.0000   5.1092   2.0455  ?   ?  0.000000 2.045467 
1 1 1    5   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13    0 o  223.756   17.231  6056.00  898.030  6056.00  898.030  6056.00  898.030  223.756   17.231  223.756   17.231 0.000000 0.000000 
1 1 1    5   13    1 o  221.751   11.467  5857.13  598.388  6518.10  846.873  5198.10  845.626  233.152   15.470  207.648   17.407 25.50465 23.28757 
1 1 1    5   13    2 o  298.426   15.847 10669.26  1112.73 10995.50  1573.96 10343.30  1573.31  300.860   22.314  291.482   23.046 9.378265 32.07840 
1 1 1    5   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13    4 o  380.340   19.874 17455.50  1778.74 16466.80  2510.54 18452.10  2520.54  364.759   29.397  387.186   27.753 -22.42682 40.42746 
1 1 1    5   13    5 o  403.913   21.286 19752.90  2023.04 18706.90  2856.65 20805.30  2865.38  387.386   31.501  409.755   29.818 -22.36914 43.37597 
1 1 1    5   13    6 o  338.662   17.784 13800.41  1417.20 13188.10  2000.82 14416.90  2007.63  327.530   26.086  343.098   24.951 -15.56784 36.09763 
1 1 1    5   13    7 o  275.772   14.911  9112.97  967.416 10004.90  1367.39  8219.10  1368.88  287.237   20.290  259.379   22.575 27.85788 30.35314 
1 1 1    5   13    8 o  179.627   8.6884  3826.12  368.530  3238.20  519.178  4423.20  523.206  164.212   13.509  192.476   11.565 -28.26353 17.78322 
1 1 1    5   13    9 o  385.718   30.512 18682.00  2756.43 18682.00  2756.43   0.0000   0.0000  385.718   30.512  ?   ?  0.000000 30.51227 
1 1 1    5   13   10 o  254.707   13.758  7781.66  824.439  8354.40  1165.27  7207.60  1166.60  262.137   18.953  242.766   20.543 19.37086 27.95039 
1 1 1    5   13   11 o  294.377   15.913 10458.37  1102.06 10869.10  1557.48 10046.50  1559.62  297.028   22.370  284.962   23.384 12.06628 32.36058 
1 1 1    5   13   12 o  266.607   14.017  8553.97  879.344  9307.80  1244.35  7802.00  1242.81  275.889   19.221  251.575   21.116 24.31429 28.55377 
1 1 1    5   13   13 o  254.128   13.542  7776.71  809.722  7442.40  1144.70  8111.50  1145.54  245.840   19.889  257.169   18.998 -11.32857 27.50474 
1 1 1    5   13   14 o   11.563   1.7938   16.166   4.7391   10.900   6.8498   21.000   6.5635   9.5463   2.8336   13.158   2.1894 -3.611257 3.580873 
1 1 1    5   13   15 o  327.955   17.953 13210.52  1385.01 13124.10  1961.76 13296.40  1955.65  320.033   26.188  322.404   25.907 -2.371002 36.83731 
1 1 1    5   13   16 o  186.427   9.9889  4166.99  438.134  4237.10  619.679  4096.90  619.553  186.571   14.172  183.342   14.427 3.229126 20.22305 
1 1 1    5   13   17 o  225.113   12.107  6118.74  641.228  6056.70  906.743  6180.80  906.923  221.337   17.491  223.711   17.303 -2.374008 24.60331 
1 1 1    5   13   18 o  111.096   6.1687  1469.82  161.191  1653.90  227.763  1285.10  228.155  117.487   8.2624  103.236   9.4645 14.25119 12.56360 
1 1 1    5   13   19 o   64.001   3.6740  486.225   55.292  554.100   78.180  418.300   78.209   68.206   4.8865   59.106   5.6732 9.099873 7.487586 
1 1 1    5   13   20 f   16.351   2.4561   32.300   9.1900   32.300   9.1900   0.0000   0.0000   16.351   2.4561  ?   ?  0.000000 2.456117 
1 1 1    5   13   21 o  175.822   9.3371  3714.55  386.268  3608.10  545.112  3821.90  547.425  171.635   13.560  176.837   13.205 -5.201599 18.92753 
1 1 1    5   13   22 o  135.446   7.5491  2194.63  240.488  2491.40  339.801  1896.80  340.403  143.632   10.083  124.729   11.694 18.90298 15.44050 
1 1 1    5   13   23 o  119.322   6.7092  1700.61  188.271  1835.90  265.660  1564.10  266.856  123.388   9.1836  113.593   10.052 9.794739 13.61579 
1 1 1    5   13   24 o  187.778   10.527  4271.45  464.912  4647.10  656.524  3893.60  658.450  193.759   14.453  176.364   15.984 17.39481 21.54979 
1 1 1    5   13   25 o   92.842   5.0910  1026.65  111.187  1019.40  156.723  1034.00  157.767   92.099   7.2653   92.762   7.2605 -0.6623611 10.27131 
1 1 1    5   13   26 o  248.766   13.682  7676.70  800.604  7606.10  1129.84  7747.90  1134.62  241.145   20.023  243.530   19.904 -2.385757 28.23290 
1 1 1    5   13   27 o   60.297   3.4886  432.259   49.459  434.800   69.822  429.700   70.071   60.264   4.9502   59.899   4.9997 0.3651581 7.035715 
1 1 1    5   13   28 o   68.555   3.8706  559.679   62.403  516.900   88.229  602.500   88.273   65.528   5.7604   70.879   5.3128 -5.350708 7.836346 
1 1 1    5   13   29 o   55.390   3.2498  365.155   42.320  371.100   59.824  359.200   59.875   55.621   4.5960   54.700   4.6806 0.9212036 6.559814 
1 1 1    5   13   30 o   70.614   4.0124  595.718   66.629  581.200   94.286  610.200   94.170   69.300   5.8155   71.065   5.6586 -1.764374 8.114161 
1 1 1    5   13   31 o   19.083   1.7640   43.450   7.8590   43.600   11.126   43.300   11.102   19.010   2.5422   18.942   2.5466 0.6749344E-01 3.598354 
1 1 1    5   13   32 o   41.917   2.5862  209.295   25.473  188.100   35.978  230.600   36.071   39.496   3.9090   43.849   3.5131 -4.353024 5.255671 
1 1 1    5   13   33 o   60.704   3.5302  441.511   50.386  448.500   71.198  434.500   71.314   60.744   5.0084   59.749   5.1035 0.9944382 7.150465 
1 1 1    5   13   34 o  107.548   6.0086  1420.72  151.985  1404.60  214.774  1436.90  215.104  104.690   8.7686  105.985   8.6708 -1.294861 12.33171 
1 1 1    5   13   35 o   61.812   3.6752  459.746   53.402  485.600   75.312  433.600   75.735   62.993   5.1069   59.352   5.4652 3.641678 7.479943 
1 1 1    5   13   36 o  130.997   7.4561  2177.71  229.687  2109.50  324.623  2246.10  325.031  123.637   11.242  128.241   10.835 -4.603821 15.61320 
1 1 1    5   13   37 o   86.119   4.8955  909.108   99.142  935.900  140.187  882.300  140.229   85.787   6.9808   83.077   7.2200 2.710419 10.04289 
1 1 1    5   13   38 o   25.723   1.9503   79.069   11.759   89.200   16.655   69.000   16.604   27.207   2.6250   23.811   3.0210 3.396053 4.002125 
1 1 1    5   13   39 o   18.573   1.7464   41.342   7.5693   42.400   10.743   40.300   10.666   18.670   2.4996   18.182   2.5548 0.4884491 3.574207 
1 1 1    5   13   40 o   48.677   2.9488  286.866   33.735  325.600   47.730  248.200   47.688   51.371   3.9654   44.475   4.6076 6.895359 6.079043 
1 1 1    5   13   41 f   57.427   3.3956  403.956   45.841  454.300   64.858  353.700   64.801   60.019   4.6115   52.380   5.3126 7.639439 7.034923 
1 1 1    5   13   42 o   14.470   1.6659   25.276   5.5884   30.900   7.9198   19.700   7.8866   15.912   2.1640   12.524   2.7426 3.387104 3.493538 
1 1 1    5   13   43 o   17.843   1.7201   38.345   7.1577   44.100   10.172   32.700   10.074   19.006   2.3143   16.215   2.7279 2.790600 3.577305 
1 1 1    5   13   44 o   12.582   1.6526   19.209   4.7912   23.400   6.8099   15.100   6.7423   13.793   2.1619   10.945   2.6394 2.848284 3.411746 
1 1 1    5   13   45 o   17.203   1.6673   35.679   6.6879   44.500   9.5247   27.100   9.3930   19.112   2.1476   14.678   2.8124 4.434452 3.538673 
1 1 1    5   13   46 o   33.090   2.2758  133.114   17.674  148.500   25.025  117.800   24.966   34.546   3.1007   30.509   3.5306 4.036848 4.698879 
1 1 1    5   13   47 o   17.369   1.7389   36.574   7.0361   38.100   10.039   35.100   9.8646   17.497   2.5009   16.756   2.5756 0.7410622 3.589949 
1 1 1    5   13   48 o   10.734   1.9293   14.328   4.7103   19.000   6.3467   8.6000   7.0280   12.303   2.2682   8.5474   2.9096 3.755604 3.689233 
1 1 1    5   13   49 o   27.437   2.2154   92.736   14.231  115.000   20.021   70.000   20.232   30.182   2.8426   22.850   3.8890 7.332382 4.817092 
1 1 1    5   13   50 o   30.890   3.3264  124.100   23.880  124.100   23.880   0.0000   0.0000   30.890   3.3264  ?   ?  0.000000 3.326381 
1 1 1    5   13   51 o   11.366   2.5197   16.700   6.5851   16.700   6.5851   0.0000   0.0000   11.366   2.5197  ?   ?  0.000000 2.519724 
1 1 1    5   13   52 f   12.275   2.5397   19.600   7.1188   19.600   7.1188   0.0000   0.0000   12.275   2.5397  ?   ?  0.000000 2.539722 
1 1 1    5   13   53 o   13.599   2.5586   24.400   7.9144   24.400   7.9144   0.0000   0.0000   13.599   2.5586  ?   ?  0.000000 2.558580 
1 1 1    5   13   54 o   12.137   2.7509   20.400   7.7020   20.400   7.7020   0.0000   0.0000   12.137   2.7509  ?   ?  0.000000 2.750936 
1 1 1    5   13   55 o   13.575   3.1031   27.200   9.7305   27.200   9.7305   0.0000   0.0000   13.575   3.1031  ?   ?  0.000000 3.103134 
1 1 1    5   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   14    0 o  432.394   33.854 23105.30  3407.87 23105.30  3407.87 23105.30  3407.87  432.394   33.854  432.394   33.854 0.000000 0.000000 
1 1 1    5   14    1 o  210.001   11.067  5253.77  546.848  4939.40  773.011  5568.70  773.708  202.536   16.301  215.363   15.314 -12.82692 22.36599 
1 1 1    5   14    2 o  373.966   19.033 16861.70  1675.20 19494.20  2373.67 14249.40  2364.55  399.059   25.321  338.546   29.885 60.51257 39.16931 
1 1 1    5   14    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   14    4 o  240.032   12.651  6879.44  714.508  6354.00  1010.12  7405.60  1010.82  229.084   18.840  247.867   17.380 -18.78339 25.63215 
1 1 1    5   14    5 o  247.661   13.024  7329.59  758.983  7097.30  1070.93  7564.00  1075.82  242.104   18.882  250.153   18.340 -8.048920 26.32280 
1 1 1    5   14    6 o  435.919   34.874 24138.50  3559.77 24138.50  3559.77   0.0000   0.0000  435.919   34.874  ?   ?  0.000000 34.87431 
1 1 1    5   14    7 o  401.121   21.148 19572.47  1996.03 21829.70  2826.02 17325.50  2819.60  418.555   28.768  369.923   32.612 48.63135 43.48726 
1 1 1    5   14    8 o  212.800   10.511  5386.25  528.174  4704.20  744.461  6077.50  749.465  197.270   16.122  224.938   14.183 -27.66772 21.47275 
1 1 1    5   14    9 o  119.741   6.1802  1702.07  174.150  1528.50  245.562  1877.70  247.015  113.050   9.2806  125.510   8.3827 -12.45998 12.50600 
1 1 1    5   14   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   14   11 o  105.869   5.8264  1331.23  145.097  1399.20  204.921  1262.90  205.475  108.260   8.0741  102.750   8.5462 5.509972 11.75709 
1 1 1    5   14   12 o  313.435   16.473 11930.48  1214.93 12681.60  1721.99 11186.00  1714.37  319.043   23.011  298.484   24.541 20.55923 33.64183 
1 1 1    5   14   13 o  246.057   12.102  7259.25  703.173  8246.50  997.851  6285.40  991.057  260.166   16.325  225.869   18.751 34.29691 24.86185 
1 1 1    5   14   14 o   71.240   3.9494  602.141   66.178  634.300   93.750  570.200   93.430   72.965   5.4813   69.121   5.7772 3.843575 7.963697 
1 1 1    5   14   15 o  194.543   10.409  4542.13  476.443  4683.20  673.956  4401.20  673.628  196.008   14.667  189.781   15.158 6.226990 21.09271 
1 1 1    5   14   16 o  308.073   16.724 11656.91  1212.03 12135.10  1714.59 11179.30  1713.55  308.433   23.724  294.940   24.835 13.49344 34.34513 
1 1 1    5   14   17 o  211.992   10.852  5409.64  541.413  6252.60  766.430  4570.00  764.919  226.336   14.415  192.093   17.040 34.24271 22.31967 
1 1 1    5   14   18 o  113.145   5.9567  1523.87  158.586  1688.80  224.498  1359.60  224.052  118.741   8.0543  106.280   9.0126 12.46075 12.08708 
1 1 1    5   14   19 o   83.929   4.5683  836.954   90.197  981.400  127.622  692.800  127.493   90.713   5.9917   75.952   7.1944 14.76069 9.362664 
1 1 1    5   14   20 o   63.603   3.6632  480.295   54.786  548.700   77.454  411.800   77.504   67.863   4.8656   58.630   5.6689 9.233528 7.470632 
1 1 1    5   14   21 o  148.519   8.1159  2642.03  283.553  3119.90  400.868  2163.50  401.141  160.640   10.628  132.850   12.952 27.78981 16.75418 
1 1 1    5   14   22 o   24.128   1.9957   69.253   11.268   78.300   15.847   60.000   16.027   25.598   2.6605   22.306   3.1288 3.291618 4.107000 
1 1 1    5   14   23 o   93.476   5.2583  1040.59  115.596  1091.10  163.017  989.500  163.943   95.355   7.2951   90.688   7.7294 4.666504 10.62836 
1 1 1    5   14   24 o  158.555   8.8736  3027.12  330.900  3314.40  467.255  2738.10  468.675  164.582   12.108  148.882   13.477 15.69974 18.11732 
1 1 1    5   14   25 o   24.492   1.9295   71.328   11.069   69.500   15.563   73.200   15.746   24.079   2.7888   24.726   2.7431 -0.6467361 3.911764 
1 1 1    5   14   26 o   72.669   4.1801  628.561   71.427  663.700  100.783  593.100  101.244   74.412   5.7810   70.244   6.1662 4.168259 8.452332 
1 1 1    5   14   27 o  118.731   6.7024  1694.33  187.143  1877.90  264.281  1509.70  265.042  124.125   9.0797  110.741   10.252 13.38425 13.69452 
1 1 1    5   14   28 o   14.346   1.6606   24.650   5.5214   18.600   7.8085   30.700   7.8085   12.291   2.7582   15.971   2.1231 -3.680075 3.480636 
1 1 1    5   14   29 f   44.800   2.7511  238.732   28.963  236.000   40.824  241.500   41.097   44.370   3.9373   44.891   3.9161 -0.5215759 5.553179 
1 1 1    5   14   30 f  196.483   10.857  4888.71  501.753  4525.30  709.016  5253.30  710.158  180.802   16.799  197.190   15.373 -16.38837 22.77126 
1 1 1    5   14   31 o   85.646   4.7524  882.557   95.735  925.300  135.458  839.900  135.321   86.937   6.6488   82.647   6.9996 4.290222 9.654037 
1 1 1    5   14   32 o   53.867   3.1767  346.651   40.229  341.000   56.650  352.400   57.138   53.097   4.5626   53.994   4.5231 -0.8970680 6.424604 
1 1 1    5   14   33 o   12.239   1.6331   18.045   4.6022   18.800   6.5314   17.300   6.4858   12.388   2.3180   11.861   2.3982 0.5273046 3.335307 
1 1 1    5   14   34 o   18.037   1.7269   38.887   7.2656   30.900   10.267   46.900   10.283   15.874   2.8435   19.752   2.2447 -3.877851 3.622713 
1 1 1    5   14   35 o   36.108   2.3743  155.639   20.132  148.500   28.449  162.800   28.492   35.044   3.4841   36.746   3.3194 -1.701977 4.812210 
1 1 1    5   14   36 o   23.766   1.8948   67.427   10.545   76.900   14.931   58.000   14.895   25.289   2.5345   21.843   2.9643 3.445728 3.900076 
1 1 1    5   14   37 o   24.895   1.9523   74.048   11.384   73.000   16.082   75.100   16.118   24.559   2.8246   24.922   2.7866 -0.3631763 3.967824 
1 1 1    5   14   38 o   24.286   1.9110   70.530   10.871   79.800   15.390   61.300   15.357   25.719   2.5685   22.418   2.9744 3.300829 3.929906 
1 1 1    5   14   39 o   31.557   2.1684  119.358   16.060  133.000   22.747  105.800   22.678   33.121   2.9390   29.400   3.3250 3.721458 4.437681 
1 1 1    5   14   40 o   45.219   2.8087  247.489   29.843  270.300   42.214  224.700   42.194   46.769   3.8568   42.401   4.2724 4.368008 5.755695 
1 1 1    5   14   41 o   12.343   1.5596   18.403   4.4439   25.200   6.3552   11.900   6.2163   14.406   1.9158   9.7695   2.6344 4.636019 3.257352 
1 1 1    5   14   42 o   52.175   3.1879  334.005   39.088  342.700   55.264  325.300   55.294   51.855   4.5596   50.398   4.7004 1.456272 6.548608 
1 1 1    5   14   43 o   8.6222   1.7132   9.1798   3.3652   6.5000   4.8338   11.700   4.6877   7.4403   2.4097   9.6916   2.1083 -2.251334 3.201828 
1 1 1    5   14   44 o   18.126   1.7195   39.594   7.2716   47.500   10.321   31.800   10.247   19.736   2.2551   15.940   2.8257 3.795216 3.615274 
1 1 1    5   14   45 o   5.4331   1.6674   3.5304   2.3438   0.7000   3.3977   6.1000   3.2374   4.6094   1.9091   7.0173   1.9049 -2.407993 2.696903 
1 1 1    5   14   46 o   25.320   1.8271   77.374   10.851  105.600   15.436   49.800   15.256   29.451   2.2362   19.727   3.3977 9.723963 4.067547 
1 1 1    5   14   47 o   12.665   1.6347   19.544   4.7748   26.000   6.8094   13.300   6.6971   14.528   2.0412   10.208   2.7267 4.319870 3.406081 
1 1 1    5   14   48 o   20.906   1.9571   53.392   9.5489   70.300   13.429   36.100   13.581   23.815   2.4217   16.499   3.5881 7.316122 4.328864 
1 1 1    5   14   49 o   3.2643   1.3807   0.1090   1.8345  -0.4000   2.2216   1.2000   3.2524   3.3829   1.4758   4.6748   1.8940 -1.291896 2.401086 
1 1 1    5   14   50 o   17.181   2.5970   37.500   10.207   37.500   10.207   0.0000   0.0000   17.181   2.5970  ?   ?  0.000000 2.596975 
1 1 1    5   14   51 o   11.750   2.4692   17.800   6.6332   17.800   6.6332   0.0000   0.0000   11.750   2.4692  ?   ?  0.000000 2.469190 
1 1 1    5   14   52 o   18.779   2.7141   45.800   11.686   45.800   11.686   0.0000   0.0000   18.779   2.7141  ?   ?  0.000000 2.714067 
1 1 1    5   14   53 o   17.594   2.7050   41.200   10.878   41.200   10.878   0.0000   0.0000   17.594   2.7050  ?   ?  0.000000 2.705009 
1 1 1    5   14   54 o   4.2661   1.7634   0.9000   2.8904   0.9000   2.8904   0.0000   0.0000   4.2661   1.7634  ?   ?  0.000000 1.763391 
1 1 1    5   14   55 o   11.283   2.9670   18.800   8.0099   18.800   8.0099   0.0000   0.0000   11.283   2.9670  ?   ?  0.000000 2.966957 
1 1 1    5   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   14   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   15    0 o  168.098   12.994  3411.30  508.710  3411.30  508.710  3411.30  508.710  168.098   12.994  168.098   12.994 0.000000 0.000000 
1 1 1    5   15    1 o  294.152   15.692 10388.25  1086.06 10428.10  1535.84 10348.40  1536.00  292.222   22.428  291.055   22.524 1.167053 31.78632 
1 1 1    5   15    2 o  157.018   8.3562  2930.94  308.714  3052.40  436.693  2809.60  436.482  159.743   11.657  153.132   12.171 6.611008 16.85337 
1 1 1    5   15    3 f  176.620   9.4072  3712.84  390.924  3686.80  552.731  3738.90  552.971  175.266   13.458  176.527   13.365 -1.260727 18.96672 
1 1 1    5   15    4 o  263.992   13.816  8347.28  858.263  7941.40  1211.80  8755.80  1215.74  255.389   20.260  268.605   19.296 -13.21565 27.97892 
1 1 1    5   15    5 o  232.764   11.531  6451.93  633.776  5649.50  893.825  7263.30  898.786  215.890   17.688  245.635   15.576 -29.74469 23.56886 
1 1 1    5   15    6 o  167.839   8.7389  3352.35  345.153  4114.50  488.409  2592.00  487.831  185.551   11.200  146.478   14.286 39.07265 18.15233 
1 1 1    5   15    7 o  219.029   10.825  5712.84  559.857  4964.40  789.448  6470.10  794.088  202.358   16.670  231.857   14.578 -29.49899 22.14489 
1 1 1    5   15    8 o  440.731   24.226 24049.17  2511.56 24680.40  3552.54 23418.40  3551.24  436.007   34.795  423.502   35.847 12.50504 49.95724 
1 1 1    5   15    9 o  357.289   19.578 15599.79  1645.51 16201.70  2325.00 14995.70  2329.22  358.185   27.704  343.482   28.988 14.70313 40.09767 
1 1 1    5   15   10 o  218.911   11.699  5744.10  602.573  5412.50  851.914  6076.10  852.420  210.619   17.281  223.638   16.253 -13.01836 23.72336 
1 1 1    5   15   11 o  436.869   23.153 23789.72  2379.94 21737.20  3358.31 25860.50  3373.21  403.390   35.622  444.624   32.350 -41.23392 48.11921 
1 1 1    5   15   12 o  118.950   6.4090  1682.82  179.355  1647.00  253.540  1718.70  253.752  117.213   9.2351  119.790   9.0373 -2.577194 12.92126 
1 1 1    5   15   13 o  152.702   8.1195  2782.22  291.723  2950.80  412.776  2614.00  412.342  156.538   11.242  147.089   11.976 9.449112 16.42550 
1 1 1    5   15   14 o  119.892   6.4776  1711.05  182.705  1765.10  258.387  1657.00  258.379  121.307   9.0864  117.448   9.3951 3.858925 13.07019 
1 1 1    5   15   15 o   55.711   3.2124  368.178   42.082  398.000   59.585  338.500   59.441   57.819   4.3971   53.251   4.7780 4.568272 6.493395 
1 1 1    5   15   16 o  118.790   6.3089  1680.24  176.335  1832.30  249.552  1528.60  249.200  123.631   8.6017  112.682   9.4528 10.94861 12.78069 
1 1 1    5   15   17 f  178.917   9.5958  3843.11  403.933  3666.50  571.182  4019.80  571.314  173.096   14.097  181.585   13.419 -8.488068 19.46236 
1 1 1    5   15   18 o  173.500   9.2788  3612.99  378.770  3868.70  535.774  3357.50  535.549  178.260   12.814  165.592   13.822 12.66800 18.84806 
1 1 1    5   15   19 o  222.561   12.205  6009.93  638.974  6622.00  903.183  5396.60  904.109  231.022   16.668  207.161   18.683 23.86162 25.03767 
1 1 1    5   15   20 o  169.198   9.2444  3439.74  367.949  3812.20  520.083  3066.50  520.633  176.894   12.532  157.898   14.112 18.99532 18.87332 
1 1 1    5   15   21 o   78.421   4.2719  730.651   78.810  928.700  111.510  533.000  111.398   88.298   5.3737   66.498   7.2098 21.80017 8.992089 
1 1 1    5   15   22 o   49.617   2.9929  292.227   34.902  317.500   49.332  266.900   49.385   51.614   4.0810   47.244   4.4803 4.370056 6.060337 
1 1 1    5   15   23 f  213.722   11.819  5565.39  594.147  5813.80  839.085  5315.60  841.422  215.245   16.638  205.097   17.542 10.14734 24.17760 
1 1 1    5   15   24 o   85.343   4.7994  867.239   96.328  976.100  136.142  758.100  136.315   90.270   6.4288   79.305   7.3632 10.96564 9.774762 
1 1 1    5   15   25 o   88.478   4.9887  933.212  103.803  987.500  146.515  878.500  147.086   90.637   6.8974   85.349   7.3705 5.288361 10.09444 
1 1 1    5   15   26 o  190.464   10.570  4442.58  473.519  4614.00  668.821  4270.30  670.497  190.744   14.969  182.860   15.680 7.883591 21.67787 
1 1 1    5   15   27 o  106.785   5.9449  1368.08  149.311  1407.60  210.542  1328.10  211.780  107.499   8.3599  104.278   8.6795 3.221504 12.05075 
1 1 1    5   15   28 o   37.467   2.4075  166.852   21.188  160.800   29.847  173.000   30.082   36.641   3.4919   38.033   3.3849 -1.392227 4.863166 
1 1 1    5   15   29 o   70.860   5.7587  607.300   95.525  607.300   95.525   0.0000   0.0000   70.860   5.7587  ?   ?  0.000000 5.758713 
1 1 1    5   15   30 o   59.870   3.4814  427.964   49.007  435.000   69.236  420.900   69.375   60.032   4.9276   59.019   5.0258 1.013535 7.038484 
1 1 1    5   15   31 o   35.373   2.3360  148.984   19.402  159.000   27.461  139.000   27.416   36.413   3.2272   33.985   3.4648 2.428326 4.734976 
1 1 1    5   15   32 o   71.957   4.0709  622.426   68.888  608.300   97.340  636.600   97.505   70.447   5.9060   72.136   5.7726 -1.688385 8.258526 
1 1 1    5   15   33 o   33.135   2.2578  130.898   17.561  130.100   24.797  131.700   24.872   32.866   3.2372   33.071   3.2260 -0.2053146 4.570171 
1 1 1    5   15   34 o   60.150   3.4996  434.547   49.492  432.400   69.939  436.700   70.046   59.471   5.0274   59.775   5.0087 -0.3041763 7.096570 
1 1 1    5   15   35 o   59.037   3.4224  418.960   47.506  407.200   67.070  430.800   67.297   57.633   4.9771   59.347   4.8444 -1.713787 6.945481 
1 1 1    5   15   36 o   27.131   2.0287   87.898   12.903   88.700   18.270   87.100   18.225   27.098   2.9002   26.845   2.9221 0.2530804 4.117051 
1 1 1    5   15   37 o   46.840   2.8659  263.440   31.546  274.800   44.633  252.100   44.592   47.468   4.0197   45.382   4.2090 2.086079 5.820099 
1 1 1    5   15   38 o   28.430   2.0710   96.738   13.807   93.300   19.493  100.200   19.561   27.704   3.0290   28.748   2.9221 -1.044533 4.208745 
1 1 1    5   15   39 f   56.500   3.3315  388.156   44.251  434.700   62.611  341.700   62.551   59.100   4.5207   51.953   5.1673 7.146496 6.865691 
1 1 1    5   15   40 o   25.412   1.9479   77.511   11.599   86.700   16.439   68.400   16.369   26.710   2.6411   23.590   3.0069 3.119888 4.002120 
1 1 1    5   15   41 o   12.725   1.6395   19.595   4.8117   25.300   6.8379   14.000   6.7720   14.397   2.0709   10.565   2.7033 3.832099 3.405399 
1 1 1    5   15   42 o   12.255   1.6530   18.223   4.6616   19.900   6.6469   16.600   6.5394   12.674   2.3060   11.518   2.4779 1.155891 3.384916 
1 1 1    5   15   43 o   54.285   3.3276  363.929   42.449  401.000   60.008  326.800   60.055   55.916   4.5851   49.920   5.1695 5.996017 6.909940 
1 1 1    5   15   44 f   5.0225   1.5907   2.9615   2.1153   4.2000   3.1136   1.9000   2.8826   5.9969   1.9331   4.7899   1.8298 1.206955 2.661833 
1 1 1    5   15   45 o   26.046   1.9512   81.920   11.913   96.700   16.894   67.300   16.803   28.088   2.5758   23.171   3.1527 4.916815 4.071157 
1 1 1    5   15   46 o   41.645   2.6647  213.311   26.067  233.900   36.900  192.800   36.829   42.856   3.6820   38.544   4.1098 4.311253 5.517963 
1 1 1    5   15   47 o   11.920   1.6696   17.380   4.5708   20.400   6.4855   14.400   6.4429   12.779   2.2303   10.621   2.5918 2.158358 3.419307 
1 1 1    5   15   48 o   6.6133   1.8484   5.4460   2.9984   4.2000   3.7672   7.6000   4.9530   6.1411   2.1287   7.8431   2.4267 -1.701981 3.228024 
1 1 1    5   15   49 o   11.954   1.8021   17.668   4.9292   17.100   6.5677   18.400   7.4588   11.551   2.4819   11.919   2.7112 -0.3686218 3.675642 
1 1 1    5   15   50 f   30.184   3.2834  118.500   23.025  118.500   23.025   0.0000   0.0000   30.184   3.2834  ?   ?  0.000000 3.283450 
1 1 1    5   15   51 o   15.232   2.5769   29.800   8.9379   29.800   8.9379   0.0000   0.0000   15.232   2.5769  ?   ?  0.000000 2.576900 
1 1 1    5   15   52 o   5.0990   1.8862   2.6000   3.0093   2.6000   3.0093   0.0000   0.0000   5.0990   1.8862  ?   ?  0.000000 1.886181 
1 1 1    5   15   53 o   22.028   2.9344   66.100   14.884   66.100   14.884   0.0000   0.0000   22.028   2.9344  ?   ?  0.000000 2.934362 
1 1 1    5   15   54 o   18.036   2.8867   45.700   11.880   45.700   11.880   0.0000   0.0000   18.036   2.8867  ?   ?  0.000000 2.886658 
1 1 1    5   15   55 o   6.3156   2.5732   3.6000   6.0433   3.6000   6.0433   0.0000   0.0000   6.3156   2.5732  ?   ?  0.000000 2.573225 
1 1 1    5   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16    0 o  251.852   19.475  7716.70  1142.26  7716.70  1142.26  7716.70  1142.26  251.852   19.475  251.852   19.475 -0.000000 0.000000 
1 1 1    5   16    1 f  150.016   7.4335  2667.18  263.326  2218.70  371.770  3118.70  373.032  135.959   11.694  161.700   9.8160 -25.74127 15.26746 
1 1 1    5   16    2 o  390.192   21.029 18577.71  1930.40 18849.00  2734.27 18308.10  2725.75  386.516   30.198  380.588   30.588 5.928680 42.98302 
1 1 1    5   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   16    4 o  122.798   6.7406  1791.70  194.711  1901.30  274.931  1681.40  275.797  126.162   9.2940  118.495   9.9487 7.667091 13.61447 
1 1 1    5   16    5 o  129.684   6.0205  1991.18  184.365  1559.70  259.345  2432.00  262.139  114.118   9.7166  142.979   7.7937 -28.86022 12.45608 
1 1 1    5   16    6 o  287.834   14.033  9936.66  953.821  8498.60  1344.53 11393.60  1353.33  262.475   21.893  305.783   18.834 -43.30811 28.87937 
1 1 1    5   16    7 o  329.418   17.714 13188.03  1372.89 12990.90  1939.23 13386.10  1943.89  321.936   25.724  327.080   25.367 -5.143646 36.12760 
1 1 1    5   16    8 o  327.269   15.664 12925.62  1210.49  9835.00  1706.30 16057.10  1717.54  279.107   26.196  361.686   20.191 -82.57925 33.07405 
1 1 1    5   16    9 o  233.690   12.676  6566.61  696.896  7280.60  985.104  5851.30  986.016  244.295   17.186  217.925   19.363 26.37064 25.88967 
1 1 1    5   16   10 o  101.559   5.3802  1224.86  128.566  1497.50  181.952  953.000  181.689  112.131   6.9053   89.067   8.7517 23.06399 11.14791 
1 1 1    5   16   11 o  160.246   8.5778  3065.56  323.405  3037.20  456.624  3094.10  458.108  158.587   12.289  160.097   12.210 -1.509644 17.32371 
1 1 1    5   16   12 o  249.128   13.208  7502.22  774.242  6666.60  1094.50  8339.20  1095.39  231.195   20.252  260.195   17.938 -29.00000 27.05409 
1 1 1    5   16   13 o  154.100   8.2389  2835.92  298.715  2711.70  422.306  2960.30  422.589  149.710   12.048  156.623   11.507 -6.913208 16.65991 
1 1 1    5   16   14 o   89.650   4.6988  954.332   99.125  1147.70  140.355  761.900  140.014   98.163   6.0850   79.681   7.5307 18.48257 9.681912 
1 1 1    5   16   15 o  216.568   11.359  5655.15  578.866  6232.60  819.314  5079.60  817.968  225.414   15.486  202.467   17.274 22.94725 23.19958 
1 1 1    5   16   16 o  116.457   6.0680  1614.51  166.290  1850.90  235.439  1379.20  234.902  124.340   8.0622  106.971   9.3947 17.36922 12.37976 
1 1 1    5   16   17 o   38.212   2.4411  173.267   21.912  184.300   31.035  162.300   30.942   39.329   3.3744   36.863   3.6006 2.466061 4.934688 
1 1 1    5   16   18 o  118.559   6.2835  1675.00  175.285  1830.10  248.088  1520.40  247.692  123.470   8.5620  112.279   9.4296 11.19130 12.73672 
1 1 1    5   16   19 o  127.205   6.5306  1929.34  195.501  2229.60  276.875  1630.80  276.086  136.286   8.6482  116.081   10.175 20.20453 13.35358 
1 1 1    5   16   20 o  207.037   11.235  5188.75  547.210  6105.20  773.808  4272.00  773.934  222.660   14.802  184.239   18.020 38.42096 23.31980 
1 1 1    5   16   21 o  116.350   6.2309  1614.62  170.568  2025.50  241.286  1204.20  241.153  129.979   7.8988   99.460   10.423 30.51881 13.07769 
1 1 1    5   16   22 o  136.474   7.5018  2230.85  240.828  2496.10  340.360  1964.90  340.804  143.574   10.104  126.818   11.506 16.75578 15.31233 
1 1 1    5   16   23 o  177.137   9.0964  3782.41  379.205  4728.60  536.772  2839.70  535.783  196.880   11.597  150.560   15.282 46.31979 19.18410 
1 1 1    5   16   24 o  109.945   6.1517  1445.14  159.070  1594.30  224.702  1295.30  225.217  114.917   8.3373  103.221   9.3412 11.69587 12.52072 
1 1 1    5   16   25 f  177.404   14.149  3952.70  587.807  3952.70  587.807   0.0000   0.0000  177.404   14.149  ?   ?  0.000000 14.14933 
1 1 1    5   16   26 o   51.724   3.1434  318.118   38.212  354.800   53.953  281.200   54.126   54.488   4.2263   48.376   4.8017 6.111847 6.396669 
1 1 1    5   16   27 o  184.207   10.324  4193.88  447.247  4294.00  630.987  4092.80  634.029  182.209   14.793  177.350   15.289 4.858810 21.27405 
1 1 1    5   16   28 o  127.740   6.8780  1977.57  206.702  1895.80  291.553  2060.20  293.095  123.246   10.107  128.770   9.7105 -5.523926 14.01587 
1 1 1    5   16   29 f   28.167   2.0503   94.402   13.543   91.700   18.990   97.200   19.321   27.641   2.9552   28.473   2.9147 -0.8318863 4.150742 
1 1 1    5   16   30 o  147.277   8.2408  2692.44  285.444  2750.10  403.537  2634.70  403.820  145.125   11.880  141.680   12.189 3.444733 17.02041 
1 1 1    5   16   31 o   12.794   1.6072   19.671   4.7485   22.400   6.7517   17.000   6.6797   13.579   2.1794   11.749   2.4852 1.829328 3.305420 
1 1 1    5   16   32 o   92.788   5.1934  1046.10  113.333  1044.70  160.253  1047.50  160.301   91.352   7.4949   91.481   7.4862 -0.1291275 10.59326 
1 1 1    5   16   33 o   19.225   1.7670   44.149   7.9318   42.400   11.214   45.900   11.221   18.706   2.6097   19.497   2.4945 -0.7907505 3.610190 
1 1 1    5   16   34 o   37.265   2.4296  165.796   21.263  186.800   30.073  144.800   30.068   39.398   3.2619   34.541   3.7465 4.857029 4.967507 
1 1 1    5   16   35 o   24.430   1.9387   71.252   11.092   73.500   15.679   69.000   15.694   24.682   2.7363   23.886   2.8381 0.7965984 3.942308 
1 1 1    5   16   36 o   11.846   1.6641   16.960   4.5264   19.200   6.3878   14.700   6.4149   12.519   2.2432   10.890   2.5410 1.629067 3.389546 
1 1 1    5   16   37 f   18.017   1.7434   38.888   7.3244   32.500   10.349   45.300   10.368   16.258   2.7965   19.362   2.3135 -3.104334 3.629398 
1 1 1    5   16   38 o   39.386   2.5507  186.463   23.595  206.300   33.358  166.600   33.379   41.136   3.4664   36.778   3.9031 4.357647 5.220121 
1 1 1    5   16   39 o   22.798   1.8616   62.320   9.9339   72.000   14.071   52.700   14.027   24.380   2.4786   20.699   2.9536 3.680990 3.855787 
1 1 1    5   16   40 o   22.265   1.8726   59.549   9.7536   58.200   13.790   60.900   13.798   21.798   2.7395   22.325   2.6703 -0.5264263 3.825624 
1 1 1    5   16   41 o   19.143   1.7733   44.091   7.9250   50.300   11.216   37.900   11.199   20.314   2.3835   17.482   2.8079 2.832190 3.683131 
1 1 1    5   16   42 o   21.028   1.8142   53.220   8.9203   59.200   12.647   47.300   12.583   22.015   2.4758   19.552   2.8059 2.463110 3.742008 
1 1 1    5   16   43 o   1.6532   0.7970  -1.4504   0.9283   4.4000   1.7908  -3.6000   1.0855   5.9698   1.3066   1.3847   0.6990 4.585077 1.481836 
1 1 1    5   16   44 o   38.890   2.5086  184.004   22.914  200.100   32.452  168.000   32.359   40.037   3.4667   36.456   3.8155 3.581196 5.155175 
1 1 1    5   16   45 o   3.0142   1.2438   0.3083   1.4344   0.7000   2.0078  -0.1000   2.0500   3.6863   1.4900   3.3678   1.4431 0.3184969 2.074286 
1 1 1    5   16   46 o   31.522   2.2214  121.130   16.429  139.500   23.247  102.800   23.222   33.434   2.9756   28.344   3.5473 5.089991 4.630076 
1 1 1    5   16   47 o   33.346   2.3061  136.376   18.048  161.200   25.536  111.600   25.511   35.783   3.0513   29.248   3.7823 6.534174 4.859671 
1 1 1    5   16   48 f   11.045   1.6681   15.011   4.2152   10.900   5.5532   20.600   6.4747   9.2363   2.4897   12.810   2.2210 -3.573265 3.336365 
1 1 1    5   16   49 o   15.248   1.7725   28.506   6.2633   28.600   8.6206   28.400   9.1154   15.004   2.5227   14.881   2.6933 0.1231499 3.690191 
1 1 1    5   16   50 o   16.475   2.5734   34.600   9.6838   34.600   9.6838   0.0000   0.0000   16.475   2.5734  ?   ?  0.000000 2.573359 
1 1 1    5   16   51 o   11.066   2.4641   15.900   6.2737   15.900   6.2737   0.0000   0.0000   11.066   2.4641  ?   ?  0.000000 2.464088 
1 1 1    5   16   52 o   18.978   2.7545   47.500   11.983   47.500   11.983   0.0000   0.0000   18.978   2.7545  ?   ?  0.000000 2.754529 
1 1 1    5   16   53 o   2.7961   1.3079  -2.0000   2.1507  -2.0000   2.1507   0.0000   0.0000   2.7961   1.3079  ?   ?  0.000000 1.307899 
1 1 1    5   16   54 o   11.758   2.6992   19.500   7.3359   19.500   7.3359   0.0000   0.0000   11.758   2.6992  ?   ?  0.000000 2.699172 
1 1 1    5   16   55 o   11.993   2.8893   21.200   8.0853   21.200   8.0853   0.0000   0.0000   11.993   2.8893  ?   ?  0.000000 2.889255 
1 1 1    5   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   17    0 o  238.960   18.516  6953.20  1030.39  6953.20  1030.39  6953.20  1030.39  238.960   18.516  238.960   18.516 -0.000000 0.000000 
1 1 1    5   17    1 o  296.560   14.590 10562.84  1021.71 12652.40  1446.75  8483.90  1443.07  322.113   19.106  261.288   23.645 60.82507 30.39939 
1 1 1    5   17    2 o   37.446   2.5001  166.377   21.979  178.800   30.927  153.700   31.241   38.746   3.4152   35.865   3.7441 2.881149 5.067692 
1 1 1    5   17    3 o   94.881   5.2186  1068.51  116.471  1317.30  164.694  819.600  164.736  105.224   6.6627   82.629   8.5675 22.59498 10.85328 
1 1 1    5   17    4 o  215.241   11.590  5548.56  586.906  6418.40  829.860  4678.10  830.161  230.356   15.344  195.520   18.189 34.83636 23.79687 
1 1 1    5   17    5 o  309.181   16.910 11606.19  1229.87 12204.00  1737.57 11006.00  1741.03  313.000   23.684  296.196   25.129 16.80420 34.53166 
1 1 1    5   17    6 o  178.629   9.3648  3808.45  393.641  3380.00  555.884  4239.40  557.504  167.050   14.228  187.681   12.653 -20.63130 19.04038 
1 1 1    5   17    7 o  176.424   8.0597  3698.55  335.769  2665.80  472.644  4750.80  477.085  148.309   13.649  199.324   10.170 -51.01585 17.02144 
1 1 1    5   17    8 o  302.035   16.379 11103.04  1163.81 11160.50  1643.86 11045.30  1647.90  298.148   23.541  296.448   23.740 1.699524 33.43263 
1 1 1    5   17    9 o  138.815   7.2912  2294.80  238.162  2164.70  335.915  2426.30  337.716  134.142   10.694  142.195   10.124 -8.053314 14.72577 
1 1 1    5   17   10 o  188.457   10.164  4256.45  450.643  4334.90  636.481  4177.60  638.133  188.805   14.384  185.206   14.713 3.598969 20.57590 
1 1 1    5   17   11 o   54.078   3.1862  346.913   40.507  333.400   57.314  360.400   57.258   52.867   4.6379   55.003   4.4465 -2.135845 6.425062 
1 1 1    5   17   12 f  213.403   11.354  5481.74  570.071  5107.00  805.864  5857.10  806.539  203.599   16.915  218.728   15.720 -15.12959 23.09229 
1 1 1    5   17   13 o  190.892   9.2885  4353.15  418.695  5223.70  593.204  3488.90  591.051  207.924   12.135  168.724   14.991 39.19978 19.28686 
1 1 1    5   17   14 o  267.104   14.471  8703.93  909.353  9067.20  1286.14  8340.80  1285.90  268.413   20.446  256.622   21.416 11.79166 29.60857 
1 1 1    5   17   15 f  132.668   6.7416  2097.71  210.505  2459.20  298.107  1738.20  297.292  143.206   8.8591  119.868   10.613 23.33775 13.82442 
1 1 1    5   17   16 o   91.634   4.7395  997.544  102.203  1154.80  144.817  841.500  144.258   98.397   6.2653   83.748   7.3697 14.64861 9.672964 
1 1 1    5   17   17 o   88.751   4.9919  936.721  104.193  1035.00  147.186  838.000  147.517   93.042   6.7450   83.524   7.5614 9.518021 10.13260 
1 1 1    5   17   18 o  147.900   7.0840  2604.66  247.406  3229.10  350.614  1985.40  349.159  163.989   9.0898  127.699   11.709 36.28963 14.82348 
1 1 1    5   17   19 o  117.133   6.2802  1635.77  173.074  1733.00  244.930  1538.80  244.596  120.052   8.6989  112.953   9.2516 7.099205 12.69894 
1 1 1    5   17   20 o  130.302   10.115  2054.60  308.779  2054.60  308.779   0.0000   0.0000  130.302   10.115  ?   ?  0.000000 10.11469 
1 1 1    5   17   21 f   39.814   3.6290  189.200   33.744  189.200   33.744   0.0000   0.0000   39.814   3.6290  ?   ?  0.000000 3.629033 
1 1 1    5   17   22 o   74.972   4.1912  668.223   73.902  850.200  104.521  486.300  104.506   84.444   5.2680   63.451   7.0965 20.99286 8.838096 
1 1 1    5   17   23 o  150.765   8.2556  2736.02  292.790  3164.00  413.938  2307.50  414.199  161.024   10.951  136.469   13.011 24.55431 17.00631 
1 1 1    5   17   24 o  280.899   16.086 10014.21  1062.53 11505.10  1502.09  8521.10  1503.21  292.685   21.892  245.271   26.368 47.41403 34.27192 
1 1 1    5   17   25 o   67.067   3.9059  535.526   61.589  614.500   87.003  456.200   87.197   71.646   5.1775   61.497   6.0845 10.14895 7.989213 
1 1 1    5   17   26 o   96.222   5.4593  1109.32  123.532  1250.20  174.503  967.800  174.898  101.595   7.3231   88.945   8.4278 12.64964 11.16490 
1 1 1    5   17   27 o   58.698   3.4603  410.489   47.750  429.800   67.374  391.000   67.684   59.823   4.8101   56.983   5.0835 2.839523 6.998499 
1 1 1    5   17   28 o  132.217   7.3461  2133.00  228.452  2161.00  322.246  2104.70  323.920  130.909   10.513  129.015   10.730 1.894241 15.02185 
1 1 1    5   17   29 o   84.584   4.7186  859.926   93.871  855.800  132.376  864.100  133.135   83.611   6.7627   84.016   6.7681 -0.4048615 9.567722 
1 1 1    5   17   30 o   28.914   2.0407   99.519   13.844   89.900   19.448  109.400   19.710   27.326   3.0669   30.222   2.7936 -2.895260 4.148470 
1 1 1    5   17   31 o   64.410   3.7238  497.672   56.396  518.500   79.713  476.800   79.798   65.263   5.2161   62.476   5.4640 2.787125 7.554010 
1 1 1    5   17   32 o   78.553   4.4005  745.101   81.297  828.000  115.005  662.300  114.937   82.069   5.9754   72.955   6.7482 9.114220 9.013516 
1 1 1    5   17   33 o   71.865   4.0812  623.178   68.972  609.100   97.464  637.300   97.619   70.216   5.9338   71.904   5.7986 -1.687630 8.296593 
1 1 1    5   17   34 o   59.682   3.4381  428.135   48.248  402.100   68.148  454.300   68.319   57.228   5.0963   60.990   4.7821 -3.761646 6.988549 
1 1 1    5   17   35 o   79.369   4.5196  767.453   84.354  772.300  119.255  762.600  119.335   78.349   6.5047   77.816   6.5555 0.5336456 9.234994 
1 1 1    5   17   36 o  102.623   5.8971  1316.31  142.304  1445.00  201.205  1187.50  201.291  104.916   8.1862   93.850   9.2014 11.06688 12.31580 
1 1 1    5   17   37 f   88.981   5.1412  985.788  107.564  1027.10  152.050  944.400  152.188   88.519   7.3405   84.428   7.7191 4.091400 10.65209 
1 1 1    5   17   38 o   45.206   2.8131  246.653   29.881  248.800   42.233  244.500   42.283   44.900   4.0260   44.486   4.0702 0.4135056 5.725004 
1 1 1    5   17   39 o   24.751   1.9608   73.548   11.366   74.600   16.087   72.500   16.062   24.717   2.8059   24.351   2.8472 0.3662357 3.997390 
1 1 1    5   17   40 o   18.642   1.7672   41.799   7.6866   42.200   10.884   41.400   10.857   18.553   2.5519   18.367   2.5741 0.1859188 3.624666 
1 1 1    5   17   41 o   27.781   2.0834   93.016   13.568  102.500   19.171   83.500   19.204   28.926   2.8435   25.952   3.2016 2.973118 4.281996 
1 1 1    5   17   42 o   38.699   2.4996  181.663   22.720  209.000   32.152  154.400   32.109   41.102   3.3417   34.966   3.9586 6.136250 5.180501 
1 1 1    5   17   43 o   38.633   2.5139  181.376   22.809  196.800   32.281  166.000   32.231   39.749   3.4741   36.288   3.8187 3.460789 5.162535 
1 1 1    5   17   44 o   14.656   1.6413   25.967   5.5826   33.200   7.9413   18.900   7.8494   16.489   2.0862   12.217   2.7831 4.272774 3.478193 
1 1 1    5   17   45 o   34.400   2.2643  143.981   18.290  174.300   25.917  113.900   25.815   37.487   2.9517   29.814   3.7497 7.673147 4.772064 
1 1 1    5   17   46 o   12.193   1.6422   18.138   4.6079   22.400   6.5653   14.000   6.4689   13.439   2.1406   10.477   2.6212 2.961707 3.384237 
1 1 1    5   17   47 o   26.214   2.0974   84.094   12.874   91.800   18.098   76.200   18.318   26.989   2.8845   24.350   3.2683 2.638592 4.359119 
1 1 1    5   17   48 o   12.217   1.7153   18.352   4.8122   17.100   6.6829   19.700   6.9350   11.548   2.5215   12.438   2.4484 -0.8897352 3.514628 
1 1 1    5   17   49 o   22.075   2.7941   62.000   14.238   62.000   14.238   0.0000   0.0000   22.075   2.7941  ?   ?  0.000000 2.794071 
1 1 1    5   17   50 o   19.088   2.6865   46.600   11.774   46.600   11.774   0.0000   0.0000   19.088   2.6865  ?   ?  0.000000 2.686544 
1 1 1    5   17   51 o   16.254   2.6046   34.200   9.6590   34.200   9.6590   0.0000   0.0000   16.254   2.6046  ?   ?  0.000000 2.604569 
1 1 1    5   17   52 o   5.3973   1.9994   3.0000   3.3836   3.0000   3.3836   0.0000   0.0000   5.3973   1.9994  ?   ?  0.000000 1.999360 
1 1 1    5   17   53 o   10.745   2.6931   16.100   6.8196   16.100   6.8196   0.0000   0.0000   10.745   2.6931  ?   ?  0.000000 2.693061 
1 1 1    5   17   54 o   9.3010   2.4992   12.100   5.6063   12.100   5.6063   0.0000   0.0000   9.3010   2.4992  ?   ?  0.000000 2.499170 
1 1 1    5   17   55 o   10.004   3.0442   15.200   7.8339   15.200   7.8339   0.0000   0.0000   10.004   3.0442  ?   ?  0.000000 3.044180 
1 1 1    5   17   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   18    0 o   91.756   7.2970  1015.20  155.803  1015.20  155.803  1015.20  155.803   91.756   7.2970   91.756   7.2970 -0.000000 0.000000 
1 1 1    5   18    1 o  296.254   15.851 10637.87  1104.87 11218.90  1563.10 10057.70  1561.94  300.601   22.177  283.673   23.530 16.92801 32.33428 
1 1 1    5   18    2 o  202.152   10.948  4894.38  520.664  5210.50  735.769  4577.30  736.892  207.284   15.137  193.818   16.251 13.46558 22.20821 
1 1 1    5   18    3 o  234.944   11.831  6622.91  654.258  5571.10  922.696  7686.50  927.846  212.929   18.536  251.668   15.691 -38.73935 24.28570 
1 1 1    5   18    4 o  332.735   18.109 13540.19  1417.48 12865.50  2004.45 14215.10  2004.77  317.741   26.970  335.357   25.507 -17.61542 37.12153 
1 1 1    5   18    5 f  168.673   8.8019  3395.31  349.364  3172.10  492.935  3620.60  495.222  161.993   12.996  173.370   12.174 -11.37729 17.80708 
1 1 1    5   18    6 o  172.220   8.9838  3541.98  364.083  3348.60  513.541  3737.40  516.251  166.352   13.181  176.006   12.503 -9.653366 18.16762 
1 1 1    5   18    7 o   42.172   2.4919  210.862   24.705  185.400   34.679  237.100   35.203   39.415   3.7720   44.658   3.3630 -5.242355 5.053467 
1 1 1    5   18    8 o  227.968   12.407  6265.46  665.348  6682.10  940.197  5847.50  941.693  233.273   17.189  217.472   18.514 15.80092 25.26340 
1 1 1    5   18    9 o   53.475   2.8914  338.959   36.375  281.100   51.057  398.600   51.837   48.526   4.5072   57.927   3.8109 -9.401222 5.902398 
1 1 1    5   18   10 o  173.551   9.3894  3606.50  383.362  3793.40  541.799  3419.10  542.513  176.871   13.065  167.603   13.831 9.268158 19.02617 
1 1 1    5   18   11 o  242.300   12.915  7104.16  736.268  7564.20  1041.74  6645.00  1040.74  247.292   17.962  230.921   19.262 16.37056 26.33751 
1 1 1    5   18   12 o  137.292   7.3736  2248.86  238.175  2295.30  336.973  2202.50  336.688  138.002   10.417  135.109   10.639 2.893967 14.89010 
1 1 1    5   18   13 o  246.741   12.980  7385.45  753.627  8301.10  1066.46  6472.10  1065.12  258.825   17.553  226.740   20.102 32.08565 26.68691 
1 1 1    5   18   14 o   64.106   3.7279  487.892   56.188  538.600   79.352  436.900   79.573   67.223   5.0355   60.424   5.6422 6.799652 7.562460 
1 1 1    5   18   15 o  203.196   10.930  4980.89  522.500  4945.00  737.813  5017.00  740.044  200.207   15.733  201.707   15.660 -1.499847 22.19842 
1 1 1    5   18   16 o  234.559   11.714  6641.98  648.809  7881.60  918.734  5408.70  916.378  253.049   15.449  207.322   18.927 45.72690 24.43180 
1 1 1    5   18   17 o  124.843   6.3519  1857.43  186.637  2119.60  264.436  1597.20  263.455  132.923   8.4689  114.983   9.7965 17.93994 12.94963 
1 1 1    5   18   18 o  130.296   6.8811  2026.61  210.965  2191.40  298.609  1862.40  298.091  134.871   9.4355  124.049   10.269 10.82228 13.94548 
1 1 1    5   18   19 o  124.112   6.0012  1830.90  175.880  2256.80  249.276  1408.70  248.191  137.284   7.7209  107.833   9.8560 29.45058 12.52007 
1 1 1    5   18   20 o  121.164   6.2060  1751.14  176.964  2091.10  250.545  1412.70  249.986  131.986   8.0778  107.899   9.9227 24.08688 12.79491 
1 1 1    5   18   21 o  103.695   5.7941  1282.54  141.308  1427.40  199.608  1137.00  200.072  108.978   7.8085   96.947   8.8366 12.03042 11.79228 
1 1 1    5   18   22 f  114.754   6.3523  1574.46  171.462  1675.80  242.117  1472.50  242.853  117.749   8.7706  110.133   9.4291 7.616409 12.87756 
1 1 1    5   18   23 o  102.988   5.6553  1266.84  137.004  1546.30  193.739  987.300  193.768  113.408   7.2729   89.966   9.2529 23.44157 11.76907 
1 1 1    5   18   24 o   85.050   4.7793  862.880   95.596  1036.30  135.142  689.200  135.244   92.925   6.1943   75.326   7.7122 17.59918 9.891827 
1 1 1    5   18   25 o  167.252   9.1432  3415.71  359.737  3943.60  508.787  2888.00  508.704  177.497   12.213  150.009   14.544 27.48788 18.99177 
1 1 1    5   18   26 o  103.381   5.8054  1284.72  141.146  1344.90  199.164  1224.00  200.061  104.913   8.1021   99.861   8.5670 5.052475 11.79144 
1 1 1    5   18   27 o   72.680   4.1119  631.291   70.280  630.000   99.040  632.600   99.746   72.159   5.8631   72.300   5.8938 -0.1407089 8.313415 
1 1 1    5   18   28 o   59.414   3.5345  421.541   49.364  446.600   69.617  396.200   70.007   60.856   4.8857   57.204   5.2409 3.651508 7.164984 
1 1 1    5   18   29 o   70.712   4.0087  599.170   66.661  594.300   93.990  604.100   94.558   69.886   5.7464   70.469   5.7322 -0.5823059 8.116574 
1 1 1    5   18   30 o   62.630   3.6037  469.815   53.071  463.500   74.850  476.200   75.261   61.742   5.1818   62.603   5.1363 -0.8615990 7.296111 
1 1 1    5   18   31 o  105.049   6.0287  1352.85  148.921  1453.70  210.290  1251.40  210.924  107.103   8.3817   98.689   9.1552 8.413887 12.41253 
1 1 1    5   18   32 o   76.319   4.3305  703.758   77.722  712.500  109.867  695.000  109.964   75.909   6.1830   74.916   6.2738 0.9930573 8.808550 
1 1 1    5   18   33 o   54.153   3.2146  351.705   40.923  359.500   57.856  343.900   57.892   54.335   4.5511   53.095   4.6647 1.240028 6.517082 
1 1 1    5   18   34 o   88.358   5.0131  954.973  104.165  981.900  147.248  928.000  147.376   88.055   7.1432   85.398   7.3808 2.656624 10.27144 
1 1 1    5   18   35 o   43.084   2.6907  222.391   27.238  217.900   38.480  226.900   38.559   42.312   3.8951   43.208   3.8185 -0.8962975 5.454598 
1 1 1    5   18   36 o   30.289   2.1501  109.747   15.278  108.300   21.586  111.200   21.628   29.878   3.1048   30.290   3.0661 -0.4112282 4.363615 
1 1 1    5   18   37 o   39.460   2.5516  187.158   23.649  194.500   33.427  179.800   33.461   39.893   3.5868   38.284   3.7495 1.608913 5.188821 
1 1 1    5   18   38 o   34.378   2.3129  142.081   18.667  134.200   26.366  150.000   26.431   33.055   3.4278   35.037   3.2311 -1.982368 4.710544 
1 1 1    5   18   39 o   57.077   3.4342  399.320   46.071  436.000   65.137  362.600   65.172   58.698   4.7398   53.087   5.2685 5.611137 7.086818 
1 1 1    5   18   40 o   44.310   2.7963  238.710   29.108  243.900   41.124  233.500   41.206   44.144   3.9882   43.120   4.0960 1.023949 5.716897 
1 1 1    5   18   41 o   17.962   1.7280   38.847   7.2387   44.900   10.282   32.900   10.193   19.185   2.3166   16.265   2.7518 2.919453 3.597105 
1 1 1    5   18   42 o   41.175   2.5193  205.792   24.377  259.600   34.525  152.300   34.423   45.888   3.2063   34.481   4.3227 11.40628 5.382014 
1 1 1    5   18   43 o   22.861   1.8693   62.993   10.003   78.900   14.172   47.200   14.121   25.450   2.3861   19.366   3.1997 6.084030 3.991431 
1 1 1    5   18   44 o   24.047   1.9264   69.879   10.847   76.000   15.367   63.800   15.314   24.836   2.6617   22.630   2.9350 2.206173 3.962198 
1 1 1    5   18   45 o   23.095   1.8523   64.535   10.016   72.100   14.276   57.200   14.057   24.173   2.5390   21.379   2.8558 2.794144 3.821262 
1 1 1    5   18   46 o   11.597   1.6661   16.463   4.4315   20.800   6.3326   12.300   6.2037   12.931   2.1493   9.8262   2.6241 3.105159 3.391972 
1 1 1    5   18   47 o   17.038   1.9986   35.702   7.8882   46.100   10.862   24.100   11.474   19.212   2.4501   13.438   3.5593 5.773892 4.321101 
1 1 1    5   18   48 o   20.519   1.9335   51.596   9.2582   63.500   13.014   39.400   13.173   22.527   2.4881   17.283   3.3487 5.244215 4.171891 
1 1 1    5   18   49 o   17.372   2.6168   38.400   10.402   38.400   10.402   0.0000   0.0000   17.372   2.6168  ?   ?  0.000000 2.616822 
1 1 1    5   18   50 o   5.4264   1.9536   3.1000   3.1962   3.1000   3.1962   0.0000   0.0000   5.4264   1.9536  ?   ?  0.000000 1.953629 
1 1 1    5   18   51 o   9.7228   2.4146   12.400   5.5184   12.400   5.5184   0.0000   0.0000   9.7228   2.4146  ?   ?  0.000000 2.414576 
1 1 1    5   18   52 o   12.750   2.5457   21.800   7.3959   21.800   7.3959   0.0000   0.0000   12.750   2.5457  ?   ?  0.000000 2.545662 
1 1 1    5   18   53 o   30.303   3.8349  142.000   26.827  142.000   26.827   0.0000   0.0000   30.303   3.8349  ?   ?  0.000000 3.834926 
1 1 1    5   18   54 o   9.2955   2.6148   12.300   5.9804   12.300   5.9804   0.0000   0.0000   9.2955   2.6148  ?   ?  0.000000 2.614778 
1 1 1    5   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   19    0 o  128.663   10.086  2001.00  302.105  2001.00  302.105  2001.00  302.105  128.663   10.086  128.663   10.086 -0.000000 0.000000 
1 1 1    5   19    1 o  186.667   9.7066  4167.88  426.381  3547.90  602.184  4791.20  603.805  170.587   15.106  199.220   12.905 -28.63298 19.86717 
1 1 1    5   19    2 o  215.657   11.779  5592.09  597.575  5967.70  844.105  5214.70  846.097  221.018   16.288  205.964   17.565 15.05415 23.95467 
1 1 1    5   19    3 o  198.209   10.260  4706.11  478.581  4324.50  675.332  5091.10  678.310  188.312   15.320  204.895   14.105 -16.58292 20.82463 
1 1 1    5   19    4 o  110.294   5.8031  1445.84  150.607  1342.50  212.271  1550.60  213.718  105.845   8.5664  113.904   7.9966 -8.058640 11.71873 
1 1 1    5   19    5 o  204.552   10.672  5020.04  513.694  4681.20  724.809  5362.00  728.148  195.647   15.824  209.918   14.784 -14.27133 21.65576 
1 1 1    5   19    6 o  228.277   12.237  6281.71  657.203  6204.10  928.276  6359.70  930.580  224.391   17.662  227.304   17.471 -2.912628 24.84311 
1 1 1    5   19    7 o   55.959   2.8735  371.071   37.842  297.700   52.844  448.300   54.216   49.946   4.5298   61.451   3.7542 -11.50498 5.883338 
1 1 1    5   19    8 o  196.769   10.709  4651.87  495.731  4883.00  700.286  4419.70  701.856  200.008   14.935  189.862   15.798 10.14584 21.74036 
1 1 1    5   19    9 o  304.260   15.670 11313.11  1122.00 10071.00  1582.82 12567.60  1590.69  280.621   24.121  316.159   21.433 -35.53778 32.26768 
1 1 1    5   19   10 o  195.900   10.524  4613.61  485.042  4599.50  685.025  4627.80  686.885  193.793   15.088  194.393   15.082 -0.6007385 21.33355 
1 1 1    5   19   11 o  164.072   8.7652  3222.59  338.365  3407.60  478.668  3037.80  478.372  167.682   12.172  158.009   12.934 9.672668 17.76095 
1 1 1    5   19   12 o   43.481   2.6541  224.291   27.120  238.500   38.434  210.200   38.274   44.750   3.6694   41.966   3.9073 2.784660 5.360172 
1 1 1    5   19   13 o  100.873   5.4523  1210.39  129.391  1312.50  183.082  1108.50  182.890  104.727   7.4519   96.070   8.1385 8.657272 11.03473 
1 1 1    5   19   14 o   30.951   2.1463  113.729   15.590  126.700   22.065  100.800   22.030   32.608   2.8957   29.011   3.2730 3.597750 4.370089 
1 1 1    5   19   15 o   75.480   3.8243  675.997   67.941  812.100   96.459  542.000   95.710   82.620   4.9673   67.279   6.0905 15.34171 7.859268 
1 1 1    5   19   16 o   56.796   3.3023  382.845   44.098  385.700   62.414  380.000   62.313   56.859   4.6905   56.431   4.7196 0.4281731 6.653959 
1 1 1    5   19   17 o  106.287   5.7260  1345.33  143.182  1427.20  202.635  1263.70  202.343  109.066   7.9221  102.481   8.4364 6.584236 11.57291 
1 1 1    5   19   18 o  266.252   14.096  8701.72  883.070  9846.40  1249.74  7560.30  1247.96  278.927   19.089  241.510   22.129 37.41748 29.22473 
1 1 1    5   19   19 o   70.325   3.7308  587.173   61.734  685.200   87.542  490.200   87.070   75.842   4.9146   63.959   5.8290 11.88209 7.624373 
1 1 1    5   19   20 o   91.766   4.6312  1001.29  100.030  1189.50  141.885  815.300  141.045   99.806   6.0488   82.314   7.3332 17.49207 9.506014 
1 1 1    5   19   21 o  105.685   5.7512  1332.92  142.986  1419.10  202.244  1246.80  202.182  108.546   7.9456  101.556   8.5093 6.989914 11.64226 
1 1 1    5   19   22 o   93.337   5.2110  1039.18  114.393  1186.80  161.675  891.200  161.876   99.391   6.9320   85.775   8.0876 13.61647 10.65186 
1 1 1    5   19   23 f  154.298   8.3941  2880.05  304.691  2868.90  430.036  2891.30  431.764  152.077   12.074  152.672   12.075 -0.5953369 17.07615 
1 1 1    5   19   24 o   62.725   3.6680  468.387   54.092  492.100   76.280  444.400   76.718   64.062   5.0843   60.796   5.4002 3.266113 7.417036 
1 1 1    5   19   25 o   25.882   2.0308   79.719   12.312   83.100   17.241   76.200   17.588   26.336   2.8160   25.177   3.0185 1.159281 4.128125 
1 1 1    5   19   26 o   34.959   2.3816  145.378   19.543  176.000   27.603  114.600   27.673   38.395   3.0701   30.797   3.8922 7.598619 4.957315 
1 1 1    5   19   27 o   43.587   2.6772  226.116   27.421  219.200   38.417  233.300   39.153   42.728   3.8489   44.101   3.7967 -1.373066 5.406384 
1 1 1    5   19   28 o   78.256   4.3822  735.031   80.654  726.300  113.616  743.900  114.512   77.127   6.2932   78.073   6.2641 -0.9460754 8.879410 
1 1 1    5   19   29 o   61.279   3.5909  449.520   51.734  468.400   73.028  430.500   73.298   62.159   5.0181   59.494   5.2720 2.665157 7.278400 
1 1 1    5   19   30 o  103.411   5.9084  1307.83  143.679  1467.60  203.017  1147.50  203.370  108.031   8.0155   94.531   9.2283 13.49978 12.22334 
1 1 1    5   19   31 o   24.130   1.9008   69.425   10.743   64.500   15.008   74.600   15.384   23.113   2.8074   24.908   2.6566 -1.794167 3.865092 
1 1 1    5   19   32 o   56.715   3.0854  385.000   41.166  333.500   57.858  437.800   58.584   52.285   4.7377   60.171   4.1485 -7.886684 6.297335 
1 1 1    5   19   33 f   78.263   4.4312  743.183   81.555  736.000  115.204  750.400  115.468   76.770   6.4138   77.556   6.3610 -0.7860870 9.033214 
1 1 1    5   19   34 o   82.420   4.6603  829.321   90.329  888.500  127.776  770.200  127.713   84.050   6.4882   77.818   7.0259 6.232445 9.563483 
1 1 1    5   19   35 o   46.791   2.8705  262.900   31.563  263.100   44.624  262.700   44.649   46.404   4.1151   46.366   4.1210 0.3767395E-01 5.823801 
1 1 1    5   19   36 o   7.5953   1.6760   7.1158   2.9254   10.600   4.1278   3.6000   4.1465   9.2693   1.9478   6.0921   2.2204 3.177148 2.953654 
1 1 1    5   19   37 o   33.943   2.3209  138.364   18.491  144.200   26.118  132.500   26.182   34.380   3.2560   32.888   3.4214 1.491840 4.723098 
1 1 1    5   19   38 o   25.829   1.9998   80.100   12.102   81.000   17.115   79.200   17.115   25.753   2.8628   25.451   2.8995 0.3018074 4.074648 
1 1 1    5   19   39 o   24.651   1.9504   73.036   11.260   78.800   15.944   67.300   15.905   25.413   2.6982   23.391   2.9448 2.022551 3.994009 
1 1 1    5   19   40 o   51.763   3.2053  328.808   38.987  346.500   55.046  311.000   55.226   52.199   4.5101   49.193   4.8160 3.005985 6.598124 
1 1 1    5   19   41 o   57.765   3.5001  413.020   47.517  419.900   67.102  406.100   67.298   56.865   5.0497   55.802   5.1659 1.063030 7.223993 
1 1 1    5   19   42 o   50.030   3.1068  307.727   36.522  325.400   51.610  290.000   51.689   50.496   4.3714   47.399   4.6792 3.096947 6.403458 
1 1 1    5   19   43 o   4.9995   1.5869   2.9314   2.1042   6.5000   3.1049  -0.1000   2.8617   7.2298   1.8200   3.9879   1.7068 3.241862 2.495078 
1 1 1    5   19   44 o   26.247   1.9945   83.413   12.269   94.800   17.380   72.100   17.324   27.721   2.6889   23.953   3.1382 3.767618 4.132630 
1 1 1    5   19   45 o   27.944   1.9624   94.687   12.867  122.400   18.268   67.400   18.127   31.557   2.4713   22.909   3.4586 8.647821 4.250738 
1 1 1    5   19   46 o   3.4579   1.3763   0.7450   1.6854   4.7000   2.2932  -3.9000   2.4852   6.1428   1.5739   2.6887   1.2982 3.454147 2.040194 
1 1 1    5   19   47 o   1.6013   0.7913  -2.4707   1.0949  -2.9000   1.2030  -0.4000   2.6420   1.6404   0.8140   3.7098   1.6141 -2.069404 1.807696 
1 1 1    5   19   48 o   34.344   2.4958  146.872   20.102  172.100   28.333  121.300   28.525   36.482   3.3254   29.882   4.1550 6.599884 5.321893 
1 1 1    5   19   49 o   9.0408   2.3707   10.500   5.1235   10.500   5.1235   0.0000   0.0000   9.0408   2.3707  ?   ?  0.000000 2.370734 
1 1 1    5   19   50 o   28.293   3.2089  105.700   21.059  105.700   21.059   0.0000   0.0000   28.293   3.2089  ?   ?  0.000000 3.208862 
1 1 1    5   19   51 o   9.8257   2.4597   12.800   5.6938   12.800   5.6938   0.0000   0.0000   9.8257   2.4597  ?   ?  0.000000 2.459682 
1 1 1    5   19   52 o   5.7032   2.0430   3.7000   3.4911   3.7000   3.4911   0.0000   0.0000   5.7032   2.0430  ?   ?  0.000000 2.042997 
1 1 1    5   19   53 o   10.706   2.6903   16.200   6.7933   16.200   6.7933   0.0000   0.0000   10.706   2.6903  ?   ?  0.000000 2.690341 
1 1 1    5   19   54 o   6.2761   2.3182   4.7000   4.5423   4.7000   4.5423   0.0000   0.0000   6.2761   2.3182  ?   ?  0.000000 2.318191 
1 1 1    5   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   20    0 o  133.260   10.435  2148.60  323.719  2148.60  323.719  2148.60  323.719  133.260   10.435  133.260   10.435 -0.000000 0.000000 
1 1 1    5   20    1 o  284.913   15.266  9884.27  1023.34  9468.80  1445.43 10301.80  1449.01  274.014   22.539  286.634   21.566 -12.62006 31.19456 
1 1 1    5   20    2 o  182.985   9.9538  4013.12  428.481  4181.00  605.027  3844.20  606.904  185.489   13.915  177.563   14.604 7.925217 20.17159 
1 1 1    5   20    3 o  143.011   11.024  2465.20  369.417  2465.20  369.417   0.0000   0.0000  143.011   11.024  ?   ?  0.000000 11.02426 
1 1 1    5   20    4 o  126.494   6.6293  1904.81  197.327  1769.10  278.364  2041.90  279.766  121.291   9.8028  130.510   9.1356 -9.219421 13.39977 
1 1 1    5   20    5 o  157.563   8.4967  2966.75  314.962  3002.40  444.798  2930.90  446.050  157.567   12.046  155.610   12.238 1.956818 17.17165 
1 1 1    5   20    6 o  160.601   8.5995  3083.45  324.940  3049.90  458.850  3117.20  460.223  158.689   12.342  160.473   12.237 -1.784088 17.38055 
1 1 1    5   20    7 o  212.325   11.540  5434.21  576.420  5609.70  814.117  5257.80  816.251  213.611   16.262  206.447   16.892 7.164063 23.44741 
1 1 1    5   20    8 o  127.124   6.8613  1926.18  205.204  1921.30  289.673  1931.10  290.734  126.351   9.7852  126.672   9.7959 -0.3210297 13.84587 
1 1 1    5   20    9 o   74.258   4.1642  654.735   72.724  651.500  102.608  658.000  103.088   73.861   5.9332   74.231   5.9307 -0.3699875 8.388996 
1 1 1    5   20   10 o   68.774   3.8501  561.418   62.275  716.600   88.093  406.400   88.047   77.623   4.8300   58.127   6.5275 19.49601 8.120133 
1 1 1    5   20   11 o   91.388   4.9934  992.765  107.350  952.200  151.751  1033.40  151.881   89.156   7.2715   92.955   6.9701 -3.799423 10.07258 
1 1 1    5   20   12 o  127.916   6.6501  1950.46  200.179  2180.40  283.464  1721.70  282.730  134.762   8.9588  119.393   10.124 15.36923 13.51854 
1 1 1    5   20   13 f  178.744   9.5410  3837.80  401.247  3598.30  567.208  4077.70  567.691  171.312   14.148  182.844   13.238 -11.53223 19.37547 
1 1 1    5   20   14 o   67.888   3.7336  547.033   59.622  609.500   84.431  484.900   84.205   71.525   5.0310   63.670   5.6597 7.855175 7.572499 
1 1 1    5   20   15 o  113.023   5.8555  1520.96  155.742  1744.70  220.567  1298.50  219.939  120.702   7.7801  103.773   9.0664 16.92868 11.94697 
1 1 1    5   20   16 o   97.888   5.2543  1140.10  121.008  1041.80  170.955  1238.80  171.309   93.107   7.8488  101.722   7.1779 -8.614182 10.63610 
1 1 1    5   20   17 o  133.307   6.7636  2121.56  212.212  2536.00  300.528  1709.40  299.699  145.245   8.8039  118.563   10.824 26.68249 13.95243 
1 1 1    5   20   18 o  216.659   11.524  5703.02  587.468  6146.60  831.401  5260.70  830.211  222.136   15.956  204.454   17.360 17.68224 23.57930 
1 1 1    5   20   19 o   87.957   4.5069  919.789   93.294  1083.20  132.226  757.800  131.650   95.247   5.9082   79.380   7.0983 15.86749 9.235393 
1 1 1    5   20   20 o   94.192   5.0680  1056.89  112.308  1136.40  159.042  977.800  158.612   97.308   6.9676   90.100   7.5239 7.207794 10.25459 
1 1 1    5   20   21 o  107.742   5.7522  1386.47  145.816  1567.60  206.345  1205.80  206.086  114.080   7.7050   99.656   8.8496 14.42362 11.73385 
1 1 1    5   20   22 o   26.437   1.9979   83.089   12.380   70.500   17.501   95.700   17.516   24.199   3.1365   28.316   2.6505 -4.117348 4.106389 
1 1 1    5   20   23 o  107.997   5.9472  1398.68  151.081  1650.10  213.630  1147.10  213.693  116.705   7.7968   96.594   9.4912 20.11079 12.28305 
1 1 1    5   20   24 o   31.564   2.1689  118.419   16.068  136.300   22.775  100.700   22.672   33.796   2.8814   28.941   3.3813 4.855295 4.442429 
1 1 1    5   20   25 o  107.208   5.7068  1382.73  143.952  1745.70  203.739  1020.90  203.419  119.842   7.2334   90.462   9.6727 29.38036 12.07818 
1 1 1    5   20   26 o   56.462   3.2137  379.875   42.670  351.800   60.053  408.500   60.640   54.028   4.7556   58.322   4.4364 -4.293716 6.503614 
1 1 1    5   20   27 o   47.635   2.9711  270.552   33.254  313.000   46.944  227.800   47.112   51.074   3.9223   43.362   4.6750 7.712273 6.102490 
1 1 1    5   20   28 o   37.494   2.4772  167.501   21.809  172.700   30.695  162.200   30.992   37.913   3.4670   36.703   3.6233 1.210148 5.014805 
1 1 1    5   20   29 o   44.108   2.6244  231.948   27.211  209.600   38.269  254.800   38.698   41.663   3.9365   46.052   3.5869 -4.388336 5.325576 
1 1 1    5   20   30 o   74.265   4.0733  663.853   71.159  619.900  100.131  708.700  101.145   70.953   6.0336   76.073   5.6713 -5.119850 8.280570 
1 1 1    5   20   31 o   36.215   2.3435  156.425   19.934  148.000   27.987  165.100   28.399   35.018   3.4286   37.035   3.2813 -2.017330 4.745716 
1 1 1    5   20   32 o   11.660   1.6368   16.416   4.3825   12.800   5.9840   20.600   6.4363   10.174   2.5071   12.999   2.1735 -2.825718 3.318075 
1 1 1    5   20   33 o   37.864   2.2262  170.980   19.817  140.900   27.660  202.700   28.405   34.098   3.4842   41.092   2.9469 -6.993908 4.563323 
1 1 1    5   20   34 o   35.822   2.3379  153.403   19.667  143.200   27.749  163.700   27.878   34.347   3.4689   36.806   3.2406 -2.459084 4.747097 
1 1 1    5   20   35 o   68.354   3.9762  569.421   63.902  603.200   90.343  535.600   90.400   69.345   5.5640   65.049   5.9512 4.295860 8.147080 
1 1 1    5   20   36 o   69.825   4.0554  598.144   66.578  577.000   94.142  619.300   94.168   67.104   6.0046   69.741   5.7700 -2.636406 8.327567 
1 1 1    5   20   37 f   23.330   1.9064   65.297   10.411   70.700   14.727   59.900   14.719   24.118   2.6284   22.109   2.8884 2.009222 3.905343 
1 1 1    5   20   38 o   27.996   2.0681   94.194   13.576   90.400   19.183   98.000   19.215   27.148   3.0448   28.321   2.9149 -1.173071 4.215152 
1 1 1    5   20   39 o   48.024   2.9375  281.012   33.151  271.700   46.787  290.400   46.980   46.398   4.3200   48.075   4.1800 -1.677532 6.011197 
1 1 1    5   20   40 o   10.488   1.7037   13.447   4.0746   14.300   5.7710   12.600   5.7536   10.700   2.3485   10.029   2.4505 0.6712923 3.394159 
1 1 1    5   20   41 o   36.948   2.4575  165.554   21.319  175.100   30.143  156.000   30.155   37.540   3.4386   35.296   3.6718 2.244492 5.030543 
1 1 1    5   20   42 o   32.657   2.2066  128.942   16.916  160.600   23.964   97.500   23.882   36.202   2.8257   27.757   3.7388 8.444927 4.686469 
1 1 1    5   20   43 o   21.513   1.8768   55.924   9.4385   62.200   13.323   49.600   13.373   22.487   2.5544   19.921   2.9305 2.565964 3.887524 
1 1 1    5   20   44 o   26.056   1.9903   82.292   12.153   96.200   17.223   68.500   17.151   27.919   2.6439   23.278   3.2052 4.641003 4.154980 
1 1 1    5   20   45 o   19.642   1.7852   46.787   8.1896   59.100   11.612   34.600   11.552   21.926   2.2759   16.422   3.0925 5.504040 3.839697 
1 1 1    5   20   46 o   22.174   1.9719   60.073   10.217   63.800   14.223   56.100   14.686   22.523   2.7302   20.941   3.0601 1.581453 4.100983 
1 1 1    5   20   47 o   19.718   2.0130   47.784   9.2413   61.800   12.877   32.900   13.270   22.229   2.4963   15.630   3.6599 6.599441 4.430159 
1 1 1    5   20   48 o   18.767   1.9826   43.368   8.6533   55.800   12.043   30.100   12.442   21.093   2.4644   14.928   3.5765 6.164410 4.343300 
1 1 1    5   20   49 o   19.872   2.7041   50.500   12.359   50.500   12.359   0.0000   0.0000   19.872   2.7041  ?   ?  0.000000 2.704057 
1 1 1    5   20   50 o   8.1632   2.3511   8.6000   4.7783   8.6000   4.7783   0.0000   0.0000   8.1632   2.3511  ?   ?  0.000000 2.351073 
1 1 1    5   20   51 o   10.889   2.5163   15.900   6.3403   15.900   6.3403   0.0000   0.0000   10.889   2.5163  ?   ?  0.000000 2.516309 
1 1 1    5   20   52 o   9.9572   2.6433   13.800   6.3188   13.800   6.3188   0.0000   0.0000   9.9572   2.6433  ?   ?  0.000000 2.643273 
1 1 1    5   20   53 o   6.7245   2.3812   5.7000   4.7298   5.7000   4.7298   0.0000   0.0000   6.7245   2.3812  ?   ?  0.000000 2.381241 
1 1 1    5   20   54 f   5.5681   2.0218   3.6000   3.4330   3.6000   3.4330   0.0000   0.0000   5.5681   2.0218  ?   ?  0.000000 2.021757 
1 1 1    5   21    0 o  122.575   9.6301  1817.30  274.780  1817.30  274.780  1817.30  274.780  122.575   9.6301  122.575   9.6301 0.000000 0.000000 
1 1 1    5   21    1 o  147.212   7.9683  2587.89  275.964  2478.10  390.521  2697.40  390.022  143.124   11.656  149.517   11.126 -6.392395 16.11414 
1 1 1    5   21    2 o  191.052   10.293  4383.52  462.642  4402.60  653.018  4364.30  655.540  189.832   14.682  188.945   14.811 0.8872833 20.85507 
1 1 1    5   21    3 o   73.066   3.6084  631.441   62.256  486.500   87.623  779.200   88.471   63.772   5.8850   80.986   4.6457 -17.21339 7.497724 
1 1 1    5   21    4 o   52.587   3.0660  328.045   37.908  309.800   53.456  346.500   53.764   50.957   4.4884   53.939   4.2557 -2.981850 6.185212 
1 1 1    5   21    5 o  171.071   9.2752  3507.17  373.281  3951.30  527.739  3062.50  528.060  180.569   12.453  158.200   14.290 22.36945 18.95469 
1 1 1    5   21    6 o  149.763   8.2018  2681.45  288.949  2986.00  408.365  2376.10  408.907  157.286   11.066  139.777   12.521 17.50899 16.71029 
1 1 1    5   21    7 o  129.017   7.0376  1985.25  213.595  2158.90  301.893  1811.20  302.244  133.993   9.6051  122.432   10.558 11.56113 14.27309 
1 1 1    5   21    8 o  122.841   9.5181  1816.20  273.938  1816.20  273.938   0.0000   0.0000  122.841   9.5181  ?   ?  0.000000 9.518141 
1 1 1    5   21    9 o  131.615   10.185  2089.30  314.086  2089.30  314.086   0.0000   0.0000  131.615   10.185  ?   ?  0.000000 10.18538 
1 1 1    5   21   10 o   33.079   2.2451  129.887   17.433  124.400   24.514  135.500   24.796   32.269   3.2619   33.704   3.1521 -1.435089 4.536057 
1 1 1    5   21   11 o  182.344   9.7921  3996.42  420.084  3865.90  594.019  4127.00  594.158  177.574   14.287  183.731   13.796 -6.157089 19.86064 
1 1 1    5   21   12 o  212.937   11.484  5482.84  575.307  5300.10  813.589  5665.60  813.625  206.590   16.824  213.998   16.222 -7.408096 23.37048 
1 1 1    5   21   13 o  123.941   6.1338  1824.99  179.518  2195.60  254.363  1457.20  253.393  135.424   7.9896  109.788   9.8800 25.63649 12.70619 
1 1 1    5   21   14 o   68.818   3.6523  562.021   59.139  645.100   83.853  479.800   83.419   73.610   4.8513   63.328   5.6373 10.28244 7.437397 
1 1 1    5   21   15 o  133.806   6.9745  2138.12  219.607  2389.90  310.960  1887.60  310.185  140.853   9.4033  124.748   10.631 16.10478 14.19317 
1 1 1    5   21   16 o  149.625   8.2174  2685.33  289.225  2887.60  408.596  2482.20  409.457  154.122   11.306  142.458   12.292 11.66420 16.70111 
1 1 1    5   21   17 f   47.218   2.8054  264.574   31.139  288.100   44.108  241.200   43.965   49.178   3.8284   44.926   4.1927 4.251968 5.677690 
1 1 1    5   21   18 o  154.814   8.0271  2877.08  292.441  3326.70  413.951  2429.10  413.198  165.496   10.649  140.513   12.587 24.98280 16.48709 
1 1 1    5   21   19 o   3.1157   1.3000   0.2003   1.5922  -1.0000   2.0798   1.9000   2.4749   3.0780   1.3806   4.6000   1.7088 -1.521935 2.196780 
1 1 1    5   21   20 o  137.218   7.3767  2261.87  238.142  2351.20  337.024  2172.80  336.544  138.772   10.360  133.187   10.794 5.584610 14.96073 
1 1 1    5   21   21 o  200.828   10.742  4944.05  507.572  5538.40  718.266  4351.20  717.364  209.371   14.620  183.637   16.726 25.73413 22.21517 
1 1 1    5   21   22 o  139.274   7.2018  2338.76  236.039  2689.10  334.308  1990.50  333.313  148.198   9.6047  126.551   11.272 21.64740 14.80899 
1 1 1    5   21   23 o   77.239   4.2981  711.960   78.083  762.800  110.469  661.200  110.383   79.588   5.9204   73.946   6.3842 5.641106 8.706839 
1 1 1    5   21   24 o   81.306   4.5647  790.886   87.284  801.400  123.227  780.300  123.652   81.314   6.4712   80.193   6.5881 1.121567 9.234700 
1 1 1    5   21   25 o  149.819   8.2928  2762.19  292.238  2748.70  412.338  2775.80  414.243  146.228   12.049  146.957   12.043 -0.7290802 17.03547 
1 1 1    5   21   26 o   60.432   3.3706  435.790   47.908  387.700   67.502  484.600   68.006   56.594   5.1060   63.467   4.5682 -6.872612 6.851301 
1 1 1    5   21   27 o   53.887   3.1756  346.648   40.230  339.000   56.702  354.400   57.087   52.975   4.5778   54.193   4.5018 -1.217911 6.420431 
1 1 1    5   21   28 o   68.785   4.0186  568.450   64.988  603.800   91.650  532.700   92.167   70.355   5.5621   65.888   5.9893 4.467133 8.173645 
1 1 1    5   21   29 o   53.491   3.2986  342.640   41.462  373.600   58.412  311.200   58.863   55.541   4.4922   50.502   5.0017 5.038277 6.722849 
1 1 1    5   21   30 o   11.623   1.7580   16.359   4.6741   23.100   6.5351   9.3000   6.6879   13.806   2.0683   8.9161   2.8289 4.889375 3.504383 
1 1 1    5   21   31 o   46.895   2.9708  263.359   32.727  280.100   46.001  246.200   46.571   48.073   4.0912   44.941   4.4468 3.131477 6.042516 
1 1 1    5   21   32 o   71.994   4.1846  627.720   70.833  655.100   99.955  600.100  100.392   72.685   5.8738   69.365   6.1943 3.320503 8.536455 
1 1 1    5   21   33 o   22.386   1.9183   59.916   10.043   64.800   14.109   54.900   14.298   23.167   2.6254   21.239   2.9288 1.928253 3.933274 
1 1 1    5   21   34 o   32.754   2.2387  128.335   17.211  125.000   24.285  131.700   24.397   32.094   3.2491   32.972   3.1726 -0.8773918 4.541211 
1 1 1    5   21   35 o   45.841   2.8423  253.110   30.616  271.700   43.286  234.500   43.310   47.089   3.9287   43.582   4.2629 3.506073 5.797171 
1 1 1    5   21   36 o   16.608   1.7331   33.151   6.6966   33.500   9.4591   32.800   9.4817   16.542   2.4995   16.357   2.5371 0.1858635 3.561464 
1 1 1    5   21   37 o   9.6535   1.6481   11.390   3.6219   13.500   5.1990   9.4000   5.0487   10.435   2.1801   8.7154   2.3842 1.719879 3.230721 
1 1 1    5   21   38 o   3.2472   1.2997   0.5993   1.5112   4.2000   2.0486  -3.7000   2.2385   5.8327   1.4838   2.5240   1.2219 3.308728 1.922178 
1 1 1    5   21   39 o   27.024   2.0286   87.919   12.851  102.600   18.193   73.300   18.155   29.006   2.6867   24.289   3.2466 4.716715 4.214175 
1 1 1    5   21   40 o   51.312   3.1037  322.794   37.430  302.000   52.863  343.700   53.005   48.516   4.6721   52.046   4.3529 -3.530602 6.385577 
1 1 1    5   21   41 o   34.319   2.3539  142.665   18.960  158.900   26.801  126.400   26.827   35.856   3.1990   31.737   3.6459 4.119059 4.850395 
1 1 1    5   21   42 f   36.911   2.4755  165.721   21.452  173.800   30.299  157.600   30.376   37.283   3.4818   35.369   3.6914 1.914028 5.074401 
1 1 1    5   21   43 o   39.414   2.6062  190.328   24.119  210.900   34.086  169.700   34.132   40.867   3.5679   36.293   4.0518 4.573742 5.398838 
1 1 1    5   21   44 o   22.211   1.9265   59.896   10.004   64.200   14.074   55.500   14.223   22.723   2.6740   20.993   2.9507 1.730446 3.982088 
1 1 1    5   21   45 o   54.015   3.4020  371.816   43.171  389.300   61.025  354.300   61.081   53.232   4.9102   50.331   5.2150 2.900299 7.162839 
1 1 1    5   21   46 o   23.609   1.9769   68.144   10.919   67.900   15.247   68.400   15.646   23.153   2.8489   23.200   2.9206 -0.4704094E-01 4.079945 
1 1 1    5   21   47 o   20.508   2.0397   51.726   9.7465   64.000   13.533   38.500   14.048   22.574   2.5854   16.949   3.6201 5.625612 4.448586 
1 1 1    5   21   48 o   14.761   1.8234   26.830   6.2205   31.000   8.6201   22.300   8.9854   15.659   2.4084   13.016   2.9868 2.642827 3.836803 
1 1 1    5   21   49 o   6.3123   2.1150   4.7000   3.7130   4.7000   3.7130   0.0000   0.0000   6.3123   2.1150  ?   ?  0.000000 2.115004 
1 1 1    5   21   50 o   12.168   2.5111   19.500   6.9759   19.500   6.9759   0.0000   0.0000   12.168   2.5111  ?   ?  0.000000 2.511134 
1 1 1    5   21   51 o   15.980   2.6624   34.400   9.6931   34.400   9.6931   0.0000   0.0000   15.980   2.6624  ?   ?  0.000000 2.662390 
1 1 1    5   21   52 o  ?   ?   -6.7000   0.8902  -6.7000   0.8902   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   21   53 f   8.5789   2.4678   10.300   5.2673   10.300   5.2673   0.0000   0.0000   8.5789   2.4678  ?   ?  0.000000 2.467766 
1 1 1    5   21   54 o   7.7327   2.3753   8.3000   4.7554   8.3000   4.7554   0.0000   0.0000   7.7327   2.3753  ?   ?  0.000000 2.375316 
1 1 1    5   22    0 o  203.193   15.907  5050.50  752.499  5050.50  752.499  5050.50  752.499  203.193   15.907  203.193   15.907 0.000000 0.000000 
1 1 1    5   22    1 o   97.585   5.3767  1132.43  123.418  1087.80  174.704  1176.90  174.375   95.249   7.8370   99.160   7.5026 -3.910301 10.84931 
1 1 1    5   22    2 o  272.746   14.783  9086.63  948.525  9722.90  1342.07  8451.60  1340.76  277.879   20.600  257.659   22.255 20.22064 30.32547 
1 1 1    5   22    3 o  228.449   10.893  6269.49  587.604  7832.50  834.083  4729.40  827.946  253.585   13.983  194.714   18.219 58.87152 22.96636 
1 1 1    5   22    4 o   82.856   4.3154  814.977   84.140  712.300  118.494  919.400  119.497   77.152   6.5666   87.837   5.7938 -10.68562 8.757155 
1 1 1    5   22    5 f  187.464   10.087  4223.99  444.892  5060.00  629.175  3388.00  629.171  204.014   13.130  165.429   16.319 38.58572 20.94521 
1 1 1    5   22    6 o   96.088   5.2357  1097.84  118.348  1077.70  167.130  1118.10  167.610   94.843   7.5243   96.637   7.4013 -1.793976 10.55436 
1 1 1    5   22    7 o  198.869   10.823  4766.73  506.350  5457.40  715.867  4075.20  716.308  211.191   14.441  181.147   16.943 30.04420 22.26216 
1 1 1    5   22    8 o  225.618   12.336  6169.51  654.705  6845.80  925.509  5492.10  926.278  235.173   16.776  209.185   18.958 25.98802 25.31482 
1 1 1    5   22    9 o  163.841   8.8205  3217.44  339.997  3213.60  479.980  3221.30  481.682  162.492   12.608  162.676   12.639 -0.1840668 17.85198 
1 1 1    5   22   10 o  136.148   7.2975  2213.51  233.758  2356.90  330.689  2070.30  330.478  139.800   10.085  130.775   10.798 9.025864 14.77537 
1 1 1    5   22   11 o   48.702   2.9282  281.447   33.518  291.200   47.410  271.700   47.394   49.426   4.0991   47.713   4.2511 1.713139 5.905474 
1 1 1    5   22   12 o  212.886   10.745  5468.88  538.409  6546.50  762.248  4395.90  760.607  231.255   14.025  187.528   17.374 43.72728 22.32811 
1 1 1    5   22   13 o   40.761   2.5350  197.147   24.279  219.200   34.378  175.200   34.295   42.908   3.4214   38.280   3.8460 4.627567 5.147598 
1 1 1    5   22   14 o  161.736   8.6778  3140.38  330.209  2959.40  466.889  3321.50  467.083  155.474   12.832  165.099   12.064 -9.624985 17.61272 
1 1 1    5   22   15 o  184.509   9.7293  4103.83  422.400  3708.30  596.862  4500.70  597.867  173.069   14.745  191.576   13.298 -18.50627 19.85627 
1 1 1    5   22   16 o   41.993   2.4155  209.138   23.851  256.300   33.862  162.700   33.601   46.442   3.1056   36.857   3.9209 9.585072 5.001848 
1 1 1    5   22   17 o   85.115   4.0848  858.573   82.099  1118.10  116.439  602.000  115.774   96.897   5.1069   70.676   7.0304 26.22122 8.689504 
1 1 1    5   22   18 f   45.750   2.7425  248.462   29.491  289.500   41.751  207.600   41.661   49.308   3.6109   41.619   4.3012 7.688919 5.616005 
1 1 1    5   22   19 o  254.671   14.090  8097.88  844.054  8434.00  1194.06  7762.20  1193.29  252.903   20.162  241.328   21.153 11.57545 29.22279 
1 1 1    5   22   20 o  203.105   10.634  5056.74  508.219  5856.50  719.457  4260.20  718.005  215.558   14.214  181.304   16.968 34.25478 22.13521 
1 1 1    5   22   21 o   85.921   4.7613  881.448   96.225  938.200  136.085  824.700  136.081   88.217   6.5801   82.549   7.0486 5.667374 9.642669 
1 1 1    5   22   22 o  100.862   5.5474  1220.20  131.615  1211.60  186.143  1228.80  186.122   99.683   7.9747  100.417   7.9134 -0.7333755 11.23467 
1 1 1    5   22   23 o   95.928   5.2585  1104.41  118.661  1182.70  167.915  1026.30  167.710   98.569   7.2654   91.559   7.8324 7.009285 10.68330 
1 1 1    5   22   24 o  142.100   7.5128  2466.92  251.195  2836.90  355.617  2098.50  354.871  150.443   10.068  127.846   11.891 22.59704 15.58131 
1 1 1    5   22   25 o   94.907   5.2681  1086.10  117.600  1094.00  166.329  1078.20  166.294   94.242   7.5372   93.525   7.5955 0.7166290 10.70052 
1 1 1    5   22   26 o   26.039   2.1296   80.854   12.980   93.700   18.147   67.400   18.572   27.954   2.7863   23.548   3.4417 4.406355 4.428198 
1 1 1    5   22   27 o   81.210   4.6187  795.448   88.204  884.400  124.671  706.300  124.809   84.912   6.2620   75.432   7.0901 9.479980 9.459512 
1 1 1    5   22   28 o   20.198   1.8292   48.710   8.6293   43.900   12.093   53.700   12.318   19.018   2.7743   21.116   2.5202 -2.097673 3.748086 
1 1 1    5   22   29 o   73.774   4.2191  656.535   73.194  660.600  103.077  652.400  103.953   73.213   6.0154   72.706   6.1116 0.5075760 8.575399 
1 1 1    5   22   30 o   95.771   4.9602  1115.97  111.790  990.600  156.972  1245.00  159.242   88.482   7.5862   99.903   6.7905 -11.42074 10.18141 
1 1 1    5   22   31 o   42.232   2.6155  213.156   25.955  204.700   36.506  221.800   36.909   41.105   3.8042   42.833   3.6850 -1.728142 5.296344 
1 1 1    5   22   32 o   36.956   2.4064  163.242   20.886  158.500   29.361  168.100   29.717   36.174   3.4802   37.279   3.4136 -1.105785 4.874934 
1 1 1    5   22   33 o   35.718   2.4331  152.745   20.399  160.700   28.681  144.600   29.020   36.414   3.3739   34.457   3.6208 1.956623 4.949073 
1 1 1    5   22   34 o   18.298   1.7229   40.101   7.3567   34.800   10.137   46.000   10.693   16.864   2.6316   19.494   2.3718 -2.630722 3.542672 
1 1 1    5   22   35 o   38.256   2.4968  175.955   22.432  189.300   31.718  162.600   31.729   39.376   3.4459   36.361   3.7492 3.015305 5.092291 
1 1 1    5   22   36 o   64.641   3.8066  513.947   57.848  507.400   81.793  520.500   81.825   62.821   5.5716   63.703   5.4933 -0.8822937 7.824236 
1 1 1    5   22   37 o   47.911   2.9412  278.980   33.114  305.400   46.849  252.600   46.813   49.524   4.0413   44.741   4.4915 4.782478 6.042026 
1 1 1    5   22   38 o   17.376   1.8231   36.423   7.3689   39.300   10.214   33.300   10.641   17.903   2.4829   16.354   2.8597 1.548708 3.787182 
1 1 1    5   22   39 o   50.060   3.0734  306.745   36.155  304.800   51.065  308.700   51.197   48.958   4.4663   49.287   4.4469 -0.3289871 6.302619 
1 1 1    5   22   40 f   47.066   2.9327  270.850   32.431  287.900   45.865  253.800   45.865   47.760   4.1067   44.605   4.4123 3.155190 6.027778 
1 1 1    5   22   41 o   46.487   2.9163  264.707   31.851  271.500   45.019  257.900   45.068   46.232   4.1685   44.954   4.2980 1.278725 5.987462 
1 1 1    5   22   42 o   26.468   2.0347   84.753   12.619   88.200   17.839   81.300   17.854   26.692   2.8757   25.557   3.0166 1.135080 4.167646 
1 1 1    5   22   43 o   38.132   2.5557  178.334   22.880  191.000   32.314  165.600   32.399   38.802   3.5666   35.883   3.8858 2.919540 5.274541 
1 1 1    5   22   44 o   31.961   2.2384  124.776   16.786  140.500   23.758  109.100   23.721   33.467   3.0394   29.175   3.5140 4.292002 4.646100 
1 1 1    5   22   45 o   12.027   1.6158   17.680   4.4727   21.200   6.4404   14.400   6.2163   13.031   2.1693   10.611   2.5187 2.420354 3.324064 
1 1 1    5   22   46 f   13.808   1.8854   23.505   5.9868   28.500   8.1660   17.700   8.8030   15.058   2.3753   11.614   3.1364 3.444707 3.934280 
1 1 1    5   22   47 o   6.1361   1.7840   4.6575   2.7396   1.4000   3.2533   12.600   5.0800   4.7491   1.9047   9.9501   2.2186 -5.201007 2.924072 
1 1 1    5   22   48 o   18.387   1.7987   41.449   7.7097   38.200   10.743   44.900   11.071   17.243   2.7292   18.807   2.5594 -1.563478 3.741546 
1 1 1    5   22   49 o   11.876   2.5021   18.400   6.7951   18.400   6.7951   0.0000   0.0000   11.876   2.5021  ?   ?  0.000000 2.502089 
1 1 1    5   22   50 o   9.0013   2.4588   10.800   5.3743   10.800   5.3743   0.0000   0.0000   9.0013   2.4588  ?   ?  0.000000 2.458824 
1 1 1    5   22   51 o   6.7407   2.2084   5.8000   4.0549   5.8000   4.0549   0.0000   0.0000   6.7407   2.2084  ?   ?  0.000000 2.208435 
1 1 1    5   22   52 o   10.490   2.6720   15.600   6.6371   15.600   6.6371   0.0000   0.0000   10.490   2.6720  ?   ?  0.000000 2.671992 
1 1 1    5   22   53 o   6.0598   2.2648   4.2000   4.3607   4.2000   4.3607   0.0000   0.0000   6.0598   2.2648  ?   ?  0.000000 2.264795 
1 1 1    5   22   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   23    0 o   30.702   3.2181  115.000   22.744  115.000   22.744  115.000   22.744   30.702   3.2181   30.702   3.2181 -0.000000 0.000000 
1 1 1    5   23    1 o   57.974   3.1857  398.633   43.444  298.000   61.178  501.000   61.702   49.858   5.2765   64.935   4.0441 -15.07696 6.648000 
1 1 1    5   23    2 o  139.094   7.3215  2309.18  239.628  2573.70  339.546  2046.70  338.229  146.235   9.8911  129.991   11.126 16.24458 14.88706 
1 1 1    5   23    3 o  185.241   9.5104  4117.95  414.602  3465.30  585.153  4775.90  587.526  167.883   14.916  198.346   12.610 -30.46297 19.53167 
1 1 1    5   23    4 o  143.710   7.7379  2467.91  261.617  2377.30  369.806  2558.70  370.159  140.101   11.274  145.511   10.851 -5.409729 15.64723 
1 1 1    5   23    5 o   28.991   2.0117   99.776   13.687   81.800   18.992  119.200   19.742   26.114   3.1431   31.644   2.6669 -5.530409 4.122020 
1 1 1    5   23    6 f  178.653   9.4878  3832.15  398.822  3689.70  562.835  3975.80  565.210  173.673   13.839  180.530   13.353 -6.857101 19.23098 
1 1 1    5   23    7 o  173.027   9.4024  3594.72  382.719  3699.50  540.437  3489.30  542.060  174.133   13.242  168.891   13.710 5.241745 19.06124 
1 1 1    5   23    8 o   69.071   3.9191  566.474   63.658  577.100   89.922  555.800   90.129   69.526   5.5226   68.205   5.6469 1.320984 7.898510 
1 1 1    5   23    9 o   92.032   5.0725  1007.28  109.811  1016.00  155.004  998.500  155.589   92.100   7.1840   91.281   7.2789 0.8195114 10.22702 
1 1 1    5   23   10 o  102.506   5.2716  1249.69  127.168  1530.10  180.072  970.700  179.614  113.203   6.7674   89.719   8.5828 23.48386 10.92983 
1 1 1    5   23   11 o  159.401   8.5022  3046.38  318.868  3273.20  451.164  2820.00  450.732  164.144   11.717  151.928   12.680 12.21530 17.26427 
1 1 1    5   23   12 o  186.931   9.5005  4204.47  417.985  4914.00  591.844  3498.40  590.399  200.763   12.547  168.087   15.033 32.67601 19.58151 
1 1 1    5   23   13 o  195.315   10.518  4611.32  483.324  4781.50  683.692  4441.30  683.354  196.676   14.830  189.165   15.433 7.511444 21.40357 
1 1 1    5   23   14 o  166.587   8.5273  3332.24  334.318  3784.80  473.537  2882.50  472.059  176.423   11.428  153.117   13.185 23.30705 17.44814 
1 1 1    5   23   15 f  101.561   5.5221  1229.41  131.935  1314.90  186.628  1144.00  186.540  104.612   7.6070   97.402   8.1863 7.210213 11.17510 
1 1 1    5   23   16 o  188.070   9.8621  4281.53  436.450  4854.10  617.758  3710.90  616.710  198.350   13.266  172.065   15.339 26.28481 20.27995 
1 1 1    5   23   17 o  180.071   9.2437  3921.76  391.731  4566.50  554.701  3280.30  553.285  192.647   12.257  161.746   14.645 30.90062 19.09763 
1 1 1    5   23   18 o   31.754   1.9838  119.651   14.800  157.200   21.088   83.200   20.777   36.374   2.4698   26.281   3.4297 10.09217 4.226490 
1 1 1    5   23   19 f   61.713   3.4998  452.900   50.791  518.300   71.884  387.700   71.774   65.861   4.6520   56.780   5.4190 9.081833 7.141869 
1 1 1    5   23   20 o  124.826   6.7834  1876.34  199.198  1981.80  281.783  1771.00  281.634  127.149   9.4527  119.877   10.042 7.272621 13.79092 
1 1 1    5   23   21 o  109.556   5.9744  1442.93  153.973  1529.20  217.837  1356.80  217.665  111.877   8.3050  105.107   8.8524 6.770485 12.13823 
1 1 1    5   23   22 o   12.493   1.6256   18.763   4.6822   26.400   6.7549   11.700   6.4958   14.808   1.9815   9.7930   2.7147 5.014960 3.360961 
1 1 1    5   23   23 o   71.338   4.0345  608.344   67.685  625.300   95.736  591.400   95.705   71.900   5.6852   69.861   5.8555 2.039192 8.161372 
1 1 1    5   23   24 o   58.065   3.3824  402.395   46.177  406.200   65.345  398.600   65.263   58.025   4.8125   57.465   4.8549 0.5597420 6.835962 
1 1 1    5   23   25 o  132.460   7.3458  2160.21  228.867  2113.20  323.534  2207.30  323.801  128.021   10.803  131.109   10.548 -3.088364 15.09870 
1 1 1    5   23   26 o   39.451   2.5267  185.501   23.414  177.000   33.115  194.000   33.110   38.322   3.7057   40.173   3.5259 -1.851154 5.115132 
1 1 1    5   23   27 o   15.054   1.5860   27.115   5.5530   35.500   8.0220   19.400   7.6946   17.191   2.0143   12.541   2.6797 4.650496 3.352295 
1 1 1    5   23   28 o   95.580   5.3795  1113.66  120.921  1115.10  170.456  1112.20  171.564   94.087   7.7409   93.914   7.8071 0.1728439 10.99419 
1 1 1    5   23   29 o   55.913   3.3497  374.993   44.022  386.000   61.997  363.800   62.519   56.308   4.7059   54.583   4.9028 1.724373 6.795812 
1 1 1    5   23   30 o   97.140   5.3881  1156.38  123.108  1122.00  173.546  1191.20  174.663   93.737   7.9145   96.786   7.7062 -3.049065 11.04645 
1 1 1    5   23   31 o   29.027   2.0828  100.577   14.181   94.700   19.699  106.900   20.432   27.988   3.0289   29.774   2.9447 -1.785204 4.224381 
1 1 1    5   23   32 o   85.033   4.9104  887.836   98.178  910.200  138.426  865.200  139.268   84.460   7.0039   82.111   7.2574 2.348457 10.08586 
1 1 1    5   23   33 o   25.892   1.9324   80.124   11.729   72.800   16.345   87.900   16.842   24.485   2.8821   26.981   2.6789 -2.496117 3.934851 
1 1 1    5   23   34 o   76.754   4.5222  728.485   81.600  758.000  115.139  698.700  115.663   76.578   6.4267   73.163   6.7717 3.415245 9.335860 
1 1 1    5   23   35 o   20.435   1.8898   50.166   9.0157   58.400   12.662   41.700   12.840   21.933   2.4889   18.343   3.0731 3.590796 3.954554 
1 1 1    5   23   36 o   38.041   2.4993  174.599   22.326  170.100   31.571  179.100   31.577   37.101   3.6509   38.124   3.5484 -1.022671 5.091166 
1 1 1    5   23   37 o   24.133   1.8919   69.956   10.695   61.600   15.041   78.500   15.210   22.368   2.9172   25.398   2.5716 -3.029726 3.888849 
1 1 1    5   23   38 o   28.293   2.0608   96.369   13.674   89.700   19.021  103.500   19.669   26.987   3.0377   29.059   2.9054 -2.072136 4.203433 
1 1 1    5   23   39 f   50.853   3.1263  317.259   37.360  322.200   52.788  312.300   52.881   50.264   4.4949   49.409   4.5847 0.8556900 6.420556 
1 1 1    5   23   40 f   12.253   1.6709   18.237   4.7084   17.000   6.6238   19.500   6.6942   11.650   2.4837   12.526   2.3496 -0.8758020 3.418964 
1 1 1    5   23   41 o   46.938   2.9326  270.636   32.342  264.600   45.685  276.700   45.791   45.408   4.3124   46.524   4.2139 -1.115768 6.029345 
1 1 1    5   23   42 o   14.076   1.6654   24.029   5.4280   27.700   7.6990   20.400   7.6539   14.979   2.2459   12.710   2.6366 2.268308 3.463486 
1 1 1    5   23   43 o   50.130   3.1364  314.250   36.940  345.300   52.241  283.200   52.241   51.265   4.3568   45.793   4.9076 5.471466 6.562486 
1 1 1    5   23   44 o   13.135   1.6045   21.004   4.8731   26.300   6.9912   16.000   6.7961   14.582   2.0901   11.181   2.6199 3.401420 3.351476 
1 1 1    5   23   45 o   19.023   1.9073   44.260   8.4524   46.500   11.573   41.700   12.374   19.221   2.6180   18.008   3.0165 1.213150 3.994142 
1 1 1    5   23   46 o   29.054   1.9725  103.078   13.452   77.100   18.773  130.500   19.287   24.355   3.3531   32.364   2.5442 -8.009336 4.209038 
1 1 1    5   23   47 o   13.318   1.7465   21.823   5.3599   20.700   7.3485   23.100   7.8351   12.698   2.5396   13.421   2.5658 -0.7234259 3.610087 
1 1 1    5   23   48 o   19.309   1.8723   45.964   8.4296   48.200   11.758   43.600   12.091   19.394   2.6357   18.287   2.8967 1.107346 3.916358 
1 1 1    5   23   49 o   4.0279   1.6485   0.8000   2.4941   0.8000   2.4941   0.0000   0.0000   4.0279   1.6485  ?   ?  0.000000 1.648464 
1 1 1    5   23   50 o   19.096   2.7836   49.300   12.183   49.300   12.183   0.0000   0.0000   19.096   2.7836  ?   ?  0.000000 2.783624 
1 1 1    5   23   51 o   18.963   2.8999   50.300   12.572   50.300   12.572   0.0000   0.0000   18.963   2.8999  ?   ?  0.000000 2.899884 
1 1 1    5   23   52 o   8.3275   2.5793   9.7000   5.5938   9.7000   5.5938   0.0000   0.0000   8.3275   2.5793  ?   ?  0.000000 2.579259 
1 1 1    5   23   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   24    0 o   11.947   2.9813   19.700   7.2771   19.700   7.2771   19.700   7.2771   11.947   2.9813   11.947   2.9813 -0.000000 0.000000 
1 1 1    5   24    1 o  154.229   7.8729  2843.14  285.769  3317.90  405.323  2373.90  402.964  165.912   10.398  139.615   12.350 26.29732 16.14475 
1 1 1    5   24    2 o  170.267   8.1124  3458.61  326.168  2691.80  459.204  4239.40  463.368  148.402   13.243  187.577   10.503 -39.17442 16.90274 
1 1 1    5   24    3 o   43.376   2.4551  223.064   25.043  296.600   35.672  151.600   35.166   49.993   3.0361   35.527   4.2778 14.46532 5.245728 
1 1 1    5   24    4 f  105.944   5.5826  1335.47  139.168  1109.90  196.452  1562.70  197.176   95.983   8.7643  114.324   7.3428 -18.34055 11.43365 
1 1 1    5   24    5 o   59.463   3.4610  419.692   48.386  407.100   68.273  432.400   68.585   58.390   4.9999   60.207   4.8658 -1.817142 6.976721 
1 1 1    5   24    6 o  223.098   12.098  6035.21  634.962  6819.60  897.910  5250.60  898.034  234.735   16.300  204.259   18.831 30.47629 24.90572 
1 1 1    5   24    7 f   65.062   3.7998  502.709   58.124  585.800   82.097  419.200   82.303   70.116   4.9910   59.112   5.9785 11.00432 7.788010 
1 1 1    5   24    8 o   45.938   2.5841  250.236   27.917  205.000   39.178  296.900   39.791   41.413   4.0585   49.982   3.3915 -8.569138 5.288978 
1 1 1    5   24    9 o   58.140   3.2497  401.100   44.437  481.900   62.922  320.700   62.766   63.648   4.2103   51.734   5.2087 11.91373 6.697527 
1 1 1    5   24   10 o  292.667   16.081 10624.93  1107.11 10320.70  1565.13 10929.60  1566.25  280.526   23.854  289.613   23.094 -9.087158 33.20160 
1 1 1    5   24   11 o   76.563   4.0387  696.152   72.758  811.300  103.143  582.100  102.651   82.504   5.3226   69.674   6.3076 12.82976 8.253229 
1 1 1    5   24   12 o   95.411   5.1073  1083.38  114.650  1230.50  162.291  936.800  161.988  101.400   6.8175   88.201   7.8599 13.19886 10.40465 
1 1 1    5   24   13 o  175.901   9.2512  3729.41  382.912  4149.80  541.934  3310.30  541.105  184.034   12.545  163.458   14.159 20.57651 18.91712 
1 1 1    5   24   14 o  172.188   9.2589  3578.26  375.083  3690.50  530.770  3466.30  530.125  173.032   13.087  167.428   13.524 5.604446 18.81950 
1 1 1    5   24   15 o  108.124   5.7572  1395.41  146.465  1642.20  207.316  1149.50  206.949  116.886   7.5516   97.282   9.1152 19.60419 11.83693 
1 1 1    5   24   16 o   37.154   2.4102  163.926   21.032  179.800   29.765  148.100   29.721   38.830   3.2769   35.169   3.6311 3.661282 4.891104 
1 1 1    5   24   17 o  103.959   5.6026  1291.85  137.029  1392.60  193.933  1191.40  193.643  107.378   7.6996   99.075   8.3550 8.302505 11.36174 
1 1 1    5   24   18 o  138.800   7.4015  2323.70  241.713  2583.90  342.097  2064.30  341.571  145.125   10.044  128.977   11.330 16.14790 15.14132 
1 1 1    5   24   19 o  110.250   5.8535  1458.13  151.845  1667.70  214.955  1249.40  214.527  117.227   7.8100  100.889   9.1029 16.33791 11.99409 
1 1 1    5   24   20 o   82.240   4.5288  808.235   87.609  891.100  123.984  725.600  123.813   85.944   6.1499   77.303   6.8538 8.640945 9.208482 
1 1 1    5   24   21 o   56.368   3.2951  378.496   43.668  405.800   61.761  351.200   61.752   58.150   4.5337   53.996   4.8964 4.154354 6.673010 
1 1 1    5   24   22 o   8.1330   1.7384   8.1233   3.2373   4.7000   4.6292   11.400   4.5290   6.7203   2.3580   9.6320   2.0539 -2.911716 3.127131 
1 1 1    5   24   23 o   64.393   3.6270  495.330   54.925  552.800   77.757  438.100   77.595   67.724   4.8952   60.072   5.5323 7.651993 7.387094 
1 1 1    5   24   24 o   5.5740   1.7965   3.5671   2.6890  -2.2000   3.9186   8.7000   3.6968   4.1447   1.8738   8.4064   1.9062 -4.261701 2.672967 
1 1 1    5   24   25 o   44.889   2.7712  240.352   29.230  231.600   41.343  249.100   41.332   43.808   4.0421   45.482   3.8857 -1.673820 5.606937 
1 1 1    5   24   26 o   17.337   1.7447   35.944   7.0454   34.700   9.9410   37.200   9.9866   16.903   2.5716   17.530   2.4819 -0.6265659 3.573952 
1 1 1    5   24   27 o   24.749   1.9549   73.044   11.331   67.400   16.016   78.700   16.034   23.613   2.9357   25.586   2.6943 -1.972559 3.984706 
1 1 1    5   24   28 o   53.640   3.1856  344.647   40.169  341.500   56.782  347.800   56.834   52.993   4.5828   53.496   4.5420 -0.5035248 6.452229 
1 1 1    5   24   29 o   29.954   2.1312  107.037   14.976   98.900   21.163  115.200   21.197   28.600   3.1879   30.944   2.9361 -2.343966 4.333974 
1 1 1    5   24   30 o   51.944   3.0831  323.703   37.648  311.600   52.927  336.100   53.564   50.517   4.4834   52.526   4.3579 -2.008858 6.252431 
1 1 1    5   24   31 o  156.330   9.1814  3253.16  337.446  3135.30  476.140  3372.10  478.308  142.539   14.341  149.281   13.722 -6.742630 19.84852 
1 1 1    5   24   32 o   32.241   2.2594  124.430   17.093  123.800   23.813  125.100   24.550   31.943   3.2001   32.088   3.2863 -0.1455574 4.587000 
1 1 1    5   24   33 o   20.860   1.9614   52.231   9.5481   59.700   13.265   44.200   13.755   22.190   2.5796   18.905   3.1950 3.285381 4.106389 
1 1 1    5   24   34 o   35.340   2.3018  149.986   19.104  138.800   26.767  161.600   27.275   33.650   3.4160   36.409   3.2051 -2.759239 4.684194 
1 1 1    5   24   35 o   69.895   4.0126  604.013   65.949  575.500   92.805  633.100   93.734   66.438   5.9796   69.974   5.7229 -3.536201 8.276907 
1 1 1    5   24   36 o   23.995   1.9304   69.187   10.845   72.600   15.367   65.800   15.309   24.381   2.7152   23.155   2.8607 1.226120 3.944058 
1 1 1    5   24   37 f   40.683   2.5869  200.508   24.723  181.800   34.925  219.300   35.003   38.100   3.9388   42.093   3.5549 -3.992603 5.305751 
1 1 1    5   24   38 o   70.196   4.1731  619.052   68.861  621.400   97.343  616.700   97.426   68.040   6.1243   67.736   6.1583 0.3032150 8.685186 
1 1 1    5   24   39 o   4.8224   1.5560   2.6914   2.0168   5.4000   3.0554   0.6000   2.6848   6.6310   1.8703   4.1259   1.7020 2.505053 2.528751 
1 1 1    5   24   40 o   18.972   1.7918   43.415   7.9324   40.600   11.249   46.200   11.188   18.094   2.7166   19.390   2.5017 -1.295883 3.693050 
1 1 1    5   24   41 o   17.327   1.7376   36.293   7.0138   37.200   9.9574   35.400   9.8809   17.334   2.5054   16.885   2.5583 0.4484520 3.580790 
1 1 1    5   24   42 o   33.121   2.2998  133.799   17.875  135.500   25.288  132.100   25.271   32.783   3.3121   32.337   3.3585 0.4457626 4.716959 
1 1 1    5   24   43 o   20.584   1.8041   51.377   8.6806   62.000   12.319   40.900   12.234   22.429   2.3615   17.929   2.9954 4.500277 3.814294 
1 1 1    5   24   44 o   8.9941   1.7375   10.063   3.5565   8.9000   5.0592   11.200   5.0008   8.4074   2.4185   9.3915   2.2783 -0.9841452 3.322615 
1 1 1    5   24   45 o   13.354   1.7074   21.837   5.2607   17.300   7.3507   26.600   7.5320   11.570   2.7339   14.582   2.2606 -3.012667 3.547470 
1 1 1    5   24   46 o   16.300   1.8760   32.651   7.0892   35.400   9.6312   29.400   10.473   16.735   2.5150   14.993   3.0617 1.742305 3.962248 
1 1 1    5   24   47 o   13.389   1.7598   22.100   5.4291   22.100   7.3768   22.100   8.0191   13.138   2.4684   13.052   2.6912 0.8610153E-01 3.651788 
1 1 1    5   24   48 o   14.299   2.5843   26.600   8.4045   26.600   8.4045   0.0000   0.0000   14.299   2.5843  ?   ?  0.000000 2.584272 
1 1 1    5   24   49 o   11.523   2.5022   17.700   6.6137   17.700   6.6137   0.0000   0.0000   11.523   2.5022  ?   ?  0.000000 2.502245 
1 1 1    5   24   50 o   11.508   2.5573   18.100   6.7690   18.100   6.7690   0.0000   0.0000   11.508   2.5573  ?   ?  0.000000 2.557303 
1 1 1    5   24   51 o   14.211   2.7615   28.400   8.9331   28.400   8.9331   0.0000   0.0000   14.211   2.7615  ?   ?  0.000000 2.761508 
1 1 1    5   24   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   24   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   25    0 o   54.196   4.6781  355.100   58.842  355.100   58.842  355.100   58.842   54.196   4.6781   54.196   4.6781 0.000000 0.000000 
1 1 1    5   25    1 o   36.481   2.1409  157.795   18.362  203.100   26.393  115.300   25.562   41.360   2.7175   31.015   3.5544 10.34527 4.474205 
1 1 1    5   25    2 o   51.236   3.0455  311.527   36.681  332.800   51.964  290.400   51.786   52.847   4.1986   49.307   4.4973 3.540203 6.152565 
1 1 1    5   25    3 o  176.153   9.4360  3729.67  391.075  3955.00  553.535  3505.10  552.594  179.953   13.117  168.974   13.975 10.97842 19.16606 
1 1 1    5   25    4 o  204.683   10.180  5035.53  492.027  3945.10  694.165  6136.50  697.510  177.854   16.725  224.238   13.231 -46.38411 21.32602 
1 1 1    5   25    5 o   84.823   4.7183  855.451   94.132  851.600  133.143  859.300  133.103   84.327   6.7428   84.716   6.7085 -0.3892899 9.511566 
1 1 1    5   25    6 o   74.513   4.0461  659.404   70.925  737.700  100.690  582.300   99.921   78.647   5.4555   69.727   6.1309 8.920212 8.206778 
1 1 1    5   25    7 o  125.460   6.3290  1876.76  186.896  2215.30  265.457  1544.00  263.181  135.871   8.3138  112.911   9.9734 22.96027 12.98411 
1 1 1    5   25    8 o   70.206   4.0523  585.656   66.894  622.800   94.343  548.100   94.864   72.207   5.5763   67.646   6.0011 4.561523 8.191966 
1 1 1    5   25    9 o  180.566   9.6589  3929.19  410.345  3761.20  579.960  4097.60  580.672  174.620   14.188  182.637   13.561 -8.016602 19.62634 
1 1 1    5   25   10 o  157.261   8.3884  2969.77  310.378  3216.10  439.142  2723.90  438.741  162.489   11.520  149.028   12.585 13.46082 17.06135 
1 1 1    5   25   11 o  134.887   7.2894  2178.84  231.318  2270.30  327.158  2087.40  327.109  136.791   10.202  130.969   10.670 5.822144 14.76207 
1 1 1    5   25   12 o   30.319   2.1567  109.199   15.340  107.700   21.686  110.700   21.702   30.010   3.1051   30.435   3.0613 -0.4251232 4.360407 
1 1 1    5   25   13 o   81.109   4.4313  782.737   84.551  686.900  119.472  878.900  119.675   75.562   6.7674   85.709   5.9499 -10.14683 9.011118 
1 1 1    5   25   14 o  104.646   5.5670  1307.19  137.069  1445.80  194.100  1169.30  193.591  109.585   7.5469   98.253   8.4255 11.33104 11.31128 
1 1 1    5   25   15 o  126.015   6.4593  1902.60  191.561  2221.70  271.397  1585.80  270.421  135.489   8.5263  113.769   10.173 21.71999 13.27378 
1 1 1    5   25   16 f   85.557   4.7415  873.248   95.420  870.500  134.884  876.000  135.004   84.970   6.7790   85.244   6.7624 -0.2744141 9.575214 
1 1 1    5   25   17 o  172.246   9.0126  3615.14  365.299  4194.80  517.132  3037.80  516.093  183.420   12.006  154.238   14.334 29.18263 18.69787 
1 1 1    5   25   18 o   96.306   5.3002  1110.99  120.069  1171.50  169.821  1050.50  169.786   98.256   7.3731   92.859   7.8158 5.397369 10.74471 
1 1 1    5   25   19 o  119.806   6.4106  1731.86  180.703  1903.30  255.806  1561.10  255.301  124.479   8.7584  112.164   9.7357 12.31566 13.09557 
1 1 1    5   25   20 o   48.612   2.9297  281.291   33.473  272.500   47.314  290.100   47.362   47.629   4.2515   49.180   4.1161 -1.550720 5.917570 
1 1 1    5   25   21 o   73.456   4.0439  645.213   69.873  570.300   98.660  720.600   98.971   68.463   6.1690   77.251   5.4607 -8.788460 8.238665 
1 1 1    5   25   22 o   29.502   2.1192  103.599   14.665  105.700   20.743  101.500   20.736   29.683   3.0007   29.071   3.0671 0.6122818 4.290787 
1 1 1    5   25   23 o   66.526   3.7309  529.618   58.372  593.800   82.635  465.700   82.465   70.083   5.0267   61.803   5.7154 8.279629 7.611400 
1 1 1    5   25   24 o  104.989   5.7658  1341.94  142.397  1224.90  201.238  1459.30  201.522   98.382   8.7538  108.055   7.9538 -9.673279 11.82759 
1 1 1    5   25   25 o   73.676   4.1143  652.784   71.293  708.500  100.929  597.300  100.719   76.163   5.6522   69.666   6.1869 6.497223 8.380017 
1 1 1    5   25   26 o   10.195   1.7049   12.637   3.9593   21.300   5.7257   4.7000   5.4809   13.278   1.8786   6.9946   2.5523 6.283339 3.169103 
1 1 1    5   25   27 o   45.662   2.8126  249.191   30.179  253.800   42.721  244.600   42.639   45.807   3.9894   44.943   4.0617 0.8635635 5.693195 
1 1 1    5   25   28 o   56.647   3.2752  384.861   43.624  352.200   61.609  417.700   61.777   53.657   4.9172   58.629   4.4965 -4.972267 6.663165 
1 1 1    5   25   29 o   82.931   4.5312  836.161   88.399  939.100  125.222  733.900  124.809   86.873   6.1439   76.157   7.0192 10.71632 9.328254 
1 1 1    5   25   30 o   77.525   4.4117  731.782   80.429  753.100  113.792  710.500  113.695   77.473   6.2740   75.096   6.4748 2.377365 9.015892 
1 1 1    5   25   31 o   15.053   1.5934   27.169   5.5780   34.400   8.0220   20.400   7.7614   16.886   2.0541   12.838   2.6482 4.048564 3.351517 
1 1 1    5   25   32 o   82.555   4.7065  842.925   91.369  803.000  129.094  883.000  129.335   78.414   7.0471   82.638   6.6851 -4.224106 9.713562 
1 1 1    5   25   33 o   15.612   1.7394   29.334   6.3035   33.300   8.8766   25.300   8.9529   16.531   2.3393   14.280   2.7548 2.250259 3.614078 
1 1 1    5   25   34 o   25.488   2.0086   77.983   11.991   82.600   16.898   73.300   17.019   26.043   2.7912   24.455   3.0108 1.588810 4.105590 
1 1 1    5   25   35 f   21.992   1.8766   58.110   9.6522   59.700   13.608   56.500   13.693   22.105   2.6604   21.467   2.7655 0.6381435 3.837403 
1 1 1    5   25   36 o   48.163   2.9936  282.874   33.878  301.600   47.881  264.100   47.942   49.018   4.1764   45.629   4.5085 3.389721 6.145645 
1 1 1    5   25   37 o   31.149   2.2008  116.999   16.084  111.800   22.743  122.200   22.749   30.078   3.2540   31.524   3.0960 -1.446236 4.491459 
1 1 1    5   25   38 o   14.230   1.7119   24.495   5.6368   23.600   7.9506   25.400   7.9928   13.775   2.5377   14.325   2.4510 -0.5498018 3.528107 
1 1 1    5   25   39 o   15.959   1.7152   30.749   6.3625   30.800   9.0632   30.700   8.9340   15.779   2.5170   15.762   2.4824 0.1688766E-01 3.535218 
1 1 1    5   25   40 o   25.538   1.9872   78.797   11.889   87.200   16.817   70.400   16.811   26.621   2.7132   23.756   3.0684 2.864655 4.095919 
1 1 1    5   25   41 o   14.246   1.6906   24.635   5.5762   27.000   7.9111   22.300   7.8609   14.750   2.3503   13.308   2.5947 1.441580 3.500858 
1 1 1    5   25   42 o   40.778   2.6520  204.945   25.398  198.100   35.905  211.800   35.930   39.123   3.9402   40.590   3.7926 -1.467491 5.468957 
1 1 1    5   25   43 o   36.136   2.4138  160.730   20.479  173.300   29.043  148.300   28.880   36.830   3.3771   33.819   3.6756 3.011131 4.991448 
1 1 1    5   25   44 o   16.277   1.7491   32.313   6.6172   30.500   9.3927   34.100   9.3240   15.494   2.6633   16.477   2.4728 -0.9833879 3.634247 
1 1 1    5   25   45 o   18.204   1.8780   40.563   7.9566   45.100   11.062   35.700   11.453   18.944   2.5367   16.607   3.0323 2.337000 3.953385 
1 1 1    5   25   46 o   10.520   1.7779   13.757   4.2592   13.400   5.7228   14.200   6.3770   10.211   2.4119   10.473   2.5925 -0.2621918 3.540937 
1 1 1    5   25   47 f   40.313   2.8444  208.580   26.904  233.100   37.872  183.600   38.226   41.164   3.9445   35.554   4.6657 5.609959 6.109645 
1 1 1    5   25   48 o   20.053   2.7731   53.000   12.780   53.000   12.780   0.0000   0.0000   20.053   2.7731  ?   ?  0.000000 2.773097 
1 1 1    5   25   49 o   23.482   3.0532   76.200   16.529   76.200   16.529   0.0000   0.0000   23.482   3.0532  ?   ?  0.000000 3.053188 
1 1 1    5   25   50 o   9.7280   2.4748   13.000   5.6986   13.000   5.6986   0.0000   0.0000   9.7280   2.4748  ?   ?  0.000000 2.474819 
1 1 1    5   25   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   25   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   26    0 o   54.800   4.7226  363.100   60.067  363.100   60.067  363.100   60.067   54.800   4.7226   54.800   4.7226 0.000000 0.000000 
1 1 1    5   26    1 o  104.564   5.5732  1301.89  137.113  1436.30  194.352  1168.70  193.466  109.468   7.5650   98.512   8.3969 10.95673 11.30212 
1 1 1    5   26    2 f   92.264   5.0932  1012.92  110.535  1039.90  156.266  985.900  156.374   93.143   7.1597   90.636   7.3702 2.506355 10.27522 
1 1 1    5   26    3 o  245.531   13.330  7371.45  769.937  7753.70  1089.57  6990.20  1088.14  247.736   18.765  234.253   19.858 13.48274 27.32165 
1 1 1    5   26    4 o  274.685   15.081  9313.01  974.474  9664.30  1378.78  8962.40  1377.45  273.838   21.495  262.705   22.419 11.13336 31.05923 
1 1 1    5   26    5 o  107.360   4.8799  1367.08  123.715  1831.70  176.286  916.200  173.661  124.126   6.0144   87.081   8.5557 37.04456 10.45820 
1 1 1    5   26    6 o  139.450   7.2835  2326.20  239.006  1977.20  337.380  2677.80  338.634  127.332   11.339  148.927   9.6819 -21.59469 14.91038 
1 1 1    5   26    7 o   53.765   3.2037  343.221   40.489  364.900   57.232  321.500   57.289   55.308   4.4191   51.851   4.7311 3.456844 6.473924 
1 1 1    5   26    8 o  230.654   12.422  6504.88  674.058  6772.50  954.908  6239.10  951.624  231.434   17.605  221.451   18.364 9.982849 25.43957 
1 1 1    5   26    9 o  191.206   10.216  4428.08  459.596  4826.10  650.269  4030.80  649.666  197.475   14.036  179.502   15.478 17.97284 20.89499 
1 1 1    5   26   10 o  132.490   7.0688  2102.45  220.352  2265.40  311.863  1940.00  311.388  136.693   9.7252  126.148   10.550 10.54542 14.34879 
1 1 1    5   26   11 o   67.502   3.6793  541.383   58.425  445.600   82.489  637.800   82.762   60.909   5.8056   73.130   4.8196 -12.22166 7.545398 
1 1 1    5   26   12 o  112.830   5.8006  1520.54  154.024  1773.30  218.132  1269.20  217.515  121.374   7.6500  102.170   9.1114 19.20364 11.89703 
1 1 1    5   26   13 o   39.610   2.5415  186.351   23.646  186.200   33.522  186.500   33.359   39.470   3.6376   39.505   3.6162 -0.3487015E-01 5.129190 
1 1 1    5   26   14 o   42.188   2.6263  211.418   26.034  217.300   36.919  205.600   36.716   42.648   3.7027   41.463   3.7921 1.184986 5.299987 
1 1 1    5   26   15 o   49.194   2.8759  287.536   33.262  254.100   46.925  321.300   47.155   46.033   4.3692   51.886   3.8767 -5.852772 5.841159 
1 1 1    5   26   16 o  115.477   6.1047  1601.80  165.871  1850.10  234.789  1354.40  234.367  123.345   8.1062  104.838   9.5727 18.50698 12.54379 
1 1 1    5   26   17 o   75.144   4.0323  673.373   71.290  777.800  101.051  569.900  100.588   80.487   5.3473   68.608   6.2784 11.87829 8.246924 
1 1 1    5   26   18 o   92.848   5.1388  1034.25  112.229  1080.70  158.722  987.800  158.708   94.214   7.1887   89.912   7.5449 4.301796 10.42125 
1 1 1    5   26   19 o   36.562   2.3725  158.986   20.372  170.800   28.890  147.300   28.733   37.783   3.2703   35.028   3.5215 2.755581 4.805804 
1 1 1    5   26   20 o   74.496   4.2027  664.496   73.628  668.800  104.179  660.200  104.073   74.208   5.9965   73.715   6.0317 0.4932785 8.505234 
1 1 1    5   26   21 o   76.306   4.2857  698.271   76.909  758.300  108.792  638.300  108.740   79.005   5.8735   72.240   6.4422 6.765411 8.717765 
1 1 1    5   26   22 o   53.021   3.1239  335.561   38.939  372.500   55.096  298.700   55.039   55.632   4.2256   49.651   4.7525 5.981236 6.359410 
1 1 1    5   26   23 o   50.674   3.0246  306.625   36.027  283.200   50.923  330.100   50.977   48.356   4.5117   52.331   4.1596 -3.974758 6.136605 
1 1 1    5   26   24 o   8.8976   1.7097   9.6877   3.4617   14.000   5.0623   5.9000   4.7444   10.686   2.0809   7.2310   2.3898 3.455376 3.168804 
1 1 1    5   26   25 o   30.363   2.1550  109.898   15.351  109.200   21.685  110.600   21.733   30.114   3.0934   30.311   3.0792 -0.1968575 4.364663 
1 1 1    5   26   26 o   65.674   3.7673  518.667   58.180  480.900   82.243  556.500   82.314   62.531   5.6301   67.490   5.2053 -4.958405 7.667681 
1 1 1    5   26   27 o   44.804   2.7361  239.942   28.809  256.800   40.812  223.200   40.671   46.108   3.7817   42.888   4.0645 3.220043 5.551725 
1 1 1    5   26   28 o   63.202   3.5855  480.956   53.290  432.200   75.254  530.000   75.475   59.150   5.4490   65.819   4.8911 -6.668491 7.322191 
1 1 1    5   26   29 o   59.646   3.4998  428.807   49.078  451.200   69.397  406.400   69.417   60.612   4.8902   57.370   5.1800 3.241764 7.123647 
1 1 1    5   26   30 o   33.854   2.3036  137.145   18.306  138.900   25.923  135.400   25.853   33.841   3.2855   33.398   3.3222 0.4428520 4.672381 
1 1 1    5   26   31 o   73.843   4.2657  668.846   74.065  677.100  104.772  660.600  104.715   72.863   6.1469   71.893   6.2298 0.9695587 8.751806 
1 1 1    5   26   32 f   49.676   3.0233  298.500   35.296  299.100   49.925  297.900   49.907   49.109   4.3503   49.005   4.3582 0.1034088 6.157878 
1 1 1    5   26   33 o   21.445   1.8926   55.214   9.4856   63.400   13.363   46.900   13.467   22.855   2.5178   19.489   3.0242 3.366209 3.935116 
1 1 1    5   26   34 f   17.602   1.7589   37.264   7.2128   37.900   10.091   36.600   10.313   17.593   2.4993   17.255   2.6130 0.3382072 3.615818 
1 1 1    5   26   35 o   11.554   1.7316   16.252   4.5787   20.200   6.3954   12.100   6.5582   12.811   2.1929   9.8565   2.7260 2.954475 3.498611 
1 1 1    5   26   36 o   10.644   1.7272   13.846   4.1924   17.700   5.8944   9.9000   5.9640   11.975   2.1642   8.9726   2.6389 3.002022 3.412903 
1 1 1    5   26   37 o   51.144   3.0645  320.064   36.839  344.100   52.192  296.200   52.006   52.193   4.2722   48.129   4.6332 4.063816 6.302272 
1 1 1    5   26   38 o   7.6414   1.6411   7.2261   2.8728   12.200   4.1384   2.6000   3.9910   9.9515   1.8284   5.6147   2.1511 4.336881 2.823227 
1 1 1    5   26   39 o   27.947   2.0810   94.384   13.635   96.200   19.367   92.600   19.198   27.884   2.9879   27.336   3.0248 0.5475597 4.251698 
1 1 1    5   26   40 o   18.410   1.7414   40.943   7.4805   49.700   10.614   32.300   10.545   20.152   2.2700   16.001   2.8974 4.150246 3.680711 
1 1 1    5   26   41 o   12.143   1.6764   17.993   4.6787   18.400   6.6735   17.600   6.5613   12.092   2.4216   11.818   2.4322 0.2741919 3.432170 
1 1 1    5   26   42 o   9.0331   1.7728   10.149   3.6464   9.8000   5.1462   10.500   5.1676   8.8064   2.4063   9.1029   2.3780 -0.2964773 3.383054 
1 1 1    5   26   43 o   18.539   1.7620   41.804   7.6207   50.100   10.807   33.600   10.748   20.108   2.3186   16.187   2.9191 3.920494 3.727848 
1 1 1    5   26   44 o   23.156   2.0667   65.755   11.182   77.400   15.615   53.500   16.019   24.821   2.7081   20.190   3.4860 4.631477 4.414327 
1 1 1    5   26   45 f   17.543   1.8785   37.763   7.6609   43.600   10.648   31.500   11.030   18.617   2.4841   15.504   3.1208 3.112751 3.988774 
1 1 1    5   26   46 o   14.214   1.8519   24.993   6.0682   28.500   8.3164   21.000   8.8743   14.963   2.4376   12.577   3.0251 2.386001 3.884969 
1 1 1    5   26   47 o   5.3110   1.8976   3.0424   3.0099   6.4000   3.5771  -5.1000   5.5704   7.0957   2.0315   4.4602   2.0922 2.635506 2.916165 
1 1 1    5   26   48 o   16.763   2.6723   37.400   10.223   37.400   10.223   0.0000   0.0000   16.763   2.6723  ?   ?  0.000000 2.672312 
1 1 1    5   26   49 o   20.026   2.9003   55.500   13.316   55.500   13.316   0.0000   0.0000   20.026   2.9003  ?   ?  0.000000 2.900306 
1 1 1    5   26   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   26   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   27    0 o  169.014   13.311  3495.80  523.657  3495.80  523.657  3495.80  523.657  169.014   13.311  169.014   13.311 0.000000 0.000000 
1 1 1    5   27    1 o  177.976   9.6729  3823.79  404.994  3660.70  572.915  3986.70  572.581  171.951   14.238  179.856   13.582 -7.905594 19.67715 
1 1 1    5   27    2 o  223.408   11.699  6078.15  615.009  5207.70  868.044  6955.50  871.475  202.279   18.373  236.196   15.715 -33.91628 24.17717 
1 1 1    5   27    3 o   79.966   4.3887  760.350   82.555  700.700  116.412  820.700  117.092   76.422   6.5130   82.838   6.0273 -6.416382 8.873954 
1 1 1    5   27    4 o  113.729   6.2056  1544.35  166.025  1547.20  234.731  1541.50  234.858  113.188   8.8528  112.971   8.8754 0.2166824 12.53571 
1 1 1    5   27    5 o  127.999   6.7163  1958.97  202.292  2198.60  286.854  1721.90  285.321  134.951   9.0542  118.973   10.256 15.97761 13.68092 
1 1 1    5   27    6 o  109.927   5.9947  1442.63  155.021  1383.80  219.014  1501.70  219.452  106.990   8.7454  111.582   8.3902 -4.592560 12.11934 
1 1 1    5   27    7 o  277.347   15.386  9617.53  1003.71  9146.50  1418.59 10089.70  1420.32  261.421   23.222  276.345   21.946 -14.92456 31.95166 
1 1 1    5   27    8 o   58.650   3.4010  408.666   46.899  415.600   66.491  401.800   66.161   58.966   4.8174   57.962   4.8792 1.003380 6.856664 
1 1 1    5   27    9 o  135.705   7.3950  2211.94  236.078  2095.00  333.987  2328.70  333.742  130.755   10.917  138.167   10.303 -7.412155 15.01130 
1 1 1    5   27   10 o   47.883   2.9424  272.380   33.109  246.700   46.896  297.900   46.750   45.373   4.4337   49.961   3.9961 -4.588135 5.968776 
1 1 1    5   27   11 o  118.305   6.3837  1677.67  177.676  1516.30  251.170  1839.30  251.375  111.377   9.6453  123.115   8.7027 -11.73808 12.99114 
1 1 1    5   27   12 o   60.115   3.3481  429.567   47.338  506.100   67.049  353.500   66.844   65.121   4.3858   54.218   5.2884 10.90258 6.870353 
1 1 1    5   27   13 o  114.743   6.2652  1580.59  169.112  1509.00  239.150  1652.20  239.172  111.050   9.2028  116.417   8.7646 -5.366669 12.70864 
1 1 1    5   27   14 o   71.822   4.0542  614.866   68.477  610.500   96.467  619.300   97.218   71.217   5.7864   71.731   5.7889 -0.5143661 8.184947 
1 1 1    5   27   15 o  143.953   7.7910  2517.68  263.849  2725.70  373.339  2310.10  372.938  147.943   10.761  135.449   11.777 12.49399 15.95283 
1 1 1    5   27   16 o   91.806   5.0023  1009.98  108.034  1104.90  152.918  915.400  152.647   95.443   6.8302   86.572   7.5424 8.870682 10.17539 
1 1 1    5   27   17 o   76.830   4.3168  705.999   77.999  713.200  110.316  698.800  110.297   76.724   6.1405   75.920   6.2067 0.8036575 8.730856 
1 1 1    5   27   18 o   82.468   4.4959  814.927   87.221  977.900  123.434  652.400  123.265   89.923   5.8447   72.878   7.2594 17.04550 9.319881 
1 1 1    5   27   19 o   34.280   2.3118  139.853   18.604  140.600   26.261  139.100   26.360   34.235   3.2890   34.044   3.3213 0.1902542 4.674204 
1 1 1    5   27   20 o   37.671   2.4250  168.951   21.457  184.300   30.394  153.700   30.297   39.218   3.3130   35.730   3.6417 3.487591 4.923247 
1 1 1    5   27   21 o   34.919   2.3307  145.232   19.107  157.100   27.043  133.400   27.001   36.191   3.1973   33.274   3.4884 2.916981 4.731970 
1 1 1    5   27   22 o   89.703   4.9251  972.669  103.925  874.600  146.837  1071.10  147.108   83.768   7.5027   93.227   6.7276 -9.458694 10.07726 
1 1 1    5   27   23 o   78.805   4.4482  748.948   82.438  750.500  116.647  747.400  116.523   78.032   6.3865   77.865   6.3937 0.1661606 9.036994 
1 1 1    5   27   24 o   17.633   1.7433   37.178   7.1634   39.200   10.187   35.200   10.075   18.003   2.4608   17.020   2.5885 0.9829178 3.571497 
1 1 1    5   27   25 o   38.109   2.4488  173.286   21.920  151.300   30.954  195.400   31.044   35.335   3.7678   40.316   3.2896 -4.980457 5.001814 
1 1 1    5   27   26 o   77.931   4.2800  734.383   78.460  643.800  110.797  825.500  111.123   71.785   6.6106   81.858   5.7861 -10.07317 8.785135 
1 1 1    5   27   27 o   85.531   4.8213  892.358   96.979  947.600  137.200  837.200  137.097   86.842   6.7434   81.243   7.2215 5.598862 9.880498 
1 1 1    5   27   28 o   28.256   2.0855   95.359   13.817   72.900   19.544  117.800   19.536   24.403   3.4910   31.318   2.6671 -6.914774 4.393241 
1 1 1    5   27   29 o   64.172   3.6702  498.712   55.384  453.100   78.207  544.600   78.444   60.185   5.5660   66.345   5.0449 -6.159485 7.512101 
1 1 1    5   27   30 o  120.997   7.1961  1907.42  204.677  1868.60  289.922  1946.00  288.995  113.002   11.005  115.978   10.672 -2.976540 15.32965 
1 1 1    5   27   31 o   23.904   1.9615   68.495   10.974   64.200   15.603   72.700   15.438   22.917   2.9519   24.468   2.7179 -1.551460 4.012578 
1 1 1    5   27   32 o   17.789   1.7676   38.021   7.3269   39.000   10.526   37.100   10.205   17.852   2.5710   17.407   2.5592 0.4456272 3.627637 
1 1 1    5   27   33 o   22.927   1.8305   63.035   9.8274   52.600   13.791   73.800   14.008   20.676   2.9049   24.682   2.4351 -4.006573 3.790509 
1 1 1    5   27   34 o   26.682   2.0242   85.590   12.659   81.000   17.884   90.200   17.921   25.677   3.0065   27.169   2.8352 -1.491945 4.132477 
1 1 1    5   27   35 o   15.932   1.7458   30.616   6.4603   33.100   9.3002   28.300   8.9805   16.408   2.4775   15.113   2.6108 1.294575 3.599244 
1 1 1    5   27   36 o   44.414   2.8327  240.247   29.554  251.700   41.709  228.700   41.881   44.810   3.9833   42.547   4.2244 2.262905 5.806270 
1 1 1    5   27   37 o   43.440   2.7278  229.700   27.839  222.500   39.236  237.000   39.506   42.038   4.0008   43.468   3.8899 -1.430466 5.580162 
1 1 1    5   27   38 o   38.624   2.5657  181.542   23.268  190.300   32.828  172.700   32.984   38.997   3.6057   37.004   3.8303 1.993477 5.260477 
1 1 1    5   27   39 o   26.052   2.0201   82.106   12.330   85.800   17.423   78.400   17.452   26.332   2.8473   25.094   3.0049 1.238108 4.139628 
1 1 1    5   27   40 o   29.697   2.1255  107.100   14.807  114.500   21.011   99.800   20.869   30.320   2.9729   28.177   3.1929 2.142225 4.362682 
1 1 1    5   27   41 o   13.875   1.7005   23.450   5.4550   23.900   7.7146   23.000   7.7146   13.794   2.4585   13.510   2.5107 0.2846117 3.513966 
1 1 1    5   27   42 f   9.0371   1.7349   10.150   3.5677   14.900   5.0455   5.4000   5.0455   10.921   2.0312   6.9949   2.4613 3.926376 3.191220 
1 1 1    5   27   43 o   24.751   1.9821   74.800   11.487   74.800   16.249   74.800   16.242   24.315   2.8864   24.316   2.8850 -0.8201599E-03 4.080989 
1 1 1    5   27   44 o   24.948   2.0238   76.269   11.820   75.400   16.437   77.200   17.008   24.340   2.9180   24.589   2.9908 -0.2483044 4.178495 
1 1 1    5   27   45 o   30.809   2.3026  117.756   16.631  125.300   23.358  110.000   23.683   31.084   3.2294   28.847   3.5519 2.237848 4.800537 
1 1 1    5   27   46 o   34.562   2.4839  150.975   20.137  169.400   28.420  132.400   28.536   35.604   3.4225   30.799   4.0195 4.804831 5.279177 
1 1 1    5   27   47 o   33.932   2.5570  149.021   20.338  158.600   28.444  139.000   29.091   33.558   3.6483   30.777   4.1052 2.780537 5.492064 
1 1 1    5   27   48 o   17.568   2.7838   42.000   11.164   42.000   11.164   0.0000   0.0000   17.568   2.7838  ?   ?  0.000000 2.783830 
1 1 1    5   27   49 o   6.4699   2.3680   4.9000   4.7231   4.9000   4.7231   0.0000   0.0000   6.4699   2.3680  ?   ?  0.000000 2.368002 
1 1 1    5   27   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   27   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   28    0 o  152.029   11.995  2826.50  424.443  2826.50  424.443  2826.50  424.443  152.029   11.995  152.029   11.995 0.000000 0.000000 
1 1 1    5   28    1 o  113.504   6.0634  1539.14  161.925  1687.00  229.551  1392.70  228.446  118.264   8.2720  107.150   9.1153 11.11341 12.30914 
1 1 1    5   28    2 o  135.273   7.0794  2193.25  225.351  1873.90  318.052  2515.20  319.341  123.683   11.005  144.075   9.4387 -20.39202 14.49816 
1 1 1    5   28    3 o   74.559   3.8566  660.558   67.667  514.000   95.123  810.700   96.279   65.370   6.2380   82.459   4.9678 -17.08891 7.974456 
1 1 1    5   28    4 o  143.080   7.0457  2448.20  238.049  1879.30  335.426  3025.50  337.893  123.524   11.637  158.149   9.0861 -34.62572 14.76390 
1 1 1    5   28    5 o   71.457   4.0178  607.363   67.519  557.500   95.309  657.600   95.666   68.136   5.9843   74.132   5.5043 -5.995461 8.130759 
1 1 1    5   28    6 o   96.214   5.0112  1103.51  113.459  1275.40  161.550  936.200  159.382  103.091   6.6720   87.993   7.7497 15.09860 10.22612 
1 1 1    5   28    7 o  116.335   6.4564  1622.10  176.666  1391.70  250.005  1851.90  249.681  106.581   10.052  123.633   8.6061 -17.05191 13.23310 
1 1 1    5   28    8 o   66.434   3.7546  525.000   58.660  543.700   83.181  506.500   82.736   67.372   5.2705   64.980   5.4421 2.391716 7.575976 
1 1 1    5   28    9 o  153.115   8.1724  2835.67  294.413  2989.60  417.433  2683.30  415.300  155.473   11.451  146.878   12.081 8.594986 16.64561 
1 1 1    5   28   10 o   69.138   3.9135  569.142   63.629  579.800   90.448  558.700   89.530   69.492   5.5584   68.198   5.6092 1.294441 7.896798 
1 1 1    5   28   11 o   92.540   5.1354  1024.05  111.778  1013.90  158.452  1034.10  157.706   91.462   7.4000   92.410   7.2863 -0.9481125 10.38507 
1 1 1    5   28   12 o   32.017   2.1728  121.813   16.330  131.400   23.459  112.800   22.745   33.162   3.0291   30.683   3.1857 2.479141 4.395941 
1 1 1    5   28   13 o  138.903   7.5304  2340.85  246.076  2472.00  348.198  2210.00  347.809  140.975   10.536  132.826   11.193 8.149567 15.37199 
1 1 1    5   28   14 o   58.646   3.4056  409.698   46.959  402.400   66.400  417.000   66.419   57.845   4.9074   58.912   4.8166 -1.066536 6.876269 
1 1 1    5   28   15 o   82.043   4.5182  805.599   87.196  891.900  123.422  719.600  123.206   85.867   6.1272   76.842   6.8622 9.024590 9.199605 
1 1 1    5   28   16 o   82.811   4.6201  822.089   89.984  785.000  127.238  859.200  127.275   80.218   6.7806   84.069   6.4607 -3.850700 9.365746 
1 1 1    5   28   17 o   64.727   3.6405  500.306   55.417  562.300   78.463  438.600   78.281   68.332   4.8951   60.123   5.5773 8.208843 7.420800 
1 1 1    5   28   18 o   53.549   3.1344  341.987   39.461  375.000   55.861  309.100   55.753   55.852   4.2678   50.571   4.7235 5.281815 6.365980 
1 1 1    5   28   19 o   62.370   3.5919  465.278   52.678  443.000   74.462  487.600   74.534   60.405   5.2732   63.475   5.0135 -3.069786 7.276099 
1 1 1    5   28   20 o   54.416   3.3014  354.030   42.221  387.800   59.551  319.900   59.868   56.672   4.4867   51.294   5.0065 5.377888 6.722794 
1 1 1    5   28   21 o   28.302   2.0815   95.443   13.813   99.400   19.551   91.500   19.518   28.763   2.9191   27.561   3.0502 1.201527 4.221916 
1 1 1    5   28   22 o   85.276   4.7481  879.465   95.233  783.800  134.620  975.300  134.739   79.230   7.2768   88.938   6.4598 -9.708496 9.730350 
1 1 1    5   28   23 o   43.421   2.7083  225.102   27.630  227.800   39.061  222.400   39.088   43.438   3.8479   42.903   3.9009 0.5345955 5.479384 
1 1 1    5   28   24 o   38.854   2.5090  180.198   22.897  181.200   32.417  179.200   32.346   38.747   3.5836   38.527   3.5970 0.2195015 5.077465 
1 1 1    5   28   25 o   35.601   2.3504  151.255   19.648  158.200   27.877  144.400   27.696   36.231   3.2945   34.569   3.4385 1.661892 4.762047 
1 1 1    5   28   26 o   59.432   3.4857  425.011   48.704  410.900   68.905  439.100   68.851   57.820   5.0989   59.867   4.9136 -2.046932 7.081158 
1 1 1    5   28   27 o   53.742   3.1934  347.177   40.344  328.000   57.021  366.400   57.088   51.687   4.7241   54.764   4.4531 -3.076603 6.492084 
1 1 1    5   28   28 o   49.037   3.0009  289.228   34.581  262.700   48.931  315.700   48.879   46.175   4.5465   50.843   4.1063 -4.667530 6.126398 
1 1 1    5   28   29 o   35.984   2.4162  155.283   20.411  134.500   28.889  176.000   28.843   33.105   3.7623   38.094   3.2370 -4.989841 4.963234 
1 1 1    5   28   30 o   32.621   2.2847  127.711   17.488  127.200   25.006  128.200   24.466   32.266   3.3299   32.423   3.2389 -0.1569366 4.645307 
1 1 1    5   28   31 o   33.491   2.3460  134.881   18.436  111.400   26.118  158.200   26.028   29.979   3.7730   36.056   3.0868 -6.076757 4.874782 
1 1 1    5   28   32 o   23.251   1.9103   64.895   10.396   66.700   14.723   63.100   14.680   23.383   2.7172   22.713   2.7961 0.6692047 3.898957 
1 1 1    5   28   33 o   40.754   2.6246  200.959   25.124  189.400   35.544  212.500   35.516   38.990   3.9134   41.447   3.6667 -2.456470 5.362807 
1 1 1    5   28   34 o   32.553   2.2707  127.763   17.345  135.000   24.507  120.500   24.553   33.149   3.1694   31.218   3.3850 1.931971 4.637187 
1 1 1    5   28   35 o   16.995   1.7466   34.806   6.9098   29.800   9.7774   39.800   9.7663   15.467   2.7792   18.050   2.3469 -2.582293 3.637561 
1 1 1    5   28   36 o   38.080   2.5162  175.808   22.498  171.900   31.851  179.700   31.784   37.108   3.6837   38.001   3.5844 -0.8930511 5.139763 
1 1 1    5   28   37 o   19.446   1.8173   45.600   8.2481   57.300   11.665   33.900   11.665   21.690   2.3132   16.388   3.1283 5.301327 3.890663 
1 1 1    5   28   38 o   29.323   2.1164  104.062   14.556  119.800   20.610   88.400   20.560   31.185   2.8296   26.523   3.3580 4.661930 4.391227 
1 1 1    5   28   39 o   15.966   1.7157   30.883   6.3669   28.600   8.8787   33.300   9.1350   15.119   2.5795   16.387   2.4348 -1.267608 3.547098 
1 1 1    5   28   40 o   27.281   2.0288   90.367   12.976   98.100   18.451   82.800   18.253   28.080   2.8207   25.654   3.0743 2.425905 4.172226 
1 1 1    5   28   41 o   18.761   1.7854   42.766   7.8143   45.500   11.121   40.100   10.982   19.098   2.5282   17.849   2.6890 1.248789 3.690882 
1 1 1    5   28   42 o   26.158   2.0153   83.517   12.352   96.100   17.492   71.000   17.446   27.719   2.7069   23.514   3.2270 4.204775 4.211936 
1 1 1    5   28   43 o   6.3980   1.8421   5.0702   2.9339   11.700   4.0182  -2.5000   4.2938   9.6881   1.8233   4.2613   1.9402 5.426796 2.662518 
1 1 1    5   28   44 o   13.178   1.7307   21.337   5.2553   20.100   7.3926   22.600   7.4724   12.505   2.5889   13.323   2.4661 -0.8180428 3.575434 
1 1 1    5   28   45 o   34.996   2.4975  154.125   20.504  157.600   28.694  150.500   29.309   34.295   3.5968   33.290   3.7963 1.005100 5.229597 
1 1 1    5   28   46 f   11.683   1.7370   17.050   4.6461   10.100   6.1925   26.000   7.0276   8.7844   2.7126   14.297   2.1481 -5.512192 3.460131 
1 1 1    5   28   47 o   6.0548   2.3236   3.6000   4.6616   3.6000   4.6616   0.0000   0.0000   6.0548   2.3236  ?   ?  0.000000 2.323641 
1 1 1    5   28   48 o   10.246   2.8349   14.800   7.0910   14.800   7.0910   0.0000   0.0000   10.246   2.8349  ?   ?  0.000000 2.834929 
1 1 1    5   28   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   28   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   29    0 o  163.906   13.017  3311.30  496.491  3311.30  496.491  3311.30  496.491  163.906   13.017  163.906   13.017 0.000000 0.000000 
1 1 1    5   29    1 o   28.422   2.1324   96.043   14.207   91.600   20.191  100.400   19.995   27.634   3.1505   28.972   2.9644 -1.337696 4.325888 
1 1 1    5   29    2 o  133.720   7.2524  2151.57  228.148  2086.10  322.076  2217.50  323.226  130.309   10.558  134.520   10.253 -4.210800 14.71683 
1 1 1    5   29    3 o   91.968   5.0763  1009.73  109.815  1095.30  155.368  924.300  155.235   95.352   6.9481   87.375   7.5995 7.976875 10.29703 
1 1 1    5   29    4 o  122.445   6.6021  1800.00  190.184  2011.10  269.250  1589.80  268.673  128.587   8.9226  113.779   10.105 14.80891 13.48066 
1 1 1    5   29    5 o  183.290   9.3616  4091.28  403.832  4820.30  573.213  3372.90  569.019  196.776   12.400  162.538   14.995 34.23747 19.45733 
1 1 1    5   29    6 o   98.409   5.4322  1158.35  125.744  1156.30  177.897  1160.40  177.762   97.667   7.7781   97.848   7.7570 -0.1814346 10.98503 
1 1 1    5   29    7 o   30.080   2.1918  107.582   15.461  102.200   22.037  112.800   21.698   29.187   3.2528   30.711   3.0316 -1.523726 4.446502 
1 1 1    5   29    8 o  103.000   5.4501  1270.07  132.085  1376.30  187.539  1165.50  186.062  106.592   7.4986   97.828   8.1280 8.764183 11.05863 
1 1 1    5   29    9 o  111.087   6.1425  1483.39  160.501  1269.80  227.058  1696.70  226.908  101.444   9.5925  118.034   8.1918 -16.58984 12.61435 
1 1 1    5   29   10 o  101.686   5.4949  1240.05  131.453  1296.70  186.659  1184.30  185.154  103.226   7.7134   98.504   8.0300 4.722771 11.13452 
1 1 1    5   29   11 o  112.255   5.3612  1507.53  142.111  1817.70  202.495  1206.50  199.490  122.501   7.0297   99.070   8.6131 23.43068 11.11769 
1 1 1    5   29   12 o   81.076   4.6165  786.752   88.016  677.500  124.589  895.600  124.358   74.490   7.1717   86.081   6.1586 -11.59132 9.453132 
1 1 1    5   29   13 o   47.159   2.2954  263.323   25.562  354.100   36.756  178.300   35.572   54.571   2.8624   38.500   3.9698 16.07107 4.894113 
1 1 1    5   29   14 f   16.338   1.8215   31.967   6.9076   29.800   9.9283   34.000   9.6169   15.619   2.7946   16.756   2.5076 -1.137692 3.754665 
1 1 1    5   29   15 o  121.449   6.7084  1795.06  191.640  1831.60  270.973  1758.50  271.066  120.849   9.5739  118.238   9.7969 2.610802 13.69813 
1 1 1    5   29   16 f   16.862   1.7363   33.992   6.8147   34.500   9.7156   33.500   9.5612   16.876   2.5149   16.625   2.5141 0.2510529 3.555984 
1 1 1    5   29   17 o   28.084   2.0861   93.927   13.736  100.900   19.387   86.900   19.463   29.007   2.8680   26.856   3.1277 2.151236 4.243588 
1 1 1    5   29   18 o   29.981   2.1385  107.050   15.040  105.200   21.270  108.900   21.270   29.579   3.0909   30.110   3.0329 -0.5309219 4.330351 
1 1 1    5   29   19 o   36.254   2.4098  156.623   20.513  140.600   29.030  172.600   28.989   34.127   3.6594   37.926   3.2688 -3.799667 4.906787 
1 1 1    5   29   20 o   74.949   4.2889  676.327   75.590  685.000  106.432  667.500  107.376   74.708   6.0861   73.675   6.2304 1.032707 8.709639 
1 1 1    5   29   21 o   33.498   2.2241  133.698   17.493  155.100   24.798  112.500   24.679   35.976   2.9448   30.497   3.4898 5.479130 4.566235 
1 1 1    5   29   22 o   71.032   4.0509  607.692   67.665  623.700   95.718  591.700   95.669   71.271   5.7360   69.331   5.8997 1.940269 8.228512 
1 1 1    5   29   23 o   17.629   1.8101   37.210   7.4283   29.600   10.583   44.600   10.429   15.500   2.9999   19.238   2.3442 -3.737948 3.807192 
1 1 1    5   29   24 o   44.207   2.7515  233.706   28.580  236.800   40.379  230.600   40.459   44.217   3.9075   43.612   3.9722 0.6049309 5.571939 
1 1 1    5   29   25 o   54.365   3.2299  354.944   41.278  346.800   58.356  363.100   58.395   53.242   4.6895   54.531   4.5772 -1.289364 6.553018 
1 1 1    5   29   26 o   88.693   4.9279  964.722  102.801  828.600  145.262  1101.30  145.504   79.986   7.7897   93.393   6.6411 -13.40713 10.23639 
1 1 1    5   29   27 o   44.537   2.7425  238.046   28.702  201.700   40.561  274.500   40.621   40.491   4.3083   47.553   3.6453 -7.061600 5.643531 
1 1 1    5   29   28 o   63.520   3.5447  489.468   52.957  406.600   74.721  573.100   75.064   56.711   5.6551   68.077   4.6982 -11.36593 7.352115 
1 1 1    5   29   29 o   77.241   4.4476  737.899   80.779  771.600  114.326  704.300  114.151   77.246   6.3231   73.445   6.6543 3.800957 9.179379 
1 1 1    5   29   30 o   36.014   2.3151  155.777   19.584  175.800   27.889  136.300   27.506   38.008   3.1354   33.290   3.5541 4.718235 4.739444 
1 1 1    5   29   31 o   3.5937   1.5345  -0.0680   2.3035 -11.9000   4.5132   4.1000   2.6787   3.0745   1.5338   5.8547   1.7798 -2.780225 2.349514 
1 1 1    5   29   32 o   36.725   2.4409  162.750   21.048  161.500   29.769  164.000   29.762   36.165   3.5309   36.460   3.5000 -0.2949600 4.971646 
1 1 1    5   29   33 o   21.515   1.8651   55.652   9.3818   56.200   13.240   55.100   13.296   21.423   2.6755   21.197   2.7191 0.2260704 3.814727 
1 1 1    5   29   34 o   27.635   2.1095   92.013   13.662  100.800   19.252   83.100   19.390   28.693   2.8803   25.900   3.2414 2.792639 4.336251 
1 1 1    5   29   35 o   69.917   4.1436  613.731   68.105  605.400   96.209  622.100   96.423   67.127   6.1374   68.161   6.0538 -1.033600 8.620714 
1 1 1    5   29   36 o   32.900   2.2797  130.898   17.602  136.900   24.896  124.900   24.889   33.272   3.2085   31.690   3.3781 1.581686 4.658945 
1 1 1    5   29   37 o   11.703   1.6915   16.697   4.5390   19.400   6.7779   14.500   6.1118   12.469   2.3890   10.735   2.4632 1.733372 3.431448 
1 1 1    5   29   38 f   27.121   2.0723   89.159   13.171   92.700   18.601   85.600   18.651   27.313   2.9298   26.170   3.0769 1.143768 4.248711 
1 1 1    5   29   39 o   16.318   1.7296   32.292   6.5633   39.000   9.2875   25.600   9.2762   17.798   2.2608   14.181   2.8687 3.617240 3.652520 
1 1 1    5   29   40 o   39.880   2.6467  196.722   24.783  211.400   35.023  182.000   35.074   40.491   3.7040   37.248   4.0532 3.243309 5.490689 
1 1 1    5   29   41 o   17.836   1.7465   38.678   7.2613   43.500   10.292   33.900   10.246   18.704   2.3846   16.339   2.7534 2.364717 3.642405 
1 1 1    5   29   42 o   25.603   2.0967   80.288   12.565   89.800   17.643   70.500   17.897   26.698   2.8423   23.348   3.3414 3.349695 4.386756 
1 1 1    5   29   43 o   16.647   1.8391   33.967   7.1087   35.700   9.7492   32.000   10.388   16.808   2.5352   15.742   2.9014 1.066584 3.852935 
1 1 1    5   29   44 o   19.353   1.9123   46.111   8.6250   50.800   12.000   41.100   12.405   19.991   2.6039   17.705   3.0789 2.285278 4.032361 
1 1 1    5   29   45 o   17.281   1.8975   37.120   7.6158   39.900   10.473   34.000   11.095   17.556   2.6052   15.924   3.0619 1.632610 4.020198 
1 1 1    5   29   46 o   9.3848   2.0804   11.441   4.4893   14.400   6.3057   8.4000   6.3929   10.354   2.5866   8.1245   2.7750 2.228985 3.793567 
1 1 1    5   29   47 o   13.783   2.8221   26.300   8.8756   26.300   8.8756   0.0000   0.0000   13.783   2.8221  ?   ?  0.000000 2.822106 
1 1 1    5   29   48 o   21.175   3.1005   64.000   15.044   64.000   15.044   0.0000   0.0000   21.175   3.1005  ?   ?  0.000000 3.100503 
1 1 1    5   29   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   29   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   30    0 o  166.018   13.277  3421.90  512.842  3421.90  512.842  3421.90  512.842  166.018   13.277  166.018   13.277 -0.000000 0.000000 
1 1 1    5   30    1 o   79.850   4.4799  760.887   84.129  771.900  119.047  749.900  118.907   80.003   6.3539   78.824   6.4447 1.178970 9.050207 
1 1 1    5   30    2 o  160.865   8.5469  3149.30  323.500  3573.50  458.310  2728.10  456.691  169.359   11.529  146.587   13.340 22.77228 17.63110 
1 1 1    5   30    3 o   63.997   3.5215  487.357   53.012  611.000   75.152  364.900   74.791   71.521   4.4723   54.927   5.8567 16.59434 7.368970 
1 1 1    5   30    4 o  101.280   5.5389  1229.55  131.965  1383.60  186.779  1076.00  186.475  106.824   7.4512   93.755   8.5158 13.06920 11.31544 
1 1 1    5   30    5 o   74.051   3.9998  653.568   69.681  540.200   98.123  768.900   98.970   66.815   6.2934   80.075   5.2635 -13.25968 8.204291 
1 1 1    5   30    6 o  157.335   8.7382  3026.59  323.367  2915.90  458.015  3136.60  456.609  151.385   12.937  157.515   12.376 -6.129730 17.90305 
1 1 1    5   30    7 o  175.459   9.1019  3779.21  375.815  4238.30  533.351  3326.50  529.634  182.883   12.424  160.344   14.133 22.53928 18.81726 
1 1 1    5   30    8 o   74.132   4.3072  656.673   75.074  586.000  106.415  726.700  105.928   69.457   6.5661   77.628   5.8211 -8.170311 8.774886 
1 1 1    5   30    9 o   68.928   3.6678  566.260   59.483  646.300   84.598  488.000   83.653   73.390   4.9100   63.554   5.6325 9.835953 7.472123 
1 1 1    5   30   10 o  109.026   5.3039  1424.19  136.548  1720.80  194.141  1133.80  192.092  119.043   6.9364   95.821   8.5805 23.22259 11.03351 
1 1 1    5   30   11 o  146.369   8.0379  2628.06  276.751  2698.10  392.059  2558.50  390.714  145.512   11.504  141.403   11.809 4.109100 16.48649 
1 1 1    5   30   12 o   70.885   4.0655  600.989   67.766  556.900   95.933  644.900   95.739   67.688   6.0663   73.027   5.5945 -5.338661 8.252187 
1 1 1    5   30   13 o   17.414   1.8211   36.268   7.3777   40.100   10.409   32.400   10.458   18.228   2.4830   16.295   2.8200 1.932858 3.757358 
1 1 1    5   30   14 f   59.539   3.4696  423.359   48.569  420.800   68.804  425.900   68.571   59.004   4.9849   59.376   4.9353 -0.3724213 7.014740 
1 1 1    5   30   15 o   69.826   3.8530  583.649   63.285  633.900   89.953  534.400   89.051   72.348   5.3023   66.247   5.7496 6.101257 7.821266 
1 1 1    5   30   16 o   82.556   4.4737  819.716   86.886  888.800  123.356  751.700  122.400   85.286   6.1668   78.160   6.6965 7.126595 9.103460 
1 1 1    5   30   17 o   36.162   2.3952  155.805   20.337  154.900   28.839  156.700   28.685   35.884   3.4457   36.102   3.4050 -0.2175255 4.844273 
1 1 1    5   30   18 o   74.225   4.2426  662.813   74.051  623.900  104.809  701.600  104.640   71.212   6.2977   75.728   5.8981 -4.516113 8.628390 
1 1 1    5   30   19 o   50.181   3.0117  300.882   35.522  261.100   50.224  340.700   50.247   46.340   4.6526   53.169   4.0322 -6.828613 6.156762 
1 1 1    5   30   20 o   29.654   2.0848  104.780   14.506   92.700   20.255  117.500   20.784   27.711   3.1514   31.296   2.8434 -3.584694 4.244548 
1 1 1    5   30   21 o   67.895   3.9037  554.763   62.322  562.400   88.060  547.100   88.214   67.716   5.5560   66.741   5.6505 0.9754868 7.924461 
1 1 1    5   30   22 o   54.231   3.1998  352.419   40.794  318.700   57.665  386.200   57.718   51.075   4.8389   56.432   4.3653 -5.356998 6.517017 
1 1 1    5   30   23 o   70.294   4.0272  596.945   66.570  609.500   94.161  584.400   94.126   70.231   5.7277   68.691   5.8590 1.540436 8.193555 
1 1 1    5   30   24 o   42.844   2.6729  219.620   26.907  232.000   38.098  207.300   38.006   43.775   3.7209   41.298   3.9453 2.477474 5.423120 
1 1 1    5   30   25 o   31.680   2.1038  119.811   15.648   82.500   22.060  157.600   22.201   25.916   3.7107   36.255   2.6107 -10.33902 4.537071 
1 1 1    5   30   26 o   5.8215   1.7918   4.0163   2.7043   4.5000   3.7635   3.5000   3.8885   6.3495   2.1293   5.9554   2.1533 0.3941517 3.028342 
1 1 1    5   30   27 o   47.579   2.9705  272.937   33.207  251.600   47.059  294.100   46.866   45.081   4.4799   48.952   4.0920 -3.870316 6.067445 
1 1 1    5   30   28 o   77.269   4.4813  739.345   81.414  674.400  115.132  804.300  115.142   71.564   6.8984   78.932   6.2282 -7.367844 9.293999 
1 1 1    5   30   29 o   52.492   3.1614  334.524   39.004  302.500   55.138  366.600   55.183   49.022   4.8257   54.316   4.3386 -5.294277 6.489287 
1 1 1    5   30   30 o   11.617   1.9247   16.511   5.0951   14.800   7.6126   17.900   6.8574   10.881   2.9074   11.995   2.5020 -1.113770 3.835712 
1 1 1    5   30   31 o  ?   ?   -5.2895   0.5802   1.9000   3.4403  -5.5000   0.5887   5.0902   1.9844  ?   ?  0.000000 1.984414 
1 1 1    5   30   32 o   8.1789   1.8366   8.2920   3.4603   6.6000   5.1344   9.7000   4.6836   7.5577   2.4855   8.8272   2.2425 -1.269473 3.347631 
1 1 1    5   30   33 o   54.620   3.3033  366.032   42.405  345.400   59.943  386.700   59.995   51.857   4.9554   55.150   4.6503 -3.292885 6.795701 
1 1 1    5   30   34 f   24.575   1.9670   72.699   11.319   72.500   15.976   72.900   16.039   24.293   2.8385   24.360   2.8417 -0.6664658E-01 4.016524 
1 1 1    5   30   35 o   39.448   2.5233  188.788   23.382  170.300   33.012  207.400   33.122   36.808   3.8553   40.883   3.4634 -4.075096 5.182484 
1 1 1    5   30   36 o   39.626   2.5853  191.400   24.058  191.400   33.971  191.400   34.075   38.974   3.7370   38.966   3.7496 0.7968903E-02 5.293887 
1 1 1    5   30   37 o   37.416   2.4631  170.750   21.640  162.300   30.515  179.300   30.694   35.796   3.6616   37.758   3.4818 -1.962124 5.052744 
1 1 1    5   30   38 o   29.359   2.1390  104.742   14.727  102.400   20.791  107.100   20.863   28.574   3.1328   29.265   3.0645 -0.6908588 4.382414 
1 1 1    5   30   39 o   63.860   3.9428  528.332   59.165  597.100   83.683  459.600   83.661   65.305   5.4772   55.573   6.4979 9.731686 8.498397 
1 1 1    5   30   40 o   32.874   2.2996  132.638   17.739  136.200   25.129  129.100   25.045   32.674   3.3022   31.739   3.3943 0.9350986 4.735550 
1 1 1    5   30   41 o   20.909   1.8365   53.197   8.9757   60.800   12.738   45.700   12.650   22.105   2.4833   18.941   2.9222 3.164097 3.834830 
1 1 1    5   30   42 o   16.405   1.7467   32.852   6.6620   33.600   9.4101   32.100   9.4329   16.315   2.5241   15.908   2.6010 0.4063654 3.624391 
1 1 1    5   30   43 o   11.226   1.8287   15.672   4.6808   18.300   6.4250   12.700   6.8331   11.979   2.3554   9.8884   2.7997 2.090367 3.658697 
1 1 1    5   30   44 o   7.7031   1.7735   7.5162   3.1593   7.9000   4.3802   7.1000   4.5610   7.8600   2.2472   7.5153   2.3292 0.3446708 3.236533 
1 1 1    5   30   45 o   5.6986   2.0120   3.6591   3.3743   0.2000   4.4788   8.2000   5.1316   4.9556   2.1285   7.9577   2.4713 -3.002125 3.261575 
1 1 1    5   30   46 o   13.322   1.9201   22.641   5.8658   23.800   8.1563   21.400   8.4421   13.215   2.7049   12.372   2.9341 0.8424311 3.990634 
1 1 1    5   30   47 o   12.323   2.8800   21.500   8.2298   21.500   8.2298   0.0000   0.0000   12.323   2.8800  ?   ?  0.000000 2.879953 
1 1 1    5   30   48 o   15.344   2.8929   33.400   10.097   33.400   10.097   0.0000   0.0000   15.344   2.8929  ?   ?  0.000000 2.892904 
1 1 1    5   30   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   31    0 o   18.521   2.8814   43.400   11.693   43.400   11.693   43.400   11.693   18.521   2.8814   18.521   2.8814 -0.000000 0.000000 
1 1 1    5   31    1 o  212.142   11.989  5690.82  598.114  5595.90  845.081  5786.10  846.643  202.447   17.861  206.360   17.541 -3.913208 25.03370 
1 1 1    5   31    2 o  155.251   8.4946  2952.25  310.235  2774.20  438.128  3131.30  439.353  147.241   12.726  157.210   11.924 -9.968979 17.43947 
1 1 1    5   31    3 o   64.856   3.7297  501.610   56.879  492.500   80.265  510.800   80.615   63.923   5.3672   65.126   5.2876 -1.203907 7.534328 
1 1 1    5   31    4 o   45.823   2.6105  249.548   28.130  186.800   39.443  314.500   40.129   39.366   4.3138   51.364   3.3264 -11.99876 5.447403 
1 1 1    5   31    5 o   99.202   5.4399  1182.85  126.946  1295.20  179.730  1071.00  179.327  103.047   7.4362   93.321   8.2217 9.726463 11.08576 
1 1 1    5   31    6 o   42.270   2.5985  212.504   25.812  229.600   36.829  196.000   36.186   43.805   3.5921   40.409   3.8383 3.395973 5.256989 
1 1 1    5   31    7 o   17.614   1.7986   37.075   7.3758   49.300   10.803   26.400   10.095   20.276   2.2968   14.651   3.0185 5.625476 3.792938 
1 1 1    5   31    8 o  113.707   5.1756  1550.00  138.966  1940.80  198.251  1172.50  194.849  126.447   6.6632   97.295   8.5684 29.15192 10.85428 
1 1 1    5   31    9 o   57.083   2.9736  387.781   39.944  468.300   57.078  310.500   55.919   62.582   3.8816   50.736   4.7217 11.84587 6.112327 
1 1 1    5   31   10 o   80.059   4.2760  767.491   80.546  878.400  114.356  658.300  113.467   85.210   5.7165   73.400   6.6176 11.80926 8.744819 
1 1 1    5   31   11 o   66.929   3.7173  535.315   58.518  419.100   82.673  652.000   82.840   58.581   6.0643   73.606   4.7923 -15.02515 7.729308 
1 1 1    5   31   12 o   37.943   2.3138  171.246   20.632  201.400   29.429  142.100   28.933   41.055   3.0575   34.349   3.6217 6.706299 4.739732 
1 1 1    5   31   13 o   26.203   2.0524   81.817   12.598   78.900   18.028   84.600   17.611   25.585   3.0438   26.536   2.8554 -0.9514790 4.173492 
1 1 1    5   31   14 o   48.797   2.9484  284.086   33.814  290.300   48.072  278.000   47.573   49.075   4.1884   48.004   4.2404 1.070553 5.960185 
1 1 1    5   31   15 o   39.617   2.5665  187.082   23.880  184.200   33.965  189.900   33.581   39.104   3.7233   39.731   3.6190 -0.6273575 5.192266 
1 1 1    5   31   16 o   80.977   4.5826  790.684   87.266  780.600  123.623  800.700  123.204   79.556   6.6413   80.638   6.5262 -1.082069 9.311200 
1 1 1    5   31   17 o   34.545   2.3672  142.274   19.194  129.200   27.222  155.200   27.067   32.699   3.5842   35.944   3.2231 -3.245781 4.820319 
1 1 1    5   31   18 o   13.474   1.7412   21.852   5.4104   21.800   7.8372   21.900   7.4782   13.322   2.5846   13.373   2.4588 -0.5113220E-01 3.567353 
1 1 1    5   31   19 o   80.871   4.6009  791.359   87.498  778.800  124.033  803.800  123.450   79.167   6.6977   80.521   6.5493 -1.354614 9.367623 
1 1 1    5   31   20 o   16.989   1.8198   34.588   7.1869   36.900   9.9817   32.100   10.356   17.447   2.4937   16.192   2.8104 1.254801 3.757283 
1 1 1    5   31   21 o   24.314   1.9521   70.555   11.113   70.200   15.829   70.900   15.606   24.109   2.8346   24.242   2.7763 -0.1323910 3.967663 
1 1 1    5   31   22 o   61.328   3.5205  452.482   50.769  515.900   71.866  389.300   71.732   65.033   4.7117   56.121   5.4828 8.912056 7.229249 
1 1 1    5   31   23 o   45.092   2.7981  243.606   29.647  253.800   41.915  233.400   41.939   45.716   3.9206   43.768   4.1058 1.948063 5.677045 
1 1 1    5   31   24 o   25.234   1.9383   76.067   11.461   87.900   16.266   64.400   16.152   27.023   2.5805   22.993   3.0501 4.029840 3.995265 
1 1 1    5   31   25 o   29.844   2.1860  106.618   15.298   88.100   21.674  125.000   21.595   26.807   3.5081   32.176   2.8724 -5.369070 4.534052 
1 1 1    5   31   26 o   9.3232   1.7240   10.649   3.6556   14.300   5.3715   7.5000   4.9893   10.762   2.1882   7.9207   2.4330 2.841556 3.272279 
1 1 1    5   31   27 o   47.019   2.8929  266.987   31.964  282.000   45.224  252.000   45.184   47.831   4.0419   45.074   4.2972 2.756493 5.899393 
1 1 1    5   31   28 o   27.525   2.0157   90.830   13.010  103.100   18.530   78.900   18.271   29.162   2.7224   25.369   3.1155 3.792799 4.137325 
1 1 1    5   31   29 o   12.207   1.7523   18.096   4.9064   17.300   6.9201   18.900   6.9575   11.778   2.5610   12.337   2.4743 -0.5588818 3.561040 
1 1 1    5   31   30 o   78.350   4.5483  771.232   83.787  803.700  118.803  739.100  118.186   77.556   6.5483   73.971   6.8438 3.585403 9.471919 
1 1 1    5   31   31 o   50.767   3.0813  314.206   36.763  297.600   51.923  330.900   52.060   48.486   4.5896   51.327   4.3360 -2.840279 6.313861 
1 1 1    5   31   32 o   48.446   2.9884  286.099   34.020  280.600   48.106  291.600   48.116   47.150   4.3704   48.135   4.2778 -0.9851341 6.115559 
1 1 1    5   31   33 o   39.806   2.5812  192.087   24.132  179.100   34.111  205.100   34.145   37.823   3.8739   40.654   3.5938 -2.830688 5.284211 
1 1 1    5   31   34 o   55.812   3.3887  384.497   44.448  391.300   62.874  377.700   62.845   55.044   4.8882   53.981   4.9866 1.062992 6.982881 
1 1 1    5   31   35 o   58.608   3.3461  425.750   46.116  373.600   65.002  478.600   65.437   53.096   5.2534   60.916   4.5827 -7.820744 6.971302 
1 1 1    5   31   36 o   12.361   1.7535   18.647   4.9748   21.200   6.9101   15.900   7.1678   13.053   2.3271   11.195   2.7349 1.858684 3.591002 
1 1 1    5   31   37 o   39.073   2.5739  187.147   23.615  192.100   33.406  182.200   33.387   38.858   3.6847   37.754   3.7965 1.103676 5.290584 
1 1 1    5   31   38 o   15.833   1.7681   30.496   6.4974   31.900   9.0467   29.000   9.3378   15.982   2.4773   15.145   2.7106 0.8374767 3.672086 
1 1 1    5   31   39 o   39.082   2.5741  188.768   23.622  183.100   33.312  194.500   33.502   37.515   3.8134   38.772   3.7044 -1.257076 5.316430 
1 1 1    5   31   40 o   8.3892   1.7539   8.7848   3.3626   7.6000   4.8291   9.9000   4.6850   7.8395   2.3911   8.8405   2.2412 -1.001002 3.277243 
1 1 1    5   31   41 o   19.159   1.8083   44.749   8.0842   43.400   11.428   46.100   11.438   18.521   2.6918   19.140   2.5978 -0.6186180 3.740876 
1 1 1    5   31   42 o   24.312   1.8902   72.242   10.766   60.000   14.878   85.700   15.599   21.594   2.9986   26.137   2.5603 -4.542278 3.942927 
1 1 1    5   31   43 o   10.038   2.0650   12.821   4.7317   17.000   6.5298   8.2000   6.8659   11.449   2.4865   8.2670   2.8734 3.182076 3.799868 
1 1 1    5   31   44 o   12.685   1.9243   20.296   5.5831   21.300   7.7282   19.200   8.0745   12.659   2.6693   11.899   2.9001 0.7601223 3.941568 
1 1 1    5   31   45 o   18.225   1.8859   41.850   7.9986   50.300   11.451   33.800   11.177   19.523   2.5445   15.520   3.1574 4.003177 4.055044 
1 1 1    5   31   46 o   4.1009   1.7517   0.2209   3.0033   3.0000   4.2699  -2.5000   4.2250   5.6750   2.2112   4.1284   1.8965 1.546635 2.913120 
1 1 1    5   31   47 f   20.227   3.0807   58.500   14.250   58.500   14.250   0.0000   0.0000   20.227   3.0807  ?   ?  0.000000 3.080673 
1 1 1    5   31   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   32    0 o   2.7538   1.8282  -0.9000   3.1582  -0.9000   3.1582  -0.9000   3.1582   2.7538   1.8282   2.7538   1.8282 -0.000000 0.000000 
1 1 1    5   32    1 o   48.821   2.9694  283.877   34.069  269.600   47.977  298.400   48.388   47.336   4.3405   49.859   4.1476 -2.522522 6.003584 
1 1 1    5   32    2 o   63.070   3.6574  474.854   54.236  490.500   76.690  459.200   76.712   63.770   5.1363   61.641   5.3225 2.129780 7.396669 
1 1 1    5   32    3 o   94.808   5.2638  1081.68  117.381  1030.00  165.881  1133.50  166.123   91.509   7.7494   96.205   7.3686 -4.695816 10.69344 
1 1 1    5   32    4 o   79.117   4.4882  750.234   83.505  796.300  117.987  704.000  118.201   80.974   6.2180   75.953   6.6576 5.021088 9.109735 
1 1 1    5   32    5 o   51.226   3.0954  312.758   37.267  266.000   52.736  359.400   52.671   46.894   4.8316   54.742   4.1045 -7.848061 6.339640 
1 1 1    5   32    6 o  109.870   6.1918  1463.92  159.988  1270.00  226.447  1657.20  226.068  100.419   9.6692  115.713   8.3293 -15.29372 12.76206 
1 1 1    5   32    7 o   77.915   4.3838  727.961   80.327  733.500  114.008  722.500  113.195   77.593   6.2760   77.005   6.2798 0.5888901 8.878292 
1 1 1    5   32    8 o  114.966   6.4181  1608.68  173.540  1557.50  245.737  1659.60  245.111  111.209   9.4471  115.076   9.0943 -3.867058 13.11316 
1 1 1    5   32    9 o   89.171   4.6603  955.804   97.790  1081.70  138.878  832.000  137.720   94.212   6.2786   82.177   7.1689 12.03474 9.529600 
1 1 1    5   32   10 o   54.029   3.2551  348.615   41.335  313.800   58.553  383.200   58.360   50.866   4.9371   56.394   4.4178 -5.528404 6.625054 
1 1 1    5   32   11 f   59.969   2.7267  427.056   38.613  573.400   55.608  290.800   53.657   69.379   3.3943   48.998   4.6950 20.38115 5.793497 
1 1 1    5   32   12 o   15.765   1.8873   29.846   6.8864   24.100   10.120   34.800   9.3973   13.959   3.1457   16.961   2.4145 -3.001985 3.965490 
1 1 1    5   32   13 o  121.444   6.8450  1814.64  195.495  1774.10  277.120  1854.80  275.827  117.350   10.099  120.296   9.7952 -2.946358 14.06890 
1 1 1    5   32   14 o  104.099   5.3490  1314.60  131.043  1508.30  186.101  1124.10  184.553  110.366   7.1799   94.431   8.3630 15.93539 11.02227 
1 1 1    5   32   15 o   66.363   3.8019  528.530   59.330  475.300   83.890  581.800   83.921   62.262   5.7715   69.173   5.1752 -6.911430 7.752011 
1 1 1    5   32   16 o   25.840   2.1412   79.714   12.947   65.300   18.588   93.300   18.045   23.128   3.5140   27.873   2.7787 -4.744459 4.479890 
1 1 1    5   32   17 o   87.677   4.8753  932.118  100.539  962.600  142.973  902.300  141.407   87.939   6.9415   85.020   7.1088 2.919785 9.935758 
1 1 1    5   32   18 o   33.133   2.2414  130.894   17.433  139.300   24.891  122.800   24.424   34.033   3.1325   31.905   3.2891 2.128092 4.542079 
1 1 1    5   32   19 o   64.525   3.7395  500.998   56.733  501.400   80.426  500.600   80.040   63.917   5.3787   63.875   5.3560 0.4116821E-01 7.590564 
1 1 1    5   32   20 o   15.265   1.7973   28.000   6.3547   26.400   8.9869   29.600   8.9869   14.662   2.6949   15.577   2.5300 -0.9150124 3.696405 
1 1 1    5   32   21 o   48.286   2.9272  279.388   33.219  285.900   47.207  273.000   46.753   48.489   4.1633   47.355   4.2254 1.134594 5.931854 
1 1 1    5   32   22 o   38.372   2.4764  176.150   22.319  188.600   31.692  163.900   31.436   39.478   3.4338   36.716   3.6752 2.762192 5.029755 
1 1 1    5   32   23 o   38.282   2.5552  175.676   22.966  166.800   32.715  184.300   32.248   36.961   3.8027   38.950   3.5449 -1.989853 5.198732 
1 1 1    5   32   24 o   46.944   2.8763  265.185   31.731  285.600   44.890  244.800   44.858   48.324   3.9690   44.574   4.3159 3.749775 5.863469 
1 1 1    5   32   25 o   42.042   2.6621  212.645   26.292  210.800   37.132  214.500   37.232   41.448   3.8374   41.823   3.8118 -0.3752289 5.408858 
1 1 1    5   32   26 f   17.346   1.7918   36.162   7.2336   30.500   10.287   41.700   10.174   15.687   2.8833   18.526   2.3807 -2.838347 3.739134 
1 1 1    5   32   27 o   48.216   2.9520  281.521   33.449  260.700   47.271  302.400   47.337   45.681   4.4383   49.422   4.0930 -3.741722 6.037450 
1 1 1    5   32   28 o   12.794   1.7654   19.850   5.1914   12.000   7.3418   27.700   7.3418   9.8883   2.9332   15.082   2.1200 -5.193952 3.619122 
1 1 1    5   32   29 o   12.599   1.7714   19.272   5.1244   19.800   7.4599   18.800   7.0512   12.606   2.5927   12.291   2.5143 0.3148556 3.611563 
1 1 1    5   32   30 o   4.3602   1.7874   0.7643   2.9383 -19.4000   5.7177   8.0000   3.4251   3.1390   1.5869   8.0323   1.8447 -4.893333 2.433354 
1 1 1    5   32   31 o   16.034   1.7856   31.031   6.6461   44.300   9.3706   17.600   9.4276   19.124   2.1102   11.824   3.2677 7.299922 3.889863 
1 1 1    5   32   32 o   15.000   1.7690   27.203   6.1452   27.800   8.6660   26.600   8.7155   14.989   2.5391   14.635   2.6181 0.3539038 3.647116 
1 1 1    5   32   33 o   20.919   1.8699   52.728   9.1396   47.900   12.963   57.500   12.888   19.659   2.8775   21.668   2.5689 -2.009329 3.857384 
1 1 1    5   32   34 o   42.367   2.7240  219.260   27.108  198.600   38.346  239.900   38.327   39.436   4.1815   43.687   3.7517 -4.250641 5.617844 
1 1 1    5   32   35 o   47.270   2.8661  274.729   31.841  237.300   44.928  312.500   45.132   42.682   4.5268   49.625   3.8824 -6.942513 5.963650 
1 1 1    5   32   36 o   78.469   4.8041  814.228   88.588  762.100  125.196  866.500  125.368   70.475   7.6457   76.526   7.0158 -6.051414 10.37682 
1 1 1    5   32   37 o   20.441   1.9193   50.799   9.1554   61.600   12.861   39.700   13.037   22.323   2.4818   17.566   3.2630 4.757198 4.099586 
1 1 1    5   32   38 o   27.134   2.0223   89.631   12.865   78.300   18.099  101.200   18.289   24.818   3.1600   28.487   2.7531 -3.668816 4.191074 
1 1 1    5   32   39 o   11.656   1.7506   16.704   4.6694   13.700   6.6650   19.600   6.5437   10.336   2.7009   12.487   2.3041 -2.151588 3.550179 
1 1 1    5   32   40 o   24.129   1.9829   71.123   11.198   74.400   15.781   67.800   15.893   24.290   2.8027   23.078   2.9865 1.212048 4.095657 
1 1 1    5   32   41 o   16.131   1.7482   31.810   6.5527   31.200   9.3489   32.400   9.1870   15.655   2.6217   16.004   2.5139 -0.3490105 3.632228 
1 1 1    5   32   42 o   9.8193   1.9806   12.199   4.4340   8.9000   6.0981   15.900   6.4588   8.4216   2.7044   11.068   2.5268 -2.646503 3.701156 
1 1 1    5   32   43 f   10.672   2.0994   14.602   5.1020   21.600   6.8357   5.8000   7.6660   12.939   2.3226   7.6485   2.9676 5.290722 3.768472 
1 1 1    5   32   44 o   5.2393   1.9496   2.7883   3.2245   4.0000   4.3431   1.3000   4.8132   6.1124   2.2650   5.3985   2.2571 0.7139568 3.197596 
1 1 1    5   32   45 o   4.2132   1.7609   0.6585   2.9283   1.6000   3.7563  -0.8000   4.6754   4.9838   2.0294   4.7585   2.1059 0.2252259 2.924650 
1 1 1    5   32   46 o   10.074   2.7451   14.300   6.7082   14.300   6.7082   0.0000   0.0000   10.074   2.7451  ?   ?  0.000000 2.745064 
1 1 1    5   32   47 o   6.4109   2.4155   4.6000   4.9798   4.6000   4.9798   0.0000   0.0000   6.4109   2.4155  ?   ?  0.000000 2.415477 
1 1 1    5   33    0 o   25.549   3.0793   80.600   17.862   80.600   17.862   80.600   17.862   25.549   3.0793   25.549   3.0793 -0.000000 0.000000 
1 1 1    5   33    1 o  102.185   5.2590  1259.54  126.469  994.300  178.005  1529.90  179.715   89.191   8.5568  111.850   6.8372 -22.65834 10.95289 
1 1 1    5   33    2 o   68.893   3.9047  568.088   63.261  480.200   89.358  656.400   89.573   62.688   6.1143   73.704   5.1795 -11.01614 8.013231 
1 1 1    5   33    3 o   22.991   1.9172   63.004   10.313   51.100   14.528   75.100   14.644   20.510   3.0961   25.041   2.5103 -4.531349 3.985905 
1 1 1    5   33    4 o   53.155   3.0926  337.016   38.650  369.900   54.943  304.800   54.382   55.461   4.2271   50.217   4.6385 5.244339 6.275645 
1 1 1    5   33    5 o   97.044   5.4430  1139.50  124.227  1049.60  175.783  1229.20  175.585   91.729   8.2019   99.735   7.5107 -8.006065 11.12120 
1 1 1    5   33    6 o   45.534   2.8654  247.266   30.652  215.100   43.428  279.200   43.270   42.151   4.4293   48.216   3.8321 -6.064430 5.856924 
1 1 1    5   33    7 o   53.853   3.2144  346.333   40.690  288.600   57.561  404.000   57.528   48.713   5.0787   57.951   4.2333 -9.237709 6.611687 
1 1 1    5   33    8 o   57.915   3.4123  400.974   46.460  363.700   65.725  438.200   65.683   54.711   5.1479   60.243   4.6533 -5.531891 6.939341 
1 1 1    5   33    9 o  129.452   6.9436  2060.54  211.479  2267.20  299.810  1855.90  298.347  133.461   9.5769  119.661   10.671 13.79984 14.33801 
1 1 1    5   33   10 o   61.432   3.5399  451.664   51.134  461.700   72.630  441.800   72.002   61.697   5.0291   60.321   5.1028 1.376198 7.164509 
1 1 1    5   33   11 o   16.836   1.9429   34.017   7.5821   26.400   11.182   40.500   10.316   14.598   3.3188   18.314   2.4466 -3.715753 4.123144 
1 1 1    5   33   12 o   67.176   3.7184  540.961   58.754  601.900   83.499  481.200   82.688   70.431   5.0543   62.722   5.6433 7.708912 7.575798 
1 1 1    5   33   13 o   87.144   4.9731  919.891  101.911  845.100  144.308  994.300  143.940   82.192   7.5187   89.613   6.8542 -7.421143 10.17398 
1 1 1    5   33   14 o   70.451   4.0885  597.394   67.723  517.900   95.862  676.600   95.688   64.702   6.3564   74.441   5.4822 -9.738380 8.393931 
1 1 1    5   33   15 o   5.9603   2.0065   3.9256   3.3418  -5.1000   6.4061   7.3000   3.9170   5.0289   2.3194   7.7206   2.0951 -2.691670 3.125523 
1 1 1    5   33   16 o   38.773   2.2948  179.100   20.917  217.300   29.903  142.500   29.270   42.599   2.9917   34.312   3.6695 8.286903 4.734516 
1 1 1    5   33   17 o   39.234   2.5433  183.818   23.436  167.200   33.161  200.400   33.125   37.136   3.8369   40.780   3.4730 -3.643784 5.175236 
1 1 1    5   33   18 o   36.201   2.3907  156.462   20.322  161.400   29.003  151.700   28.483   36.569   3.3976   35.432   3.4480 1.137165 4.840655 
1 1 1    5   33   19 f   48.326   2.7854  279.390   31.651  339.900   44.934  219.800   44.592   53.096   3.6052   42.370   4.5269 10.72607 5.787132 
1 1 1    5   33   20 o   9.0656   1.8061   10.092   3.7306   21.800   6.4849   4.3000   4.5609   13.384   2.1228   6.5261   2.3354 6.857516 3.156011 
1 1 1    5   33   21 o   35.669   2.5704  152.558   21.505  128.200   30.775  175.800   30.062   32.274   4.1332   38.101   3.3763 -5.826958 5.336952 
1 1 1    5   33   22 o   9.1119   2.2463   10.281   4.8025  -4.5000   7.5117   20.500   6.2458   5.6633   2.5738   12.962   2.1134 -7.298525 3.330326 
1 1 1    5   33   23 o   55.861   3.3356  377.804   43.798  337.400   61.943  418.200   61.937   51.911   5.1199   58.178   4.5445 -6.267242 6.845853 
1 1 1    5   33   24 o   37.236   2.4772  166.618   21.657  165.000   30.805  168.200   30.453   36.701   3.6008   37.088   3.5194 -0.3865891 5.035083 
1 1 1    5   33   25 o   49.494   3.0519  296.682   35.494  292.500   50.391  300.800   50.005   48.468   4.4526   49.214   4.3476 -0.7460823 6.223160 
1 1 1    5   33   26 o   20.556   1.8704   50.745   8.9799   50.900   12.912   50.600   12.497   20.391   2.7519   20.352   2.6643 0.3881264E-01 3.830321 
1 1 1    5   33   27 o   17.388   1.8368   36.419   7.4276   31.400   10.634   41.200   10.379   15.881   2.9441   18.374   2.4535 -2.492575 3.832383 
1 1 1    5   33   28 o   25.353   2.0714   77.326   12.292   59.800   17.473   94.500   17.297   21.876   3.5006   27.887   2.6588 -6.011621 4.395857 
1 1 1    5   33   29 o   22.387   1.9397   60.281   10.153   55.400   14.482   65.000   14.238   21.190   2.9762   23.074   2.6620 -1.884636 3.993011 
1 1 1    5   33   30 o   40.421   2.6175  197.841   24.849  200.400   35.206  195.300   35.078   40.163   3.7558   39.625   3.7954 0.5387154 5.339564 
1 1 1    5   33   31 o   40.100   2.5879  194.830   24.374  177.500   34.451  212.200   34.490   37.643   3.9338   41.395   3.5631 -3.751488 5.307583 
1 1 1    5   33   32 o   36.332   2.4409  159.913   20.820  171.600   29.427  148.200   29.461   37.218   3.3854   34.420   3.6818 2.797619 5.001650 
1 1 1    5   33   33 o   55.597   3.3866  383.412   44.249  353.400   62.538  413.500   62.616   51.738   5.1887   56.476   4.7391 -4.737823 7.027195 
1 1 1    5   33   34 o   71.788   4.3617  663.588   73.589  688.600  104.094  638.600  104.046   69.969   6.3700   66.850   6.6806 3.119179 9.230842 
1 1 1    5   33   35 o   30.290   2.1969  111.495   15.607  110.700   22.000  112.300   22.143   29.728   3.1834   29.945   3.1802 -0.2175140 4.499756 
1 1 1    5   33   36 o   5.6412   1.7046   3.8506   2.4625   6.3000   3.4158   1.2000   3.5534   7.1167   1.9670   4.8611   1.9760 2.255571 2.788171 
1 1 1    5   33   37 o   27.041   1.9901   88.899   12.618   75.400   17.683  102.900   18.009   24.367   3.1467   28.777   2.6812 -4.409184 4.134080 
1 1 1    5   33   38 o   4.9681   1.7062   2.7237   2.4172  -2.9000   3.3677   8.7000   3.4717   3.5728   1.6596   8.3402   1.8144 -4.767400 2.458930 
1 1 1    5   33   39 o   27.882   2.1234   95.203   13.876   95.600   19.555   94.800   19.692   27.419   3.0730   27.278   3.1129 0.1411114 4.374207 
1 1 1    5   33   40 o   12.103   1.6760   17.982   4.6614   24.900   6.8449   12.000   6.3655   14.140   2.1150   9.6611   2.6906 4.478911 3.422367 
1 1 1    5   33   41 o   9.2639   2.6172   11.100   5.9782   0.0000   0.0000   11.100   5.9782  ?   ?    9.2639   2.6172 0.000000 2.617248 
1 1 1    5   33   42 o   15.717   1.9082   30.806   6.9369   27.800   9.8206   33.800   9.8001   14.394   2.9872   16.090   2.6732 -1.695944 4.008622 
1 1 1    5   33   43 o   10.483   1.9594   14.082   4.6718   7.2000   6.5297   21.300   6.6870   7.7424   2.7918   12.787   2.2992 -5.044380 3.616675 
1 1 1    5   33   44 o   11.086   1.9916   15.886   5.0221   11.900   7.0894   19.900   7.1151   9.2828   2.9084   12.130   2.5642 -2.847445 3.877333 
1 1 1    5   33   45 o   5.0716   1.9178   2.5603   3.1461  -2.4000   4.2459   8.6000   4.6851   4.1549   1.9059   8.0025   2.3348 -3.847602 3.013934 
1 1 1    5   33   46 o   8.4402   2.6470   9.8000   5.8707   9.8000   5.8707   0.0000   0.0000   8.4402   2.6470  ?   ?  0.000000 2.646961 
1 1 1    5   33   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   34    0 o   51.186   4.5413  319.000   53.896  319.000   53.896  319.000   53.896   51.186   4.5413   51.186   4.5413 0.000000 0.000000 
1 1 1    5   34    1 o   86.315   4.7692  897.974   96.829  975.700  137.316  821.100  136.561   89.186   6.5664   81.482   7.1705 7.703606 9.722857 
1 1 1    5   34    2 o   81.564   4.6052  801.075   88.334  750.700  124.893  851.500  124.954   78.036   6.8469   83.361   6.3966 -5.325027 9.369962 
1 1 1    5   34    3 o   77.371   4.3966  719.889   79.995  713.700  113.032  726.100  113.228   76.300   6.3308   76.985   6.2833 -0.6850281 8.919570 
1 1 1    5   34    4 f   36.235   2.4595  156.483   20.920  132.700   29.669  180.000   29.503   33.109   3.8677   38.747   3.2547 -5.637863 5.054924 
1 1 1    5   34    5 f   59.835   3.5019  428.372   49.264  368.600   69.682  488.100   69.657   54.963   5.4404   63.568   4.6732 -8.605015 7.171936 
1 1 1    5   34    6 o   71.943   4.1606  621.865   70.380  560.600   99.667  682.800   99.399   67.526   6.3242   74.857   5.6652 -7.330803 8.490561 
1 1 1    5   34    7 o   48.989   2.9430  286.452   33.887  297.500   48.139  275.600   47.710   49.669   4.1421   47.760   4.2757 1.908863 5.953035 
1 1 1    5   34    8 o   98.884   5.5460  1188.95  128.977  1136.00  182.494  1241.80  182.309   95.031   8.2131   99.672   7.8083 -4.641060 11.33251 
1 1 1    5   34    9 o   19.202   1.8467   44.068   8.2704   42.700   11.777   45.400   11.617   18.761   2.7391   19.380   2.6044 -0.6188145 3.779615 
1 1 1    5   34   10 o   23.150   1.8991   63.910   10.290   69.100   14.838   59.100   14.283   23.969   2.6668   22.122   2.7968 1.846823 3.864456 
1 1 1    5   34   11 o   17.068   1.8334   34.901   7.2735   31.100   10.506   38.400   10.080   15.923   2.9010   17.817   2.4615 -1.893829 3.804574 
1 1 1    5   34   12 o   54.941   3.1893  361.138   41.198  389.300   58.433  333.300   58.094   56.723   4.3968   52.352   4.7512 4.371578 6.473455 
1 1 1    5   34   13 o   79.060   4.4930  755.427   83.532  743.500  118.266  767.300  118.000   77.452   6.5273   78.760   6.4001 -1.308311 9.141454 
1 1 1    5   34   14 o   14.236   1.8007   24.390   5.9179   32.000   8.9172   18.400   7.9111   16.242   2.3971   12.192   2.8061 4.049661 3.690595 
1 1 1    5   34   15 o   47.644   2.8085  271.338   31.457  306.600   44.654  236.600   44.322   50.414   3.7785   44.102   4.3110 6.311989 5.732550 
1 1 1    5   34   16 o   61.551   3.6215  455.871   52.403  391.400   74.150  520.200   74.069   56.249   5.6594   65.297   4.8382 -9.047924 7.445591 
1 1 1    5   34   17 o   27.878   2.0349   92.732   13.303   99.200   19.235   86.800   18.419   28.695   2.8775   26.806   2.9592 1.888500 4.127573 
1 1 1    5   34   18 o   51.704   3.1517  321.234   38.296  307.900   54.332  334.400   53.987   50.108   4.6446   52.329   4.4102 -2.220558 6.404827 
1 1 1    5   34   19 o   38.814   2.6031  180.534   23.720  165.400   33.754  195.300   33.341   36.788   3.9472   40.129   3.5553 -3.340534 5.312300 
1 1 1    5   34   20 o   29.940   2.2056  107.293   15.484   94.600   21.978  119.800   21.817   27.831   3.4159   31.481   2.9699 -3.650169 4.526459 
1 1 1    5   34   21 o   16.491   1.7161   32.633   6.5851   42.000   9.5971   24.300   9.0523   18.645   2.2237   13.996   2.8361 4.649003 3.603930 
1 1 1    5   34   22 o   45.648   2.8420  251.150   30.482  199.600   43.108  302.700   43.108   39.976   4.6537   49.793   3.6926 -9.816975 5.940749 
1 1 1    5   34   23 o   20.749   1.7853   51.565   8.6621   62.500   12.717   42.100   11.831   22.738   2.4049   18.526   2.7911 4.212130 3.684330 
1 1 1    5   34   24 o   25.771   1.9483   79.584   11.769   91.400   17.080   68.900   16.240   27.462   2.6674   23.732   2.9626 3.730799 3.986489 
1 1 1    5   34   25 o   13.163   1.9294   21.081   5.8188   19.100   9.0067   22.500   7.6233   12.328   3.0977   13.492   2.4844 -1.163548 3.970896 
1 1 1    5   34   26 f   43.926   2.8038  233.706   28.930  229.200   41.173  238.100   40.659   42.884   4.1165   43.791   3.9753 -0.9073753 5.722620 
1 1 1    5   34   27 o   47.211   2.9946  270.991   33.212  256.800   47.207  284.900   46.735   45.156   4.4866   47.770   4.1853 -2.614468 6.135686 
1 1 1    5   34   28 o   43.613   2.7588  230.626   28.265  234.500   40.097  226.800   39.849   43.390   3.9570   42.640   4.0047 0.7502289 5.629816 
1 1 1    5   34   29 o   41.253   2.6878  206.317   26.039  184.300   36.881  228.200   36.769   38.298   4.1443   42.927   3.6623 -4.629799 5.530655 
1 1 1    5   34   30 f   27.180   2.0331   88.890   12.954   66.300   18.276  111.700   18.365   23.017   3.4703   30.320   2.5898 -7.302807 4.330189 
1 1 1    5   34   31 o   26.509   2.0267   84.693   12.590   89.100   18.030   80.500   17.588   26.922   2.8809   25.543   2.9714 1.378828 4.138715 
1 1 1    5   34   32 o   45.845   2.9414  257.903   31.675  244.400   44.968  271.200   44.623   43.604   4.4288   46.186   4.1353 -2.581676 6.059299 
1 1 1    5   34   33 o   21.373   1.9901   55.363   9.9285   42.500   14.190   67.700   13.896   18.232   3.4217   23.472   2.5482 -5.240019 4.266311 
1 1 1    5   34   34 o   33.184   2.4385  134.543   18.974  113.300   27.023  155.200   26.648   29.635   3.9606   35.214   3.2410 -5.579391 5.117693 
1 1 1    5   34   35 f   19.458   1.8519   45.954   8.4061   45.600   11.954   46.300   11.823   19.086   2.7303   19.257   2.6720 -0.1708336 3.820244 
1 1 1    5   34   36 o   24.306   2.0232   71.960   11.507   64.400   16.339   79.400   16.208   22.496   3.1631   25.217   2.7675 -2.720821 4.202893 
1 1 1    5   34   37 o   13.259   1.6891   21.455   5.1682   24.200   7.3025   18.700   7.3154   13.917   2.3026   12.104   2.6342 1.812704 3.498723 
1 1 1    5   34   38 o   13.750   1.7803   23.164   5.6444   29.100   7.9405   17.100   8.0251   15.281   2.2696   11.480   2.9458 3.800857 3.718652 
1 1 1    5   34   39 o   6.2769   1.9377   4.7918   3.1601   4.9000   4.6638   4.7000   4.2968   6.6834   2.3648   6.5013   2.2723 0.1821156 3.279592 
1 1 1    5   34   40 o   5.3000   2.0742   2.2000   3.7700   0.0000   0.0000   2.2000   3.7700  ?   ?    5.3000   2.0742 0.000000 2.074231 
1 1 1    5   34   41 o   25.353   2.0905   80.145   12.403   86.600   17.688   73.900   17.398   25.695   2.9699   23.522   3.2166 2.173231 4.377998 
1 1 1    5   34   42 o   5.4986   1.9328   3.4098   3.1109  -2.2000   4.6952   7.8000   4.1535   4.4947   2.0397   7.7505   2.1787 -3.255836 2.984484 
1 1 1    5   34   43 o   13.171   2.9612   24.200   8.9859   0.0000   0.0000   24.200   8.9859  ?   ?    13.171   2.9612 0.000000 2.961244 
1 1 1    5   34   44 o   9.6265   2.0672   12.199   4.5588   12.300   6.4899   12.100   6.4050   9.4005   2.7494   9.3323   2.7320 0.6816959E-01 3.875955 
1 1 1    5   34   45 o   8.1947   2.2004   9.0009   4.3477   10.200   6.2841   7.9000   6.0214   8.5988   2.7436   7.7628   2.6913 0.8359866 3.843240 
1 1 1    5   34   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   35    0 o   69.094   5.8213  583.700   93.426  583.700   93.426  583.700   93.426   69.094   5.8213   69.094   5.8213 0.000000 0.000000 
1 1 1    5   35    1 o   47.554   2.7217  269.600   30.436  323.200   43.566  218.500   42.538   51.909   3.5760   42.467   4.3012 9.441994 5.593562 
1 1 1    5   35    2 o   53.240   3.1696  338.799   39.667  308.900   55.958  369.000   56.239   50.438   4.7544   55.283   4.3430 -4.845409 6.439404 
1 1 1    5   35    3 o   93.725   5.3362  1066.59  117.612  1019.90  166.767  1112.80  165.894   90.177   7.9116   94.497   7.4960 -4.320229 10.89880 
1 1 1    5   35    4 o   63.616   3.6929  485.224   55.236  481.300   78.353  489.100   77.881   62.843   5.3303   63.382   5.2508 -0.5391426 7.482203 
1 1 1    5   35    5 o   50.095   3.0120  299.794   35.464  256.600   50.122  343.100   50.187   45.937   4.6862   53.373   4.0114 -7.435268 6.168641 
1 1 1    5   35    6 o   84.730   4.8596  868.907   96.823  826.400  137.346  910.900  136.513   81.438   7.2169   85.776   6.7954 -4.338814 9.912681 
1 1 1    5   35    7 o  123.351   7.0134  1885.65  203.439  1804.10  288.145  1966.70  287.270  117.273   10.517  123.085   9.9694 -5.811844 14.49128 
1 1 1    5   35    8 o   63.625   3.7446  486.046   56.011  432.900   79.321  538.900   79.102   59.368   5.7293   66.558   5.0712 -7.190216 7.651248 
1 1 1    5   35    9 o   99.246   5.7118  1203.99  133.292  1024.80  188.735  1382.30  188.274   89.250   9.0819  104.979   7.6476 -15.72907 11.87292 
1 1 1    5   35   10 o   35.741   2.4479  152.444   20.535  141.800   29.242  162.800   28.844   34.232   3.6750   36.774   3.3587 -2.542194 4.978634 
1 1 1    5   35   11 o   17.612   1.7912   37.124   7.3458   31.600   10.073   43.400   10.736   16.074   2.7527   18.956   2.4562 -2.882187 3.689193 
1 1 1    5   35   12 o   56.217   3.1918  378.570   42.196  416.400   60.062  341.700   59.295   58.610   4.3712   52.918   4.7973 5.691631 6.490111 
1 1 1    5   35   13 o   71.660   3.9758  619.279   67.013  666.400   95.357  573.300   94.194   73.641   5.5239   68.078   5.9183 5.563393 8.095695 
1 1 1    5   35   14 o   22.982   1.8761   63.039   10.093   70.500   14.539   56.100   14.021   24.203   2.5839   21.514   2.8286 2.689573 3.831079 
1 1 1    5   35   15 o   19.102   1.6781   43.572   7.4929   61.500   10.828   27.100   10.379   22.670   2.0448   14.791   3.0720 7.878261 3.690328 
1 1 1    5   35   16 o   15.237   2.1468   28.128   7.5104   11.500   11.345   41.100   10.020   10.433   3.6887   18.438   2.3554 -8.004221 4.376566 
1 1 1    5   35   17 o   45.768   2.8326  251.345   30.463  252.000   43.240  250.700   42.923   45.445   4.0726   45.334   4.0523 0.1107941 5.745201 
1 1 1    5   35   18 o   27.875   2.0825   92.927   13.609   94.200   19.424   91.700   19.073   27.879   2.9976   27.506   2.9844 0.3735046 4.229894 
1 1 1    5   35   19 o   37.069   2.3463  164.540   20.432  199.100   29.070  130.800   28.723   40.604   3.0543   32.646   3.7969 7.957733 4.872867 
1 1 1    5   35   20 o   16.554   1.8187   32.960   6.9919   31.700   10.144   34.100   9.6504   16.038   2.7792   16.705   2.5253 -0.6663342 3.755144 
1 1 1    5   35   21 o   25.244   2.2393   76.643   13.210   56.800   19.138   94.700   18.256   21.260   3.9577   27.948   2.8041 -6.687767 4.850368 
1 1 1    5   35   22 o   38.960   2.5719  182.759   23.528  177.700   33.472  187.700   33.080   37.992   3.7812   39.121   3.6221 -1.128231 5.236094 
1 1 1    5   35   23 o   13.633   1.7448   22.468   5.4882   24.200   8.1037   21.000   7.4593   13.994   2.5462   13.020   2.5173 0.9742346 3.580520 
1 1 1    5   35   24 o   78.924   4.6806  780.924   86.842  747.900  123.045  813.700  122.582   74.533   7.0760   78.251   6.6986 -3.717339 9.743802 
1 1 1    5   35   25 f   24.449   2.0183   71.848   11.548   67.700   16.532   75.800   16.138   23.460   3.0570   24.923   2.7899 -1.463301 4.138709 
1 1 1    5   35   26 o   21.807   1.9276   57.177   9.8238   53.600   14.048   60.600   13.742   20.860   2.9330   22.279   2.6651 -1.418489 3.962971 
1 1 1    5   35   27 o   28.907   2.1813  100.612   14.780   90.600   21.021  110.400   20.784   27.059   3.3624   30.048   2.9680 -2.989546 4.484939 
1 1 1    5   35   28 o   23.426   1.9953   66.067   10.932   66.600   15.999   65.600   14.973   23.250   2.9828   23.130   2.7983 0.1205578 4.089957 
1 1 1    5   35   29 o   28.311   2.2471   96.816   14.899   73.700   21.266  119.100   20.880   24.130   3.8625   31.212   2.8650 -7.081841 4.809129 
1 1 1    5   35   30 o   29.511   2.2608  105.383   15.635   98.200   22.580  112.000   21.670   28.019   3.4883   30.121   3.0905 -2.102194 4.660375 
1 1 1    5   35   31 o   56.997   3.5813  405.259   47.956  373.700   68.102  436.300   67.541   52.817   5.5431   57.716   5.0053 -4.899006 7.468559 
1 1 1    5   35   32 o   9.4348   1.9593   11.077   4.2223   13.600   6.6825   9.4000   5.4474   10.370   2.7019   8.6965   2.5119 1.672963 3.689164 
1 1 1    5   35   33 o   7.6788   2.0344   7.3593   3.7479   3.2000   6.0862   9.9000   4.7568   6.6456   2.6247   8.8750   2.2629 -2.229419 3.465501 
1 1 1    5   35   34 f   27.105   2.1772   89.581   13.818   82.100   19.860   96.600   19.238   25.378   3.3996   27.784   2.9787 -2.406179 4.519884 
1 1 1    5   35   35 o   16.755   1.8230   34.184   7.0960   27.200   10.134   40.900   9.9389   14.533   3.0503   18.167   2.3735 -3.633883 3.864953 
1 1 1    5   35   36 o   17.948   1.9141   39.315   7.9869   32.000   11.559   46.000   11.049   15.711   3.2236   19.225   2.4925 -3.514338 4.074830 
1 1 1    5   35   37 o   9.0478   2.4630   10.400   5.4035   0.0000   0.0000   10.400   5.4035  ?   ?    9.0478   2.4630 0.000000 2.463014 
1 1 1    5   35   38 o   19.659   1.8881   47.242   8.6570   44.000   12.426   50.300   12.067   18.530   2.9379   19.988   2.6197 -1.458368 3.936242 
1 1 1    5   35   39 o   11.675   1.7543   16.870   4.6866   23.000   7.0844   12.100   6.2496   13.475   2.3096   9.6606   2.6567 3.814039 3.520325 
1 1 1    5   35   40 o   24.506   2.0987   74.875   12.027   78.700   16.848   70.900   17.175   24.504   2.9726   23.031   3.2483 1.472067 4.403129 
1 1 1    5   35   41 o   16.233   1.8855   33.003   7.0928   27.700   9.7745   38.900   10.308   14.256   2.9986   17.215   2.6183 -2.959324 3.980813 
1 1 1    5   35   42 o   5.5784   1.9323   3.6257   3.1037   1.0000   5.0695   5.2000   3.9254   5.4146   2.2930   6.4943   2.1747 -1.079746 3.160202 
1 1 1    5   35   43 o   3.8002   1.5874   0.5012   2.3776 -12.2000   4.4118   5.7000   2.8226   2.9300   1.4698   6.6403   1.7685 -3.710300 2.299509 
1 1 1    5   35   44 o   9.0699   2.8315   11.500   6.7264   0.0000   0.0000   11.500   6.7264  ?   ?    9.0699   2.8315 0.000000 2.831485 
1 1 1    5   35   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   36    0 o   14.444   3.3689   28.400   9.9899   28.400   9.9899   28.400   9.9899   14.444   3.3689   14.444   3.3689 0.000000 0.000000 
1 1 1    5   36    1 o   43.342   2.7749  224.346   28.250  174.200   40.011  274.200   39.894   37.769   4.5799   47.769   3.5623 -10.00066 5.802190 
1 1 1    5   36    2 o   71.090   4.0172  607.943   67.160  629.700   95.551  586.700   94.417   71.699   5.6904   69.128   5.8388 2.571709 8.153036 
1 1 1    5   36    3 o   23.346   1.9300   65.026   10.544   55.300   14.856   74.900   14.969   21.338   3.0338   24.975   2.5750 -3.637363 3.979316 
1 1 1    5   36    4 o   38.956   2.5198  181.052   23.055  187.700   32.852  174.600   32.363   39.468   3.5635   38.036   3.6479 1.431980 5.099572 
1 1 1    5   36    5 o   68.738   3.9837  568.682   64.384  558.000   91.408  579.200   90.702   67.378   5.8018   68.728   5.6385 -1.350288 8.090320 
1 1 1    5   36    6 o   67.588   3.9993  550.154   63.545  493.100   90.108  606.600   89.627   63.143   6.1201   70.413   5.4324 -7.269337 8.183336 
1 1 1    5   36    7 f   88.748   4.7471  954.894   99.122  1051.00  141.003  861.000  139.371   92.069   6.5280   82.868   7.1938 9.201279 9.714143 
1 1 1    5   36    8 o   27.289   2.1605   88.920   13.808   77.800   19.775   99.500   19.289   25.292   3.3971   28.759   2.8791 -3.467020 4.453026 
1 1 1    5   36    9 f   31.433   2.2022  117.859   16.243  132.800   23.002  103.000   22.939   33.245   2.9610   29.157   3.3954 4.088133 4.505159 
1 1 1    5   36   10 o   35.362   2.4379  149.365   20.233  135.700   28.791  162.700   28.440   33.438   3.7088   36.742   3.3137 -3.304115 4.973454 
1 1 1    5   36   11 o   54.830   3.2780  360.838   42.247  341.400   59.804  380.200   59.687   52.817   4.8493   55.868   4.5642 -3.051395 6.659377 
1 1 1    5   36   12 o   36.763   2.4806  161.561   21.408  149.500   30.417  173.400   30.136   35.080   3.7291   37.892   3.4044 -2.811275 5.049319 
1 1 1    5   36   13 o   26.012   1.8708   80.689   11.415  102.000   16.516   61.200   15.794   29.175   2.4192   22.421   3.0633 6.753998 3.903371 
1 1 1    5   36   14 o   68.282   3.9837  565.326   63.954  548.900   90.656  581.600   90.234   66.287   5.8518   68.377   5.6388 -2.089996 8.126503 
1 1 1    5   36   15 o   66.569   3.8497  537.354   60.256  546.600   85.664  528.300   84.774   66.234   5.5277   65.083   5.5697 1.150826 7.847106 
1 1 1    5   36   16 o   29.675   2.4073  105.686   16.724   81.300   24.193  128.000   23.143   25.563   4.1503   32.529   3.0485 -6.965454 5.149557 
1 1 1    5   36   17 o   49.393   3.0279  294.071   35.145  285.400   49.762  302.700   49.644   48.102   4.4309   49.619   4.2788 -1.517376 6.159608 
1 1 1    5   36   18 o   32.146   2.2242  123.812   16.780  134.200   24.013  113.900   23.457   33.254   3.0935   30.553   3.3039 2.700735 4.526098 
1 1 1    5   36   19 o   24.303   1.9434   70.743   11.060   82.400   15.856   59.700   15.434   26.103   2.6074   22.073   3.0419 4.030170 4.006435 
1 1 1    5   36   20 o   30.386   2.1628  110.729   15.417  115.800   22.194  106.000   21.432   30.836   3.0896   29.479   3.1266 1.357489 4.395595 
1 1 1    5   36   21 o   21.022   1.9717   53.128   9.6733   46.500   13.931   59.300   13.443   19.377   3.1529   22.074   2.6307 -2.697302 4.106297 
1 1 1    5   36   22 o   27.448   2.0226   90.373   13.017  102.800   18.466   78.100   18.352   29.109   2.7179   25.215   3.1509 3.894007 4.161180 
1 1 1    5   36   23 o   40.779   2.5177  200.434   24.125  221.400   34.382  180.100   33.860   42.493   3.4565   38.145   3.8101 4.348164 5.144353 
1 1 1    5   36   24 o   46.599   3.0004  263.849   32.840  224.500   46.590  302.700   46.295   42.064   4.7752   49.395   4.0035 -7.331066 6.231409 
1 1 1    5   36   25 o   54.953   2.9298  366.477   37.882  444.000   54.211  292.500   52.956   59.926   3.8514   48.036   4.7300 11.88947 6.099652 
1 1 1    5   36   26 o   50.728   3.1194  313.855   37.186  313.300   52.840  314.400   52.341   49.811   4.5424   49.937   4.4865 -0.1268234 6.384499 
1 1 1    5   36   27 o   19.568   1.9301   46.169   8.8027   35.800   12.585   56.100   12.317   16.865   3.2783   21.457   2.4763 -4.592398 4.108431 
1 1 1    5   36   28 o   49.008   3.0407  293.658   35.015  236.400   49.523  350.900   49.516   42.719   5.0041   52.952   3.9894 -10.23228 6.399713 
1 1 1    5   36   29 o   35.076   2.4351  149.251   20.044  138.100   28.478  160.200   28.218   33.163   3.6996   35.921   3.3659 -2.758190 5.001655 
1 1 1    5   36   30 o   28.760   2.1888  100.176   14.753   86.800   20.964  113.300   20.765   26.263   3.4650   30.302   2.9390 -4.038395 4.543549 
1 1 1    5   36   31 o   44.694   2.9535  246.270   30.995  214.400   44.022  277.600   43.648   40.415   4.7007   46.663   3.9998 -6.248455 6.172125 
1 1 1    5   36   32 o   54.050   3.4325  367.137   43.583  338.200   61.836  395.700   61.436   49.809   5.3408   54.569   4.8172 -4.760475 7.192324 
1 1 1    5   36   33 o   44.600   2.9315  247.104   30.702  235.200   43.706  258.700   43.138   42.184   4.4551   44.567   4.1466 -2.382641 6.086228 
1 1 1    5   36   34 o   15.775   1.7590   30.275   6.4410   35.600   9.5912   25.900   8.6928   16.898   2.4772   14.303   2.6720 2.595170 3.643678 
1 1 1    5   36   35 o   11.456   2.5426   16.700   6.6987   0.0000   0.0000   16.700   6.6987  ?   ?    11.456   2.5426 0.000000 2.542608 
1 1 1    5   36   36 o   35.512   3.6546  163.600   30.209   0.0000   0.0000  163.600   30.209  ?   ?    35.512   3.6546 0.000000 3.654621 
1 1 1    5   36   37 o  ?   ?   -3.6000   0.8184   0.0000   0.0000  -3.6000   0.8184  ?   ?   ?   ?  0.000000      ? 
1 1 1    5   36   38 o   22.913   1.9340   64.462   10.366   71.600   14.978   57.900   14.362   23.729   2.7224   21.181   2.9516 2.547625 4.015391 
1 1 1    5   36   39 o   5.8628   2.0118   3.9526   3.3606   6.7000   4.1612  -1.2000   5.6986   7.2905   2.2187   5.2571   2.3259 2.033396 3.214370 
1 1 1    5   36   40 o   14.264   1.9565   25.662   6.4161   32.700   8.9155   18.100   9.2408   15.860   2.4603   11.382   3.2670 4.477951 4.089826 
1 1 1    5   36   41 o   7.9870   2.0902   8.3531   3.9878   4.2000   5.7507   12.200   5.5346   6.5853   2.5661   9.5373   2.4458 -2.952017 3.544969 
1 1 1    5   36   42 o   5.9192   2.4189   2.5000   5.3604   0.0000   0.0000   2.5000   5.3604  ?   ?    5.9192   2.4189 0.000000 2.418931 
1 1 1    5   36   43 o   3.9909   1.7605  -0.6000   3.2421   0.0000   0.0000  -0.6000   3.2421  ?   ?    3.9909   1.7605 0.000000 1.760543 
1 1 1    5   36   44 o   5.0800   2.0783   1.7000   3.9624   0.0000   0.0000   1.7000   3.9624  ?   ?    5.0800   2.0783 0.000000 2.078285 
1 1 1    5   37    0 o   11.063   3.1442   17.600   7.1162   17.600   7.1162   17.600   7.1162   11.063   3.1442   11.063   3.1442 0.000000 0.000000 
1 1 1    5   37    1 o   23.217   1.8791   64.308   10.214   80.900   14.795   49.200   14.117   25.977   2.4405   20.083   3.0747 5.893890 3.925572 
1 1 1    5   37    2 o   37.220   2.2055  165.029   19.298  205.400   27.940  128.200   26.686   41.419   2.8744   32.540   3.5295 8.879002 4.551916 
1 1 1    5   37    3 o   77.323   4.4976  724.461   81.765  675.000  115.942  773.400  115.328   73.458   6.7599   78.989   6.2337 -5.530960 9.195395 
1 1 1    5   37    4 o   38.734   2.5824  179.271   23.485  162.900   33.389  195.300   33.039   36.624   3.9217   40.239   3.5122 -3.615788 5.264573 
1 1 1    5   37    5 o   55.944   3.3246  375.563   43.722  372.200   61.954  378.900   61.713   55.217   4.7992   55.740   4.7334 -0.5229301 6.740751 
1 1 1    5   37    6 o   25.277   2.0609   76.319   12.194   64.800   17.375   87.500   17.118   23.057   3.2841   26.970   2.7253 -3.912848 4.267635 
1 1 1    5   37    7 o   53.015   3.2027  337.256   39.906  329.000   56.628  345.400   56.244   51.895   4.6712   53.239   4.5165 -1.344196 6.497591 
1 1 1    5   37    8 o   46.347   2.9298  257.427   31.899  232.400   45.273  282.100   44.952   43.596   4.4606   48.231   3.9825 -4.635124 5.979738 
1 1 1    5   37    9 o   21.212   1.9167   53.819   9.4967   48.400   13.584   59.000   13.282   19.915   2.9802   22.106   2.5937 -2.190725 3.950809 
1 1 1    5   37   10 o   19.690   1.7182   46.314   7.9089   65.400   11.942   31.400   10.556   23.355   2.1909   15.972   2.9059 7.382964 3.639268 
1 1 1    5   37   11 o   68.000   3.9949  560.847   63.866  506.800   90.443  614.600   90.197   63.514   6.1056   70.396   5.4689 -6.882107 8.196776 
1 1 1    5   37   12 o   36.889   2.3991  162.810   20.784  173.200   29.747  152.900   29.052   37.818   3.3663   35.474   3.5144 2.343868 4.866475 
1 1 1    5   37   13 o   76.405   4.1173  710.930   74.010  808.600  105.306  615.600  104.037   80.499   5.5742   69.595   6.4025 10.90384 8.489000 
1 1 1    5   37   14 o   38.811   2.5600  180.712   23.330  172.200   33.115  189.100   32.873   37.530   3.7885   39.418   3.5705 -1.887794 5.205928 
1 1 1    5   37   15 o   69.629   4.0594  592.674   66.455  584.600   94.119  600.700   93.845   67.861   5.9331   68.881   5.8243 -1.019821 8.314117 
1 1 1    5   37   16 f   12.705   1.8587   19.591   5.4114   22.600   8.8594   17.800   6.8344   13.473   2.8724   11.985   2.4960 1.488591 3.805332 
1 1 1    5   37   17 f   71.645   3.9574  628.312   66.692  705.900   94.678  551.900   93.958   74.841   5.3935   65.523   6.1444 9.317070 8.175789 
1 1 1    5   37   18 o   38.854   2.5231  181.570   23.024  188.100   32.764  175.200   32.361   39.193   3.5797   37.779   3.6740 1.414482 5.129550 
1 1 1    5   37   19 o   34.061   2.2316  139.219   17.849  161.600   25.555  117.900   24.941   36.483   2.9927   30.971   3.4700 5.512531 4.582314 
1 1 1    5   37   20 f   14.585   1.8096   25.704   6.0984   26.300   9.0063   25.200   8.2874   14.565   2.7187   14.286   2.5502 0.2782183 3.727550 
1 1 1    5   37   21 o   48.595   2.9764  286.358   33.990  295.500   48.181  277.300   47.958   48.728   4.2293   47.119   4.3597 1.609001 6.073981 
1 1 1    5   37   22 o   8.4937   2.2208   8.9481   4.5044  -2.5000   7.4303   15.600   5.6639   5.9556   2.6443   11.230   2.2145 -5.274472 3.449153 
1 1 1    5   37   23 o   5.0575   1.9350   2.0841   3.2267  -8.3000   5.5452   7.4000   3.9676   4.0694   1.9584   7.7432   2.1116 -3.673814 2.879960 
1 1 1    5   37   24 f   11.172   1.7756   15.230   4.5278   25.200   7.5367   9.6000   5.6637   14.327   2.3060   8.8391   2.5637 5.487566 3.448244 
1 1 1    5   37   25 o   7.5304   1.9325   7.0278   3.4535   8.6000   5.3435   5.9000   4.5257   8.3990   2.5049   7.1388   2.3328 1.260215 3.422945 
1 1 1    5   37   26 o   24.480   2.0349   72.185   11.657   56.600   16.558   87.500   16.413   21.259   3.4139   26.804   2.6270 -5.544903 4.307670 
1 1 1    5   37   27 o   17.608   1.8001   37.406   7.3796   38.200   10.756   36.700   10.143   17.578   2.6759   17.252   2.5681 0.3254757 3.708840 
1 1 1    5   37   28 o   17.049   2.0253   35.335   7.9941   29.500   12.220   39.700   10.569   15.169   3.4850   17.940   2.5683 -2.770874 4.329111 
1 1 1    5   37   29 o   31.195   2.4437  118.535   17.857   94.600   25.693  140.900   24.835   27.069   4.1520   33.694   3.1583 -6.625225 5.216710 
1 1 1    5   37   30 o   21.007   2.0531   53.605   10.054   40.200   14.567   65.800   13.894   17.640   3.6185   23.117   2.5898 -5.476542 4.449827 
1 1 1    5   37   31 o   23.912   2.0818   69.527   11.638   54.300   16.642   84.100   16.280   20.534   3.5612   26.080   2.6818 -5.545914 4.458051 
1 1 1    5   37   32 o   26.432   2.0830   84.998   12.896   85.200   18.349   84.800   18.127   26.041   3.0413   25.996   3.0086 0.4560661E-01 4.278003 
1 1 1    5   37   33 o   19.702   2.7654   48.700   12.511   0.0000   0.0000   48.700   12.511  ?   ?    19.702   2.7654 0.000000 2.765365 
1 1 1    5   37   34 o   14.965   2.5707   28.200   8.7572   0.0000   0.0000   28.200   8.7572  ?   ?    14.965   2.5707 0.000000 2.570694 
1 1 1    5   37   35 o   18.284   2.7217   42.200   11.393   0.0000   0.0000   42.200   11.393  ?   ?    18.284   2.7217 0.000000 2.721746 
1 1 1    5   37   36 o   17.252   2.6418   37.700   10.419   0.0000   0.0000   37.700   10.419  ?   ?    17.252   2.6418 0.000000 2.641781 
1 1 1    5   37   37 o   34.759   3.6415  160.800   29.445   0.0000   0.0000  160.800   29.445  ?   ?    34.759   3.6415 0.000000 3.641481 
1 1 1    5   37   38 o   12.470   1.8362   19.411   5.2452   15.600   7.4283   23.200   7.4076   10.810   2.8642   13.411   2.4286 -2.600506 3.755186 
1 1 1    5   37   39 o   2.0936   1.0008  -1.8792   1.3943  -3.2000   1.5789   2.8000   2.9719   1.9833   0.9743   5.1646   1.8802 -3.181328 2.117618 
1 1 1    5   37   40 f   9.5503   2.8610   12.500   6.9593   0.0000   0.0000   12.500   6.9593  ?   ?    9.5503   2.8610 0.000000 2.861005 
1 1 1    5   37   41 o   9.5265   2.5817   12.400   5.9524   0.0000   0.0000   12.400   5.9524  ?   ?    9.5265   2.5817 0.000000 2.581668 
1 1 1    5   37   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   37   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   38    0 o   15.257   2.8955   30.400   9.3381   30.400   9.3381   30.400   9.3381   15.257   2.8955   15.257   2.8955 0.000000 0.000000 
1 1 1    5   38    1 o   15.471   1.6867   28.703   6.0620   35.600   8.8474   22.600   8.3227   17.164   2.2360   13.535   2.6988 3.629661 3.504698 
1 1 1    5   38    2 o   59.811   2.7900  426.896   39.405  580.600   56.648  282.800   54.849   69.558   3.4489   47.925   4.9163 21.63301 6.005362 
1 1 1    5   38    3 o   48.601   2.9346  283.204   33.521  296.100   47.679  270.600   47.137   49.337   4.1306   47.097   4.2853 2.239426 5.951911 
1 1 1    5   38    4 o   78.882   4.5594  758.488   84.565  703.200  119.743  813.500  119.444   74.468   6.8875   80.553   6.3304 -6.085106 9.354763 
1 1 1    5   38    5 o   38.114   2.5288  173.834   22.630  124.200   32.031  223.300   31.976   31.719   4.3946   43.067   3.1665 -11.34777 5.416549 
1 1 1    5   38    6 o   66.155   3.8220  529.581   59.452  540.200   84.556  519.200   83.607   65.990   5.4758   64.656   5.5293 1.333557 7.781870 
1 1 1    5   38    7 o   23.407   1.8758   65.450   10.281   76.400   14.748   55.100   14.339   25.195   2.5125   21.271   2.9328 3.923729 3.861820 
1 1 1    5   38    8 f   33.691   2.3377  135.816   18.482  137.200   26.471  134.500   25.817   33.623   3.3798   33.301   3.3277 0.3220177 4.743106 
1 1 1    5   38    9 o   52.987   2.9374  337.227   36.610  397.200   52.206  279.200   51.352   57.165   3.8907   47.589   4.6283 9.575714 6.046381 
1 1 1    5   38   10 o   77.956   4.5026  744.912   82.531  780.400  116.697  709.400  116.736   78.395   6.3587   74.428   6.7144 3.967285 9.247513 
1 1 1    5   38   11 o   43.651   2.7502  228.957   28.203  221.700   39.903  236.200   39.867   42.534   4.0206   43.967   3.8797 -1.433464 5.587245 
1 1 1    5   38   12 o   19.415   1.6887   45.084   7.6646   63.400   11.426   30.100   10.335   22.976   2.1303   15.597   2.9131 7.378391 3.608945 
1 1 1    5   38   13 o   33.006   1.8946  129.979   14.704  181.000   21.495   85.100   20.160   38.868   2.3531   26.364   3.3114 12.50399 4.062284 
1 1 1    5   38   14 o   8.5573   2.1120   9.0704   4.2416   3.6000   6.1609   14.000   5.8485   6.8598   2.6608   10.620   2.3899 -3.760040 3.576499 
1 1 1    5   38   15 o   71.726   4.3609  634.876   73.510  507.400  104.154  761.400  103.765   61.772   7.2802   77.399   5.7179 -15.62645 9.257200 
1 1 1    5   38   16 o   24.939   2.0234   74.605   11.813   70.700   16.828   78.400   16.588   24.038   3.0320   25.389   2.8142 -1.351551 4.136786 
1 1 1    5   38   17 o   48.211   2.7606  280.362   31.296  319.700   44.841  243.000   43.700   51.050   3.7459   44.237   4.2352 6.812656 5.654106 
1 1 1    5   38   18 o   43.140   2.7480  224.794   27.847  225.200   39.671  224.400   39.099   42.658   3.9845   42.608   3.9304 0.5023575E-01 5.596780 
1 1 1    5   38   19 o   28.839   2.1746   99.952   14.700  100.800   21.443   99.200   20.191   28.667   3.2236   28.492   3.0483 0.1748619 4.436648 
1 1 1    5   38   20 o   25.478   2.0714   78.019   12.354   70.100   17.666   85.600   17.284   23.840   3.2205   26.509   2.8036 -2.669487 4.269870 
1 1 1    5   38   21 o   13.266   1.9492   21.431   5.9238   27.300   9.5026   17.700   7.5761   14.811   2.8201   11.889   2.7529 2.922102 3.941013 
1 1 1    5   38   22 o   44.515   2.9627  240.791   30.965  212.500   44.183  268.100   43.410   40.968   4.6496   46.459   3.9959 -5.490936 6.130712 
1 1 1    5   38   23 o   45.950   2.7685  255.855   29.900  287.100   42.593  225.500   41.983   48.168   3.7749   42.395   4.2509 5.772343 5.685073 
1 1 1    5   38   24 o   43.390   2.7835  228.509   28.369  222.200   40.310  234.700   39.933   42.122   4.1048   43.396   3.9398 -1.273521 5.689583 
1 1 1    5   38   25 o   38.988   2.5742  184.271   23.566  181.100   33.439  187.400   33.216   38.094   3.7667   38.810   3.6680 -0.7154655 5.257595 
1 1 1    5   38   26 o   30.853   2.2161  115.009   16.038  122.300   23.168  108.300   22.224   31.461   3.1613   29.557   3.2371 1.904152 4.524671 
1 1 1    5   38   27 o   56.739   3.5861  401.368   47.800  363.400   67.887  438.700   67.316   52.047   5.6124   57.959   4.9665 -5.911140 7.494398 
1 1 1    5   38   28 o   22.520   2.0548   61.467   10.806   49.200   15.559   72.900   15.021   19.646   3.4812   24.342   2.6563 -4.695482 4.378868 
1 1 1    5   38   29 f   19.090   1.9292   44.228   8.5773   34.900   12.250   53.200   12.014   16.519   3.2560   20.778   2.4987 -4.258883 4.104265 
1 1 1    5   38   30 o   21.209   1.9728   54.636   9.7666   33.700   13.892   75.100   13.734   16.023   3.7397   24.749   2.3794 -8.725990 4.432424 
1 1 1    5   38   31 o   9.4885   2.5081   11.400   5.7048   0.0000   0.0000   11.400   5.7048  ?   ?    9.4885   2.5081 0.000000 2.508112 
1 1 1    5   38   32 o   24.617   2.9190   76.000   16.638   0.0000   0.0000   76.000   16.638  ?   ?    24.617   2.9190 0.000000 2.919014 
1 1 1    5   38   33 o   11.867   2.5411   17.900   6.9059   0.0000   0.0000   17.900   6.9059  ?   ?    11.867   2.5411 0.000000 2.541058 
1 1 1    5   38   34 o   15.836   2.6350   31.700   9.5072   0.0000   0.0000   31.700   9.5072  ?   ?    15.836   2.6350 0.000000 2.634969 
1 1 1    5   38   35 o   27.059   3.0838   93.700   19.352   0.0000   0.0000   93.700   19.352  ?   ?    27.059   3.0838 0.000000 3.083753 
1 1 1    5   38   36 o   7.7760   2.3539   7.6000   4.6928   0.0000   0.0000   7.6000   4.6928  ?   ?    7.7760   2.3539 0.000000 2.353855 
1 1 1    5   38   37 o   7.2754   2.4563   6.4000   5.0082   0.0000   0.0000   6.4000   5.0082  ?   ?    7.2754   2.4563 0.000000 2.456256 
1 1 1    5   38   38 o   7.8156   2.5297   7.8000   5.3276   0.0000   0.0000   7.8000   5.3276  ?   ?    7.8156   2.5297 0.000000 2.529674 
1 1 1    5   38   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   38   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   38   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   39    0 o   7.8991   2.9122   9.9000   5.0297   9.9000   5.0297   9.9000   5.0297   7.8991   2.9122   7.8991   2.9122 0.000000 0.000000 
1 1 1    5   39    1 o   68.180   3.9356  564.648   63.093  599.900   89.292  529.500   89.161   69.380   5.4951   64.913   5.8806 4.467873 8.048512 
1 1 1    5   39    2 o   41.623   2.6032  207.641   25.457  221.200   36.502  194.800   35.521   42.664   3.6587   39.970   3.8097 2.694016 5.282009 
1 1 1    5   39    3 o   19.412   1.7813   45.098   8.0741   59.800   11.648   31.500   11.202   22.301   2.2422   15.946   3.0866 6.355593 3.815098 
1 1 1    5   39    4 o   37.536   2.4328  168.732   21.448  180.700   30.617  157.200   30.054   38.600   3.3935   35.924   3.5909 2.675224 4.940715 
1 1 1    5   39    5 o   26.229   1.8484   82.116   11.375  106.200   16.908   62.200   15.375   29.740   2.4288   22.597   2.9521 7.143993 3.822766 
1 1 1    5   39    6 o   50.038   3.0923  301.847   36.358  292.700   51.695  310.800   51.146   48.694   4.5486   50.279   4.3507 -1.585453 6.294320 
1 1 1    5   39    7 o   29.397   2.2240  103.558   15.324   95.100   21.950  111.600   21.403   27.885   3.4043   30.340   3.0278 -2.455597 4.555984 
1 1 1    5   39    8 o   36.808   2.2662  162.143   19.601  194.400   28.059  131.400   27.393   40.128   2.9825   32.771   3.5992 7.357769 4.674370 
1 1 1    5   39    9 o   14.278   1.8157   24.608   5.9829   30.900   9.0908   19.800   7.9465   15.893   2.5053   12.618   2.7450 3.274639 3.716428 
1 1 1    5   39   10 o   25.380   2.0564   77.197   12.218   76.300   17.775   78.000   16.823   25.006   3.0751   25.340   2.8615 -0.3346882 4.200582 
1 1 1    5   39   11 o   67.318   3.5390  550.580   56.059  664.400   79.822  439.800   78.748   73.243   4.6392   58.797   5.7452 14.44538 7.384419 
1 1 1    5   39   12 o   28.123   1.8943   94.530   12.506  124.700   17.972   66.200   17.415   32.215   2.3793   23.197   3.2699 9.017473 4.043976 
1 1 1    5   39   13 o   1.8076   0.9039  -4.4397   1.6067   12.600   5.7186  -5.9000   1.6741   10.064   2.4331   1.6784   0.8497 8.386052 2.577197 
1 1 1    5   39   14 o   23.046   1.9321   63.693   10.417   84.000   14.886   44.200   14.584   26.385   2.4160   18.823   3.4065 7.562038 4.176245 
1 1 1    5   39   15 f   23.880   1.9641   68.410   10.977   74.500   15.852   62.800   15.215   24.745   2.7599   22.654   2.9116 2.090364 4.011821 
1 1 1    5   39   16 o   20.453   1.8786   50.238   8.9716   53.900   13.097   47.000   12.314   21.010   2.7026   19.589   2.7369 1.421244 3.846429 
1 1 1    5   39   17 o   19.469   1.7579   45.469   7.9947   60.900   11.472   30.900   11.147   22.470   2.1900   15.723   3.1126 6.746786 3.805807 
1 1 1    5   39   18 o   23.518   2.0662   66.529   11.358   57.700   16.383   74.700   15.760   21.565   3.3241   24.766   2.7408 -3.201334 4.308343 
1 1 1    5   39   19 o   13.919   1.8836   23.504   6.0318   22.200   8.9274   24.600   8.1818   13.309   2.9209   14.103   2.5508 -0.7937374 3.877905 
1 1 1    5   39   20 o   29.946   2.1611  107.798   15.179  114.600   21.550  101.100   21.385   30.629   3.0187   28.688   3.2120 1.941820 4.407907 
1 1 1    5   39   21 o   53.352   3.3497  348.320   41.986  320.800   59.730  375.200   59.031   50.036   5.1277   54.530   4.6281 -4.494370 6.907433 
1 1 1    5   39   22 o   51.580   3.1889  324.927   38.650  316.400   54.910  333.300   54.411   49.934   4.7126   51.392   4.5299 -1.458511 6.536751 
1 1 1    5   39   23 f   24.009   2.0194   69.439   11.342   61.800   16.191   76.800   15.894   22.315   3.1611   25.061   2.7299 -2.745861 4.176722 
1 1 1    5   39   24 o   23.499   1.8888   66.448   10.393   81.500   15.251   53.400   14.200   25.861   2.5298   20.744   2.9848 5.116356 3.912643 
1 1 1    5   39   25 o   10.975   1.9886   14.867   4.9638   12.300   7.8181   16.600   6.4250   9.9856   3.0417   11.517   2.4384 -1.531567 3.898393 
1 1 1    5   39   26 o   46.587   3.0498  267.301   33.366  235.800   47.415  298.200   46.960   42.470   4.8129   48.388   4.1501 -5.918144 6.355103 
1 1 1    5   39   27 o   31.875   2.3312  123.517   17.425  101.200   24.736  145.500   24.550   28.158   3.8187   34.263   3.0668 -6.105368 4.897716 
1 1 1    5   39   28 o   31.624   2.3211  121.869   17.211  116.100   24.601  127.400   24.088   30.272   3.5064   31.877   3.2455 -1.604591 4.777879 
1 1 1    5   39   29 o   22.046   2.7888   60.600   14.193   0.0000   0.0000   60.600   14.193  ?   ?    22.046   2.7888 0.000000 2.788839 
1 1 1    5   39   30 o   14.812   2.5273   27.500   8.5221   0.0000   0.0000   27.500   8.5221  ?   ?    14.812   2.5273 0.000000 2.527286 
1 1 1    5   39   31 o   8.3433   2.4024   8.7000   4.9899   0.0000   0.0000   8.7000   4.9899  ?   ?    8.3433   2.4024 0.000000 2.402446 
1 1 1    5   39   32 o   10.528   2.4639   14.100   6.0169   0.0000   0.0000   14.100   6.0169  ?   ?    10.528   2.4639 0.000000 2.463899 
1 1 1    5   39   33 o   13.177   2.6000   22.100   7.8027   0.0000   0.0000   22.100   7.8027  ?   ?    13.177   2.6000 0.000000 2.599977 
1 1 1    5   39   34 o   13.857   2.5677   24.500   8.0924   0.0000   0.0000   24.500   8.0924  ?   ?    13.857   2.5677 0.000000 2.567672 
1 1 1    5   39   35 o   17.190   2.6950   38.000   10.580   0.0000   0.0000   38.000   10.580  ?   ?    17.190   2.6950 0.000000 2.694984 
1 1 1    5   39   36 o   18.682   2.7734   45.600   11.864   0.0000   0.0000   45.600   11.864  ?   ?    18.682   2.7734 0.000000 2.773425 
1 1 1    5   39   37 o   9.5152   2.9367   12.200   7.2589   0.0000   0.0000   12.200   7.2589  ?   ?    9.5152   2.9367 0.000000 2.936690 
1 1 1    5   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   39   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   40    0 o   9.7381   3.3168   14.600   6.8403   14.600   6.8403   14.600   6.8403   9.7381   3.3168   9.7381   3.3168 0.000000 0.000000 
1 1 1    5   40    1 o   28.535   2.1172   97.505   14.164   96.000   20.065   99.000   19.997   28.096   3.0745   28.553   3.0114 -0.4566784 4.303572 
1 1 1    5   40    2 o   33.990   2.3345  138.502   18.624  140.400   26.325  136.600   26.352   33.963   3.3251   33.480   3.3795 0.4833908 4.740976 
1 1 1    5   40    3 o   37.421   2.3736  167.841   20.866  194.000   29.837  142.800   29.192   40.015   3.1840   34.139   3.6793 5.875595 4.865758 
1 1 1    5   40    4 o   29.377   2.2664  103.541   15.600   90.000   22.397  116.300   21.741   27.040   3.5970   30.965   3.0115 -3.924536 4.691202 
1 1 1    5   40    5 o   40.285   2.5896  195.013   24.503  203.500   34.729  186.600   34.577   40.815   3.6416   39.011   3.8018 1.803463 5.264474 
1 1 1    5   40    6 o   72.705   3.8533  645.057   65.918  752.500   94.162  541.800   92.310   77.556   5.1712   65.062   6.0788 12.49404 7.980816 
1 1 1    5   40    7 o   39.298   2.3905  185.210   22.077  231.100   31.499  140.900   30.952   43.703   3.0718   33.780   3.9552 9.923195 5.008008 
1 1 1    5   40    8 f   75.329   4.4644  701.287   79.058  633.400  112.001  768.700  111.609   69.458   6.9208   77.355   6.1612 -7.896622 9.265970 
1 1 1    5   40    9 o   42.434   2.7268  217.010   27.178  221.600   38.393  212.400   38.478   42.451   3.8727   41.510   3.9741 0.9409599 5.548960 
1 1 1    5   40   10 o   11.443   1.8609   15.975   4.8553   17.800   7.1337   14.400   6.6272   11.961   2.6000   10.748   2.6322 1.213048 3.699768 
1 1 1    5   40   11 o   25.621   2.0532   78.767   12.317   80.000   17.664   77.600   17.185   25.601   2.9774   25.220   2.9410 0.3817139 4.185030 
1 1 1    5   40   12 o   37.763   2.2713  171.082   20.159  210.700   28.854  133.300   28.177   41.706   2.9488   32.872   3.6939 8.833858 4.726593 
1 1 1    5   40   13 o   49.462   2.9201  295.926   33.955  322.000   48.422  270.700   47.628   51.054   4.0498   46.611   4.3786 4.442787 5.964303 
1 1 1    5   40   14 o   32.554   2.2260  127.256   17.009  140.900   24.420  114.400   23.705   34.013   3.0736   30.533   3.3423 3.479502 4.540746 
1 1 1    5   40   15 o   54.873   3.1813  365.899   41.045  405.900   58.380  326.800   57.718   57.106   4.3623   50.893   4.8619 6.213177 6.532062 
1 1 1    5   40   16 o   30.143   2.1989  109.212   15.544  108.700   22.248  109.700   21.725   29.777   3.2151   29.948   3.1177 -0.1706352 4.478546 
1 1 1    5   40   17 o   37.059   2.4818  165.551   21.592  165.500   30.724  165.600   30.352   36.647   3.5968   36.678   3.5488 -0.3123474E-01 5.052779 
1 1 1    5   40   18 o   58.090   3.8044  416.069   51.898  328.800   73.788  501.500   73.007   49.703   6.4382   62.894   4.9559 -13.19109 8.124730 
1 1 1    5   40   19 o   36.279   2.4416  158.736   20.795  136.400   29.400  181.100   29.418   33.106   3.8316   38.451   3.2710 -5.345764 5.037961 
1 1 1    5   40   20 o   13.207   1.8780   21.215   5.6918   20.900   8.2622   21.500   7.8523   12.916   2.7904   13.137   2.6231 -0.2210579 3.829756 
1 1 1    5   40   21 o   40.880   2.8396  203.386   27.242  166.500   38.924  238.800   38.139   36.051   4.6828   43.860   3.7175 -7.808338 5.979002 
1 1 1    5   40   22 f   2.6020   1.2299  -2.3227   1.9918   0.7000   3.1674  -4.3000   2.5618   4.4757   1.8476   2.6861   1.3020 1.789581 2.260332 
1 1 1    5   40   23 f   7.6163   2.0252   7.1994   3.7052  -3.7000   5.5093   16.200   5.0065   4.7579   2.1783   11.487   1.9130 -6.728993 2.899078 
1 1 1    5   40   24 o   47.852   3.1478  282.372   35.370  227.100   50.238  336.700   49.807   41.358   5.2634   51.502   4.1302 -10.14469 6.690434 
1 1 1    5   40   25 o   3.7193   1.4758   0.8750   1.9324   3.6000   4.3369   0.2000   2.1585   6.1281   2.2649   3.5802   1.5051 2.547916 2.719336 
1 1 1    5   40   26 o   11.755   2.4978   17.400   6.7196   0.0000   0.0000   17.400   6.7196  ?   ?    11.755   2.4978 0.000000 2.497842 
1 1 1    5   40   27 o   21.587   2.8225   58.100   14.043   0.0000   0.0000   58.100   14.043  ?   ?    21.587   2.8225 0.000000 2.822481 
1 1 1    5   40   28 o   14.914   2.5780   27.900   8.7508   0.0000   0.0000   27.900   8.7508  ?   ?    14.914   2.5780 0.000000 2.578019 
1 1 1    5   40   29 o   10.979   2.5392   15.300   6.4516   0.0000   0.0000   15.300   6.4516  ?   ?    10.979   2.5392 0.000000 2.539186 
1 1 1    5   40   30 o   11.299   2.4981   16.200   6.4883   0.0000   0.0000   16.200   6.4883  ?   ?    11.299   2.4981 0.000000 2.498107 
1 1 1    5   40   31 o   9.1026   2.5024   10.500   5.5457   0.0000   0.0000   10.500   5.5457  ?   ?    9.1026   2.5024 0.000000 2.502404 
1 1 1    5   40   32 o   23.835   2.9284   72.000   16.135   0.0000   0.0000   72.000   16.135  ?   ?    23.835   2.9284 0.000000 2.928358 
1 1 1    5   40   33 o   8.3118   2.5084   8.7000   5.3351   0.0000   0.0000   8.7000   5.3351  ?   ?    8.3118   2.5084 0.000000 2.508374 
1 1 1    5   40   34 o   27.232   3.3506   98.300   21.092   0.0000   0.0000   98.300   21.092  ?   ?    27.232   3.3506 0.000000 3.350604 
1 1 1    5   40   35 o   15.825   3.0840   33.700   11.110   0.0000   0.0000   33.700   11.110  ?   ?    15.825   3.0840 0.000000 3.083956 
1 1 1    5   40   36 o   30.762   3.7100  134.200   26.406   0.0000   0.0000  134.200   26.406  ?   ?    30.762   3.7100 0.000000 3.710028 
1 1 1    5   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   40   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   41    0 o   60.989   5.2602  462.100   74.459  462.100   74.459  462.100   74.459   60.989   5.2602   60.989   5.2602 0.000000 0.000000 
1 1 1    5   41    1 o   29.533   2.1642  104.604   14.988  103.900   21.257  105.300   21.135   29.188   3.1331   29.398   3.0909 -0.2104130 4.401131 
1 1 1    5   41    2 o   23.381   1.9414   65.529   10.622   74.500   15.039   56.600   15.004   24.800   2.6071   21.472   3.0443 3.327589 4.008101 
1 1 1    5   41    3 o   13.073   1.7861   20.692   5.3694   16.300   7.2903   25.900   7.9380   11.429   2.7374   14.533   2.3967 -3.103807 3.638352 
1 1 1    5   41    4 o   12.498   1.9314   19.024   5.5162   20.700   8.1385   17.600   7.5026   12.892   2.7568   11.877   2.7319 1.014745 3.881182 
1 1 1    5   41    5 o   42.456   2.7575  217.426   27.496  205.200   39.089  229.400   38.684   40.713   4.1227   43.199   3.8320 -2.485806 5.628630 
1 1 1    5   41    6 o   18.577   1.9562   41.552   8.4521   31.900   12.258   50.300   11.670   15.944   3.3617   20.351   2.4797 -4.406866 4.177335 
1 1 1    5   41    7 o   77.188   4.6512  741.995   84.381  629.500  119.544  853.700  119.123   68.287   7.5393   81.141   6.2657 -12.85445 9.803102 
1 1 1    5   41    8 o   19.557   2.0682   46.115   9.4061   28.300   13.678   62.100   12.956   14.939   3.8524   22.641   2.4631 -7.702567 4.572517 
1 1 1    5   41    9 o   39.248   2.3171  184.871   21.379  235.900   30.615  136.300   29.868   44.139   2.9544   33.170   3.8870 10.96852 4.882316 
1 1 1    5   41   10 o   44.515   2.7156  239.051   28.409  265.500   40.528  213.500   39.833   46.498   3.7223   41.485   4.1208 5.013252 5.553060 
1 1 1    5   41   11 o   33.592   2.2124  135.428   17.451   95.400   24.537  176.400   24.825   27.678   3.8593   38.192   2.7715 -10.51422 4.751327 
1 1 1    5   41   12 o   14.620   1.8460   25.847   6.2309   25.900   9.0816   25.800   8.5647   14.442   2.7638   14.447   2.6065 -0.5379677E-02 3.798954 
1 1 1    5   41   13 f   68.409   3.9989  577.385   64.316  593.900   91.279  561.100   90.639   67.863   5.7501   65.813   5.8948 2.050079 8.234863 
1 1 1    5   41   14 o   49.930   2.7509  301.080   32.309  370.100   46.179  234.900   45.219   54.961   3.5777   43.271   4.4909 11.69006 5.741809 
1 1 1    5   41   15 o   6.6129   1.9754   5.2768   3.3213   9.3000   5.1437   2.4000   4.3495   8.6800   2.4191   5.7174   2.2306 2.962538 3.290562 
1 1 1    5   41   16 o   37.228   2.6206  167.547   22.891  139.900   32.641  194.300   32.109   33.370   4.2380   39.774   3.4530 -6.404739 5.466614 
1 1 1    5   41   17 o   67.244   3.5504  554.527   56.176  654.300   80.068  457.800   78.836   72.039   4.7332   59.375   5.6927 12.66437 7.403368 
1 1 1    5   41   18 o   27.966   2.2315   94.310   14.613   85.000   21.159  102.800   20.206   26.135   3.5179   28.971   2.9970 -2.835911 4.621464 
1 1 1    5   41   19 o   17.999   1.8855   39.104   7.8949   36.900   11.174   41.300   11.156   17.242   2.8437   18.315   2.6570 -1.073233 3.891833 
1 1 1    5   41   20 o   67.114   3.6737  558.389   58.000  646.900   82.648  472.500   81.415   70.885   4.9690   59.587   5.8620 11.29779 7.684728 
1 1 1    5   41   21 o   11.133   2.0019   15.287   5.0693   11.900   7.9574   17.600   6.5765   9.8736   3.0793   11.873   2.4276 -1.999586 3.921100 
1 1 1    5   41   22 o   12.457   1.8489   18.960   5.2737   23.100   8.1684   16.000   6.9060   13.582   2.6420   11.267   2.6416 2.315138 3.736033 
1 1 1    5   41   23 o   17.775   2.1260   38.524   8.7463   20.200   12.926   54.000   11.879   12.632   3.9221   20.992   2.4420 -8.359805 4.620244 
1 1 1    5   41   24 o   18.010   2.6485   40.300   10.927   0.0000   0.0000   40.300   10.927  ?   ?    18.010   2.6485 0.000000 2.648452 
1 1 1    5   41   25 o   30.776   3.2852  118.900   23.506   0.0000   0.0000  118.900   23.506  ?   ?    30.776   3.2852 0.000000 3.285249 
1 1 1    5   41   26 o   37.060   3.6759  175.000   31.744   0.0000   0.0000  175.000   31.744  ?   ?    37.060   3.6759 0.000000 3.675905 
1 1 1    5   41   27 o   21.165   2.7685   55.900   13.505   0.0000   0.0000   55.900   13.505  ?   ?    21.165   2.7685 0.000000 2.768471 
1 1 1    5   41   28 o   18.900   2.7204   44.700   11.791   0.0000   0.0000   44.700   11.791  ?   ?    18.900   2.7204 0.000000 2.720386 
1 1 1    5   41   29 o   4.8086   1.8989   1.6000   3.1852   0.0000   0.0000   1.6000   3.1852  ?   ?    4.8086   1.8989 0.000000 1.898922 
1 1 1    5   41   30 o   27.917   3.1943   99.100   20.678   0.0000   0.0000   99.100   20.678  ?   ?    27.917   3.1943 0.000000 3.194264 
1 1 1    5   41   31 o   17.165   2.9097   37.800   11.373   0.0000   0.0000   37.800   11.373  ?   ?    17.165   2.9097 0.000000 2.909653 
1 1 1    5   41   32 o   29.052   3.3041  110.100   22.263   0.0000   0.0000  110.100   22.263  ?   ?    29.052   3.3041 0.000000 3.304060 
1 1 1    5   41   33 o   10.906   2.8522   15.800   7.4289   0.0000   0.0000   15.800   7.4289  ?   ?    10.906   2.8522 0.000000 2.852167 
1 1 1    5   41   34 o   13.594   2.9908   25.000   9.3395   0.0000   0.0000   25.000   9.3395  ?   ?    13.594   2.9908 0.000000 2.990766 
1 1 1    5   41   35 o   11.457   3.0572   18.200   8.4245   0.0000   0.0000   18.200   8.4245  ?   ?    11.457   3.0572 0.000000 3.057243 
1 1 1    5   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   42    0 o   1.5531   1.1343  -6.1000   2.5279  -6.1000   2.5279  -6.1000   2.5279   1.5531   1.1343   1.5531   1.1343 0.000000 0.000000 
1 1 1    5   42    1 o   63.540   3.7483  494.342   55.991  515.700   79.198  473.000   79.168   63.786   5.3062   60.863   5.5703 2.922981 7.693102 
1 1 1    5   42    2 o   42.177   2.6488  214.379   26.247  197.500   37.041  231.400   37.196   39.969   3.9774   43.435   3.6607 -3.465584 5.405636 
1 1 1    5   42    3 o   6.3639   1.8597   4.9084   2.9703   6.7000   4.4773   3.5000   3.9697   7.4872   2.3057   5.9777   2.1735 1.509512 3.168617 
1 1 1    5   42    4 o   19.949   1.8553   47.778   8.6394   43.900   12.263   51.600   12.174   18.902   2.8348   20.592   2.5588 -1.689415 3.818808 
1 1 1    5   42    5 o   61.303   3.4416  457.894   49.618  546.300   70.374  370.500   69.969   66.248   4.5257   53.772   5.5923 12.47565 7.194140 
1 1 1    5   42    6 o   48.993   3.0762  291.061   35.408  271.100   50.279  310.700   49.872   46.506   4.6404   50.034   4.2618 -3.527695 6.300474 
1 1 1    5   42    7 o   12.829   2.0329   20.099   5.9531   11.600   9.1237   26.400   7.8558   9.9975   3.3145   14.678   2.3455 -4.680319 4.060433 
1 1 1    5   42    8 o   24.510   1.9046   72.003   10.937   44.700   15.291  100.600   15.650   18.872   3.5620   28.906   2.3121 -10.03370 4.246597 
1 1 1    5   42    9 o   20.082   1.9438   48.512   9.1023   42.600   13.119   54.000   12.639   18.533   3.1078   21.054   2.5974 -2.520327 4.050288 
1 1 1    5   42   10 o   18.831   1.8202   42.611   7.9931   51.000   11.714   35.300   10.935   20.481   2.4719   16.900   2.8409 3.581663 3.765764 
1 1 1    5   42   11 o   33.885   2.3302  138.121   18.532  147.800   26.317  128.600   26.101   34.765   3.2432   32.326   3.4739 2.438980 4.752511 
1 1 1    5   42   12 o   27.029   2.1994   87.942   13.916   78.500   20.182   96.500   19.215   25.158   3.4912   28.120   2.9370 -2.962290 4.562313 
1 1 1    5   42   13 o   29.424   1.9888  103.785   13.737  138.400   19.696   71.000   19.169   33.867   2.4802   23.898   3.5006 9.968935 4.290162 
1 1 1    5   42   14 o   15.422   2.0104   28.862   7.1473   22.900   11.089   33.100   9.3483   13.450   3.4687   16.426   2.4880 -2.975536 4.268772 
1 1 1    5   42   15 o   56.628   3.3330  392.332   44.372  428.500   62.987  356.700   62.519   58.277   4.6149   52.789   5.0780 5.487556 6.861759 
1 1 1    5   42   16 o   40.514   2.8995  199.859   27.555  165.500   39.667  231.900   38.306   35.913   4.7974   43.205   3.7930 -7.292557 6.115749 
1 1 1    5   42   17 o   40.945   2.5391  202.952   24.429  229.000   34.818  177.700   34.283   43.064   3.4530   37.667   3.9113 5.396248 5.217475 
1 1 1    5   42   18 o   42.829   2.7273  223.066   27.439  230.800   39.153  215.600   38.466   42.928   3.9051   41.435   3.9805 1.493431 5.576218 
1 1 1    5   42   19 o   58.493   3.4998  423.953   48.118  438.500   68.400  409.700   67.705   58.063   5.0387   55.967   5.1818 2.095333 7.227731 
1 1 1    5   42   20 o   9.8084   2.1695   12.010   4.8915   6.5000   7.6622   15.800   6.3550   8.1313   3.0094   11.224   2.4652 -3.092481 3.890213 
1 1 1    5   42   21 f   16.597   2.6191   34.200   9.9243   0.0000   0.0000   34.200   9.9243  ?   ?    16.597   2.6191 0.000000 2.619055 
1 1 1    5   42   22 o   34.214   3.4532  147.000   27.517   0.0000   0.0000  147.000   27.517  ?   ?    34.214   3.4532 0.000000 3.453194 
1 1 1    5   42   23 o   44.260   4.2042  252.700   43.412   0.0000   0.0000  252.700   43.412  ?   ?    44.260   4.2042 0.000000 4.204199 
1 1 1    5   42   24 o   27.386   3.0702   93.800   19.512   0.0000   0.0000   93.800   19.512  ?   ?    27.386   3.0702 0.000000 3.070156 
1 1 1    5   42   25 o   29.735   3.2247  111.200   22.280   0.0000   0.0000  111.200   22.280  ?   ?    29.735   3.2247 0.000000 3.224737 
1 1 1    5   42   26 o   29.321   3.1789  108.100   21.657   0.0000   0.0000  108.100   21.657  ?   ?    29.321   3.1789 0.000000 3.178851 
1 1 1    5   42   27 f   12.966   2.7164   21.400   8.0507   0.0000   0.0000   21.400   8.0507  ?   ?    12.966   2.7164 0.000000 2.716351 
1 1 1    5   42   28 o   16.685   2.7023   35.100   10.283   0.0000   0.0000   35.100   10.283  ?   ?    16.685   2.7023 0.000000 2.702283 
1 1 1    5   42   29 o   17.838   3.0094   40.800   12.225   0.0000   0.0000   40.800   12.225  ?   ?    17.838   3.0094 0.000000 3.009360 
1 1 1    5   42   30 o   2.2970   1.1593  -9.7000   2.9757   0.0000   0.0000  -9.7000   2.9757  ?   ?    2.2970   1.1593 0.000000 1.159281 
1 1 1    5   42   31 o   19.676   2.9282   50.200   13.190   0.0000   0.0000   50.200   13.190  ?   ?    19.676   2.9282 0.000000 2.928177 
1 1 1    5   42   32 o   9.0022   2.8243   10.500   6.6831   0.0000   0.0000   10.500   6.6831  ?   ?    9.0022   2.8243 0.000000 2.824325 
1 1 1    5   42   33 o   48.274   5.8204  396.600   65.010   0.0000   0.0000  396.600   65.010  ?   ?    48.274   5.8204 0.000000 5.820361 
1 1 1    5   42   34 o   24.267   3.1449   80.200   17.598   0.0000   0.0000   80.200   17.598  ?   ?    24.267   3.1449 0.000000 3.144937 
1 1 1    5   42   35 o   24.114   3.1803   80.400   17.667   0.0000   0.0000   80.400   17.667  ?   ?    24.114   3.1803 0.000000 3.180262 
1 1 1    5   42   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   42   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   43    0 o   12.438   2.9929   21.300   7.6228   21.300   7.6228   21.300   7.6228   12.438   2.9929   12.438   2.9929 0.000000 0.000000 
1 1 1    5   43    1 o   63.421   3.7369  493.125   55.716  512.200   78.847  474.100   78.742   63.473   5.3093   60.864   5.5394 2.608822 7.672927 
1 1 1    5   43    2 o   18.364   1.8386   40.547   7.8659   39.300   11.109   41.800   11.140   17.888   2.7152   18.481   2.6265 -0.5932102 3.777686 
1 1 1    5   43    3 o   25.506   1.9798   78.029   11.831   95.100   16.767   61.100   16.697   28.037   2.5608   22.229   3.2794 5.808577 4.160736 
1 1 1    5   43    4 o   33.014   2.2831  130.993   17.689  112.000   24.979  150.100   25.054   30.119   3.5824   35.117   3.0517 -4.997879 4.705970 
1 1 1    5   43    5 o   43.991   2.7499  233.799   28.423  246.500   40.358  221.300   40.035   44.693   3.8621   42.233   4.0647 2.459927 5.606921 
1 1 1    5   43    6 o   72.178   4.1994  645.328   71.264  606.400  100.690  684.400  100.876   67.969   6.3470   72.690   5.9286 -4.720886 8.685218 
1 1 1    5   43    7 o   51.857   2.4111  322.409   29.524  453.900   42.612  201.000   40.946   61.301   2.9437   40.038   4.4036 21.26293 5.296921 
1 1 1    5   43    8 o   27.772   2.0356   92.545   13.256  102.300   19.223   83.700   18.304   28.994   2.8444   26.148   3.0201 2.845778 4.148622 
1 1 1    5   43    9 o   15.100   1.8403   27.556   6.4259   38.700   10.109   20.000   8.3241   17.797   2.4722   12.635   2.8570 5.162067 3.778100 
1 1 1    5   43   10 o   38.135   2.5240  175.454   22.600  175.200   32.190  175.700   31.737   37.669   3.6654   37.750   3.6042 -0.8111191E-01 5.140516 
1 1 1    5   43   11 o   33.807   2.4006  137.834   19.039  126.400   27.149  148.900   26.708   31.921   3.6683   34.834   3.2858 -2.912861 4.924716 
1 1 1    5   43   12 f   17.764   1.8704   38.053   7.7281   44.400   11.108   32.100   10.759   19.052   2.5318   16.045   2.9482 3.007032 3.886057 
1 1 1    5   43   13 o   21.226   1.9266   54.245   9.5514   51.400   13.747   56.900   13.280   20.397   2.9391   21.560   2.6653 -1.163149 3.967652 
1 1 1    5   43   14 o   40.179   2.4924  195.226   23.531  219.100   33.620  172.300   32.945   42.153   3.4067   37.152   3.8092 5.000916 5.110316 
1 1 1    5   43   15 o   35.505   2.4279  152.520   20.234  151.000   28.810  154.000   28.424   34.858   3.5496   35.249   3.4595 -0.3910904 4.956583 
1 1 1    5   43   16 o   20.929   1.9565   52.875   9.5570   50.000   13.834   55.500   13.219   20.049   3.0154   21.246   2.6955 -1.196653 4.044551 
1 1 1    5   43   17 o   32.339   3.3056  129.800   24.888   0.0000   0.0000  129.800   24.888  ?   ?    32.339   3.3056 0.000000 3.305615 
1 1 1    5   43   18 o   17.494   2.7244   38.000   10.888   0.0000   0.0000   38.000   10.888  ?   ?    17.494   2.7244 0.000000 2.724446 
1 1 1    5   43   19 o   8.6795   2.3807   9.4000   5.0261   0.0000   0.0000   9.4000   5.0261  ?   ?    8.6795   2.3807 0.000000 2.380713 
1 1 1    5   43   20 o   33.944   3.4360  144.600   27.162   0.0000   0.0000  144.600   27.162  ?   ?    33.944   3.4360 0.000000 3.435998 
1 1 1    5   43   21 o   30.803   3.2514  118.800   23.292   0.0000   0.0000  118.800   23.292  ?   ?    30.803   3.2514 0.000000 3.251366 
1 1 1    5   43   22 o   51.513   4.8261  352.000   58.021   0.0000   0.0000  352.000   58.021  ?   ?    51.513   4.8261 0.000000 4.826130 
1 1 1    5   43   23 o   21.199   2.8765   56.200   14.028   0.0000   0.0000   56.200   14.028  ?   ?    21.199   2.8765 0.000000 2.876488 
1 1 1    5   43   24 o   15.897   2.6671   31.700   9.6572   0.0000   0.0000   31.700   9.6572  ?   ?    15.897   2.6671 0.000000 2.667144 
1 1 1    5   43   25 o   21.543   2.9587   58.400   14.654   0.0000   0.0000   58.400   14.654  ?   ?    21.543   2.9587 0.000000 2.958658 
1 1 1    5   43   26 o   30.804   3.3980  120.900   24.306   0.0000   0.0000  120.900   24.306  ?   ?    30.804   3.3980 0.000000 3.398003 
1 1 1    5   43   27 o   22.031   3.0456   61.700   15.420   0.0000   0.0000   61.700   15.420  ?   ?    22.031   3.0456 0.000000 3.045644 
1 1 1    5   43   28 o   18.456   2.7372   43.200   11.568   0.0000   0.0000   43.200   11.568  ?   ?    18.456   2.7372 0.000000 2.737226 
1 1 1    5   43   29 o   23.252   2.9515   69.500   15.841   0.0000   0.0000   69.500   15.841  ?   ?    23.252   2.9515 0.000000 2.951484 
1 1 1    5   43   30 o   5.5349   2.2295   2.0000   4.4786   0.0000   0.0000   2.0000   4.4786  ?   ?    5.5349   2.2295 0.000000 2.229533 
1 1 1    5   43   31 o   12.979   2.8416   22.500   8.4671   0.0000   0.0000   22.500   8.4671  ?   ?    12.979   2.8416 0.000000 2.841564 
1 1 1    5   43   32 f   5.8721   2.2951   3.0000   4.6110   0.0000   0.0000   3.0000   4.6110  ?   ?    5.8721   2.2951 0.000000 2.295117 
1 1 1    5   43   33 o   24.162   3.1293   79.700   17.435   0.0000   0.0000   79.700   17.435  ?   ?    24.162   3.1293 0.000000 3.129258 
1 1 1    5   43   34 o   4.4961   2.0258  -1.7000   4.5352   0.0000   0.0000  -1.7000   4.5352  ?   ?    4.4961   2.0258 0.000000 2.025762 
1 1 1    5   43   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   43   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   44    0 o   32.156   3.3551  127.800   24.841  127.800   24.841  127.800   24.841   32.156   3.3551   32.156   3.3551 0.000000 0.000000 
1 1 1    5   44    1 o   23.131   1.9660   64.278   10.637   66.600   14.952   61.900   15.134   23.356   2.7647   22.463   2.9225 0.8936768 4.022967 
1 1 1    5   44    2 o   4.2936   1.6985   1.1906   2.5526  -2.0000   3.4021   5.3000   3.8611   3.8278   1.7367   6.7295   2.1510 -2.901726 2.764578 
1 1 1    5   44    3 o   34.193   2.3043  140.666   18.497  113.300   26.071  168.400   26.246   30.199   3.7357   37.189   3.0146 -6.990305 4.800398 
1 1 1    5   44    4 o   21.867   1.9122   57.457   9.7747   58.400   13.773   56.500   13.875   21.855   2.7282   21.471   2.8034 0.3839130 3.911830 
1 1 1    5   44    5 o   33.911   2.3327  138.488   18.565  136.300   26.185  140.700   26.326   33.287   3.3782   33.841   3.3379 -0.5538025 4.749087 
1 1 1    5   44    6 f   12.311   1.7778   18.421   5.0185   22.300   7.0778   14.500   7.1168   13.458   2.3104   10.762   2.7806 2.696261 3.615216 
1 1 1    5   44    7 o   46.354   2.5149  259.173   27.425  188.100   38.051  336.000   39.561   38.704   4.2324   52.460   3.2090 -13.75554 5.311386 
1 1 1    5   44    8 o   46.663   2.8868  264.583   31.653  282.500   44.850  246.800   44.680   47.601   4.0279   44.292   4.3273 3.308849 5.911799 
1 1 1    5   44    9 o   19.930   1.8671   47.815   8.6842   57.100   12.595   39.400   11.990   21.640   2.5114   17.805   2.9554 3.834419 3.878379 
1 1 1    5   44   10 o   8.9321   1.8806   9.8793   3.8411   23.600   6.7821   3.4000   4.6606   13.881   2.1377   6.1951   2.3362 7.685943 3.166641 
1 1 1    5   44   11 o   28.445   2.2191   97.662   14.788   94.200   21.630  100.700   20.263   27.536   3.3986   28.618   3.0453 -1.081570 4.563375 
1 1 1    5   44   12 o   38.891   2.5819  183.480   23.576  127.500   33.350  239.400   33.332   31.446   4.6299   44.131   3.2208 -12.68542 5.640032 
1 1 1    5   44   13 o   44.185   2.7794  237.890   28.852  248.400   41.437  228.000   40.196   44.440   3.9912   42.524   4.0520 1.915863 5.687583 
1 1 1    5   44   14 o   26.618   2.9732   87.400   18.368   0.0000   0.0000   87.400   18.368  ?   ?    26.618   2.9732 0.000000 2.973153 
1 1 1    5   44   15 f   5.2809   2.1448   1.4000   4.1817   0.0000   0.0000   1.4000   4.1817  ?   ?    5.2809   2.1448 0.000000 2.144804 
1 1 1    5   44   16 o   15.457   2.6769   29.800   9.4163   0.0000   0.0000   29.800   9.4163  ?   ?    15.457   2.6769 0.000000 2.676851 
1 1 1    5   44   17 o   12.490   2.5661   19.600   7.3152   0.0000   0.0000   19.600   7.3152  ?   ?    12.490   2.5661 0.000000 2.566144 
1 1 1    5   44   18 o   40.917   3.9567  213.400   37.752   0.0000   0.0000  213.400   37.752  ?   ?    40.917   3.9567 0.000000 3.956706 
1 1 1    5   44   19 o   12.055   2.6755   18.400   7.4171   0.0000   0.0000   18.400   7.4171  ?   ?    12.055   2.6755 0.000000 2.675461 
1 1 1    5   44   20 o   31.860   3.3576  127.700   24.880   0.0000   0.0000  127.700   24.880  ?   ?    31.860   3.3576 0.000000 3.357590 
1 1 1    5   44   21 o   3.4497   1.6680  -6.6000   4.1399   0.0000   0.0000  -6.6000   4.1399  ?   ?    3.4497   1.6680 0.000000 1.668030 
1 1 1    5   44   22 o   58.184   5.6247  467.800   76.315   0.0000   0.0000  467.800   76.315  ?   ?    58.184   5.6247 0.000000 5.624676 
1 1 1    5   44   23 o   27.136   3.1962   92.900   20.088   0.0000   0.0000   92.900   20.088  ?   ?    27.136   3.1962 0.000000 3.196172 
1 1 1    5   44   24 o   1.9522   0.9858  -7.2000   2.1685   0.0000   0.0000  -7.2000   2.1685  ?   ?    1.9522   0.9858 0.000000 0.9857732 
1 1 1    5   44   25 o   11.822   2.7012   17.900   7.3759   0.0000   0.0000   17.900   7.3759  ?   ?    11.822   2.7012 0.000000 2.701168 
1 1 1    5   44   26 o   11.412   3.1442   17.000   8.7437   0.0000   0.0000   17.000   8.7437  ?   ?    11.412   3.1442 0.000000 3.144154 
1 1 1    5   44   27 o   24.634   3.1019   78.200   17.643   0.0000   0.0000   78.200   17.643  ?   ?    24.634   3.1019 0.000000 3.101885 
1 1 1    5   44   28 o   4.1684   1.9443  -4.1000   4.6998   0.0000   0.0000  -4.1000   4.6998  ?   ?    4.1684   1.9443 0.000000 1.944330 
1 1 1    5   44   29 o   21.824   3.0499   62.800   15.288   0.0000   0.0000   62.800   15.288  ?   ?    21.824   3.0499 0.000000 3.049879 
1 1 1    5   44   30 o   12.130   2.7016   19.600   7.5396   0.0000   0.0000   19.600   7.5396  ?   ?    12.130   2.7016 0.000000 2.701587 
1 1 1    5   44   31 o   23.127   3.0241   71.900   16.120   0.0000   0.0000   71.900   16.120  ?   ?    23.127   3.0241 0.000000 3.024142 
1 1 1    5   44   32 o   21.052   3.1289   60.800   15.081   0.0000   0.0000   60.800   15.081  ?   ?    21.052   3.1289 0.000000 3.128932 
1 1 1    5   44   33 o   16.012   3.1389   35.800   11.444   0.0000   0.0000   35.800   11.444  ?   ?    16.012   3.1389 0.000000 3.138858 
1 1 1    5   44   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   45    0 o  ?   ?   -7.4000   1.8184  -7.4000   1.8184  -7.4000   1.8184  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    5   45    1 o   31.057   2.1719  116.132   15.828  139.000   22.493   93.700   22.277   33.767   2.8475   27.437   3.5196 6.329582 4.527202 
1 1 1    5   45    2 o   34.298   2.3585  141.990   18.985  146.200   26.881  137.800   26.817   34.431   3.3486   33.374   3.4527 1.056835 4.809756 
1 1 1    5   45    3 o   6.1199   1.9360   4.4092   3.1342   5.4000   4.2276   3.2000   4.6703   6.8520   2.2554   6.1289   2.3320 0.7230630 3.244288 
1 1 1    5   45    4 o   37.963   2.5311  174.428   22.560  183.800   31.857  165.000   31.952   38.534   3.5406   36.381   3.7743 2.153141 5.175052 
1 1 1    5   45    5 o   23.378   1.9557   65.783   10.697   79.400   15.281   52.700   14.979   25.534   2.5693   20.567   3.1874 4.967592 4.093987 
1 1 1    5   45    6 o   16.990   1.8492   34.867   7.2989   31.700   10.527   37.800   10.129   15.930   2.9055   17.539   2.5180 -1.608327 3.844749 
1 1 1    5   45    7 o   13.743   1.8241   22.936   5.7733   20.500   8.0619   25.500   8.2715   12.777   2.7533   14.338   2.5358 -1.560733 3.743117 
1 1 1    5   45    8 o   18.565   1.8562   41.589   8.0285   34.000   11.346   49.200   11.362   16.465   3.0299   20.061   2.4494 -3.595860 3.896143 
1 1 1    5   45    9 o   61.217   3.8828  468.262   55.837  417.000   79.488  518.200   78.454   55.511   6.1683   62.920   5.3304 -7.409245 8.152391 
1 1 1    5   45   10 o   12.389   2.5412   19.200   7.1852   0.0000   0.0000   19.200   7.1852  ?   ?    12.389   2.5412 0.000000 2.541220 
1 1 1    5   45   11 o   33.081   3.4213  136.200   26.339   0.0000   0.0000  136.200   26.339  ?   ?    33.081   3.4213 0.000000 3.421293 
1 1 1    5   45   12 o   34.750   3.5543  151.000   28.755   0.0000   0.0000  151.000   28.755  ?   ?    34.750   3.5543 0.000000 3.554291 
1 1 1    5   45   13 o   32.953   3.3913  135.600   26.012   0.0000   0.0000  135.600   26.012  ?   ?    32.953   3.3913 0.000000 3.391280 
1 1 1    5   45   14 o   54.502   5.1012  392.800   64.888   0.0000   0.0000  392.800   64.888  ?   ?    54.502   5.1012 0.000000 5.101225 
1 1 1    5   45   15 o   11.086   3.0525   15.600   8.2441   0.0000   0.0000   15.600   8.2441  ?   ?    11.086   3.0525 0.000000 3.052485 
1 1 1    5   45   16 o   35.875   3.6165  162.600   30.218   0.0000   0.0000  162.600   30.218  ?   ?    35.875   3.6165 0.000000 3.616481 
1 1 1    5   45   17 o   30.608   3.3643  117.800   23.915   0.0000   0.0000  117.800   23.915  ?   ?    30.608   3.3643 0.000000 3.364257 
1 1 1    5   45   18 o   37.510   3.7776  179.200   33.004   0.0000   0.0000  179.200   33.004  ?   ?    37.510   3.7776 0.000000 3.777562 
1 1 1    5   45   19 o   31.591   3.3743  125.700   24.782   0.0000   0.0000  125.700   24.782  ?   ?    31.591   3.3743 0.000000 3.374293 
1 1 1    5   45   20 o   28.345   3.1740  100.900   20.880   0.0000   0.0000  100.900   20.880  ?   ?    28.345   3.1740 0.000000 3.174034 
1 1 1    5   45   21 o   46.498   4.4943  285.400   48.731   0.0000   0.0000  285.400   48.731  ?   ?    46.498   4.4943 0.000000 4.494308 
1 1 1    5   45   22 o   15.742   2.6711   31.200   9.5746   0.0000   0.0000   31.200   9.5746  ?   ?    15.742   2.6711 0.000000 2.671142 
1 1 1    5   45   23 o   30.307   3.3412  117.200   23.515   0.0000   0.0000  117.200   23.515  ?   ?    30.307   3.3412 0.000000 3.341209 
1 1 1    5   45   24 o   8.2902   2.8592   8.0000   6.7921   0.0000   0.0000   8.0000   6.7921  ?   ?    8.2902   2.8592 0.000000 2.859222 
1 1 1    5   45   25 o   31.821   3.4330  131.900   25.387   0.0000   0.0000  131.900   25.387  ?   ?    31.821   3.4330 0.000000 3.433013 
1 1 1    5   45   26 f   22.174   2.9575   63.600   15.099   0.0000   0.0000   63.600   15.099  ?   ?    22.174   2.9575 0.000000 2.957455 
1 1 1    5   45   27 o   17.494   2.9773   40.300   11.858   0.0000   0.0000   40.300   11.858  ?   ?    17.494   2.9773 0.000000 2.977298 
1 1 1    5   45   28 o   7.6692   2.8922   6.3000   7.1430   0.0000   0.0000   6.3000   7.1430  ?   ?    7.6692   2.8922 0.000000 2.892167 
1 1 1    5   45   29 o   8.0259   2.8143   7.9000   6.5934   0.0000   0.0000   7.9000   6.5934  ?   ?    8.0259   2.8143 0.000000 2.814300 
1 1 1    5   45   30 o   13.612   3.1065   25.700   9.7649   0.0000   0.0000   25.700   9.7649  ?   ?    13.612   3.1065 0.000000 3.106530 
1 1 1    5   45   31 o   18.344   3.1076   46.400   12.981   0.0000   0.0000   46.400   12.981  ?   ?    18.344   3.1076 0.000000 3.107575 
1 1 1    5   45   32 o   15.766   3.1303   34.600   11.243   0.0000   0.0000   34.600   11.243  ?   ?    15.766   3.1303 0.000000 3.130270 
1 1 1    5   45   33 o   7.5680   2.8973   6.4000   7.2367   0.0000   0.0000   6.4000   7.2367  ?   ?    7.5680   2.8973 0.000000 2.897333 
1 1 1    5   46    0 o   12.570   3.2604   22.300   8.3631   22.300   8.3631   22.300   8.3631   12.570   3.2604   12.570   3.2604 0.000000 0.000000 
1 1 1    5   46    1 o   6.0701   2.1605   3.8257   3.8981   8.7000   7.3251   1.9000   4.6042   8.7373   2.9705   5.6540   2.2665 3.083266 3.736427 
1 1 1    5   46    2 o   3.0523   1.4701  -4.7838   3.1395 -10.9000   4.6115   0.5000   4.2862   3.2258   1.5995   5.0584   2.1234 -1.832656 2.658390 
1 1 1    5   46    3 o   14.998   2.7628   28.100   9.4243   0.0000   0.0000   28.100   9.4243  ?   ?    14.998   2.7628 0.000000 2.762800 
1 1 1    5   46    4 o   3.5220   1.6129  -2.1000   3.0226   0.0000   0.0000  -2.1000   3.0226  ?   ?    3.5220   1.6129 0.000000 1.612851 
1 1 1    5   46    5 o   7.7781   2.7726   6.4000   6.4221   0.0000   0.0000   6.4000   6.4221  ?   ?    7.7781   2.7726 0.000000 2.772562 
1 1 1    5   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   46    7 o   14.788   3.1811   27.800   10.779   0.0000   0.0000   27.800   10.779  ?   ?    14.788   3.1811 0.000000 3.181132 
1 1 1    5   46    8 o   5.8656   2.4313   1.2000   5.5169   0.0000   0.0000   1.2000   5.5169  ?   ?    5.8656   2.4313 0.000000 2.431330 
1 1 1    5   46    9 o   37.930   3.7277  181.200   32.957   0.0000   0.0000  181.200   32.957  ?   ?    37.930   3.7277 0.000000 3.727731 
1 1 1    5   46   10 o   40.691   3.9686  210.300   37.647   0.0000   0.0000  210.300   37.647  ?   ?    40.691   3.9686 0.000000 3.968642 
1 1 1    5   46   11 o   42.702   4.1300  233.100   41.125   0.0000   0.0000  233.100   41.125  ?   ?    42.702   4.1300 0.000000 4.130017 
1 1 1    5   46   12 o   10.845   3.0254   14.900   8.0407   0.0000   0.0000   14.900   8.0407  ?   ?    10.845   3.0254 0.000000 3.025372 
1 1 1    5   46   13 o   34.846   3.5784  153.200   29.026   0.0000   0.0000  153.200   29.026  ?   ?    34.846   3.5784 0.000000 3.578350 
1 1 1    5   46   14 o   19.721   2.8270   48.500   12.788   0.0000   0.0000   48.500   12.788  ?   ?    19.721   2.8270 0.000000 2.827006 
1 1 1    5   46   15 o   58.054   5.5254  458.800   74.831   0.0000   0.0000  458.800   74.831  ?   ?    58.054   5.5254 0.000000 5.525355 
1 1 1    5   46   16 o   22.015   2.8741   60.400   14.584   0.0000   0.0000   60.400   14.584  ?   ?    22.015   2.8741 0.000000 2.874106 
1 1 1    5   46   17 o   37.595   3.7726  180.300   33.040   0.0000   0.0000  180.300   33.040  ?   ?    37.595   3.7726 0.000000 3.772619 
1 1 1    5   46   18 o   17.855   2.7240   39.900   11.122   0.0000   0.0000   39.900   11.122  ?   ?    17.855   2.7240 0.000000 2.724049 
1 1 1    5   46   19 o   38.207   3.9508  188.700   35.130   0.0000   0.0000  188.700   35.130  ?   ?    38.207   3.9508 0.000000 3.950795 
1 1 1    5   46   20 o   17.583   2.7560   38.900   11.067   0.0000   0.0000   38.900   11.067  ?   ?    17.583   2.7560 0.000000 2.756004 
1 1 1    5   46   21 o   12.633   2.9220   20.600   8.5435   0.0000   0.0000   20.600   8.5435  ?   ?    12.633   2.9220 0.000000 2.922047 
1 1 1    5   46   22 f   13.564   2.7445   23.600   8.4889   0.0000   0.0000   23.600   8.4889  ?   ?    13.564   2.7445 0.000000 2.744502 
1 1 1    5   46   23 o   24.193   3.1019   75.400   17.313   0.0000   0.0000   75.400   17.313  ?   ?    24.193   3.1019 0.000000 3.101856 
1 1 1    5   46   24 o   16.450   2.9378   35.300   10.993   0.0000   0.0000   35.300   10.993  ?   ?    16.450   2.9378 0.000000 2.937773 
1 1 1    5   46   25 o   21.908   3.0152   62.800   15.185   0.0000   0.0000   62.800   15.185  ?   ?    21.908   3.0152 0.000000 3.015236 
1 1 1    5   46   26 o   21.668   2.9765   62.000   14.827   0.0000   0.0000   62.000   14.827  ?   ?    21.668   2.9765 0.000000 2.976498 
1 1 1    5   46   27 o   19.221   2.8253   48.800   12.441   0.0000   0.0000   48.800   12.441  ?   ?    19.221   2.8253 0.000000 2.825252 
1 1 1    5   46   28 f   11.919   3.2239   19.900   9.2925   0.0000   0.0000   19.900   9.2925  ?   ?    11.919   3.2239 0.000000 3.223876 
1 1 1    5   46   29 o   7.3262   2.7116   6.1000   6.2212   0.0000   0.0000   6.1000   6.2212  ?   ?    7.3262   2.7116 0.000000 2.711622 
1 1 1    5   46   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   46   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47    9 o   64.849   6.1767  586.200   93.443   0.0000   0.0000  586.200   93.443  ?   ?    64.849   6.1767 0.000000 6.176697 
1 1 1    5   47   10 o   13.896   2.6937   24.300   8.5201   0.0000   0.0000   24.300   8.5201  ?   ?    13.896   2.6937 0.000000 2.693743 
1 1 1    5   47   11 o   20.253   2.7733   51.000   12.915   0.0000   0.0000   51.000   12.915  ?   ?    20.253   2.7733 0.000000 2.773298 
1 1 1    5   47   12 o   10.437   2.7548   13.800   6.8888   0.0000   0.0000   13.800   6.8888  ?   ?    10.437   2.7548 0.000000 2.754842 
1 1 1    5   47   13 o   45.300   4.3356  266.100   45.812   0.0000   0.0000  266.100   45.812  ?   ?    45.300   4.3356 0.000000 4.335609 
1 1 1    5   47   14 o   7.1679   2.5196   5.6000   5.2865   0.0000   0.0000   5.6000   5.2865  ?   ?    7.1679   2.5196 0.000000 2.519613 
1 1 1    5   47   15 o   12.439   3.0923   19.900   9.0442   0.0000   0.0000   19.900   9.0442  ?   ?    12.439   3.0923 0.000000 3.092318 
1 1 1    5   47   16 o   13.642   2.6410   23.500   8.2006   0.0000   0.0000   23.500   8.2006  ?   ?    13.642   2.6410 0.000000 2.641032 
1 1 1    5   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   48   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   50   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   52   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   53   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    5   54    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0    1 o  124.343   6.5397  1844.46  190.806  1844.46  190.806  1844.46  190.806  124.343   6.5397  124.343   6.5397 0.000000 0.000000 
1 1 1    6    0    2 o   50.791   3.0499  308.002   36.277  308.002   36.277  308.002   36.277   50.791   3.0499   50.791   3.0499 0.000000 0.000000 
1 1 1    6    0    3 o   22.659   1.7847   61.749   9.4131   61.749   9.4131   61.749   9.4131   22.659   1.7847   22.659   1.7847 0.000000 0.000000 
1 1 1    6    0    4 o  131.823   7.0713  2073.89  218.669  2073.89  218.669  2073.89  218.669  131.823   7.0713  131.823   7.0713 0.000000 0.000000 
1 1 1    6    0    5 o  194.968   10.394  4545.63  475.411  4545.63  475.411  4545.63  475.411  194.968   10.394  194.968   10.394 0.000000 0.000000 
1 1 1    6    0    6 o  149.745   8.0262  2676.12  281.945  2676.12  281.945  2676.12  281.945  149.745   8.0262  149.745   8.0262 0.000000 0.000000 
1 1 1    6    0    7 o  181.921   9.8354  3952.70  419.686  3952.70  419.686  3952.70  419.686  181.921   9.8354  181.921   9.8354 0.000000 0.000000 
1 1 1    6    0    8 o   52.233   3.1359  325.671   38.359  325.671   38.359  325.671   38.359   52.233   3.1359   52.233   3.1359 0.000000 0.000000 
1 1 1    6    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   10 o  344.360   26.714 14466.10  2142.20 14466.10  2142.20 14466.10  2142.20  344.360   26.714  344.360   26.714 0.000000 0.000000 
1 1 1    6    0   11 o   14.946   1.5220   27.189   5.2439   27.189   5.2439   27.189   5.2439   14.946   1.5220   14.946   1.5220 0.000000 0.000000 
1 1 1    6    0   12 o   72.877   4.1165  633.301   70.324  633.301   70.324  633.301   70.324   72.877   4.1165   72.877   4.1165 0.000000 0.000000 
1 1 1    6    0   13 f  324.785   25.126 12866.70  1900.48 12866.70  1900.48 12866.70  1900.48  324.785   25.126  324.785   25.126 0.000000 0.000000 
1 1 1    6    0   14 o  257.043   19.823  8019.20  1186.77  8019.20  1186.77  8019.20  1186.77  257.043   19.823  257.043   19.823 0.000000 0.000000 
1 1 1    6    0   15 o  349.024   27.152 14947.20  2206.67 14947.20  2206.67 14947.20  2206.67  349.024   27.152  349.024   27.152 0.000000 0.000000 
1 1 1    6    0   16 o   95.765   7.5824  1105.10  168.992  1105.10  168.992  1105.10  168.992   95.765   7.5824   95.765   7.5824 0.000000 0.000000 
1 1 1    6    0   17 o  260.542   20.216  8287.60  1226.52  8287.60  1226.52  8287.60  1226.52  260.542   20.216  260.542   20.216 0.000000 0.000000 
1 1 1    6    0   18 o  337.442   26.547 14123.80  2085.25 14123.80  2085.25 14123.80  2085.25  337.442   26.547  337.442   26.547 0.000000 0.000000 
1 1 1    6    0   19 o   47.432   4.1754  272.000   45.933  272.000   45.933  272.000   45.933   47.432   4.1754   47.432   4.1754 0.000000 0.000000 
1 1 1    6    0   20 o  138.977   10.833  2338.10  350.552  2338.10  350.552  2338.10  350.552  138.977   10.833  138.977   10.833 0.000000 0.000000 
1 1 1    6    0   21 o  258.624   20.303  8261.10  1222.33  8261.10  1222.33  8261.10  1222.33  258.624   20.303  258.624   20.303 0.000000 0.000000 
1 1 1    6    0   22 o  205.562   16.102  5175.60  770.563  5175.60  770.563  5175.60  770.563  205.562   16.102  205.562   16.102 0.000000 0.000000 
1 1 1    6    0   23 o  263.807   20.911  8657.10  1283.81  8657.10  1283.81  8657.10  1283.81  263.807   20.911  263.807   20.911 0.000000 0.000000 
1 1 1    6    0   24 o   74.475   6.0754  669.900  105.207  669.900  105.207  669.900  105.207   74.475   6.0754   74.475   6.0754 0.000000 0.000000 
1 1 1    6    0   25 o   69.205   5.6742  578.400   91.293  578.400   91.293  578.400   91.293   69.205   5.6742   69.205   5.6742 0.000000 0.000000 
1 1 1    6    0   26 o  314.479   25.484 12617.70  1863.85 12617.70  1863.85 12617.70  1863.85  314.479   25.484  314.479   25.484 0.000000 0.000000 
1 1 1    6    0   27 o   10.319   2.8929   15.200   6.1007   15.200   6.1007   15.200   6.1007   10.319   2.8929   10.319   2.8929 0.000000 0.000000 
1 1 1    6    0   28 o   32.264   3.2720  126.800   24.341  126.800   24.341  126.800   24.341   32.264   3.2720   32.264   3.2720 0.000000 0.000000 
1 1 1    6    0   29 o  204.590   16.222  5203.80  772.357  5203.80  772.357  5203.80  772.357  204.590   16.222  204.590   16.222 0.000000 0.000000 
1 1 1    6    0   30 o  127.997   10.152  2001.60  302.398  2001.60  302.398  2001.60  302.398  127.997   10.152  127.997   10.152 0.000000 0.000000 
1 1 1    6    0   31 o   7.5967   3.1611   9.6000   5.6581   9.6000   5.6581   9.6000   5.6581   7.5967   3.1611   7.5967   3.1611 0.000000 0.000000 
1 1 1    6    0   32 o  207.792   17.055  5552.80  823.880  5552.80  823.880  5552.80  823.880  207.792   17.055  207.792   17.055 0.000000 0.000000 
1 1 1    6    0   33 o   20.226   2.7433   51.000   12.423   51.000   12.423   51.000   12.423   20.226   2.7433   20.226   2.7433 0.000000 0.000000 
1 1 1    6    0   34 o   56.684   4.8391  390.800   63.686  390.800   63.686  390.800   63.686   56.684   4.8391   56.684   4.8391 0.000000 0.000000 
1 1 1    6    0   35 o   37.239   3.5731  169.100   30.756  169.100   30.756  169.100   30.756   37.239   3.5731   37.239   3.5731 0.000000 0.000000 
1 1 1    6    0   36 o   20.405   2.7758   52.000   12.676   52.000   12.676   52.000   12.676   20.405   2.7758   20.405   2.7758 0.000000 0.000000 
1 1 1    6    0   37 o   52.896   4.5867  341.700   56.301  341.700   56.301  341.700   56.301   52.896   4.5867   52.896   4.5867 0.000000 0.000000 
1 1 1    6    0   38 o   16.556   2.7707   35.100   9.9204   35.100   9.9204   35.100   9.9204   16.556   2.7707   16.556   2.7707 0.000000 0.000000 
1 1 1    6    0   39 o   47.381   4.2378  274.800   46.542  274.800   46.542  274.800   46.542   47.381   4.2378   47.381   4.2378 0.000000 0.000000 
1 1 1    6    0   40 o   60.893   5.2026  457.200   73.552  457.200   73.552  457.200   73.552   60.893   5.2026   60.893   5.2026 0.000000 0.000000 
1 1 1    6    0   41 o   73.395   6.2348  675.300  106.262  675.300  106.262  675.300  106.262   73.395   6.2348   73.395   6.2348 0.000000 0.000000 
1 1 1    6    0   42 o   57.837   5.0631  416.800   67.930  416.800   67.930  416.800   67.930   57.837   5.0631   57.837   5.0631 0.000000 0.000000 
1 1 1    6    0   43 o   19.439   2.9423   48.100   12.590   48.100   12.590   48.100   12.590   19.439   2.9423   19.439   2.9423 0.000000 0.000000 
1 1 1    6    0   44 o   13.044   2.9220   23.100   7.8587   23.100   7.8587   23.100   7.8587   13.044   2.9220   13.044   2.9220 0.000000 0.000000 
1 1 1    6    0   45 o   7.3625   3.2044   9.3000   5.7748   9.3000   5.7748   9.3000   5.7748   7.3625   3.2044   7.3625   3.2044 0.000000 0.000000 
1 1 1    6    0   46 o   5.9307   3.0475   6.2000   5.4378   6.2000   5.4378   6.2000   5.4378   5.9307   3.0475   5.9307   3.0475 0.000000 0.000000 
1 1 1    6    0   47 o   17.440   2.9297   39.400   11.042   39.400   11.042   39.400   11.042   17.440   2.9297   17.440   2.9297 0.000000 0.000000 
1 1 1    6    0   48 f   15.177   3.2328   31.200   10.182   31.200   10.182   31.200   10.182   15.177   3.2328   15.177   3.2328 0.000000 0.000000 
1 1 1    6    0   49 o   15.224   2.9746   30.900   9.5250   30.900   9.5250   30.900   9.5250   15.224   2.9746   15.224   2.9746 0.000000 0.000000 
1 1 1    6    0   50 o   41.619   4.0445  221.900   38.886  221.900   38.886  221.900   38.886   41.619   4.0445   41.619   4.0445 0.000000 0.000000 
1 1 1    6    0   51 o   18.352   3.0806   44.300   12.220   44.300   12.220   44.300   12.220   18.352   3.0806   18.352   3.0806 0.000000 0.000000 
1 1 1    6    0   52 o   11.232   3.1522   18.500   7.2361   18.500   7.2361   18.500   7.2361   11.232   3.1522   11.232   3.1522 0.000000 0.000000 
1 1 1    6    0   53 o   27.947   3.3786  101.100   21.431  101.100   21.431  101.100   21.431   27.947   3.3786   27.947   3.3786 0.000000 0.000000 
1 1 1    6    0   54 f   17.574   3.2077   41.800   11.999   41.800   11.999   41.800   11.999   17.574   3.2077   17.574   3.2077 0.000000 0.000000 
1 1 1    6    0   55 o  ?   ?  -11.6000   2.7628 -11.6000   2.7628 -11.6000   2.7628  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    6    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1    0 o  164.803   12.765  3289.60  489.918  3289.60  489.918  3289.60  489.918  164.803   12.765  164.803   12.765 0.000000 0.000000 
1 1 1    6    1    1 o  106.883   5.7924  1357.26  145.647  1328.60  205.995  1385.90  205.957  105.390   8.3457  107.682   8.1604 -2.292076 11.67230 
1 1 1    6    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1    3 o  141.547   7.5792  2385.15  252.410  2506.10  356.962  2264.20  356.960  144.561   10.529  137.246   11.110 7.314926 15.30664 
1 1 1    6    1    4 o  167.864   8.9461  3359.78  353.334  3326.80  499.567  3392.80  499.811  166.182   12.830  167.865   12.703 -1.683090 18.05485 
1 1 1    6    1    5 o  133.814   7.1571  2128.78  225.334  2093.50  318.599  2164.10  318.742  132.213   10.286  134.467   10.112 -2.254715 14.42423 
1 1 1    6    1    6 o   88.308   4.8274  924.940  100.282  900.000  141.792  949.900  141.847   86.886   6.9696   89.300   6.7773 -2.413895 9.721516 
1 1 1    6    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1   10 o  189.415   9.9723  4266.24  444.467  4189.40  627.311  4343.70  629.840  186.995   14.315  190.466   14.104 -3.471313 20.09618 
1 1 1    6    1   11 o  362.938   28.183 16194.80  2396.42 16194.80  2396.42   0.0000   0.0000  362.938   28.183  ?   ?  0.000000 28.18306 
1 1 1    6    1   12 o  142.126   10.835  2411.90  360.908  2411.90  360.908   0.0000   0.0000  142.126   10.835  ?   ?  0.000000 10.83537 
1 1 1    6    1   13 o  318.916   24.560 12435.30  1835.30 12435.30  1835.30   0.0000   0.0000  318.916   24.560  ?   ?  0.000000 24.55967 
1 1 1    6    1   14 o  160.153   8.7739  3049.88  330.549  3253.70  466.921  2845.10  468.015  164.929   12.073  154.002   12.991 10.92679 17.73482 
1 1 1    6    1   15 o  383.777   30.347 18434.40  2727.68 18434.40  2727.68   0.0000   0.0000  383.777   30.347  ?   ?  0.000000 30.34658 
1 1 1    6    1   16 o  206.676   15.788  5158.50  764.665  5158.50  764.665   0.0000   0.0000  206.676   15.788  ?   ?  0.000000 15.78760 
1 1 1    6    1   17 o  304.012   23.775 11473.30  1693.19 11473.30  1693.19   0.0000   0.0000  304.012   23.775  ?   ?  0.000000 23.77526 
1 1 1    6    1   18 o  129.746   9.9628  2017.60  302.908  2017.60  302.908   0.0000   0.0000  129.746   9.9628  ?   ?  0.000000 9.962793 
1 1 1    6    1   19 o   20.559   1.7870   50.299   8.5889   50.600   12.161   50.000   12.132   20.535   2.5637   20.410   2.5746 0.1252632 3.633349 
1 1 1    6    1   20 o  178.789   9.7183  3829.97  408.753  3942.70  577.250  3716.60  578.881  180.143   13.672  174.696   14.154 5.447159 19.67930 
1 1 1    6    1   21 o  109.212   5.8592  1418.94  150.550  1390.60  212.489  1447.50  213.333  107.678   8.4240  109.900   8.2813 -2.221741 11.81291 
1 1 1    6    1   22 o  126.046   6.7785  1894.27  201.016  1836.20  284.071  1952.50  284.487  123.432   9.8277  127.380   9.5270 -3.948196 13.68750 
1 1 1    6    1   23 o   77.545   3.6632  711.539   67.079  539.600   94.386  887.000   95.348   67.140   6.0173   86.393   4.6914 -19.25341 7.629982 
1 1 1    6    1   24 o  305.907   25.465 12355.50  1822.76 12355.50  1822.76   0.0000   0.0000  305.907   25.465  ?   ?  0.000000 25.46488 
1 1 1    6    1   25 o  125.203   9.7024  1893.40  284.611  1893.40  284.611   0.0000   0.0000  125.203   9.7024  ?   ?  0.000000 9.702398 
1 1 1    6    1   26 o   38.534   3.5282  177.200   31.747  177.200   31.747   0.0000   0.0000   38.534   3.5282  ?   ?  0.000000 3.528160 
1 1 1    6    1   27 f  257.810   21.141  8633.50  1275.70  8633.50  1275.70   0.0000   0.0000  257.810   21.141  ?   ?  0.000000 21.14091 
1 1 1    6    1   28 o  178.824   14.082  3969.50  589.845  3969.50  589.845   0.0000   0.0000  178.824   14.082  ?   ?  0.000000 14.08241 
1 1 1    6    1   29 o   95.243   7.4837  1093.50  166.954  1093.50  166.954   0.0000   0.0000   95.243   7.4837  ?   ?  0.000000 7.483662 
1 1 1    6    1   30 f  115.005   9.0311  1611.50  243.281  1611.50  243.281   0.0000   0.0000  115.005   9.0311  ?   ?  0.000000 9.031052 
1 1 1    6    1   31 o  164.071   13.255  3417.70  509.168  3417.70  509.168   0.0000   0.0000  164.071   13.255  ?   ?  0.000000 13.25539 
1 1 1    6    1   32 o   52.383   4.4403  329.400   54.408  329.400   54.408   0.0000   0.0000   52.383   4.4403  ?   ?  0.000000 4.440325 
1 1 1    6    1   33 o   76.103   6.1533  703.900  109.634  703.900  109.634   0.0000   0.0000   76.103   6.1533  ?   ?  0.000000 6.153343 
1 1 1    6    1   34 f   46.007   4.0278  254.800   43.316  254.800   43.316   0.0000   0.0000   46.007   4.0278  ?   ?  0.000000 4.027789 
1 1 1    6    1   35 o   16.163   2.4481   31.700   9.0513   31.700   9.0513   0.0000   0.0000   16.163   2.4481  ?   ?  0.000000 2.448121 
1 1 1    6    1   36 o   61.944   5.1776  468.700   75.038  468.700   75.038   0.0000   0.0000   61.944   5.1776  ?   ?  0.000000 5.177565 
1 1 1    6    1   37 o   49.765   4.3137  300.900   50.190  300.900   50.190   0.0000   0.0000   49.765   4.3137  ?   ?  0.000000 4.313650 
1 1 1    6    1   38 o   50.133   4.3510  306.300   50.998  306.300   50.998   0.0000   0.0000   50.133   4.3510  ?   ?  0.000000 4.351005 
1 1 1    6    1   39 o   19.371   2.5723   45.500   11.475   45.500   11.475   0.0000   0.0000   19.371   2.5723  ?   ?  0.000000 2.572339 
1 1 1    6    1   40 o   36.598   3.4752  162.800   29.672  162.800   29.672   0.0000   0.0000   36.598   3.4752  ?   ?  0.000000 3.475154 
1 1 1    6    1   41 f   39.628   3.6829  192.300   34.069  192.300   34.069   0.0000   0.0000   39.628   3.6829  ?   ?  0.000000 3.682883 
1 1 1    6    1   42 o   36.751   3.5158  166.000   30.139  166.000   30.139   0.0000   0.0000   36.751   3.5158  ?   ?  0.000000 3.515794 
1 1 1    6    1   43 o   23.280   2.7890   66.400   15.027   66.400   15.027   0.0000   0.0000   23.280   2.7890  ?   ?  0.000000 2.789016 
1 1 1    6    1   44 o   9.3361   2.3622   10.900   5.2119   10.900   5.2119   0.0000   0.0000   9.3361   2.3622  ?   ?  0.000000 2.362220 
1 1 1    6    1   45 o   41.892   3.9466  221.500   38.580  221.500   38.580   0.0000   0.0000   41.892   3.9466  ?   ?  0.000000 3.946566 
1 1 1    6    1   46 f   52.297   4.8188  356.800   58.839  356.800   58.839   0.0000   0.0000   52.297   4.8188  ?   ?  0.000000 4.818787 
1 1 1    6    1   47 o   17.368   2.5732   37.400   10.234   37.400   10.234   0.0000   0.0000   17.368   2.5732  ?   ?  0.000000 2.573227 
1 1 1    6    1   48 o   35.067   3.5371  156.100   28.889  156.100   28.889   0.0000   0.0000   35.067   3.5371  ?   ?  0.000000 3.537138 
1 1 1    6    1   49 o   31.244   3.3189  124.300   24.111  124.300   24.111   0.0000   0.0000   31.244   3.3189  ?   ?  0.000000 3.318914 
1 1 1    6    1   50 o   13.305   2.5239   22.500   7.6393   22.500   7.6393   0.0000   0.0000   13.305   2.5239  ?   ?  0.000000 2.523867 
1 1 1    6    1   51 o   32.552   3.4709  138.800   26.268  138.800   26.268   0.0000   0.0000   32.552   3.4709  ?   ?  0.000000 3.470861 
1 1 1    6    1   52 o   30.384   3.3355  120.800   23.538  120.800   23.538   0.0000   0.0000   30.384   3.3355  ?   ?  0.000000 3.335453 
1 1 1    6    1   53 o   16.625   2.6909   35.700   10.203   35.700   10.203   0.0000   0.0000   16.625   2.6909  ?   ?  0.000000 2.690887 
1 1 1    6    1   54 o   16.465   2.7587   35.700   10.346   35.700   10.346   0.0000   0.0000   16.465   2.7587  ?   ?  0.000000 2.758705 
1 1 1    6    1   55 o   10.287   2.6711   14.500   6.5459   14.500   6.5459   0.0000   0.0000   10.287   2.6711  ?   ?  0.000000 2.671050 
1 1 1    6    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2    0 o  294.380   23.097 10682.00  1582.83 10682.00  1582.83 10682.00  1582.83  294.380   23.097  294.380   23.097 0.000000 0.000000 
1 1 1    6    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2    2 o  225.211   17.392  6196.10  917.736  6196.10  917.736   0.0000   0.0000  225.211   17.392  ?   ?  0.000000 17.39177 
1 1 1    6    2    3 o  144.740   7.5040  2492.78  255.595  2228.00  361.245  2758.20  361.687  136.117   11.342  151.800   10.149 -15.68365 15.21979 
1 1 1    6    2    4 o  209.392   11.479  5250.06  565.409  5517.00  798.335  4981.40  800.888  213.298   15.966  202.292   16.921 11.00645 23.26479 
1 1 1    6    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2    7 o  307.151   23.693 11550.70  1705.16 11550.70  1705.16   0.0000   0.0000  307.151   23.693  ?   ?  0.000000 23.69300 
1 1 1    6    2    8 o  253.850   19.357  7789.70  1151.58  7789.70  1151.58   0.0000   0.0000  253.850   19.357  ?   ?  0.000000 19.35705 
1 1 1    6    2    9 o  289.152   22.095 10141.30  1497.22 10141.30  1497.22   0.0000   0.0000  289.152   22.095  ?   ?  0.000000 22.09521 
1 1 1    6    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2   11 o   17.691   1.5968   37.256   6.5985   49.000   9.3492   25.600   9.3144   20.274   1.9781   14.473   2.8268 5.800467 3.450148 
1 1 1    6    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2   13 o  173.643   9.6039  3587.27  392.262  3857.90  553.854  3314.90  555.635  179.514   13.157  166.111   14.305 13.40282 19.43573 
1 1 1    6    2   14 o  150.800   8.3293  2703.21  295.452  2913.10  417.281  2492.20  418.385  156.119   11.398  144.164   12.411 11.95467 16.85068 
1 1 1    6    2   15 f  193.814   10.632  4478.40  484.728  4743.40  684.485  4211.80  686.536  198.627   14.698  186.860   15.705 11.76770 21.50977 
1 1 1    6    2   16 o  267.280   20.603  8733.50  1290.29  8733.50  1290.29   0.0000   0.0000  267.280   20.603  ?   ?  0.000000 20.60254 
1 1 1    6    2   17 o  309.783   24.285 11943.60  1762.22 11943.60  1762.22   0.0000   0.0000  309.783   24.285  ?   ?  0.000000 24.28467 
1 1 1    6    2   18 o   20.696   2.5938   51.400   12.398   51.400   12.398   0.0000   0.0000   20.696   2.5938  ?   ?  0.000000 2.593801 
1 1 1    6    2   19 o  210.171   11.225  5302.86  555.057  5274.70  783.698  5331.20  786.248  207.818   16.095  208.951   16.058 -1.132904 22.73588 
1 1 1    6    2   20 o  141.151   7.6766  2376.88  254.907  2449.40  360.039  2304.00  360.948  142.594   10.772  138.171   11.158 4.422302 15.50937 
1 1 1    6    2   21 o  110.807   5.9167  1460.84  154.254  1420.30  217.710  1501.70  218.588  108.802   8.5425  111.938   8.3293 -3.135849 11.93113 
1 1 1    6    2   22 o  213.951   11.530  5529.49  580.361  5527.50  819.404  5531.50  822.111  211.420   16.545  211.467   16.597 -0.4663086E-01 23.43493 
1 1 1    6    2   23 o  233.502   12.810  6629.83  703.637  6827.60  993.776  6431.00  996.416  233.613   18.157  226.221   18.824 7.391953 26.15386 
1 1 1    6    2   24 o   83.673   4.6469  832.281   91.454  839.200  129.051  825.300  129.622   83.738   6.5794   83.022   6.6681 0.7157059 9.367663 
1 1 1    6    2   25 o  162.697   8.4992  3174.99  325.394  3025.10  459.020  3326.40  461.343  157.393   12.452  165.321   11.897 -7.927673 17.22210 
1 1 1    6    2   26 o   54.524   3.2306  352.936   41.409  403.300   58.540  302.500   58.582   58.184   4.2910   50.249   5.0036 7.934731 6.591579 
1 1 1    6    2   27 o  187.874   10.317  4274.28  455.954  4413.40  643.938  4134.40  645.699  188.613   14.571  182.171   15.148 6.442200 21.01828 
1 1 1    6    2   28 o   23.050   1.8071   63.161   9.7567   56.200   13.712   70.300   13.886   21.626   2.7471   24.260   2.4578 -2.634520 3.686143 
1 1 1    6    2   29 o   31.155   2.1807  115.310   15.942  117.600   22.499  113.000   22.592   31.370   3.0768   30.735   3.1579 0.6358223 4.408930 
1 1 1    6    2   30 o  149.596   7.5606  2697.73  266.211  2393.10  375.308  3006.20  377.661  138.979   11.540  156.607   10.269 -17.62750 15.44800 
1 1 1    6    2   31 o   64.954   5.3040  507.000   80.643  507.000   80.643   0.0000   0.0000   64.954   5.3040  ?   ?  0.000000 5.304042 
1 1 1    6    2   32 o   11.199   2.3261   15.400   5.9503   15.400   5.9503   0.0000   0.0000   11.199   2.3261  ?   ?  0.000000 2.326070 
1 1 1    6    2   33 o   39.762   3.6217  189.700   33.633  189.700   33.633   0.0000   0.0000   39.762   3.6217  ?   ?  0.000000 3.621740 
1 1 1    6    2   34 o   61.896   5.1336  464.300   74.355  464.300   74.355   0.0000   0.0000   61.896   5.1336  ?   ?  0.000000 5.133588 
1 1 1    6    2   35 o   69.649   5.7270  593.200   93.355  593.200   93.355   0.0000   0.0000   69.649   5.7270  ?   ?  0.000000 5.726959 
1 1 1    6    2   36 o   70.296   5.8110  607.800   95.594  607.800   95.594   0.0000   0.0000   70.296   5.8110  ?   ?  0.000000 5.810977 
1 1 1    6    2   37 o   53.289   4.5670  345.900   56.914  345.900   56.914   0.0000   0.0000   53.289   4.5670  ?   ?  0.000000 4.567008 
1 1 1    6    2   38 o   33.251   3.2587  133.600   25.258  133.600   25.258   0.0000   0.0000   33.251   3.2587  ?   ?  0.000000 3.258668 
1 1 1    6    2   39 o   90.085   7.6106  1047.20  160.381  1047.20  160.381   0.0000   0.0000   90.085   7.6106  ?   ?  0.000000 7.610606 
1 1 1    6    2   40 f   33.338   3.2817  134.900   25.500  134.900   25.500   0.0000   0.0000   33.338   3.2817  ?   ?  0.000000 3.281723 
1 1 1    6    2   41 o   22.195   2.6950   59.900   13.835   59.900   13.835   0.0000   0.0000   22.195   2.6950  ?   ?  0.000000 2.694992 
1 1 1    6    2   42 o   43.265   3.9643  231.900   40.051  231.900   40.051   0.0000   0.0000   43.265   3.9643  ?   ?  0.000000 3.964318 
1 1 1    6    2   43 o   20.265   2.6273   50.300   12.277   50.300   12.277   0.0000   0.0000   20.265   2.6273  ?   ?  0.000000 2.627335 
1 1 1    6    2   44 o   17.376   2.5486   37.200   10.146   37.200   10.146   0.0000   0.0000   17.376   2.5486  ?   ?  0.000000 2.548608 
1 1 1    6    2   45 o   36.788   3.5793  169.200   30.699  169.200   30.699   0.0000   0.0000   36.788   3.5793  ?   ?  0.000000 3.579297 
1 1 1    6    2   46 o   22.449   2.7339   62.200   14.193   62.200   14.193   0.0000   0.0000   22.449   2.7339  ?   ?  0.000000 2.733850 
1 1 1    6    2   47 o   43.479   4.1048  241.900   41.645  241.900   41.645   0.0000   0.0000   43.479   4.1048  ?   ?  0.000000 4.104795 
1 1 1    6    2   48 o   28.182   3.1013   99.600   20.297   99.600   20.297   0.0000   0.0000   28.182   3.1013  ?   ?  0.000000 3.101297 
1 1 1    6    2   49 o   26.014   3.0141   85.400   18.172   85.400   18.172   0.0000   0.0000   26.014   3.0141  ?   ?  0.000000 3.014053 
1 1 1    6    2   50 o   22.824   2.8537   66.000   15.045   66.000   15.045   0.0000   0.0000   22.824   2.8537  ?   ?  0.000000 2.853746 
1 1 1    6    2   51 o   4.3146   1.8389   0.1000   3.2968   0.1000   3.2968   0.0000   0.0000   4.3146   1.8389  ?   ?  0.000000 1.838913 
1 1 1    6    2   52 o   15.670   2.7133   31.600   9.6761   31.600   9.6761   0.0000   0.0000   15.670   2.7133  ?   ?  0.000000 2.713334 
1 1 1    6    2   53 o   32.974   3.6277  146.500   27.779  146.500   27.779   0.0000   0.0000   32.974   3.6277  ?   ?  0.000000 3.627687 
1 1 1    6    2   54 o   10.331   2.6480   14.200   6.4898   14.200   6.4898   0.0000   0.0000   10.331   2.6480  ?   ?  0.000000 2.648026 
1 1 1    6    2   55 o   7.3571   2.3570   7.0000   4.6343   7.0000   4.6343   0.0000   0.0000   7.3571   2.3570  ?   ?  0.000000 2.357036 
1 1 1    6    2   56 o   7.6775   2.6117   7.9000   5.6624   7.9000   5.6624   0.0000   0.0000   7.6775   2.6117  ?   ?  0.000000 2.611678 
1 1 1    6    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3    1 o  137.100   7.3474  2236.75  237.000  2265.90  335.190  2207.60  335.148  137.460   10.404  135.640   10.547 1.819336 14.81441 
1 1 1    6    3    2 o   81.595   4.4846  789.866   86.075  766.000  121.642  813.800  121.815   80.135   6.4839   82.637   6.2898 -2.501999 9.033408 
1 1 1    6    3    3 o  209.015   11.186  5228.02  550.091  5335.20  777.677  5120.70  778.215  209.768   15.816  205.360   16.179 4.408173 22.62560 
1 1 1    6    3    4 o  189.722   10.101  4295.92  450.883  4686.60  637.667  3905.30  637.623  197.299   13.773  179.636   15.174 17.66327 20.49260 
1 1 1    6    3    5 o  307.172   23.983 11650.40  1725.78 11650.40  1725.78   0.0000   0.0000  307.172   23.983  ?   ?  0.000000 23.98273 
1 1 1    6    3    6 o  197.889   10.567  4667.98  491.987  4754.40  695.459  4581.40  696.091  198.787   14.925  195.042   15.235 3.745712 21.32703 
1 1 1    6    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3   10 o  188.378   10.075  4220.47  446.556  4342.40  631.225  4098.30  631.826  190.427   14.139  184.882   14.591 5.545166 20.31739 
1 1 1    6    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3   12 o   96.512   7.4875  1109.30  169.304  1109.30  169.304   0.0000   0.0000   96.512   7.4875  ?   ?  0.000000 7.487521 
1 1 1    6    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3   15 o  153.523   8.4115  2803.22  303.776  2921.00  428.667  2684.40  430.549  156.202   11.707  149.596   12.297 6.605164 16.97850 
1 1 1    6    3   16 o  269.696   15.093  8755.61  957.320  9631.80  1352.15  7875.00  1355.56  280.669   20.545  252.543   22.983 28.12578 30.82663 
1 1 1    6    3   17 o  159.041   8.8451  3015.30  330.870  3284.40  467.271  2744.70  468.573  165.352   12.050  150.787   13.296 14.56477 17.94416 
1 1 1    6    3   18 o  263.500   14.433  8388.06  894.629  8700.00  1263.26  8074.20  1267.14  265.469   20.306  255.184   21.221 10.28548 29.37112 
1 1 1    6    3   19 o   93.707   5.2378  1043.21  115.436  1100.30  163.022  985.800  163.480   95.982   7.2462   90.750   7.7016 5.231773 10.57455 
1 1 1    6    3   20 o  161.728   8.1543  3122.43  310.407  2837.80  437.748  3410.30  440.227  153.106   12.209  168.257   11.143 -15.15079 16.53000 
1 1 1    6    3   21 o  268.450   14.393  8779.74  909.072  8581.40  1283.48  8979.40  1287.78  260.913   21.010  267.277   20.562 -6.363770 29.39745 
1 1 1    6    3   22 o   45.477   2.7603  245.369   29.502  231.700   41.675  259.100   41.770   44.058   4.0511   46.637   3.8267 -2.578285 5.572696 
1 1 1    6    3   23 o   89.156   4.9635  945.241  104.081  972.800  146.952  917.500  147.435   90.146   6.9573   87.487   7.2006 2.658485 10.01264 
1 1 1    6    3   24 o   39.927   2.3623  189.059   22.173  158.900   31.260  219.600   31.457   36.458   3.6815   42.978   3.1209 -6.519661 4.826313 
1 1 1    6    3   25 o   84.999   4.7640  859.255   95.235  895.400  134.488  822.900  134.878   86.486   6.6359   82.831   6.9603 3.655312 9.616686 
1 1 1    6    3   26 o  317.916   16.999 12638.58  1271.52 11899.50  1794.08 13384.50  1802.35  297.997   25.749  318.363   24.155 -20.36514 35.30508 
1 1 1    6    3   27 o  230.175   12.734  6492.58  689.420  6654.80  973.392  6329.30  976.589  228.805   18.166  222.594   18.754 6.210510 26.10961 
1 1 1    6    3   28 o   49.027   2.7414  285.186   31.610  251.400   44.499  319.600   44.911   45.865   4.1538   51.814   3.6948 -5.949245 5.559296 
1 1 1    6    3   29 o  101.673   5.5389  1234.35  132.479  1224.30  186.893  1244.50  187.818  100.670   7.9261  101.510   7.8976 -0.8403778 11.18906 
1 1 1    6    3   30 o   55.365   3.2332  364.388   42.086  362.200   59.355  366.600   59.683   55.005   4.6124   55.341   4.6090 -0.3363571 6.520494 
1 1 1    6    3   31 o  139.580   7.6694  2362.19  251.811  2386.00  355.419  2338.20  356.814  138.423   10.963  136.911   11.133 1.511429 15.62500 
1 1 1    6    3   32 o  101.796   5.6003  1246.50  134.101  1232.70  189.642  1260.30  189.653  100.239   8.0805  101.405   7.9848 -1.166237 11.36010 
1 1 1    6    3   33 o   78.503   4.3945  738.695   81.136  748.100  114.773  729.300  114.715   78.410   6.2507   77.383   6.3334 1.027237 8.898501 
1 1 1    6    3   34 o   90.964   5.0410  998.773  107.857  1049.10  152.574  948.500  152.493   92.286   7.0548   87.517   7.4499 4.768883 10.26018 
1 1 1    6    3   35 o   25.002   1.9693   74.518   11.532   64.800   16.324   84.200   16.293   23.132   3.0640   26.492   2.6397 -3.359938 4.044236 
1 1 1    6    3   36 o   73.470   4.1852  651.111   72.309  654.600  102.100  647.600  102.422   72.873   5.9862   72.452   6.0417 0.4210587 8.505119 
1 1 1    6    3   37 f   8.2717   2.2280   8.4000   4.4494   8.4000   4.4494   0.0000   0.0000   8.2717   2.2280  ?   ?  0.000000 2.228044 
1 1 1    6    3   38 o   32.115   3.1907  124.600   23.877  124.600   23.877   0.0000   0.0000   32.115   3.1907  ?   ?  0.000000 3.190735 
1 1 1    6    3   39 o   65.001   5.4857  524.900   83.413  524.900   83.413   0.0000   0.0000   65.001   5.4857  ?   ?  0.000000 5.485656 
1 1 1    6    3   40 o   86.674   7.4074  977.800  150.150  977.800  150.150   0.0000   0.0000   86.674   7.4074  ?   ?  0.000000 7.407369 
1 1 1    6    3   41 o   3.7695   1.5847   0.2000   2.3931   0.2000   2.3931   0.0000   0.0000   3.7695   1.5847  ?   ?  0.000000 1.584700 
1 1 1    6    3   42 o   18.922   2.6016   43.800   11.317   43.800   11.317   0.0000   0.0000   18.922   2.6016  ?   ?  0.000000 2.601617 
1 1 1    6    3   43 o   17.013   2.5538   35.600   9.9428   35.600   9.9428   0.0000   0.0000   17.013   2.5538  ?   ?  0.000000 2.553766 
1 1 1    6    3   44 o   37.619   3.6189  176.400   31.751  176.400   31.751   0.0000   0.0000   37.619   3.6189  ?   ?  0.000000 3.618858 
1 1 1    6    3   45 f   23.437   2.7910   67.700   15.142   67.700   15.142   0.0000   0.0000   23.437   2.7910  ?   ?  0.000000 2.790956 
1 1 1    6    3   46 o   37.589   3.6485  177.600   31.976  177.600   31.976   0.0000   0.0000   37.589   3.6485  ?   ?  0.000000 3.648454 
1 1 1    6    3   47 o   44.658   4.1839  255.900   43.606  255.900   43.606   0.0000   0.0000   44.658   4.1839  ?   ?  0.000000 4.183852 
1 1 1    6    3   48 o   39.474   3.8402  200.100   35.343  200.100   35.343   0.0000   0.0000   39.474   3.8402  ?   ?  0.000000 3.840236 
1 1 1    6    3   49 o   26.511   3.0434   88.800   18.707   88.800   18.707   0.0000   0.0000   26.511   3.0434  ?   ?  0.000000 3.043415 
1 1 1    6    3   50 o   19.090   2.7048   46.100   11.852   46.100   11.852   0.0000   0.0000   19.090   2.7048  ?   ?  0.000000 2.704799 
1 1 1    6    3   51 o   23.019   2.8994   67.800   15.411   67.800   15.411   0.0000   0.0000   23.019   2.8994  ?   ?  0.000000 2.899390 
1 1 1    6    3   52 o   8.5135   2.5722   9.2000   5.6077   9.2000   5.6077   0.0000   0.0000   8.5135   2.5722  ?   ?  0.000000 2.572219 
1 1 1    6    3   53 o   3.4274   1.5945  -2.7000   3.1282  -2.7000   3.1282   0.0000   0.0000   3.4274   1.5945  ?   ?  0.000000 1.594530 
1 1 1    6    3   54 o   1.6967   0.8296  -2.1000   1.1045  -2.1000   1.1045   0.0000   0.0000   1.6967   0.8296  ?   ?  0.000000 0.8295993 
1 1 1    6    3   55 o   8.2536   2.4149   9.1000   5.0057   9.1000   5.0057   0.0000   0.0000   8.2536   2.4149  ?   ?  0.000000 2.414869 
1 1 1    6    3   56 o   3.4251   1.6415  -4.8000   3.8056  -4.8000   3.8056   0.0000   0.0000   3.4251   1.6415  ?   ?  0.000000 1.641488 
1 1 1    6    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4    0 o   71.738   5.8417  620.500   97.448  620.500   97.448  620.500   97.448   71.738   5.8417   71.738   5.8417 0.000000 0.000000 
1 1 1    6    4    1 o  275.932   21.559  9397.30  1393.58  9397.30  1393.58   0.0000   0.0000  275.932   21.559  ?   ?  0.000000 21.55914 
1 1 1    6    4    2 o  258.222   13.253  8007.88  805.392  9164.20  1141.09  6860.00  1136.92  274.512   17.698  236.100   20.599 38.41116 27.15727 
1 1 1    6    4    3 o  247.436   19.068  7472.60  1105.53  7472.60  1105.53   0.0000   0.0000  247.436   19.068  ?   ?  0.000000 19.06798 
1 1 1    6    4    4 o  132.525   7.0994  2086.89  221.359  2070.30  312.936  2103.50  313.162  131.557   10.152  132.627   10.075 -1.069794 14.30252 
1 1 1    6    4    5 o   45.178   2.7627  242.002   29.332  264.200   41.479  219.800   41.483   47.134   3.7580   42.925   4.1442 4.209236 5.594371 
1 1 1    6    4    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4    7 o  316.272   24.430 12221.00  1810.37 12221.00  1810.37   0.0000   0.0000  316.272   24.430  ?   ?  0.000000 24.43004 
1 1 1    6    4    8 o   76.212   4.2323  688.445   75.866  680.100  107.262  696.800  107.320   75.592   6.0600   76.528   5.9865 -0.9358978 8.518345 
1 1 1    6    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4   10 f  114.689   6.1712  1560.14  166.514  1696.50  235.496  1423.80  235.476  119.389   8.4070  109.223   9.2161 10.16594 12.47450 
1 1 1    6    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4   12 o  229.387   17.464  6339.70  938.885  6339.70  938.885   0.0000   0.0000  229.387   17.464  ?   ?  0.000000 17.46449 
1 1 1    6    4   13 o  293.850   22.564 10521.50  1553.71 10521.50  1553.71   0.0000   0.0000  293.850   22.564  ?   ?  0.000000 22.56377 
1 1 1    6    4   14 o  252.663   14.139  7645.54  840.211  8535.50  1186.85  6751.40  1189.63  265.516   19.056  235.105   21.672 30.41078 28.85888 
1 1 1    6    4   15 o  185.137   9.9413  4084.07  433.017  4131.30  610.963  4036.40  613.803  185.372   14.062  183.162   14.305 2.209946 20.05957 
1 1 1    6    4   16 o   24.269   1.9231   69.997   10.931   76.000   15.462   64.000   15.455   25.227   2.6344   23.094   2.8978 2.133501 3.916290 
1 1 1    6    4   17 o  246.139   13.860  7295.08  802.289  8418.80  1133.68  6167.70  1135.53  262.582   18.400  223.019   21.843 39.56267 28.55980 
1 1 1    6    4   18 o   53.153   3.2151  335.135   40.164  364.700   56.720  305.400   56.882   55.352   4.3751   50.571   4.8217 4.781013 6.510798 
1 1 1    6    4   19 o   28.366   2.0678   95.555   13.755   96.200   19.383   94.900   19.523   28.379   2.9348   28.179   2.9791 0.1995068 4.181886 
1 1 1    6    4   20 o  164.956   9.0362  3256.66  350.638  3382.70  494.987  3129.70  496.773  167.068   12.641  160.465   13.228 6.602829 18.29676 
1 1 1    6    4   21 o  141.160   7.7810  2379.97  258.362  2570.40  364.980  2188.70  365.779  145.999   10.660  134.385   11.642 11.61371 15.78521 
1 1 1    6    4   22 f  177.030   9.2301  3759.60  384.509  3571.40  542.566  3949.50  544.998  170.977   13.550  180.125   12.899 -9.148148 18.70729 
1 1 1    6    4   23 o  205.085   10.671  5074.30  514.983  4803.60  726.561  5347.60  730.043  197.070   15.745  208.457   14.930 -11.38637 21.69773 
1 1 1    6    4   24 o   73.853   4.1663  647.994   72.361  661.400  102.165  634.500  102.503   74.393   5.8633   72.832   6.0139 1.561302 8.399106 
1 1 1    6    4   25 o   77.996   4.2968  722.871   78.831  705.400  111.234  740.500  111.735   76.780   6.1877   78.699   6.0591 -1.919533 8.660295 
1 1 1    6    4   26 f   91.624   5.0508  999.179  108.856  1005.90  153.620  992.400  154.273   91.567   7.1618   90.929   7.2451 0.6374130 10.18739 
1 1 1    6    4   27 o  116.560   6.4505  1623.45  176.853  1737.80  249.835  1508.60  250.383  119.981   8.8812  111.535   9.6003 8.446617 13.07832 
1 1 1    6    4   28 o   60.575   3.5123  435.980   50.024  447.000   70.647  424.900   70.842   61.154   4.9343   59.590   5.0831 1.563919 7.084119 
1 1 1    6    4   29 o   44.046   2.7355  230.420   28.311  240.100   39.996  220.700   40.079   44.844   3.8133   42.956   3.9971 1.888042 5.524323 
1 1 1    6    4   30 o   43.692   2.7022  226.804   27.742  220.600   39.246  233.000   39.221   42.939   3.9137   44.155   3.7986 -1.216068 5.454006 
1 1 1    6    4   31 o   20.436   1.8003   49.756   8.5987   49.100   12.219   50.400   12.103   20.196   2.6241   20.475   2.5592 -0.2791672 3.665443 
1 1 1    6    4   32 o  122.271   6.6709  1811.10  191.879  1748.80  271.256  1873.50  271.460  118.435   9.7869  122.838   9.4306 -4.402359 13.59114 
1 1 1    6    4   33 o   66.925   3.8100  535.446   59.962  523.700   84.787  547.200   84.813   65.743   5.5125   67.249   5.3860 -1.506660 7.706920 
1 1 1    6    4   34 o   58.775   3.3646  412.755   46.503  449.200   65.807  376.400   65.725   61.017   4.6011   55.698   5.0521 5.319008 6.833318 
1 1 1    6    4   35 o   67.861   3.8792  553.052   61.904  564.200   87.536  541.900   87.555   67.974   5.5007   66.559   5.6233 1.414391 7.866368 
1 1 1    6    4   36 o   59.426   3.4215  423.509   47.810  458.000   67.653  389.100   67.573   61.394   4.7024   56.406   5.1292 4.987427 6.958544 
1 1 1    6    4   37 o   83.065   4.5817  837.665   89.521  922.600  126.703  753.000  126.502   86.176   6.2694   77.339   7.0028 8.837685 9.399163 
1 1 1    6    4   38 o   34.346   2.2096  140.768   17.826  163.700   25.255  118.000   25.164   36.911   2.9214   31.176   3.4775 5.735586 4.541749 
1 1 1    6    4   39 o   93.176   7.9192  1130.30  172.588  1130.30  172.588   0.0000   0.0000   93.176   7.9192  ?   ?  0.000000 7.919152 
1 1 1    6    4   40 o   26.899   2.9132   87.700   18.209   87.700   18.209   0.0000   0.0000   26.899   2.9132  ?   ?  0.000000 2.913250 
1 1 1    6    4   41 o   23.064   2.7346   64.700   14.603   64.700   14.603   0.0000   0.0000   23.064   2.7346  ?   ?  0.000000 2.734551 
1 1 1    6    4   42 o   41.122   3.8161  209.200   36.633  209.200   36.633   0.0000   0.0000   41.122   3.8161  ?   ?  0.000000 3.816085 
1 1 1    6    4   43 o   35.655   3.4734  157.200   28.873  157.200   28.873   0.0000   0.0000   35.655   3.4734  ?   ?  0.000000 3.473376 
1 1 1    6    4   44 o   20.226   2.6402   50.300   12.309   50.300   12.309   0.0000   0.0000   20.226   2.6402  ?   ?  0.000000 2.640237 
1 1 1    6    4   45 f   24.433   2.8342   73.600   16.048   73.600   16.048   0.0000   0.0000   24.433   2.8342  ?   ?  0.000000 2.834153 
1 1 1    6    4   46 o   25.515   2.8959   80.500   17.139   80.500   17.139   0.0000   0.0000   25.515   2.8959  ?   ?  0.000000 2.895903 
1 1 1    6    4   47 o   16.799   2.5404   35.000   9.7627   35.000   9.7627   0.0000   0.0000   16.799   2.5404  ?   ?  0.000000 2.540437 
1 1 1    6    4   48 o   12.318   2.4484   19.100   6.8707   19.100   6.8707   0.0000   0.0000   12.318   2.4484  ?   ?  0.000000 2.448355 
1 1 1    6    4   49 o   26.873   3.0291   91.200   18.887   91.200   18.887   0.0000   0.0000   26.873   3.0291  ?   ?  0.000000 3.029101 
1 1 1    6    4   50 o   26.394   3.0488   88.900   18.652   88.900   18.652   0.0000   0.0000   26.394   3.0488  ?   ?  0.000000 3.048809 
1 1 1    6    4   51 o   17.517   2.6617   39.100   10.663   39.100   10.663   0.0000   0.0000   17.517   2.6617  ?   ?  0.000000 2.661670 
1 1 1    6    4   52 o  ?   ?   -4.8000   1.2527  -4.8000   1.2527   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    4   53 o   14.961   2.7113   29.100   9.2260   29.100   9.2260   0.0000   0.0000   14.961   2.7113  ?   ?  0.000000 2.711260 
1 1 1    6    4   54 o   28.289   3.3127  108.700   21.710  108.700   21.710   0.0000   0.0000   28.289   3.3127  ?   ?  0.000000 3.312714 
1 1 1    6    4   55 o   17.155   2.8619   40.400   11.185   40.400   11.185   0.0000   0.0000   17.155   2.8619  ?   ?  0.000000 2.861933 
1 1 1    6    4   56 o   8.5840   2.8252   10.400   6.6334   10.400   6.6334   0.0000   0.0000   8.5840   2.8252  ?   ?  0.000000 2.825207 
1 1 1    6    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5    0 o  146.273   11.352  2583.50  386.681  2583.50  386.681  2583.50  386.681  146.273   11.352  146.273   11.352 0.000000 0.000000 
1 1 1    6    5    1 o   80.262   4.4443  764.049   83.903  766.500  118.687  761.600  118.627   80.207   6.3177   79.947   6.3357 0.2599258 8.947279 
1 1 1    6    5    2 o   84.472   4.6570  846.352   92.534  852.000  130.838  840.700  130.889   84.561   6.6049   83.989   6.6541 0.5718155 9.375569 
1 1 1    6    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5    6 o  190.457   10.138  4316.78  454.286  4350.00  642.169  4283.50  642.746  190.438   14.386  188.941   14.517 1.496750 20.43809 
1 1 1    6    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5    8 o  152.270   7.9386  2752.54  284.456  2557.40  401.916  2948.40  402.647  146.270   11.735  157.242   10.912 -10.97177 16.02427 
1 1 1    6    5    9 o  351.965   27.242 15184.60  2246.46 15184.60  2246.46   0.0000   0.0000  351.965   27.242  ?   ?  0.000000 27.24166 
1 1 1    6    5   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   13 o  261.065   19.969  8263.60  1221.70  8263.60  1221.70   0.0000   0.0000  261.065   19.969  ?   ?  0.000000 19.96910 
1 1 1    6    5   14 o  101.623   5.5230  1225.11  132.037  1264.90  186.707  1185.30  186.750  103.037   7.7300   99.691   8.0005 3.346664 11.12483 
1 1 1    6    5   15 o  274.750   14.820  9070.21  957.946  9257.60  1352.72  8881.70  1356.77  275.221   20.972  269.307   21.515 5.913818 30.04537 
1 1 1    6    5   16 o  126.358   6.7963  1897.41  202.041  1872.00  285.795  1922.80  285.663  125.077   9.7535  126.796   9.6123 -1.719025 13.69411 
1 1 1    6    5   17 o  152.162   8.2720  2758.66  296.104  2846.90  418.033  2669.80  419.479  153.924   11.586  148.930   12.031 4.994003 16.70255 
1 1 1    6    5   18 o  233.512   12.904  6569.92  708.768  7643.00  1001.83  5494.60  1002.87  250.087   17.066  210.274   20.456 39.81261 26.64071 
1 1 1    6    5   19 o  163.923   8.7777  3211.05  338.536  3199.70  477.715  3222.50  479.815  162.626   12.537  163.205   12.546 -0.5790100 17.73635 
1 1 1    6    5   20 o   40.818   2.6042  197.688   24.970  209.600   35.257  185.700   35.369   41.944   3.5944   39.433   3.8474 2.510868 5.265223 
1 1 1    6    5   21 o  210.461   11.000  5335.25  544.767  5985.30  771.666  4689.40  769.175  221.182   14.861  194.654   16.902 26.52744 22.50591 
1 1 1    6    5   22 o   64.218   3.5993  489.442   54.361  469.900   76.668  509.200   77.090   62.736   5.2227   65.348   5.0346 -2.612125 7.254223 
1 1 1    6    5   23 o  139.574   7.4243  2327.97  243.812  2266.20  344.035  2390.30  345.574  136.813   10.735  140.610   10.483 -3.797043 15.00481 
1 1 1    6    5   24 o  199.941   11.036  4836.18  519.011  5122.60  733.059  4548.30  734.930  203.544   15.365  191.108   16.446 12.43506 22.50659 
1 1 1    6    5   25 f  120.732   6.5941  1739.96  187.281  1786.90  264.536  1692.80  265.178  121.715   9.2738  118.367   9.5692 3.347404 13.32565 
1 1 1    6    5   26 f  136.648   7.4639  2235.78  239.930  2297.60  338.816  2173.60  339.811  137.603   10.507  133.695   10.857 3.907883 15.10882 
1 1 1    6    5   27 o  134.369   7.1273  2161.35  225.335  2065.60  318.005  2257.90  319.344  130.337   10.420  136.463   9.9794 -6.126129 14.42761 
1 1 1    6    5   28 o   64.531   3.6661  494.891   55.634  447.800   78.671  542.000   78.686   61.111   5.5110   67.365   4.9819 -6.253273 7.428992 
1 1 1    6    5   29 o  120.369   6.5401  1736.70  185.193  1755.30  261.873  1718.10  261.933  120.103   9.3064  118.775   9.4162 1.327477 13.23909 
1 1 1    6    5   30 o   11.427   1.5533   15.714   4.0828   17.000   5.8588   14.500   5.6926   11.803   2.1825   10.868   2.2904 0.9345112 3.163774 
1 1 1    6    5   31 o   54.732   3.2067  356.448   41.263  344.000   58.350  368.900   58.361   53.530   4.6627   55.479   4.4934 -1.948814 6.475440 
1 1 1    6    5   32 o   66.214   3.7451  523.175   58.316  560.900   82.499  485.500   82.445   68.253   5.1568   63.368   5.5661 4.884655 7.587790 
1 1 1    6    5   33 o   87.877   4.8769  928.835  100.804  903.000  142.517  954.700  142.600   85.769   7.1006   88.300   6.8937 -2.531288 9.896542 
1 1 1    6    5   34 o   82.727   4.6263  824.145   90.012  882.000  127.301  766.300  127.290   84.847   6.4009   78.819   6.9089 6.028412 9.418272 
1 1 1    6    5   35 o   27.876   2.0103   92.576   13.144   99.700   18.620   85.500   18.557   28.824   2.7698   26.631   3.0034 2.192543 4.085599 
1 1 1    6    5   36 o   49.980   2.9611  298.759   34.791  330.700   49.234  266.900   49.171   52.321   4.0156   46.831   4.5019 5.490498 6.032574 
1 1 1    6    5   37 o   25.309   1.9010   76.385   11.278   82.600   16.035   70.300   15.866   26.212   2.6260   24.121   2.8399 2.090631 3.867980 
1 1 1    6    5   38 o   28.293   2.0360   95.528   13.511  101.900   19.141   89.200   19.076   29.088   2.8222   27.155   3.0263 1.932621 4.138031 
1 1 1    6    5   39 o   42.178   2.6001  213.061   25.770  239.300   36.472  186.900   36.418   44.461   3.5023   39.107   3.9999 5.354023 5.316517 
1 1 1    6    5   40 o   32.762   2.2079  128.439   16.982  158.200   24.041   98.800   23.991   36.230   2.8326   28.358   3.6687 7.872179 4.634995 
1 1 1    6    5   41 o   69.420   4.1866  593.693   68.308  629.200   96.276  557.700   96.931   70.098   5.8704   65.553   6.3412 4.544724 8.641355 
1 1 1    6    5   42 o   13.309   2.4367   21.900   7.3757   21.900   7.3757   0.0000   0.0000   13.309   2.4367  ?   ?  0.000000 2.436702 
1 1 1    6    5   43 o   30.490   3.1581  114.400   22.408  114.400   22.408   0.0000   0.0000   30.490   3.1581  ?   ?  0.000000 3.158052 
1 1 1    6    5   44 o   7.5535   2.1907   7.0000   4.1357   7.0000   4.1357   0.0000   0.0000   7.5535   2.1907  ?   ?  0.000000 2.190707 
1 1 1    6    5   45 o   25.708   2.9155   81.600   17.386   81.600   17.386   0.0000   0.0000   25.708   2.9155  ?   ?  0.000000 2.915486 
1 1 1    6    5   46 o   47.124   4.3591  285.200   47.957  285.200   47.957   0.0000   0.0000   47.124   4.3591  ?   ?  0.000000 4.359079 
1 1 1    6    5   47 o   23.772   2.8443   70.100   15.649   70.100   15.649   0.0000   0.0000   23.772   2.8443  ?   ?  0.000000 2.844280 
1 1 1    6    5   48 o   23.144   2.7930   66.800   14.955   66.800   14.955   0.0000   0.0000   23.144   2.7930  ?   ?  0.000000 2.792986 
1 1 1    6    5   49 o   13.336   2.5231   22.500   7.6545   22.500   7.6545   0.0000   0.0000   13.336   2.5231  ?   ?  0.000000 2.523087 
1 1 1    6    5   50 o   9.6050   2.4058   11.800   5.4449   11.800   5.4449   0.0000   0.0000   9.6050   2.4058  ?   ?  0.000000 2.405817 
1 1 1    6    5   51 o   18.554   2.6643   43.800   11.338   43.800   11.338   0.0000   0.0000   18.554   2.6643  ?   ?  0.000000 2.664309 
1 1 1    6    5   52 o   25.599   3.0127   84.600   17.863   84.600   17.863   0.0000   0.0000   25.599   3.0127  ?   ?  0.000000 3.012716 
1 1 1    6    5   53 o   7.9466   2.4328   8.0000   4.9930   8.0000   4.9930   0.0000   0.0000   7.9466   2.4328  ?   ?  0.000000 2.432771 
1 1 1    6    5   54 o   11.532   2.6179   17.700   6.9659   17.700   6.9659   0.0000   0.0000   11.532   2.6179  ?   ?  0.000000 2.617859 
1 1 1    6    5   55 o   18.270   2.8538   45.800   11.909   45.800   11.909   0.0000   0.0000   18.270   2.8538  ?   ?  0.000000 2.853820 
1 1 1    6    5   56 o   3.2292   1.5602  -5.2000   3.6031  -5.2000   3.6031   0.0000   0.0000   3.2292   1.5602  ?   ?  0.000000 1.560151 
1 1 1    6    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6    0 o  100.183   7.9050  1209.30  184.331  1209.30  184.331  1209.30  184.331  100.183   7.9050  100.183   7.9050 0.000000 0.000000 
1 1 1    6    6    1 o  230.978   12.294  6376.50  668.137  6443.90  944.915  6309.10  944.862  230.788   17.468  228.285   17.665 2.503387 24.84351 
1 1 1    6    6    2 o  153.193   8.1915  2789.97  295.249  2709.60  417.591  2870.30  417.500  150.395   11.855  154.882   11.498 -4.486389 16.51442 
1 1 1    6    6    3 o  184.890   9.7886  4069.36  425.840  3896.60  601.990  4242.40  602.467  180.077   14.274  188.076   13.659 -7.999680 19.75612 
1 1 1    6    6    4 o   96.194   5.2031  1097.28  117.748  1148.70  166.628  1046.00  166.413   98.236   7.2341   93.676   7.5883 4.559631 10.48400 
1 1 1    6    6    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6    7 o  218.214   11.609  5671.07  596.021  6151.50  842.844  5190.50  842.959  226.473   15.861  207.607   17.354 18.86630 23.51006 
1 1 1    6    6    8 o   44.175   2.7213  231.356   28.249  236.000   39.925  226.700   39.974   44.530   3.8344   43.628   3.9221 0.9014664 5.484967 
1 1 1    6    6    9 o  201.917   10.768  4852.20  511.583  5063.10  723.313  4641.10  723.661  205.517   15.008  196.572   15.722 8.945084 21.73523 
1 1 1    6    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6   11 o  173.578   9.1513  3581.57  373.768  3499.10  527.698  3664.60  529.482  170.939   13.175  175.006   12.904 -4.067505 18.44123 
1 1 1    6    6   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6   13 o  233.631   12.589  6519.73  691.972  6719.50  977.304  6318.90  979.894  235.893   17.673  228.527   18.312 7.366562 25.44973 
1 1 1    6    6   14 f  178.501   9.5164  3793.67  399.672  3846.70  565.105  3740.60  565.338  179.005   13.468  176.460   13.674 2.544968 19.19293 
1 1 1    6    6   15 o  231.940   12.373  6439.53  675.227  6489.90  954.604  6389.10  955.228  231.246   17.614  229.377   17.775 1.869049 25.02395 
1 1 1    6    6   16 o  198.987   10.650  4732.33  498.612  4979.90  705.034  4484.60  705.254  203.013   14.809  192.335   15.664 10.67819 21.55653 
1 1 1    6    6   17 o  251.468   13.727  7622.04  812.008  7941.50  1146.77  7300.80  1149.95  254.235   19.245  243.224   20.205 11.01096 27.90331 
1 1 1    6    6   18 o  321.030   18.022 12640.25  1360.66 15099.60  1923.44 10176.70  1925.08  346.394   23.657  279.213   29.652 67.18161 37.93228 
1 1 1    6    6   19 o  152.811   8.1811  2787.99  294.136  2809.10  416.061  2766.90  415.882  152.531   11.639  151.349   11.728 1.181885 16.52349 
1 1 1    6    6   20 o  135.920   7.2977  2203.34  233.367  2215.50  330.148  2191.20  329.914  135.603   10.389  134.839   10.443 0.7640839 14.73081 
1 1 1    6    6   21 o   81.687   4.5263  792.658   86.968  789.500  123.144  795.800  122.840   81.266   6.4708   81.598   6.4273 -0.3322906 9.120366 
1 1 1    6    6   22 o   79.630   4.4459  753.376   83.265  718.900  117.799  787.800  117.709   77.500   6.4968   81.202   6.1852 -3.702484 8.970302 
1 1 1    6    6   23 o  194.022   10.318  4537.92  471.006  4801.10  666.336  4275.10  665.870  197.708   14.371  186.033   15.293 11.67580 20.98594 
1 1 1    6    6   24 o   60.452   3.5050  433.874   49.818  421.600   70.522  446.100   70.385   59.405   5.0761   61.140   4.9168 -1.735485 7.066953 
1 1 1    6    6   25 o  223.355   12.098  6069.20  635.716  5719.90  899.042  6418.50  899.034  213.025   18.042  226.573   16.926 -13.54826 24.73876 
1 1 1    6    6   26 o  113.307   6.1628  1532.07  164.271  1501.90  232.397  1562.20  232.232  111.544   8.8971  113.827   8.7061 -2.282471 12.44809 
1 1 1    6    6   27 o  205.956   11.168  5160.90  541.104  4984.40  765.232  5337.40  765.240  199.020   16.430  206.443   15.818 -7.423096 22.80687 
1 1 1    6    6   28 o  139.528   7.3590  2336.66  241.604  2058.80  341.472  2615.20  341.887  129.513   11.278  146.675   9.9296 -17.16187 15.02639 
1 1 1    6    6   29 o  141.509   7.4624  2410.15  248.476  2192.90  351.118  2628.10  351.681  133.350   11.256  146.589   10.224 -13.23898 15.20584 
1 1 1    6    6   30 o   40.151   2.5348  191.546   23.910  196.600   33.828  186.500   33.800   40.557   3.5686   39.479   3.6675 1.077511 5.117167 
1 1 1    6    6   31 o   51.553   3.0562  316.197   37.038  306.900   52.371  325.500   52.390   50.572   4.4301   52.118   4.2952 -1.545101 6.170481 
1 1 1    6    6   32 o   33.839   2.3089  136.225   18.339  125.000   25.964  147.400   25.907   32.248   3.4640   35.095   3.1600 -2.847473 4.688828 
1 1 1    6    6   33 o  101.702   5.5406  1250.43  132.558  1396.30  187.542  1104.80  187.389  106.472   7.5075   94.083   8.5274 12.38865 11.36126 
1 1 1    6    6   34 o   32.995   2.2252  129.637   17.236  137.700   24.395  121.600   24.355   33.883   3.0827   31.786   3.2926 2.096846 4.510431 
1 1 1    6    6   35 o   89.014   5.0035  961.418  104.744  992.900  148.087  929.900  148.174   89.280   7.0824   86.214   7.3485 3.065613 10.20594 
1 1 1    6    6   36 o   26.331   1.8890   82.598   11.667   94.300   16.572   71.100   16.427   28.050   2.5292   24.254   2.9274 3.796247 3.868684 
1 1 1    6    6   37 f   90.990   5.0718  1011.57  108.539  1086.60  153.576  936.700  153.418   92.884   7.0547   85.733   7.6589 7.151276 10.41284 
1 1 1    6    6   38 o   21.128   1.7310   53.275   8.5604   61.400   12.163   45.300   12.050   22.606   2.3111   19.306   2.7186 3.300087 3.568176 
1 1 1    6    6   39 o   32.710   2.1158  127.753   16.254  146.900   23.077  108.900   22.899   34.941   2.8210   29.939   3.2935 5.001671 4.336446 
1 1 1    6    6   40 o   21.291   1.8243   54.250   9.0833   54.300   12.884   54.200   12.808   21.148   2.6374   21.131   2.6232 0.1656914E-01 3.719823 
1 1 1    6    6   41 o   16.008   1.6700   30.780   6.2197   42.200   8.8234   19.500   8.7689   18.708   2.0299   12.475   3.0112 6.233259 3.631482 
1 1 1    6    6   42 o   18.880   1.7898   42.850   7.8844   54.800   11.150   30.900   11.150   21.273   2.2540   15.700   3.1176 5.573602 3.847056 
1 1 1    6    6   43 o   19.604   1.8549   46.286   8.4847   52.700   11.920   39.700   12.080   20.779   2.4783   17.861   2.9683 2.918020 3.866922 
1 1 1    6    6   44 o   48.276   4.4100  297.100   49.718  297.100   49.718   0.0000   0.0000   48.276   4.4100  ?   ?  0.000000 4.409974 
1 1 1    6    6   45 o   48.605   4.4606  303.100   50.625  303.100   50.625   0.0000   0.0000   48.605   4.4606  ?   ?  0.000000 4.460559 
1 1 1    6    6   46 o   32.971   3.3473  135.700   25.700  135.700   25.700   0.0000   0.0000   32.971   3.3473  ?   ?  0.000000 3.347295 
1 1 1    6    6   47 o   6.4464   2.1293   4.8000   3.7668   4.8000   3.7668   0.0000   0.0000   6.4464   2.1293  ?   ?  0.000000 2.129318 
1 1 1    6    6   48 o   26.786   2.9915   89.900   18.598   89.900   18.598   0.0000   0.0000   26.786   2.9915  ?   ?  0.000000 2.991471 
1 1 1    6    6   49 o   10.074   2.3810   12.900   5.5744   12.900   5.5744   0.0000   0.0000   10.074   2.3810  ?   ?  0.000000 2.380958 
1 1 1    6    6   50 o  ?   ?   -3.3000   0.6748  -3.3000   0.6748   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6    6   51 o   14.423   2.5750   26.600   8.4482   26.600   8.4482   0.0000   0.0000   14.423   2.5750  ?   ?  0.000000 2.575042 
1 1 1    6    6   52 o   4.1902   1.7403   0.6000   2.8347   0.6000   2.8347   0.0000   0.0000   4.1902   1.7403  ?   ?  0.000000 1.740314 
1 1 1    6    6   53 o   3.5617   1.5134   0.1000   2.2208   0.1000   2.2208   0.0000   0.0000   3.5617   1.5134  ?   ?  0.000000 1.513441 
1 1 1    6    6   54 o   24.805   3.0454   82.600   17.463   82.600   17.463   0.0000   0.0000   24.805   3.0454  ?   ?  0.000000 3.045380 
1 1 1    6    6   55 o   9.3568   2.7021   12.100   6.3040   12.100   6.3040   0.0000   0.0000   9.3568   2.7021  ?   ?  0.000000 2.702091 
1 1 1    6    6   56 o   23.199   3.3499   80.600   17.820   80.600   17.820   0.0000   0.0000   23.199   3.3499  ?   ?  0.000000 3.349945 
1 1 1    6    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    2 o  127.785   6.5968  1937.35  198.376  1643.90  280.284  2231.90  280.809  117.244   10.226  136.948   8.7290 -19.70349 13.44510 
1 1 1    6    7    3 o  226.330   11.946  6107.01  636.177  6455.70  899.995  5758.80  899.386  231.711   16.558  218.526   17.578 13.18536 24.14842 
1 1 1    6    7    4 o  142.202   7.6032  2400.75  254.384  2393.70  359.734  2407.80  359.773  141.590   10.842  142.013   10.810 -0.4232330 15.30987 
1 1 1    6    7    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    6 o  195.484   10.390  4545.76  477.900  4367.20  675.867  4724.30  675.838  190.794   15.125  198.607   14.511 -7.812958 20.96075 
1 1 1    6    7    7 o  225.796   11.695  6071.36  621.433  6702.80  879.426  5441.60  878.252  236.464   15.841  212.542   17.659 23.92203 23.72303 
1 1 1    6    7    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7    9 o   72.975   4.0177  631.129   68.966  578.900   97.467  683.500   97.599   69.710   5.9790   75.836   5.4872 -6.126175 8.115277 
1 1 1    6    7   10 o  171.836   9.2251  3510.40  372.954  3569.60  526.573  3450.80  528.305  172.703   13.008  169.739   13.287 2.964264 18.59402 
1 1 1    6    7   11 o  187.608   10.100  4188.85  445.792  4308.50  629.538  4068.50  631.356  189.560   14.167  184.077   14.646 5.483170 20.37634 
1 1 1    6    7   12 o  359.610   28.024 15996.00  2360.89 15996.00  2360.89   0.0000   0.0000  359.610   28.024  ?   ?  0.000000 28.02356 
1 1 1    6    7   13 o  434.986   34.811 24045.30  3545.64 24045.30  3545.64   0.0000   0.0000  434.986   34.811  ?   ?  0.000000 34.81058 
1 1 1    6    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7   15 o  398.241   32.253 20335.20  3006.95 20335.20  3006.95   0.0000   0.0000  398.241   32.253  ?   ?  0.000000 32.25262 
1 1 1    6    7   16 o   55.927   3.2430  370.887   42.645  362.000   60.264  379.800   60.354   55.122   4.6740   56.481   4.5642 -1.359623 6.532868 
1 1 1    6    7   17 o   38.044   2.4450  171.698   21.849  170.000   30.880  173.400   30.918   37.760   3.5031   38.143   3.4707 -0.3822479 4.931280 
1 1 1    6    7   18 o   48.611   2.9032  280.268   33.174  275.400   46.762  285.200   47.068   48.069   4.1608   48.928   4.1120 -0.8591003 5.849816 
1 1 1    6    7   19 o  190.656   10.238  4362.39  459.241  4317.40  649.754  4407.30  649.177  188.046   14.751  190.078   14.574 -2.032471 20.73651 
1 1 1    6    7   20 o  177.331   9.6009  3771.52  400.531  3558.50  566.666  3984.20  566.208  170.665   14.190  180.988   13.342 -10.32271 19.47746 
1 1 1    6    7   21 f  126.573   6.6976  1909.89  199.468  2044.00  282.257  1776.10  281.924  130.406   9.2257  121.342   9.9261 9.063942 13.55142 
1 1 1    6    7   22 o  277.584   14.779  9449.57  965.262 10424.30  1365.64  8476.40  1364.54  286.963   20.284  256.420   22.773 30.54337 30.49654 
1 1 1    6    7   23 o  178.660   9.6066  3839.60  403.796  3772.60  571.060  3906.60  571.049  175.335   13.907  178.561   13.647 -3.226364 19.48410 
1 1 1    6    7   24 o  100.939   5.4956  1213.10  130.496  1215.60  184.594  1210.60  184.505  100.614   7.8312  100.403   7.8444 0.2110443 11.08437 
1 1 1    6    7   25 o  228.990   12.432  6392.42  669.715  6037.40  947.139  6747.40  947.100  218.379   18.542  231.825   17.429 -13.44653 25.44755 
1 1 1    6    7   26 o   78.298   4.2870  728.789   78.962  770.300  111.751  687.400  111.587   80.259   5.9387   75.731   6.2970 4.528130 8.655663 
1 1 1    6    7   27 o  102.365   5.5715  1249.59  134.167  1219.00  189.697  1280.20  189.786  100.558   8.0565  103.118   7.8532 -2.560188 11.25076 
1 1 1    6    7   28 o   82.178   4.5354  804.083   87.670  779.400  123.940  828.800  124.027   80.530   6.5751   83.103   6.3688 -2.572655 9.153850 
1 1 1    6    7   29 o   91.241   4.9333  993.243  105.895  887.000  149.682  1099.70  149.833   85.617   7.4788   95.618   6.6779 -10.00140 10.02628 
1 1 1    6    7   30 o   79.491   4.4286  753.994   82.799  664.100  117.091  843.900  117.099   74.052   6.7710   83.768   5.9588 -9.715157 9.019643 
1 1 1    6    7   31 o   20.569   1.8320   50.426   8.8052   45.600   12.487   55.200   12.418   19.418   2.8044   21.447   2.4990 -2.028545 3.756300 
1 1 1    6    7   32 o  101.877   5.5736  1251.33  133.575  1191.90  188.800  1310.90  189.008   98.240   8.2140  103.271   7.8084 -5.030663 11.33315 
1 1 1    6    7   33 o   15.445   1.6314   28.532   5.8599   30.800   8.3209   26.300   8.2537   15.964   2.2714   14.696   2.4658 1.267931 3.352530 
1 1 1    6    7   34 o   51.688   3.0627  319.038   37.214  307.400   52.602  330.700   52.656   50.413   4.4650   52.347   4.2978 -1.934109 6.197337 
1 1 1    6    7   35 f   49.829   2.9575  296.766   34.644  325.500   49.022  268.100   48.965   51.932   4.0291   46.981   4.4675 4.951725 6.015948 
1 1 1    6    7   36 o   23.078   1.7531   63.459   9.4822   75.500   13.490   51.700   13.331   25.109   2.3007   20.650   2.8067 4.459372 3.629147 
1 1 1    6    7   37 o   39.867   2.4897  189.840   23.320  206.500   33.039  173.300   32.921   41.383   3.4114   37.805   3.7366 3.577991 5.059623 
1 1 1    6    7   38 o   96.906   5.4585  1158.62  124.399  1256.10  175.957  1061.20  175.897   98.974   7.5865   90.186   8.3544 8.788170 11.28499 
1 1 1    6    7   39 o   44.757   2.7237  240.253   28.650  256.700   40.575  223.900   40.459   45.949   3.7729   42.797   4.0517 3.151783 5.536341 
1 1 1    6    7   40 o   99.790   5.5991  1252.70  131.404  1430.10  185.938  1075.70  185.730  103.980   7.6260   88.258   9.0394 15.72241 11.82645 
1 1 1    6    7   41 o   70.566   4.2916  616.332   71.173  682.100  100.440  550.000  100.869   72.802   5.8931   64.553   6.7156 8.248871 8.934687 
1 1 1    6    7   42 o   18.932   1.7988   43.095   7.9450   42.700   11.168   43.500   11.305   18.662   2.6054   18.837   2.6117 -0.1755486 3.689104 
1 1 1    6    7   43 o   20.645   1.8273   51.274   8.8159   56.700   12.497   45.900   12.438   21.552   2.5023   19.274   2.8159 2.277369 3.767071 
1 1 1    6    7   44 o   20.806   1.8804   52.204   9.1387   60.200   12.881   44.100   12.968   22.186   2.5024   18.789   3.0255 3.397326 3.926291 
1 1 1    6    7   45 o   12.957   1.7114   20.391   5.1080   24.500   7.1887   16.200   7.2594   14.101   2.2333   11.323   2.7437 2.777968 3.537764 
1 1 1    6    7   46 o   56.224   5.1574  418.800   67.709  418.800   67.709   0.0000   0.0000   56.224   5.1574  ?   ?  0.000000 5.157421 
1 1 1    6    7   47 o   27.643   3.0249   95.200   19.422   95.200   19.422   0.0000   0.0000   27.643   3.0249  ?   ?  0.000000 3.024862 
1 1 1    6    7   48 o   31.025   3.2560  121.600   23.498  121.600   23.498   0.0000   0.0000   31.025   3.2560  ?   ?  0.000000 3.256016 
1 1 1    6    7   49 o   23.428   2.8792   69.200   15.593   69.200   15.593   0.0000   0.0000   23.428   2.8792  ?   ?  0.000000 2.879157 
1 1 1    6    7   50 o   20.211   2.6976   51.700   12.553   51.700   12.553   0.0000   0.0000   20.211   2.6976  ?   ?  0.000000 2.697593 
1 1 1    6    7   51 o   4.8212   1.8816   1.8000   3.0958   1.8000   3.0958   0.0000   0.0000   4.8212   1.8816  ?   ?  0.000000 1.881639 
1 1 1    6    7   52 o   17.523   2.6372   39.300   10.574   39.300   10.574   0.0000   0.0000   17.523   2.6372  ?   ?  0.000000 2.637212 
1 1 1    6    7   53 o   26.120   3.0931   89.800   18.707   89.800   18.707   0.0000   0.0000   26.120   3.0931  ?   ?  0.000000 3.093055 
1 1 1    6    7   54 o   23.601   2.9958   74.900   16.320   74.900   16.320   0.0000   0.0000   23.601   2.9958  ?   ?  0.000000 2.995845 
1 1 1    6    7   55 o   25.692   3.2632   94.300   19.351   94.300   19.351   0.0000   0.0000   25.692   3.2632  ?   ?  0.000000 3.263160 
1 1 1    6    7   56 o   8.2227   2.8809   9.4000   6.9087   9.4000   6.9087   0.0000   0.0000   8.2227   2.8809  ?   ?  0.000000 2.880930 
1 1 1    6    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    7   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    2 o  146.175   7.8072  2536.90  268.508  2546.90  379.782  2526.90  379.673  146.051   11.095  145.467   11.138 0.5840759 15.72086 
1 1 1    6    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    5 o  279.836   13.639  9320.06  901.272  7387.10  1273.00 11262.70  1276.19  246.620   22.094  306.291   17.721 -59.67188 28.32219 
1 1 1    6    8    6 o  260.231   13.687  8082.61  838.125  8577.20  1185.82  7588.90  1184.76  266.810   18.945  250.540   20.197 16.27057 27.69178 
1 1 1    6    8    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8    8 o  366.827   28.440 16562.90  2444.29 16562.90  2444.29   0.0000   0.0000  366.827   28.440  ?   ?  0.000000 28.44046 
1 1 1    6    8    9 f  360.136   19.152 15621.20  1622.83 16536.70  2296.60 14708.20  2293.46  367.233   26.666  345.386   28.371 21.84665 38.93569 
1 1 1    6    8   10 o  410.732   32.380 21061.70  3115.03 21061.70  3115.03   0.0000   0.0000  410.732   32.380  ?   ?  0.000000 32.38010 
1 1 1    6    8   11 o  153.816   8.1031  2810.77  293.279  2734.20  413.874  2888.00  415.648  151.192   11.683  155.458   11.402 -4.265457 16.32505 
1 1 1    6    8   12 o  331.422   17.680 13234.18  1378.65 13146.30  1946.22 13322.70  1953.21  326.866   25.415  329.108   25.328 -2.241913 35.88059 
1 1 1    6    8   13 o  450.890   36.660 26175.30  3869.45 26175.30  3869.45   0.0000   0.0000  450.890   36.660  ?   ?  0.000000 36.66006 
1 1 1    6    8   14 o  295.266   15.875 10511.65  1102.80 11333.50  1559.41  9689.40  1559.78  303.843   21.881  279.828   23.832 24.01456 32.35361 
1 1 1    6    8   15 o  114.618   6.2232  1560.65  167.802  1701.80  237.264  1419.40  237.352  119.405   8.4698  108.860   9.3234 10.54574 12.59616 
1 1 1    6    8   16 o  348.716   27.996 15499.50  2285.84 15499.50  2285.84   0.0000   0.0000  348.716   27.996  ?   ?  0.000000 27.99556 
1 1 1    6    8   17 o   77.079   4.3126  705.078   78.180  748.800  110.528  661.300  110.598   79.264   5.9486   74.409   6.3555 4.855583 8.705048 
1 1 1    6    8   18 o  158.164   8.5049  2988.24  316.476  3001.70  446.902  2974.70  448.230  157.594   12.102  156.850   12.198 0.7434387 17.18240 
1 1 1    6    8   19 o  135.583   7.2764  2192.01  232.109  2230.80  328.429  2153.30  328.075  136.117   10.294  133.671   10.478 2.445938 14.68842 
1 1 1    6    8   20 o   65.301   3.7118  506.102   56.999  509.900   80.588  502.300   80.630   65.376   5.2648   64.878   5.3096 0.4979019 7.477287 
1 1 1    6    8   21 o  120.138   6.4989  1720.41  183.683  1649.80  259.792  1791.00  259.742  117.010   9.4840  122.046   9.0777 -5.035263 13.12828 
1 1 1    6    8   22 o   91.946   5.0480  1005.41  109.181  992.700  154.469  1018.10  154.340   91.012   7.2476   92.195   7.1452 -1.182907 10.17750 
1 1 1    6    8   23 o  121.408   6.5715  1758.57  187.697  1703.10  265.480  1814.00  265.406  118.788   9.5451  122.703   9.2275 -3.914680 13.27612 
1 1 1    6    8   24 f  136.664   7.2813  2232.74  234.128  2358.20  331.251  2107.50  330.963  139.677   10.112  131.810   10.726 7.867050 14.74107 
1 1 1    6    8   25 o   17.225   1.6379   35.365   6.5817   39.100   9.3522   31.700   9.2642   18.051   2.2424   16.186   2.5047 1.864336 3.361860 
1 1 1    6    8   26 o   20.110   1.8007   48.163   8.4605   46.500   12.013   49.800   11.918   19.653   2.6567   20.367   2.5327 -0.7144241 3.670446 
1 1 1    6    8   27 o  185.926   9.8901  4188.35  432.652  3925.60  611.461  4451.80  612.266  177.251   14.743  189.467   13.779 -12.21597 20.17962 
1 1 1    6    8   28 o  108.395   5.8443  1404.27  149.038  1327.30  210.668  1481.40  210.876  104.631   8.6028  110.727   8.1218 -6.096291 11.83096 
1 1 1    6    8   29 o  173.884   9.2673  3680.79  379.143  3395.20  535.806  3967.20  536.574  163.877   13.980  178.119   12.843 -14.24194 18.98390 
1 1 1    6    8   30 o   93.925   5.2055  1056.19  115.001  961.400  162.674  1150.90  162.597   88.813   7.8371   97.488   7.1123 -8.674278 10.58321 
1 1 1    6    8   31 o   82.312   4.5809  810.795   88.686  800.900  125.389  820.700  125.453   81.229   6.5941   82.261   6.5117 -1.031952 9.267342 
1 1 1    6    8   32 o   90.511   4.9753  984.888  105.929  931.200  149.720  1038.70  149.893   87.085   7.3494   92.194   6.9360 -5.108521 10.10555 
1 1 1    6    8   33 o   64.937   3.7108  504.588   56.665  516.600   80.177  492.600   80.097   65.281   5.2454   63.696   5.3755 1.585552 7.510697 
1 1 1    6    8   34 o   47.652   2.8899  271.049   32.364  274.600   45.776  267.500   45.763   47.703   4.1037   47.064   4.1607 0.6394920 5.843968 
1 1 1    6    8   35 o   47.617   2.8620  270.919   32.032  291.900   45.333  250.000   45.267   49.180   3.9366   45.400   4.2727 3.780113 5.809680 
1 1 1    6    8   36 o   74.701   4.2198  674.470   74.131  721.800  104.870  627.200  104.804   76.486   5.8508   71.018   6.3155 5.468353 8.609090 
1 1 1    6    8   37 o  127.612   7.3022  2061.36  219.127  2211.50  309.883  1911.20  309.903  127.991   10.341  117.546   11.304 10.44446 15.32100 
1 1 1    6    8   38 o   89.677   4.7768  983.675  100.789  1158.30  142.712  809.900  142.364   96.104   6.3240   79.171   7.7129 16.93225 9.974072 
1 1 1    6    8   39 o   45.606   2.7918  249.680   29.920  270.700   42.334  228.700   42.294   47.158   3.8348   43.190   4.2001 3.968685 5.687444 
1 1 1    6    8   40 o   36.103   2.3736  156.337   20.122  162.600   28.487  150.100   28.427   36.549   3.3376   35.058   3.4798 1.490421 4.821672 
1 1 1    6    8   41 o   31.640   2.1389  120.085   15.886  134.700   22.517  105.600   22.417   33.310   2.8914   29.339   3.2925 3.970226 4.381834 
1 1 1    6    8   42 o   12.030   1.6933   17.565   4.6772   16.300   6.5264   18.900   6.7063   11.429   2.4887   12.345   2.3868 -0.9162350 3.448295 
1 1 1    6    8   43 o   27.348   2.1061   90.176   13.497   95.500   18.954   84.700   19.223   27.890   2.9213   26.157   3.1775 1.733521 4.316325 
1 1 1    6    8   44 o   7.9357   1.8513   7.8303   3.4057   15.000   4.7283   0.1000   4.9097   11.049   1.8795   5.2768   2.2464 5.772557 2.928989 
1 1 1    6    8   45 o   28.386   2.1673   97.501   14.418  112.700   20.323   82.100   20.457   30.262   2.8786   25.542   3.4826 4.719801 4.518273 
1 1 1    6    8   46 f   18.987   2.6208   44.600   11.437   44.600   11.437   0.0000   0.0000   18.987   2.6208  ?   ?  0.000000 2.620781 
1 1 1    6    8   47 o   10.936   1.7268   14.664   4.3111   18.600   6.0487   10.600   6.1461   12.237   2.1730   9.2061   2.6708 3.030457 3.443088 
1 1 1    6    8   48 o   29.642   3.1682  110.900   21.833  110.900   21.833   0.0000   0.0000   29.642   3.1682  ?   ?  0.000000 3.168231 
1 1 1    6    8   49 o   35.288   3.5913  161.100   29.509  161.100   29.509   0.0000   0.0000   35.288   3.5913  ?   ?  0.000000 3.591324 
1 1 1    6    8   50 o   25.521   2.9848   83.200   17.648   83.200   17.648   0.0000   0.0000   25.521   2.9848  ?   ?  0.000000 2.984819 
1 1 1    6    8   51 o   18.247   2.6533   42.400   11.098   42.400   11.098   0.0000   0.0000   18.247   2.6533  ?   ?  0.000000 2.653268 
1 1 1    6    8   52 o   3.5995   1.5378   0.0000   2.3156   0.0000   2.3156   0.0000   0.0000   3.5995   1.5378  ?   ?  0.000000 1.537812 
1 1 1    6    8   53 o   16.238   2.6240   34.200   9.7180   34.200   9.7180   0.0000   0.0000   16.238   2.6240  ?   ?  0.000000 2.623980 
1 1 1    6    8   54 o   21.461   2.9007   61.900   14.323   61.900   14.323   0.0000   0.0000   21.461   2.9007  ?   ?  0.000000 2.900663 
1 1 1    6    8   55 o   7.1488   2.4053   6.6000   4.8022   6.6000   4.8022   0.0000   0.0000   7.1488   2.4053  ?   ?  0.000000 2.405260 
1 1 1    6    8   56 o   11.173   2.7579   18.000   7.2326   18.000   7.2326   0.0000   0.0000   11.173   2.7579  ?   ?  0.000000 2.757941 
1 1 1    6    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    8   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9    0 o  127.497   9.9247  1957.90  294.635  1957.90  294.635  1957.90  294.635  127.497   9.9247  127.497   9.9247 0.000000 0.000000 
1 1 1    6    9    1 o   39.887   2.5162  188.641   23.578  202.500   33.355  174.800   33.333   41.259   3.4554   38.284   3.7347 2.974728 5.088005 
1 1 1    6    9    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9    4 o  142.935   7.5993  2425.00  255.571  2260.70  361.324  2589.50  361.540  137.549   11.222  147.381   10.456 -9.831863 15.33865 
1 1 1    6    9    5 o  147.092   7.5750  2567.72  262.214  2932.90  371.120  2203.70  370.533  156.942   10.067  135.721   11.675 21.22162 15.41626 
1 1 1    6    9    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9    8 f  389.326   30.456 18781.90  2777.66 18781.90  2777.66   0.0000   0.0000  389.326   30.456  ?   ?  0.000000 30.45638 
1 1 1    6    9    9 o  237.735   12.568  6743.45  703.015  7043.30  994.537  6444.00  993.888  241.803   17.537  231.005   18.372 10.79709 25.39853 
1 1 1    6    9   10 o  102.987   5.5055  1257.82  133.403  1176.60  188.401  1339.50  188.921   99.330   8.1029  106.085   7.5918 -6.755074 11.10375 
1 1 1    6    9   11 o   91.416   5.0541  991.091  108.677  1114.40  153.636  867.600  153.749   96.794   6.7643   85.234   7.7229 11.56009 10.26636 
1 1 1    6    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9   13 o  222.211   12.208  5908.12  638.109  6648.10  901.804  5166.10  903.042  234.551   16.385  205.852   18.785 28.69907 24.92653 
1 1 1    6    9   14 o  113.094   6.1137  1519.01  162.662  1532.90  229.958  1505.10  230.120  113.279   8.6624  112.229   8.7526 1.050720 12.31444 
1 1 1    6    9   15 o  346.890   18.841 14700.90  1537.53 14918.60  2173.67 14482.90  2175.13  343.486   27.017  338.018   27.489 5.467896 38.54334 
1 1 1    6    9   16 o   79.598   4.4223  751.862   82.794  790.400  117.070  713.300  117.107   81.434   6.1331   77.292   6.4760 4.141762 8.919222 
1 1 1    6    9   17 o   82.174   4.5146  801.561   87.266  758.500  123.357  844.700  123.469   79.678   6.6162   84.162   6.2574 -4.484200 9.106579 
1 1 1    6    9   18 o  273.223   14.755  9086.20  948.440  8766.80  1341.09  9405.80  1341.51  263.826   21.720  273.950   20.895 -10.12418 30.13895 
1 1 1    6    9   19 f  293.259   16.121 10549.34  1112.05 10904.20  1571.38 10193.30  1573.98  292.683   22.920  282.096   23.852 10.58701 33.07925 
1 1 1    6    9   20 o  168.275   8.9701  3393.43  355.150  3282.70  501.993  3504.40  502.523  164.150   13.059  169.802   12.623 -5.652435 18.16241 
1 1 1    6    9   21 o  135.803   7.3545  2202.81  234.966  2321.70  332.201  2083.80  332.383  138.703   10.215  131.188   10.826 7.515030 14.88437 
1 1 1    6    9   22 o   99.291   5.3855  1173.17  125.798  1083.00  177.879  1263.40  177.931   94.927   8.0103  102.707   7.3858 -7.779785 10.89566 
1 1 1    6    9   23 o  155.753   8.3721  2908.14  306.787  2924.80  433.958  2891.50  433.767  155.000   11.949  154.085   12.017 0.9149170 16.94602 
1 1 1    6    9   24 o   25.462   1.9611   77.055   11.700   69.600   16.552   84.500   16.541   24.078   2.9744   26.602   2.6693 -2.524000 3.996539 
1 1 1    6    9   25 o   74.277   4.1513  655.700   72.521  655.600  102.580  655.800  102.540   74.021   5.9182   74.033   5.9149 -0.1190948E-01 8.367244 
1 1 1    6    9   26 o   97.567   5.3159  1134.18  122.011  1057.20  172.531  1211.20  172.569   93.674   7.8729  100.436   7.3268 -6.762344 10.75475 
1 1 1    6    9   27 o   32.655   2.2109  126.633   16.948  115.200   23.950  138.100   23.986   31.017   3.3216   34.029   3.0164 -3.011148 4.486800 
1 1 1    6    9   28 o   80.781   4.4921  777.356   85.348  797.300  120.684  757.400  120.717   81.464   6.3232   79.349   6.4997 2.115250 9.068033 
1 1 1    6    9   29 o   33.507   2.2767  133.411   17.906  119.100   25.333  147.700   25.314   31.506   3.4622   35.177   3.0785 -3.670424 4.632905 
1 1 1    6    9   30 o   50.910   3.0424  308.310   36.407  277.600   51.495  339.000   51.478   48.058   4.5937   53.232   4.1276 -5.174522 6.175655 
1 1 1    6    9   31 o   94.533   5.2101  1073.48  115.853  987.100  163.823  1159.90  163.860   89.680   7.8141   97.549   7.1637 -7.868851 10.60085 
1 1 1    6    9   32 f   67.160   3.8553  539.432   60.885  483.600   86.130  595.200   86.080   63.046   5.8521   70.192   5.2309 -7.146526 7.849210 
1 1 1    6    9   33 o   68.440   3.8976  561.299   62.728  567.500   88.717  555.100   88.705   68.308   5.5481   67.530   5.6136 0.7780533 7.892639 
1 1 1    6    9   34 o  140.166   7.9133  2461.41  260.845  2498.30  368.824  2424.50  368.957  136.937   11.513  134.611   11.724 2.325836 16.43201 
1 1 1    6    9   35 o   47.735   2.8967  272.399   32.497  279.300   45.962  265.500   45.953   48.049   4.0898   46.807   4.2024 1.241833 5.864015 
1 1 1    6    9   36 o   75.208   4.1628  683.570   73.641  776.300  104.217  591.100  104.071   79.444   5.5911   68.794   6.4829 10.65012 8.560864 
1 1 1    6    9   37 o   72.065   4.0372  628.309   68.425  699.900   96.829  556.900   96.707   75.325   5.4814   66.745   6.2070 8.580605 8.280890 
1 1 1    6    9   38 o   26.392   1.9546   83.164   12.095   92.400   17.138   74.000   17.071   27.705   2.6520   24.696   2.9882 3.008913 3.995319 
1 1 1    6    9   39 o   9.8363   1.5646   11.753   3.5124   13.800   5.0950   9.9000   4.8487   10.586   2.1122   8.9464   2.2865 1.639557 3.112825 
1 1 1    6    9   40 o   17.710   1.6667   37.579   6.8882   43.000   9.8064   32.300   9.6777   18.852   2.2472   16.224   2.6150 2.627626 3.447882 
1 1 1    6    9   41 o   48.098   2.9325  280.330   33.147  299.700   46.901  261.000   46.852   49.163   4.0768   45.681   4.3978 3.482044 5.996717 
1 1 1    6    9   42 o   45.076   2.6374  245.842   27.950  291.700   39.618  200.400   39.438   48.697   3.4680   39.910   4.2501 8.786674 5.485504 
1 1 1    6    9   43 o   19.671   1.8249   46.606   8.3801   46.900   11.733   46.300   11.974   19.536   2.6084   19.385   2.6880 0.1505432 3.745605 
1 1 1    6    9   44 o   31.735   2.3388  122.036   17.403  142.500   24.501  101.200   24.723   33.995   3.0857   28.289   3.7969 5.706301 4.892669 
1 1 1    6    9   45 o   3.7727   1.4634   1.0681   1.8637   4.8000   2.5807  -3.0000   2.6944   6.2388   1.7037   3.0523   1.4390 3.186527 2.230139 
1 1 1    6    9   46 o   31.032   2.2433  116.797   16.327  132.100   23.055  101.400   23.126   32.670   3.0228   28.350   3.5310 4.320105 4.648149 
1 1 1    6    9   47 o   4.3190   1.5581   1.8678   2.0342   1.1000   2.7470   2.8000   3.0269   4.3595   1.7496   5.2627   1.9003 -0.9032035 2.583073 
1 1 1    6    9   48 o   16.789   1.8215   34.324   7.1055   38.300   9.9000   30.100   10.204   17.539   2.4578   15.350   2.9219 2.188867 3.818146 
1 1 1    6    9   49 o   3.7119   1.5750   0.1000   2.3993   0.1000   2.3993   0.0000   0.0000   3.7119   1.5750  ?   ?  0.000000 1.574989 
1 1 1    6    9   50 o   11.143   2.4292   15.900   6.2116   15.900   6.2116   0.0000   0.0000   11.143   2.4292  ?   ?  0.000000 2.429162 
1 1 1    6    9   51 o   19.082   2.6924   46.400   11.794   46.400   11.794   0.0000   0.0000   19.082   2.6924  ?   ?  0.000000 2.692368 
1 1 1    6    9   52 o   14.805   2.5824   28.200   8.6995   28.200   8.6995   0.0000   0.0000   14.805   2.5824  ?   ?  0.000000 2.582378 
1 1 1    6    9   53 o   12.817   2.5001   21.400   7.2946   21.400   7.2946   0.0000   0.0000   12.817   2.5001  ?   ?  0.000000 2.500076 
1 1 1    6    9   54 o   20.790   2.8855   58.400   13.784   58.400   13.784   0.0000   0.0000   20.790   2.8855  ?   ?  0.000000 2.885474 
1 1 1    6    9   55 o   10.934   2.6399   16.700   6.7386   16.700   6.7386   0.0000   0.0000   10.934   2.6399  ?   ?  0.000000 2.639854 
1 1 1    6    9   56 o   15.624   3.0849   36.200   10.978   36.200   10.978   0.0000   0.0000   15.624   3.0849  ?   ?  0.000000 3.084930 
1 1 1    6    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6    9   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   10    2 o  286.517   15.213  9817.30  1025.56  9636.70  1450.17  9998.00  1450.55  281.934   21.956  287.339   21.535 -5.404785 30.75407 
1 1 1    6   10    3 o  200.780   10.458  4795.44  494.103  4258.00  698.375  5334.10  699.161  188.215   15.861  211.167   14.102 -22.95105 21.22401 
1 1 1    6   10    4 f  277.817   13.597  9188.28  892.023  7221.80  1260.08 11163.70  1262.94  243.721   22.136  304.894   17.617 -61.17310 28.29089 
1 1 1    6   10    5 f  299.410   15.902 10735.65  1120.25 11103.40  1584.49 10368.10  1584.06  302.466   22.343  291.929   23.170 10.53751 32.18733 
1 1 1    6   10    6 o  121.045   6.5167  1738.36  185.583  1714.90  262.492  1761.80  262.415  119.915   9.3438  121.570   9.2095 -1.655220 13.11950 
1 1 1    6   10    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   10    8 o  338.628   17.900 13791.82  1426.21 14554.30  2017.99 13030.90  2015.94  344.963   24.941  325.614   26.447 19.34894 36.35291 
1 1 1    6   10    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   10   10 o  190.019   10.281  4300.55  459.587  4728.80  649.537  3871.20  650.373  198.582   13.940  179.229   15.520 19.35295 20.86154 
1 1 1    6   10   11 o  435.015   35.026 24133.40  3567.47 24133.40  3567.47   0.0000   0.0000  435.015   35.026  ?   ?  0.000000 35.02598 
1 1 1    6   10   12 o  311.873   16.931 11742.84  1242.20 12826.00  1755.93 10657.70  1757.54  322.932   23.181  292.903   25.670 30.02884 34.58767 
1 1 1    6   10   13 o  122.538   6.5897  1783.94  189.977  1769.80  268.103  1798.20  269.237  121.658   9.4056  122.642   9.3676 -0.9840775 13.27470 
1 1 1    6   10   14 o  134.166   7.2050  2141.00  227.429  2181.10  321.612  2100.90  321.655  134.936   10.168  132.379   10.373 2.557159 14.52547 
1 1 1    6   10   15 o  315.990   16.909 12152.73  1257.08 11718.70  1776.73 12587.80  1778.84  305.043   24.883  316.932   23.946 -11.88882 34.53322 
1 1 1    6   10   16 o  221.157   11.838  5880.96  615.973  5686.50  871.033  6075.50  871.202  215.280   17.280  222.846   16.677 -7.565582 24.01490 
1 1 1    6   10   17 o  271.939   14.559  8985.31  931.508  9582.80  1317.84  8388.70  1316.86  277.251   20.270  258.255   21.798 18.99585 29.76568 
1 1 1    6   10   18 o  166.104   8.9081  3301.45  348.128  3318.40  492.379  3284.50  492.277  165.406   12.703  164.531   12.771 0.8754120 18.01289 
1 1 1    6   10   19 o  231.180   12.534  6471.41  681.652  6606.20  963.266  6336.20  964.738  230.694   17.821  225.631   18.264 5.062469 25.51757 
1 1 1    6   10   20 o   69.520   3.9162  573.800   64.027  599.800   90.547  547.800   90.547   70.903   5.4498   67.704   5.7171 3.199257 7.898514 
1 1 1    6   10   21 o   71.673   4.0147  610.037   67.675  588.100   95.678  632.000   95.734   70.140   5.8296   72.759   5.6155 -2.618698 8.094311 
1 1 1    6   10   22 o  121.559   6.3570  1761.59  181.841  1605.60  256.867  1918.30  257.458  115.336   9.5165  126.353   8.6816 -11.01735 12.88153 
1 1 1    6   10   23 o  145.485   7.8372  2533.91  268.248  2542.20  379.255  2525.60  379.466  144.702   11.186  144.211   11.232 0.4911194 15.85193 
1 1 1    6   10   24 o   58.118   3.3677  401.001   46.020  411.700   65.077  390.300   65.086   58.736   4.7322   57.160   4.8684 1.575653 6.789338 
1 1 1    6   10   25 o   64.270   3.6584  490.648   55.292  445.200   78.194  536.100   78.197   60.969   5.4901   67.027   4.9761 -6.057259 7.409659 
1 1 1    6   10   26 o   64.507   3.6576  494.387   55.485  507.100   78.507  481.700   78.427   65.138   5.1459   63.455   5.2820 1.683403 7.374291 
1 1 1    6   10   27 o  164.720   8.9620  3280.47  347.279  3380.00  490.957  3180.80  491.297  165.303   12.674  160.079   13.112 5.224030 18.23640 
1 1 1    6   10   28 o   47.296   2.8465  265.733   31.642  257.700   44.703  273.800   44.795   46.416   4.1214   47.872   3.9993 -1.456348 5.742867 
1 1 1    6   10   29 o   86.108   4.6788  885.280   94.778  829.200  133.893  941.600  134.179   82.779   6.9130   88.373   6.4750 -5.593674 9.471824 
1 1 1    6   10   30 o   11.455   1.6544   15.834   4.3455   14.300   6.2152   17.300   6.0779   10.775   2.4923   11.897   2.2459 -1.121213 3.354913 
1 1 1    6   10   31 o   79.400   4.4727  755.190   83.518  728.600  118.201  781.700  118.024   77.358   6.5318   80.236   6.2794 -2.877258 9.060661 
1 1 1    6   10   32 o   10.430   1.6534   13.184   3.9362   12.300   5.6807   14.000   5.4592   9.9882   2.4314   10.672   2.2378 -0.6840229 3.304464 
1 1 1    6   10   33 o  100.957   5.6132  1238.00  133.288  1261.10  188.493  1214.90  188.504  100.468   8.0118   98.487   8.1795 1.980484 11.44960 
1 1 1    6   10   34 o   16.801   1.6466   33.734   6.4486   39.300   9.1753   28.300   9.0651   18.071   2.1953   15.220   2.6166 2.850763 3.415565 
1 1 1    6   10   35 o   78.871   4.3828  752.057   81.304  818.500  115.062  685.800  114.902   81.462   6.0243   74.197   6.6279 7.264320 8.956617 
1 1 1    6   10   36 o   34.475   2.2709  141.813   18.384  156.900   26.031  126.800   25.966   36.118   3.0816   32.361   3.4513 3.756889 4.626816 
1 1 1    6   10   37 o   51.914   3.1115  323.506   37.968  314.700   53.713  332.300   53.677   50.739   4.5307   52.199   4.3957 -1.460320 6.312634 
1 1 1    6   10   38 o   16.212   1.7031   31.511   6.4224   30.700   9.1436   32.300   9.0228   15.855   2.5271   16.293   2.4186 -0.4380054 3.497961 
1 1 1    6   10   39 o   49.408   2.9172  293.763   33.884  323.600   47.989  264.100   47.850   51.457   3.9804   46.266   4.4342 5.191380 5.958625 
1 1 1    6   10   40 o   25.936   1.9856   80.595   12.068   81.800   17.106   79.400   17.029   25.937   2.8393   25.541   2.8735 0.3968010 4.039599 
1 1 1    6   10   41 o   25.051   1.8261   75.168   10.728   88.600   15.276   62.100   15.068   27.071   2.4151   22.497   2.9042 4.574085 3.777179 
1 1 1    6   10   42 o   32.874   2.2109  130.143   17.063  143.600   24.182  116.800   24.079   34.258   3.0202   30.735   3.3732 3.522799 4.527720 
1 1 1    6   10   43 o   18.165   1.6969   39.695   7.1941   42.400   10.281   37.100   10.071   18.614   2.3944   17.357   2.5316 1.257586 3.484570 
1 1 1    6   10   44 o   39.663   2.6281  191.521   24.475  202.100   34.498  180.800   34.729   40.183   3.6765   37.830   3.9457 2.353088 5.393049 
1 1 1    6   10   45 o   46.185   2.9851  262.139   32.381  305.600   45.721  218.400   45.867   49.158   3.9727   40.856   4.8489 8.301998 6.268567 
1 1 1    6   10   46 o   25.803   2.0883   80.646   12.615   91.000   17.717   70.000   17.965   27.155   2.8034   23.574   3.3193 3.581434 4.344689 
1 1 1    6   10   47 o   27.657   2.1193   93.002   13.735   97.100   19.305   88.800   19.547   27.883   2.9782   26.552   3.1809 1.331104 4.357488 
1 1 1    6   10   48 o   36.260   2.4211  161.575   20.611  201.000   29.176  122.300   29.121   39.961   3.1166   30.382   4.1689 9.578976 5.205088 
1 1 1    6   10   49 o   24.500   2.9070   76.100   16.489   76.100   16.489   0.0000   0.0000   24.500   2.9070  ?   ?  0.000000 2.906957 
1 1 1    6   10   50 o   9.0180   2.3279   10.400   4.9910   10.400   4.9910   0.0000   0.0000   9.0180   2.3279  ?   ?  0.000000 2.327886 
1 1 1    6   10   51 o   16.985   2.6294   36.800   10.205   36.800   10.205   0.0000   0.0000   16.985   2.6294  ?   ?  0.000000 2.629411 
1 1 1    6   10   52 o   7.7550   2.3322   7.6000   4.6177   7.6000   4.6177   0.0000   0.0000   7.7550   2.3322  ?   ?  0.000000 2.332151 
1 1 1    6   10   53 o   7.1540   2.2778   6.4000   4.3331   6.4000   4.3331   0.0000   0.0000   7.1540   2.2778  ?   ?  0.000000 2.277804 
1 1 1    6   10   54 o   2.0010   0.9633  -2.0000   1.3437  -2.0000   1.3437   0.0000   0.0000   2.0010   0.9633  ?   ?  0.000000 0.9632515 
1 1 1    6   10   55 o   10.844   2.6939   16.600   6.8673   16.600   6.8673   0.0000   0.0000   10.844   2.6939  ?   ?  0.000000 2.693878 
1 1 1    6   10   56 o   4.9963   1.9954   2.1000   3.5538   2.1000   3.5538   0.0000   0.0000   4.9963   1.9954  ?   ?  0.000000 1.995382 
1 1 1    6   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   11    1 o  307.064   16.290 11297.16  1176.96 11632.30  1664.94 10962.40  1664.00  309.410   22.951  300.049   23.678 9.361176 32.97590 
1 1 1    6   11    2 o  313.406   16.490 11772.44  1216.08 10939.10  1719.02 12607.30  1720.58  299.374   24.532  322.230   22.759 -22.85663 33.46325 
1 1 1    6   11    3 o  207.237   10.682  5110.76  520.952  4417.00  736.241  5806.40  737.234  191.548   16.436  220.284   14.249 -28.73595 21.75316 
1 1 1    6   11    4 o   79.913   4.3640  756.904   82.038  840.500  116.086  673.500  115.952   84.100   5.8825   75.163   6.5998 8.936874 8.840914 
1 1 1    6   11    5 o  358.121   18.753 15436.44  1580.36 14626.10  2230.98 16252.60  2238.97  344.746   27.638  364.243   26.206 -19.49716 38.08695 
1 1 1    6   11    6 o  286.270   14.847  9806.02  1000.19  8687.80  1413.58 10927.10  1415.39  267.034   22.631  300.630   20.053 -33.59583 30.23693 
1 1 1    6   11    7 o  213.697   11.210  5440.95  563.719  5900.30  797.607  4982.50  796.832  221.712   15.329  203.317   16.746 18.39485 22.70253 
1 1 1    6   11    8 o  336.719   17.928 13652.85  1420.37 14146.20  2009.32 13160.10  2008.09  339.569   25.239  326.968   26.229 12.60101 36.40044 
1 1 1    6   11    9 o  275.998   14.623  9127.34  949.606  8947.00  1340.88  9308.80  1345.03  271.116   21.111  276.717   20.735 -5.600494 29.59071 
1 1 1    6   11   10 o  250.199   13.454  7494.54  791.950  7742.00  1118.88  7246.10  1121.09  252.640   18.892  244.118   19.614 8.522156 27.23240 
1 1 1    6   11   11 o  199.042   10.686  4727.70  500.425  4854.10  707.002  4600.80  708.416  200.667   15.030  195.206   15.496 5.460953 21.58739 
1 1 1    6   11   12 o  171.578   9.1473  3508.01  369.272  3478.70  521.454  3537.50  523.008  170.045   13.087  171.502   13.011 -1.457382 18.45444 
1 1 1    6   11   13 o   61.292   3.5798  445.555   51.587  469.500   72.796  421.400   73.115   62.800   4.9491   59.440   5.2636 3.359692 7.224846 
1 1 1    6   11   14 o  174.719   9.0887  3642.45  373.681  4121.30  528.824  3164.90  528.107  185.137   12.164  161.645   13.973 23.49170 18.52589 
1 1 1    6   11   15 o  189.281   10.226  4289.98  455.369  3731.20  644.153  4848.20  643.826  174.776   15.778  200.174   13.703 -25.39789 20.89786 
1 1 1    6   11   16 o  179.063   9.5286  3837.66  401.451  4079.80  567.908  3595.80  567.567  183.526   13.192  171.926   14.104 11.60008 19.31258 
1 1 1    6   11   17 o  401.049   22.542 20305.76  2126.09 21416.30  3006.26 19194.50  3007.23  398.862   32.193  374.313   34.408 24.54874 47.11983 
1 1 1    6   11   18 o  267.470   14.568  8721.05  916.612  9067.30  1295.91  8374.40  1296.66  268.612   20.588  257.368   21.534 11.24356 29.79179 
1 1 1    6   11   19 o   61.265   3.5734  445.532   51.471  484.600   72.715  406.300   72.868   63.767   4.8659   58.292   5.3536 5.474625 7.234498 
1 1 1    6   11   20 o  159.692   8.5337  3054.81  320.631  2971.50  453.204  3138.30  453.677  156.259   12.384  160.738   12.040 -4.478317 17.27215 
1 1 1    6   11   21 o  112.453   6.0993  1506.81  161.356  1513.90  228.082  1499.70  228.301  112.198   8.6763  111.656   8.7284 0.5420914 12.30700 
1 1 1    6   11   22 o  151.150   8.1487  2736.78  289.767  2765.10  409.607  2708.40  409.980  150.838   11.588  149.223   11.729 1.615356 16.48859 
1 1 1    6   11   23 o  129.527   6.8938  2003.82  210.096  1885.30  296.895  2122.70  297.345  124.783   10.164  132.638   9.5577 -7.854553 13.95208 
1 1 1    6   11   24 o  115.410   6.2472  1589.44  169.618  1573.90  239.770  1605.00  239.983  114.206   8.9628  115.359   8.8780 -1.152580 12.61549 
1 1 1    6   11   25 o  104.717   5.7063  1307.60  140.570  1313.80  198.742  1301.40  198.850  104.443   8.1223  103.934   8.1680 0.5086899 11.51904 
1 1 1    6   11   26 o  153.701   8.2062  2843.02  296.762  2636.90  419.549  3049.40  419.821  146.314   12.256  157.868   11.337 -11.55429 16.69577 
1 1 1    6   11   27 o  133.951   7.2199  2155.53  227.527  2096.10  321.575  2215.10  321.970  130.845   10.496  134.660   10.201 -3.814926 14.63678 
1 1 1    6   11   28 o   27.435   1.9881   89.452   12.793   75.500   18.061  103.500   18.122   25.055   3.1203   29.457   2.6331 -4.401789 4.082866 
1 1 1    6   11   29 o  129.488   6.9325  2024.08  211.205  1896.50  298.429  2152.10  298.949  123.698   10.311  132.200   9.6429 -8.502472 14.11728 
1 1 1    6   11   30 o   12.148   1.6483   17.767   4.6063   16.900   6.5818   18.600   6.4489   11.728   2.4553   12.338   2.2981 -0.6094723 3.363031 
1 1 1    6   11   31 o   36.875   2.4185  161.809   20.943  155.300   29.637  168.300   29.598   35.960   3.5359   37.474   3.3812 -1.513927 4.892333 
1 1 1    6   11   32 o   94.356   5.2732  1075.89  117.021  1016.50  165.551  1135.20  165.434   90.470   7.8265   95.905   7.3612 -5.435272 10.74432 
1 1 1    6   11   33 o   34.040   2.2868  138.046   18.275  141.100   25.860  135.000   25.830   34.266   3.2342   33.496   3.3089 0.7693939 4.626950 
1 1 1    6   11   34 o  132.978   7.2278  2203.77  226.107  2563.80  319.956  1844.60  319.570  140.565   9.6987  116.737   11.753 23.82783 15.23790 
1 1 1    6   11   35 o   64.501   3.7247  500.507   56.490  514.400   79.868  486.600   79.910   64.803   5.2648   62.946   5.4293 1.857513 7.562767 
1 1 1    6   11   36 o   62.012   3.5856  462.883   52.281  490.500   73.960  435.300   73.913   63.286   4.9896   59.450   5.3214 3.835571 7.294740 
1 1 1    6   11   37 o   58.583   3.4337  413.300   47.293  415.800   66.878  410.800   66.886   58.173   4.9146   57.804   4.9479 0.3684311 6.973856 
1 1 1    6   11   38 o   37.767   2.3966  170.645   21.262  190.000   30.112  151.400   30.027   39.650   3.2445   35.249   3.6609 4.401684 4.891698 
1 1 1    6   11   39 o   17.964   1.6988   38.657   7.1208   43.600   10.115   33.800   10.026   18.982   2.3039   16.607   2.6454 2.374350 3.507990 
1 1 1    6   11   40 o   8.5291   1.5094   8.8898   2.9288   12.700   4.2684   5.5000   4.0261   10.176   1.8442   6.8630   2.1967 3.313115 2.868243 
1 1 1    6   11   41 o   8.2514   1.6696   8.3918   3.1414   7.4000   4.5438   9.3000   4.3479   7.7968   2.3063   8.6490   2.1405 -0.8521781 3.146564 
1 1 1    6   11   42 o   36.295   2.2673  158.771   19.335  185.400   27.411  132.400   27.278   38.943   3.0040   32.621   3.6012 6.321823 4.689682 
1 1 1    6   11   43 o   17.991   1.6779   38.940   7.0459   42.900   10.042   35.100   9.8882   18.741   2.3187   16.859   2.5646 1.881798 3.457438 
1 1 1    6   11   44 o   24.705   1.9083   73.514   11.046   77.700   15.690   69.400   15.554   25.169   2.6814   23.720   2.8331 1.448896 3.900765 
1 1 1    6   11   45 o   31.900   2.3044  123.447   17.241  158.400   24.349   88.300   24.417   35.889   2.8979   26.193   4.0806 9.696161 5.004859 
1 1 1    6   11   46 o   15.400   1.8574   28.847   6.6183   40.000   9.2405   17.100   9.4836   18.074   2.2112   11.580   3.3052 6.494276 3.976640 
1 1 1    6   11   47 o   48.479   3.0236  292.456   34.441  368.400   48.721  216.600   48.692   53.570   3.8777   39.635   5.3385 13.93548 6.598155 
1 1 1    6   11   48 o   14.245   1.8609   24.873   6.1098   38.500   8.5421   10.600   8.7425   17.701   2.0835   9.4482   3.2447 8.252854 3.856069 
1 1 1    6   11   49 o   22.880   2.8187   66.300   14.907   66.300   14.907   0.0000   0.0000   22.880   2.8187  ?   ?  0.000000 2.818733 
1 1 1    6   11   50 o   6.2324   2.0993   4.5000   3.6582   4.5000   3.6582   0.0000   0.0000   6.2324   2.0993  ?   ?  0.000000 2.099284 
1 1 1    6   11   51 o   17.539   2.6499   39.300   10.633   39.300   10.633   0.0000   0.0000   17.539   2.6499  ?   ?  0.000000 2.649894 
1 1 1    6   11   52 o   28.991   3.2603  110.900   21.932  110.900   21.932   0.0000   0.0000   28.991   3.2603  ?   ?  0.000000 3.260259 
1 1 1    6   11   53 o   5.5825   2.0642   3.2000   3.6033   3.2000   3.6033   0.0000   0.0000   5.5825   2.0642  ?   ?  0.000000 2.064185 
1 1 1    6   11   54 o   12.735   2.6030   22.000   7.5632   22.000   7.5632   0.0000   0.0000   12.735   2.6030  ?   ?  0.000000 2.602960 
1 1 1    6   11   55 o   9.7977   2.6576   13.600   6.3042   13.600   6.3042   0.0000   0.0000   9.7977   2.6576  ?   ?  0.000000 2.657566 
1 1 1    6   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12    2 o  297.826   15.259 10617.01  1069.52  9134.30  1511.24 12104.80  1513.82  273.552   23.627  316.428   20.368 -42.87561 31.19471 
1 1 1    6   12    3 o  333.056   17.591 13330.23  1378.60 14156.00  1950.49 12505.90  1948.80  340.535   24.418  319.234   26.080 21.30109 35.72675 
1 1 1    6   12    4 o  170.564   9.0879  3458.65  364.706  3511.50  515.763  3405.80  515.782  171.284   12.845  168.634   13.054 2.649902 18.31449 
1 1 1    6   12    5 o  338.405   18.359 13792.28  1461.56 12784.60  2068.38 14797.20  2065.55  321.867   27.477  347.518   25.346 -25.65045 37.38163 
1 1 1    6   12    6 o  403.501   22.040 19770.80  2092.01 21202.50  2956.64 18335.40  2960.46  412.731   30.554  381.937   33.154 30.79385 45.08567 
1 1 1    6   12    7 o  174.625   9.2975  3627.64  382.001  3592.20  540.172  3663.10  540.291  173.084   13.319  174.820   13.185 -1.736160 18.74123 
1 1 1    6   12    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12    9 o   90.616   4.9731  973.927  106.005  969.000  149.568  978.900  150.263   90.173   7.0812   90.637   7.0769 -0.4633408 10.01128 
1 1 1    6   12   10 o  189.849   10.219  4299.05  456.447  4500.50  645.030  4097.00  645.999  193.358   14.227  184.244   14.978 9.113373 20.65792 
1 1 1    6   12   11 o  181.032   9.7094  3908.83  413.544  3974.90  584.262  3842.50  585.419  181.658   13.722  178.517   14.000 3.141083 19.60300 
1 1 1    6   12   12 o  265.708   13.270  8462.17  832.613  7477.10  1174.19  9458.40  1180.82  246.543   20.351  278.622   18.045 -32.07861 27.19865 
1 1 1    6   12   13 o  184.703   10.002  4077.96  434.602  4282.50  614.008  3872.60  615.234  188.232   13.913  178.702   14.710 9.530563 20.24732 
1 1 1    6   12   14 o   49.999   2.9644  296.469   34.844  305.100   49.366  287.900   49.187   50.617   4.1673   49.147   4.2811 1.469589 5.974413 
1 1 1    6   12   15 o   96.977   5.2914  1117.34  120.713  1036.20  170.704  1198.50  170.725   93.020   7.8447  100.181   7.2663 -7.160629 10.69293 
1 1 1    6   12   16 o   59.835   3.1951  424.463   44.980  522.600   63.738  327.100   63.486   66.333   4.0891   52.287   5.2113 14.04660 6.624083 
1 1 1    6   12   17 o  270.593   14.772  8927.66  940.318  9083.00  1328.06  8771.50  1331.57  268.597   21.109  263.560   21.585 5.036987 30.19092 
1 1 1    6   12   18 o  173.567   9.3422  3613.00  381.485  3711.80  539.362  3514.10  539.639  174.609   13.178  169.712   13.579 4.897659 18.92278 
1 1 1    6   12   19 o  154.008   8.5798  2841.37  310.782  3172.00  439.068  2509.40  439.958  161.823   11.566  143.294   13.149 18.52922 17.51223 
1 1 1    6   12   20 o  107.431   5.8312  1374.34  147.375  1532.80  208.423  1215.90  208.416  113.098   7.8528  100.449   8.8781 12.64974 11.85273 
1 1 1    6   12   21 o  133.281   7.2299  2122.42  226.691  2243.70  320.494  2001.00  320.684  136.320   10.027  128.506   10.664 7.813492 14.63771 
1 1 1    6   12   22 o  123.086   6.6725  1808.23  193.213  1868.80  273.172  1747.60  273.316  124.498   9.3606  120.276   9.7059 4.221451 13.48427 
1 1 1    6   12   23 o  107.107   5.8293  1367.26  146.880  1432.20  207.704  1302.30  207.735  109.159   8.1159  103.964   8.5372 5.195625 11.77932 
1 1 1    6   12   24 o   89.466   4.9373  952.722  103.904  962.900  146.783  942.500  147.101   89.585   6.9941   88.605   7.0900 0.9799347 9.959215 
1 1 1    6   12   25 o  172.903   9.3726  3610.20  381.241  3869.80  539.100  3350.50  539.211  177.257   12.970  164.293   14.033 12.96384 19.10891 
1 1 1    6   12   26 o   33.596   2.2436  134.030   17.697  139.100   25.075  129.000   24.978   34.136   3.1462   32.848   3.2634 1.288029 4.533054 
1 1 1    6   12   27 o  105.776   5.7705  1338.29  143.587  1400.00  203.079  1276.60  203.046  107.548   8.0550  102.541   8.4612 5.006645 11.68224 
1 1 1    6   12   28 o  149.164   8.0531  2697.31  282.603  3007.30  399.753  2387.60  399.568  155.852   10.931  137.867   12.406 17.98462 16.53518 
1 1 1    6   12   29 o  196.030   10.916  4791.20  503.307  4731.80  711.769  4850.60  711.797  189.082   16.095  191.743   15.863 -2.660568 22.59820 
1 1 1    6   12   30 o   97.756   5.1312  1147.63  118.035  958.000  166.719  1338.20  167.134   88.171   8.0980  104.941   6.7809 -16.77014 10.56207 
1 1 1    6   12   31 o   15.704   1.6473   29.490   6.0180   33.800   8.5710   25.300   8.4518   16.747   2.2222   14.391   2.5820 2.356288 3.406635 
1 1 1    6   12   32 o   89.152   4.9752  959.351  104.320  930.800  147.533  987.900  147.529   86.750   7.2691   89.513   7.0363 -2.762886 10.11677 
1 1 1    6   12   33 o   70.422   3.9557  595.881   65.515  678.000   92.691  513.900   92.612   74.635   5.2937   64.583   6.1469 10.05212 8.112198 
1 1 1    6   12   34 o   95.863   5.3849  1121.22  121.402  1200.60  171.670  1041.80  171.708   97.762   7.4934   90.567   8.1150 7.194527 11.04557 
1 1 1    6   12   35 o   73.214   4.1401  647.569   71.282  683.100  100.852  612.100  100.765   74.414   5.7849   70.230   6.1378 4.184036 8.434277 
1 1 1    6   12   36 o   64.453   3.6135  500.334   54.773  436.500   77.391  564.400   77.532   59.373   5.5857   67.937   4.8652 -8.564297 7.407414 
1 1 1    6   12   37 f   30.496   2.1481  111.094   15.370  113.100   21.769  109.100   21.704   30.593   3.0542   30.030   3.1056 0.5629787 4.355815 
1 1 1    6   12   38 o   55.896   3.2760  376.867   43.051  406.000   60.918  347.800   60.848   57.484   4.5244   52.991   4.9189 4.492916 6.683262 
1 1 1    6   12   39 f   46.157   2.7414  256.377   29.745  297.800   42.128  215.200   42.003   49.417   3.6358   41.680   4.3309 7.736320 5.654737 
1 1 1    6   12   40 o   17.640   1.6451   37.306   6.7733   46.600   9.6283   28.200   9.5301   19.647   2.1084   15.081   2.7786 4.565892 3.487927 
1 1 1    6   12   41 o   52.779   3.0884  339.340   38.323  388.500   54.258  290.400   54.137   55.813   4.1465   47.733   4.8713 8.080711 6.397059 
1 1 1    6   12   42 o   21.769   1.7761   56.926   9.0502   65.300   12.856   48.700   12.743   23.176   2.3832   19.864   2.7938 3.311054 3.672125 
1 1 1    6   12   43 o   32.197   2.0660  124.846   15.624  147.900   22.196  102.200   21.998   34.813   2.7216   28.669   3.3103 6.144039 4.285493 
1 1 1    6   12   44 o   32.758   2.2574  129.881   17.355  133.100   24.617  126.700   24.471   32.756   3.2244   31.919   3.2941 0.8374577 4.609524 
1 1 1    6   12   45 o   34.164   2.1314  141.022   17.108  169.300   24.294  113.200   24.098   37.152   2.7895   30.028   3.4619 7.124311 4.445885 
1 1 1    6   12   46 o   6.3953   2.0690   4.8000   3.5643   4.8000   3.5643   0.0000   0.0000   6.3953   2.0690  ?   ?  0.000000 2.069031 
1 1 1    6   12   47 o   15.330   1.7882   28.619   6.3518   31.900   8.8919   25.200   9.0764   16.005   2.4291   14.063   2.8312 1.942178 3.730457 
1 1 1    6   12   48 o   6.3070   1.9614   4.8037   3.2312   10.100   4.1866  -3.0000   5.0818   8.9581   2.0265   4.6237   2.1074 4.334457 2.923658 
1 1 1    6   12   49 o   4.3844   1.7373   1.3000   2.6747   1.3000   2.6747   0.0000   0.0000   4.3844   1.7373  ?   ?  0.000000 1.737329 
1 1 1    6   12   50 o   18.284   2.6488   42.500   11.103   42.500   11.103   0.0000   0.0000   18.284   2.6488  ?   ?  0.000000 2.648836 
1 1 1    6   12   51 o   11.226   2.5109   16.300   6.4895   16.300   6.4895   0.0000   0.0000   11.226   2.5109  ?   ?  0.000000 2.510882 
1 1 1    6   12   52 o   9.8895   2.3723   12.700   5.4687   12.700   5.4687   0.0000   0.0000   9.8895   2.3723  ?   ?  0.000000 2.372252 
1 1 1    6   12   53 o   15.797   2.6119   32.900   9.4027   32.900   9.4027   0.0000   0.0000   15.797   2.6119  ?   ?  0.000000 2.611912 
1 1 1    6   12   54 o   15.665   2.6766   33.400   9.5456   33.400   9.5456   0.0000   0.0000   15.665   2.6766  ?   ?  0.000000 2.676616 
1 1 1    6   12   55 o   9.1824   2.6964   12.000   6.2307   12.000   6.2307   0.0000   0.0000   9.1824   2.6964  ?   ?  0.000000 2.696365 
1 1 1    6   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   13    0 f  240.663   18.547  7018.30  1039.63  7018.30  1039.63  7018.30  1039.63  240.663   18.547  240.663   18.547 0.000000 0.000000 
1 1 1    6   13    1 o  220.273   10.602  5761.94  551.459  4424.20  778.760  7107.40  781.005  191.328   17.428  243.817   13.620 -52.48956 22.11872 
1 1 1    6   13    2 o  265.102   12.373  8363.88  774.524 10546.40  1097.20  6196.10  1093.49  296.568   15.724  225.677   20.752 70.89046 26.03609 
1 1 1    6   13    3 o  343.153   18.351 14188.76  1481.63 14111.90  2095.41 14265.60  2095.26  338.612   26.415  340.539   26.259 -1.927124 37.24631 
1 1 1    6   13    4 o  270.384   14.364  8751.79  913.793  9037.70  1292.54  8466.10  1292.05  272.976   20.195  263.909   20.904 9.067810 29.06608 
1 1 1    6   13    5 o  100.649   5.4279  1201.50  128.528  1311.20  181.845  1092.00  181.687  104.965   7.3836   95.654   8.1205 9.311089 10.97542 
1 1 1    6   13    6 o  199.961   10.614  4765.22  499.373  5007.80  706.333  4522.80  706.108  204.137   14.752  193.750   15.565 10.38658 21.44526 
1 1 1    6   13    7 o  457.577   37.263 26997.90  3991.29 26997.90  3991.29   0.0000   0.0000  457.577   37.263  ?   ?  0.000000 37.26278 
1 1 1    6   13    8 o   82.215   4.5879  801.679   88.715  825.900  125.258  777.300  125.666   83.275   6.4194   80.746   6.6499 2.528778 9.242763 
1 1 1    6   13    9 o  156.768   8.4435  2925.32  311.415  3064.20  440.140  2786.10  440.675  159.867   11.741  152.270   12.363 7.596878 17.04966 
1 1 1    6   13   10 o  333.769   17.901 13527.16  1405.70 13278.70  1985.39 13776.90  1990.54  325.738   26.029  332.143   25.576 -6.405640 36.49181 
1 1 1    6   13   11 o  193.054   10.475  4455.38  475.753  4755.60  672.169  4154.00  673.466  198.390   14.447  185.005   15.560 13.38493 21.23334 
1 1 1    6   13   12 o  119.773   6.4832  1705.55  182.681  1704.50  258.197  1706.60  258.503  119.312   9.2363  119.385   9.2416 -0.7296753E-01 13.06590 
1 1 1    6   13   13 o  208.700   11.231  5226.33  551.450  5057.60  780.180  5394.80  779.556  203.471   16.377  210.419   15.805 -6.948578 22.75912 
1 1 1    6   13   14 o  148.179   7.5778  2616.62  264.262  3010.80  374.143  2224.20  373.305  158.442   10.052  135.666   11.769 22.77585 15.47789 
1 1 1    6   13   15 o  152.562   8.1811  2779.23  293.653  2731.60  415.219  2826.90  415.356  150.341   11.791  153.018   11.581 -2.676834 16.52681 
1 1 1    6   13   16 o   78.733   4.3744  736.044   81.008  758.700  114.578  713.400  114.547   79.727   6.1330   77.268   6.3337 2.459450 8.816444 
1 1 1    6   13   17 o  162.786   8.8083  3172.98  337.331  3488.30  476.924  2857.30  477.191  169.727   11.977  153.061   13.336 16.66611 17.92447 
1 1 1    6   13   18 o   82.466   4.5369  807.913   88.007  850.500  124.515  765.400  124.408   84.384   6.2941   79.971   6.6482 4.413055 9.155027 
1 1 1    6   13   19 o   51.659   3.1355  316.745   38.067  342.800   53.738  290.500   53.933   53.634   4.2787   49.294   4.6899 4.340096 6.348384 
1 1 1    6   13   20 o  189.519   10.084  4325.50  449.663  4844.50  636.070  3807.00  635.768  199.029   13.616  175.417   15.508 23.61235 20.63720 
1 1 1    6   13   21 o   31.224   2.0970  115.717   15.372  142.100   21.774   89.500   21.705   34.566   2.6887   27.289   3.4451 7.277092 4.370146 
1 1 1    6   13   22 o   10.861   1.6424   14.250   4.0810   16.200   5.7713   12.300   5.7713   11.516   2.2025   10.003   2.4603 1.513106 3.302151 
1 1 1    6   13   23 o  186.062   9.9239  4179.65  434.442  4740.50  614.534  3619.30  614.254  196.487   13.324  170.445   15.429 26.04167 20.38557 
1 1 1    6   13   24 o  220.402   12.038  5930.32  624.126  6255.90  882.490  5604.50  882.805  222.911   16.891  210.076   17.969 12.83536 24.66160 
1 1 1    6   13   25 o   83.174   4.5609  823.381   89.237  786.300  126.083  860.600  126.317   80.903   6.6589   84.725   6.3602 -3.821396 9.208276 
1 1 1    6   13   26 o   82.918   4.6242  819.136   90.182  887.600  127.502  750.600  127.571   85.999   6.3229   78.915   6.9156 7.083946 9.370468 
1 1 1    6   13   27 o  140.183   7.6153  2371.80  251.139  2380.20  355.177  2363.40  355.150  138.860   10.920  138.345   10.961 0.5152588 15.47240 
1 1 1    6   13   28 o  156.919   8.5709  3001.52  316.387  2978.70  447.187  3024.40  447.691  153.706   12.427  154.957   12.337 -1.250504 17.51107 
1 1 1    6   13   29 o   56.846   3.3246  384.905   44.433  368.000   62.847  401.800   62.828   55.301   4.8621   57.850   4.6383 -2.548717 6.719682 
1 1 1    6   13   30 o   65.897   3.7641  518.702   58.329  520.400   82.447  517.000   82.532   65.618   5.3680   65.394   5.3928 0.2234268 7.609010 
1 1 1    6   13   31 o   80.226   4.5024  773.297   84.950  775.400  120.228  771.200  120.047   79.620   6.4501   79.399   6.4588 0.2209091 9.127968 
1 1 1    6   13   32 o  116.178   6.4740  1654.31  176.900  1512.30  250.179  1796.30  250.171  108.475   9.8750  119.119   8.9595 -10.64407 13.33377 
1 1 1    6   13   33 o  106.362   5.9502  1386.11  148.847  1402.80  210.452  1369.40  210.551  105.001   8.5624  103.631   8.6842 1.369820 12.19548 
1 1 1    6   13   34 f   35.905   2.3729  153.801   20.005  156.800   28.289  150.800   28.294   36.070   3.3599   35.352   3.4327 0.7186317 4.803367 
1 1 1    6   13   35 o   72.723   4.1479  639.401   70.934  649.000  100.310  629.800  100.323   72.406   5.9187   71.265   6.0178 1.140755 8.440685 
1 1 1    6   13   36 f   56.452   3.3263  383.147   44.144  397.200   62.436  369.100   62.422   56.989   4.6810   54.845   4.8706 2.144169 6.755335 
1 1 1    6   13   37 o   37.344   2.4224  166.837   21.246  183.600   30.058  150.100   30.035   38.973   3.2971   35.108   3.6775 3.865150 4.939077 
1 1 1    6   13   38 o   47.207   2.8950  268.153   32.115  285.500   45.413  250.800   45.422   48.306   4.0177   45.133   4.3145 3.172367 5.895516 
1 1 1    6   13   39 f   11.556   1.6108   16.159   4.2758   19.800   6.1261   12.700   5.9705   12.721   2.1135   10.103   2.5130 2.618068 3.283589 
1 1 1    6   13   40 o   48.588   2.9126  286.176   33.263  317.700   47.097  254.800   46.985   50.653   3.9693   45.047   4.4763 5.606319 5.982681 
1 1 1    6   13   41 o   34.459   2.3350  143.204   18.888  141.500   26.740  144.900   26.683   33.866   3.3894   34.296   3.3371 -0.4299202 4.756475 
1 1 1    6   13   42 f   15.445   1.6489   28.748   5.9208   30.900   8.4780   26.700   8.2722   15.866   2.3324   14.692   2.4722 1.174436 3.398824 
1 1 1    6   13   43 o   15.844   1.5429   30.184   5.6994   38.300   8.1727   22.500   7.9522   17.773   1.9810   13.418   2.6037 4.355348 3.271666 
1 1 1    6   13   44 o   30.075   2.1281  109.269   15.016  114.700   21.298  103.900   21.174   30.486   2.9972   28.938   3.1496 1.548908 4.347793 
1 1 1    6   13   45 o   32.340   2.1453  126.489   16.290  142.500   23.118  110.700   22.957   34.007   2.9068   29.751   3.3246 4.255743 4.416142 
1 1 1    6   13   46 o   20.264   1.7155   49.555   8.1317   55.800   11.590   43.500   11.412   21.322   2.3403   18.688   2.6613 2.633400 3.543929 
1 1 1    6   13   47 o   23.251   1.9710   65.760   10.720   75.700   15.115   55.700   15.206   24.686   2.6335   20.896   3.1822 3.790300 4.130595 
1 1 1    6   13   48 o   14.528   1.7230   25.766   5.7954   24.500   7.9518   27.200   8.4641   13.914   2.5127   14.670   2.5350 -0.7562962 3.569299 
1 1 1    6   13   49 o   6.0560   2.0986   4.1000   3.6612   4.1000   3.6612   0.0000   0.0000   6.0560   2.0986  ?   ?  0.000000 2.098604 
1 1 1    6   13   50 o   21.002   2.7319   56.100   13.228   56.100   13.228   0.0000   0.0000   21.002   2.7319  ?   ?  0.000000 2.731919 
1 1 1    6   13   51 o   36.645   3.8225  181.700   32.590  181.700   32.590   0.0000   0.0000   36.645   3.8225  ?   ?  0.000000 3.822455 
1 1 1    6   13   52 o   13.343   2.5581   23.200   7.7668   23.200   7.7668   0.0000   0.0000   13.343   2.5581  ?   ?  0.000000 2.558086 
1 1 1    6   13   53 o   14.911   2.6243   29.600   8.9031   29.600   8.9031   0.0000   0.0000   14.911   2.6243  ?   ?  0.000000 2.624308 
1 1 1    6   13   54 o   17.135   2.8738   41.000   11.216   41.000   11.216   0.0000   0.0000   17.135   2.8738  ?   ?  0.000000 2.873821 
1 1 1    6   13   55 o   11.852   2.6103   19.800   7.1081   19.800   7.1081   0.0000   0.0000   11.852   2.6103  ?   ?  0.000000 2.610347 
1 1 1    6   13   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   13   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   14    0 o  174.538   13.484  3678.90  548.122  3678.90  548.122  3678.90  548.122  174.538   13.484  174.538   13.484 0.000000 0.000000 
1 1 1    6   14    1 o  445.898   35.755 25317.90  3733.03 25317.90  3733.03   0.0000   0.0000  445.898   35.755  ?   ?  0.000000 35.75467 
1 1 1    6   14    2 o  246.988   13.057  7293.59  758.807  7824.70  1073.43  6763.10  1072.80  254.454   17.981  236.014   19.422 18.43967 26.46724 
1 1 1    6   14    3 o  120.691   6.4917  1729.09  184.329  1742.10  260.760  1716.10  260.603  120.819   9.2093  119.900   9.2766 0.9196243 13.07160 
1 1 1    6   14    4 o  385.967   20.983 18115.29  1905.21 17721.50  2697.62 18507.20  2691.15  375.627   30.681  384.496   29.875 -8.869232 42.82336 
1 1 1    6   14    5 o  428.014   23.029 22429.22  2318.95 24124.90  3282.28 20739.30  3276.70  436.805   32.045  402.466   34.821 34.33911 47.32269 
1 1 1    6   14    6 f  180.430   8.9991  3865.06  383.413  4595.90  542.859  3137.60  541.600  196.021   11.783  161.266   14.373 34.75522 18.58544 
1 1 1    6   14    7 o  497.403   42.095 33148.00  4897.90 33148.00  4897.90   0.0000   0.0000  497.403   42.095  ?   ?  0.000000 42.09541 
1 1 1    6   14    8 o  287.674   15.490  9981.57  1048.39 11617.50  1482.52  8345.10  1482.77  308.039   20.498  258.820   24.555 49.21970 31.98654 
1 1 1    6   14    9 o  396.479   21.251 19313.89  1982.30 18386.40  2799.25 20246.90  2807.56  378.004   31.652  398.339   30.070 -20.33524 43.65799 
1 1 1    6   14   10 o  371.859   19.590 16937.44  1714.12 19049.00  2427.66 14838.10  2420.62  388.613   26.615  339.391   30.531 49.22232 40.50307 
1 1 1    6   14   11 o  102.956   5.3921  1258.54  130.636  1141.90  184.233  1376.50  185.265   97.703   8.0573  107.440   7.3465 -9.736458 10.90369 
1 1 1    6   14   12 o  227.142   12.089  6205.03  646.061  6064.80  912.144  6346.20  915.199  222.342   17.515  227.643   17.152 -5.300980 24.51432 
1 1 1    6   14   13 o  150.899   8.1759  2717.52  290.242  2868.80  410.162  2565.80  410.767  154.309   11.336  145.695   12.048 8.614044 16.54224 
1 1 1    6   14   14 o  215.909   11.222  5606.36  570.166  4895.10  805.720  6319.80  806.954  199.197   17.301  227.626   15.099 -28.42879 22.96298 
1 1 1    6   14   15 o  129.068   6.9499  1985.24  211.036  1908.40  298.437  2062.10  298.463  125.881   10.126  130.980   9.7192 -5.099129 14.03531 
1 1 1    6   14   16 o   68.279   3.5280  552.883   56.687  667.000   80.404  440.100   79.933   74.911   4.5672   60.656   5.6456 14.25560 7.261680 
1 1 1    6   14   17 o  325.899   17.953 13192.43  1376.28 13382.00  1946.70 13003.00  1946.01  319.772   26.006  314.689   26.433 5.083618 37.08120 
1 1 1    6   14   18 o  174.242   9.3504  3645.06  383.316  3720.60  542.246  3569.60  541.936  174.605   13.250  170.884   13.541 3.720825 18.94555 
1 1 1    6   14   19 o   34.988   2.3418  145.316   19.236  154.800   27.180  135.800   27.227   36.034   3.2285   33.703   3.4708 2.331093 4.740215 
1 1 1    6   14   20 o  109.238   5.9595  1421.74  153.146  1494.70  216.518  1348.70  216.645  111.556   8.2784  105.830   8.7476 5.726273 12.04375 
1 1 1    6   14   21 o  253.734   13.881  7888.19  828.509  8396.90  1171.53  7379.20  1171.85  257.427   19.415  239.972   20.888 17.45511 28.51796 
1 1 1    6   14   22 o  150.208   8.1136  2705.64  286.717  2760.70  405.349  2650.50  405.610  150.584   11.486  147.429   11.749 3.154831 16.43050 
1 1 1    6   14   23 o  109.717   5.9603  1435.99  153.841  1462.10  217.620  1409.90  217.508  110.157   8.4302  108.120   8.5902 2.036942 12.03572 
1 1 1    6   14   24 o   81.898   4.4463  797.876   85.666  756.700  120.823  839.500  121.479   79.409   6.5004   83.727   6.1881 -4.318451 8.974854 
1 1 1    6   14   25 o  130.253   7.0488  2034.99  215.997  2016.20  305.363  2053.80  305.570  128.584   10.139  129.821   10.046 -1.237213 14.27335 
1 1 1    6   14   26 o   91.720   5.0616  1004.07  109.201  1024.00  154.360  984.100  154.508   92.140   7.1505   90.273   7.3110 1.866814 10.22645 
1 1 1    6   14   27 o  109.650   5.9821  1442.58  154.305  1421.20  218.111  1464.00  218.329  107.910   8.6319  109.584   8.5039 -1.674141 12.11716 
1 1 1    6   14   28 o  160.680   8.8325  3163.11  333.839  3174.50  471.929  3151.70  472.310  157.914   12.765  157.287   12.828 0.6269531 18.09733 
1 1 1    6   14   29 o   42.028   2.5817  210.091   25.497  182.100   36.021  238.200   36.097   38.907   3.9766   44.641   3.4511 -5.733086 5.265302 
1 1 1    6   14   30 o   92.059   5.1005  1020.59  110.444  1100.70  156.202  940.500  156.180   94.799   7.0279   87.298   7.6536 7.500702 10.39077 
1 1 1    6   14   31 o   51.713   3.0853  319.150   37.504  296.000   53.039  342.300   53.039   49.470   4.5928   53.315   4.2482 -3.844437 6.256260 
1 1 1    6   14   32 o   11.275   1.6177   15.350   4.1837   17.200   5.9998   13.600   5.8368   11.852   2.2255   10.497   2.4061 1.354829 3.277532 
1 1 1    6   14   33 o   60.673   3.5294  441.607   50.347  450.700   71.176  432.500   71.228   60.822   5.0001   59.530   5.1167 1.291775 7.154125 
1 1 1    6   14   34 o   77.881   4.4006  734.181   80.598  782.100  114.005  686.300  113.959   79.495   6.1203   74.179   6.5740 5.316299 8.981976 
1 1 1    6   14   35 o   47.167   2.9197  266.504   32.359  276.100   45.636  256.800   45.890   47.687   4.0924   45.918   4.2817 1.768894 5.922852 
1 1 1    6   14   36 o   82.871   4.7085  838.952   91.760  877.100  129.764  800.800  129.772   83.384   6.6456   79.384   6.9943 3.999634 9.647988 
1 1 1    6   14   37 o   28.112   2.0527   94.436   13.532   98.900   19.167   90.000   19.107   28.612   2.8759   27.248   3.0204 1.363857 4.170554 
1 1 1    6   14   38 o   30.330   1.9993  109.938   14.238  136.800   20.216   83.500   20.057   33.727   2.5575   26.110   3.3287 7.616270 4.197742 
1 1 1    6   14   39 o   14.444   1.6394   25.103   5.4922   28.600   7.8208   21.700   7.7147   15.319   2.2273   13.237   2.5607 2.081804 3.393829 
1 1 1    6   14   40 o   31.252   2.0907  117.269   15.340  142.200   21.752   92.600   21.637   34.243   2.7122   27.356   3.4245 6.886806 4.368489 
1 1 1    6   14   41 o   53.353   3.2017  348.467   40.151  365.700   56.837  331.300   56.727   53.734   4.5214   50.935   4.7721 2.798878 6.573857 
1 1 1    6   14   42 o   27.819   2.0127   93.193   13.133  105.800   18.615   80.700   18.531   29.427   2.7093   25.516   3.1419 3.911335 4.148721 
1 1 1    6   14   43 o   12.609   1.7042   19.315   4.9443   17.200   7.1056   21.300   6.8844   11.692   2.6365   13.115   2.3071 -1.423326 3.503448 
1 1 1    6   14   44 o   25.142   1.8969   76.156   11.179   85.400   15.891   67.100   15.728   26.417   2.5805   23.266   2.9276 3.150255 3.902537 
1 1 1    6   14   45 o   22.602   1.8031   61.588   9.5436   69.900   13.590   53.500   13.405   23.892   2.4432   20.747   2.8084 3.145058 3.722374 
1 1 1    6   14   46 o   10.960   1.4536   14.586   3.6692   20.800   5.3848   9.2000   5.0131   13.045   1.7958   8.5682   2.3883 4.476266 2.988101 
1 1 1    6   14   47 o   19.006   1.8665   43.963   8.2686   48.100   11.541   39.600   11.853   19.647   2.5476   17.642   2.9493 2.005375 3.897249 
1 1 1    6   14   48 o   22.744   1.9808   63.256   10.532   94.300   14.869   32.000   14.920   27.648   2.2984   15.286   4.0637 12.36274 4.668604 
1 1 1    6   14   49 o   24.663   2.9188   77.600   16.669   77.600   16.669   0.0000   0.0000   24.663   2.9188  ?   ?  0.000000 2.918842 
1 1 1    6   14   50 o   28.685   3.1894  106.600   21.238  106.600   21.238   0.0000   0.0000   28.685   3.1894  ?   ?  0.000000 3.189408 
1 1 1    6   14   51 o   11.950   2.5340   18.500   6.9288   18.500   6.9288   0.0000   0.0000   11.950   2.5340  ?   ?  0.000000 2.533967 
1 1 1    6   14   52 o   16.821   2.6842   37.000   10.303   37.000   10.303   0.0000   0.0000   16.821   2.6842  ?   ?  0.000000 2.684154 
1 1 1    6   14   53 o   7.0484   2.1743   6.4000   3.9797   6.4000   3.9797   0.0000   0.0000   7.0484   2.1743  ?   ?  0.000000 2.174276 
1 1 1    6   14   54 o   9.1908   2.6106   11.800   5.9313   11.800   5.9313   0.0000   0.0000   9.1908   2.6106  ?   ?  0.000000 2.610592 
1 1 1    6   14   55 f   16.807   2.8648   40.600   10.962   40.600   10.962   0.0000   0.0000   16.807   2.8648  ?   ?  0.000000 2.864806 
1 1 1    6   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   15    0 o  368.266   28.829 16740.80  2471.62 16740.80  2471.62 16740.80  2471.62  368.266   28.829  368.266   28.829 0.000000 0.000000 
1 1 1    6   15    1 o  314.758   15.732 11893.45  1169.28  9718.80  1652.04 14076.40  1655.20  279.928   25.265  339.800   20.727 -59.87170 32.67947 
1 1 1    6   15    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   15    3 o  208.159   10.977  5173.41  537.637  4768.80  760.016  5578.70  760.652  198.470   16.363  215.151   15.067 -16.68076 22.24312 
1 1 1    6   15    4 o  245.384   13.087  7217.88  755.598  7352.70  1068.67  7083.10  1068.48  245.833   18.546  241.115   18.918 4.717728 26.49260 
1 1 1    6   15    5 o  172.048   9.1788  3527.04  371.557  3432.30  525.422  3621.80  525.499  168.871   13.283  173.587   12.913 -4.715729 18.52526 
1 1 1    6   15    6 o  217.517   11.793  5664.12  603.481  6024.50  852.597  5302.30  854.307  222.981   16.306  208.708   17.496 14.27319 23.91617 
1 1 1    6   15    7 o  148.029   7.7137  2607.09  268.699  2442.00  379.127  2773.70  380.873  142.607   11.353  152.182   10.666 -9.575302 15.57713 
1 1 1    6   15    8 o  259.084   14.005  8086.40  853.608  9313.90  1206.94  6857.90  1207.43  276.048   18.625  235.077   22.008 40.97186 28.83073 
1 1 1    6   15    9 o  436.047   23.301 23677.27  2390.58 21969.70  3374.18 25398.30  3387.45  406.414   35.516  440.732   32.784 -34.31802 48.33350 
1 1 1    6   15   10 o   17.838   1.8442   37.983   7.6560   34.000   11.098   41.600   10.575   16.720   2.9170   18.602   2.4684 -1.882029 3.821289 
1 1 1    6   15   11 o  112.363   6.0591  1501.12  160.171  1470.40  226.211  1532.00  226.822  110.791   8.7170  113.132   8.5538 -2.340981 12.21287 
1 1 1    6   15   12 o  268.176   14.733  8737.94  929.398  9438.50  1313.34  8035.20  1315.39  275.296   20.347  252.604   22.281 22.69264 30.17335 
1 1 1    6   15   13 o  310.153   16.317 11772.82  1190.86 13322.40  1685.37 10227.80  1682.89  325.328   22.069  281.924   25.557 43.40393 33.76697 
1 1 1    6   15   14 o   58.133   3.3311  400.905   45.537  360.200   64.363  441.700   64.435   54.914   5.0191   60.915   4.5116 -6.000931 6.748743 
1 1 1    6   15   15 o   69.754   3.8395  577.428   62.998  500.300   88.994  654.900   89.192   64.670   5.8924   74.162   5.1246 -9.491867 7.809036 
1 1 1    6   15   16 o  152.777   7.9641  2789.73  286.319  3081.00  405.350  2499.70  404.485  159.781   10.807  143.456   12.052 16.32439 16.18782 
1 1 1    6   15   17 o  182.281   9.5597  3990.58  410.042  4377.80  580.390  3604.70  579.386  189.588   13.044  171.348   14.454 18.24002 19.46960 
1 1 1    6   15   18 o  385.449   20.831 18843.62  1888.98 21523.20  2673.51 16172.40  2669.33  400.329   28.467  338.635   33.835 61.69308 44.21709 
1 1 1    6   15   19 o  183.831   9.9966  4069.81  432.314  4180.70  610.542  3958.30  612.231  184.556   14.117  179.325   14.584 5.231232 20.29742 
1 1 1    6   15   20 o   43.658   2.6446  226.148   27.136  240.300   38.516  212.200   38.237   44.912   3.6637   42.160   3.8845 2.751759 5.339639 
1 1 1    6   15   21 o   53.618   3.1633  341.259   39.874  336.700   56.444  345.800   56.336   53.105   4.5449   53.833   4.4723 -0.7274742 6.376276 
1 1 1    6   15   22 o   68.741   3.8717  561.383   62.589  590.500   88.540  532.300   88.489   70.310   5.3735   66.688   5.6732 3.622032 7.814075 
1 1 1    6   15   23 o   51.656   3.0477  316.784   37.010  303.000   52.309  330.600   52.370   50.355   4.4448   52.641   4.2493 -2.286041 6.149216 
1 1 1    6   15   24 o  179.398   9.7531  3901.06  411.614  4016.00  581.964  3786.00  582.255  179.724   13.819  174.178   14.282 5.545166 19.87307 
1 1 1    6   15   25 o   80.942   4.5083  780.464   85.826  825.300  121.357  735.600  121.396   82.912   6.2443   78.164   6.6400 4.748627 9.114864 
1 1 1    6   15   26 o   34.141   2.2843  138.482   18.309  141.900   25.960  135.100   25.827   34.456   3.2283   33.604   3.2972 0.8519859 4.614456 
1 1 1    6   15   27 o   62.727   3.6065  468.559   53.195  477.900   75.193  459.200   75.266   63.088   5.0907   61.810   5.2052 1.278519 7.280779 
1 1 1    6   15   28 o  100.403   5.5197  1211.79  130.363  1203.00  184.244  1220.60  184.480   99.105   7.9396   99.855   7.8880 -0.7497101 11.19189 
1 1 1    6   15   29 o  194.261   10.957  4789.17  500.566  4957.40  708.082  4621.10  707.732  190.585   15.878  182.912   16.565 7.672531 22.94625 
1 1 1    6   15   30 o   57.348   3.3238  392.645   44.818  382.500   63.214  402.900   63.553   56.261   4.8042   57.780   4.6986 -1.519131 6.719942 
1 1 1    6   15   31 o  106.975   5.8384  1393.25  146.925  1311.50  207.336  1475.70  208.233  101.930   8.6974  108.552   8.1838 -6.622650 11.94232 
1 1 1    6   15   32 o   39.212   2.5207  183.401   23.217  183.000   32.884  183.800   32.784   38.962   3.6154   39.052   3.5955 -0.8977127E-01 5.098860 
1 1 1    6   15   33 o   66.038   3.7974  524.501   58.967  530.100   83.385  518.900   83.399   65.777   5.4166   65.046   5.4807 0.7308578 7.705751 
1 1 1    6   15   34 o   61.890   3.6044  460.715   52.449  478.600   74.143  442.800   74.205   62.534   5.0644   60.040   5.2879 2.494011 7.321904 
1 1 1    6   15   35 o   32.639   2.2355  127.187   17.126  121.000   24.194  133.400   24.244   31.625   3.2879   33.259   3.1236 -1.634001 4.535066 
1 1 1    6   15   36 o   12.234   1.5811   18.032   4.4609   27.500   6.3316   8.7000   6.2859   15.118   1.8096   8.6175   2.7435 6.500315 3.286518 
1 1 1    6   15   37 o   51.434   3.0665  318.619   37.075  369.700   52.448  267.600   52.416   55.020   4.0656   46.429   4.8527 8.591873 6.330669 
1 1 1    6   15   38 o   18.311   1.7516   40.206   7.4814   36.100   10.588   44.300   10.573   17.153   2.7035   19.109   2.3957 -1.955669 3.612264 
1 1 1    6   15   39 o   36.829   2.3424  163.066   20.266  181.200   28.727  145.100   28.594   38.548   3.1844   34.320   3.5810 4.227810 4.792121 
1 1 1    6   15   40 o   61.314   3.5034  461.562   50.514  520.500   71.521  402.900   71.354   64.109   4.7584   55.747   5.4917 8.362049 7.266484 
1 1 1    6   15   41 o   37.333   2.3491  168.280   20.604  191.900   29.213  144.900   29.064   39.536   3.1554   34.089   3.6683 5.447132 4.838699 
1 1 1    6   15   42 o   46.524   2.8818  264.336   31.503  276.400   44.578  252.300   44.527   46.820   4.0726   44.571   4.2834 2.249203 5.910490 
1 1 1    6   15   43 o   17.156   1.6221   35.418   6.4934   42.500   9.2719   28.600   9.0968   18.688   2.1396   15.154   2.6380 3.534414 3.396591 
1 1 1    6   15   44 o   17.527   1.6631   37.012   6.8008   45.300   9.6696   28.900   9.5667   19.285   2.1605   15.184   2.7702 4.100378 3.513117 
1 1 1    6   15   45 o   29.133   2.0488  102.714   14.004  115.800   19.871   89.800   19.740   30.639   2.7766   26.769   3.1855 3.870646 4.225774 
1 1 1    6   15   46 o   25.272   1.8231   77.200   10.807   93.200   15.406   61.700   15.163   27.560   2.3909   22.145   2.9749 5.414885 3.816635 
1 1 1    6   15   47 o   5.6831   1.8701   3.7476   2.9064   9.1000   3.8211  -3.6000   4.4769   8.5127   1.9436   4.1557   1.9244 4.357012 2.735165 
1 1 1    6   15   48 o   14.443   1.9283   25.723   6.4125   38.600   8.9122   11.900   9.2336   17.648   2.1853   9.8390   3.3351 7.809127 3.987296 
1 1 1    6   15   49 o   31.284   3.3458  127.200   24.333  127.200   24.333   0.0000   0.0000   31.284   3.3458  ?   ?  0.000000 3.345755 
1 1 1    6   15   50 o   19.778   2.6937   49.900   12.253   49.900   12.253   0.0000   0.0000   19.778   2.6937  ?   ?  0.000000 2.693737 
1 1 1    6   15   51 o   4.9021   1.8004   2.4000   2.7335   2.4000   2.7335   0.0000   0.0000   4.9021   1.8004  ?   ?  0.000000 1.800368 
1 1 1    6   15   52 o   9.8300   2.4918   12.800   5.7916   12.800   5.7916   0.0000   0.0000   9.8300   2.4918  ?   ?  0.000000 2.491763 
1 1 1    6   15   53 o   3.5708   1.5497  -0.2000   2.4234  -0.2000   2.4234   0.0000   0.0000   3.5708   1.5497  ?   ?  0.000000 1.549688 
1 1 1    6   15   54 o   14.442   2.7228   29.200   8.9447   29.200   8.9447   0.0000   0.0000   14.442   2.7228  ?   ?  0.000000 2.722789 
1 1 1    6   15   55 o   7.6552   2.4815   8.1000   5.1253   8.1000   5.1253   0.0000   0.0000   7.6552   2.4815  ?   ?  0.000000 2.481520 
1 1 1    6   15   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   16    0 o   46.793   4.1383  264.700   44.903  264.700   44.903  264.700   44.903   46.793   4.1383   46.793   4.1383 0.000000 0.000000 
1 1 1    6   16    1 o  411.570   21.040 20750.81  2037.98 17230.60  2879.13 24285.80  2885.17  364.666   33.820  439.372   27.954 -74.70605 43.87715 
1 1 1    6   16    2 o   94.144   5.1199  1051.75  113.392  1109.90  160.430  993.700  160.291   96.504   7.0897   91.229   7.5073 5.274841 10.32588 
1 1 1    6   16    3 o  201.126   10.668  4833.92  504.842  4562.70  713.717  5105.50  714.194  194.024   15.713  205.596   14.810 -11.57164 21.59237 
1 1 1    6   16    4 o  106.313   5.7581  1342.09  144.013  1272.60  203.645  1411.60  203.684  103.172   8.4326  108.761   7.9867 -5.589462 11.61453 
1 1 1    6   16    5 o  394.234   32.239 20116.10  2974.98 20116.10  2974.98   0.0000   0.0000  394.234   32.239  ?   ?  0.000000 32.23919 
1 1 1    6   16    6 o  227.296   11.707  6192.30  626.191  5345.70  884.009  7044.90  887.136  208.951   18.095  241.091   15.668 -32.14095 23.93557 
1 1 1    6   16    7 o  210.900   11.296  5331.21  560.515  5333.70  791.683  5328.70  793.697  209.337   16.140  209.218   16.192 0.1186676 22.86198 
1 1 1    6   16    8 o  155.495   8.1871  2882.27  299.555  2525.10  423.176  3241.00  424.096  144.563   12.520  164.306   10.994 -19.74272 16.66215 
1 1 1    6   16    9 o   61.477   3.5553  448.339   51.392  481.100   72.637  415.500   72.723   63.565   4.8764   58.999   5.2756 4.566360 7.184060 
1 1 1    6   16   10 o  168.873   9.1639  3409.89  364.060  3673.40  514.527  3145.70  515.191  174.351   12.582  160.928   13.687 13.42253 18.59165 
1 1 1    6   16   11 o  217.934   11.754  5719.26  602.642  6409.00  852.168  5029.20  852.362  228.949   15.860  201.628   18.095 27.32097 24.06184 
1 1 1    6   16   12 o   92.376   5.1381  1014.05  111.636  1077.20  157.689  950.600  158.067   94.950   7.0840   89.082   7.5866 5.868591 10.37977 
1 1 1    6   16   13 o  160.649   8.6220  3086.40  325.882  3101.20  460.859  3071.60  460.874  159.995   12.292  159.204   12.356 0.7910156 17.42917 
1 1 1    6   16   14 o  145.411   7.6211  2524.24  260.775  2827.00  369.073  2222.40  368.509  153.244   10.258  135.402   11.639 17.84151 15.51431 
1 1 1    6   16   15 o  101.631   5.4534  1228.49  130.398  1346.70  184.532  1110.60  184.288  106.105   7.4116   96.159   8.1942 9.946053 11.04881 
1 1 1    6   16   16 o   98.444   5.4027  1152.94  125.111  1217.60  176.882  1088.20  176.985  100.834   7.4821   95.207   7.9449 5.627434 10.91346 
1 1 1    6   16   17 o  311.572   17.101 12042.81  1253.40 12470.30  1773.08 11615.80  1772.07  309.448   24.464  297.455   25.475 11.99243 35.31951 
1 1 1    6   16   18 o   69.640   3.2619  573.638   53.641  753.700   76.238  397.100   75.488   79.682   4.0653   57.569   5.6248 22.11322 6.940114 
1 1 1    6   16   19 o   91.053   5.0656  986.283  108.484  1060.70  153.283  911.600  153.556   94.135   6.9447   87.119   7.5386 7.015984 10.24991 
1 1 1    6   16   20 o  142.446   7.5258  2427.57  252.243  2706.40  356.969  2149.50  356.482  149.639   10.163  132.845   11.477 16.79364 15.32943 
1 1 1    6   16   21 o  172.747   8.9977  3590.24  365.762  4049.30  517.750  3132.90  516.783  182.145   12.107  159.288   13.878 22.85794 18.41646 
1 1 1    6   16   22 o  118.764   6.3509  1684.42  177.463  1834.80  251.121  1534.40  250.821  123.378   8.6747  112.529   9.5288 10.84882 12.88598 
1 1 1    6   16   23 o  147.978   8.0151  2632.93  279.026  2779.10  394.564  2486.70  394.640  150.786   11.161  142.281   11.854 8.504913 16.28108 
1 1 1    6   16   24 o  173.390   9.4237  3646.37  384.393  3931.20  543.592  3361.50  543.637  177.947   13.027  163.730   14.202 14.21700 19.27162 
1 1 1    6   16   25 o   41.460   2.6015  204.197   25.341  226.800   35.840  181.600   35.835   43.602   3.5107   38.922   3.9538 4.679398 5.287502 
1 1 1    6   16   26 o   73.378   4.0851  641.770   70.503  619.900   99.526  663.800   99.889   71.738   5.9284   74.296   5.7381 -2.557953 8.250555 
1 1 1    6   16   27 o  128.097   7.0644  1987.85  212.860  2020.90  300.575  1954.60  301.485  127.522   10.063  125.266   10.283 2.256790 14.38799 
1 1 1    6   16   28 o  104.496   5.6757  1316.12  139.524  1253.10  197.119  1379.40  197.516  100.762   8.3600  105.962   7.9519 -5.199249 11.53789 
1 1 1    6   16   29 o  140.042   7.7847  2415.38  256.414  2458.70  362.499  2372.00  362.750  138.310   11.195  135.602   11.435 2.708755 16.00317 
1 1 1    6   16   30 o   68.062   3.8738  554.998   62.002  525.200   87.680  584.800   87.687   65.644   5.7134   69.408   5.3925 -3.764259 7.856347 
1 1 1    6   16   31 o   7.1070   1.6231   6.2172   2.6641   7.1000   3.9790   5.5000   3.5866   7.6309   2.1280   6.7952   2.0580 0.8357301 2.960375 
1 1 1    6   16   32 o   94.838   5.3267  1095.67  118.807  1131.90  167.967  1059.40  168.070   94.950   7.5539   91.631   7.8431 3.318634 10.88926 
1 1 1    6   16   33 o   29.508   2.1161  103.850   14.647  104.500   20.714  103.200   20.714   29.449   3.0216   29.259   3.0426 0.1899471 4.288063 
1 1 1    6   16   34 o   51.659   3.0827  319.936   37.434  313.400   52.884  326.500   52.995   50.710   4.4619   51.797   4.3737 -1.087254 6.247977 
1 1 1    6   16   35 o   34.601   2.3196  143.045   18.842  139.000   26.630  147.100   26.664   33.883   3.3732   34.889   3.2748 -1.006401 4.701375 
1 1 1    6   16   36 o   14.724   1.6412   26.021   5.6090   22.600   7.8993   29.500   7.9657   13.547   2.5632   15.592   2.2268 -2.044425 3.395354 
1 1 1    6   16   37 f   95.310   5.3538  1135.10  120.006  1256.10  169.818  1014.40  169.610   97.880   7.4020   86.719   8.3876 11.16109 11.18663 
1 1 1    6   16   38 o   19.258   1.7104   44.425   7.6970   51.400   10.945   37.600   10.827   20.618   2.2865   17.502   2.7070 3.115602 3.543475 
1 1 1    6   16   39 o   26.670   2.0120   85.392   12.577   87.500   17.821   83.300   17.753   26.777   2.8629   26.099   2.9314 0.6780739 4.097466 
1 1 1    6   16   40 o   26.060   1.8813   81.483   11.499   98.400   16.343   64.900   16.181   28.500   2.4523   22.923   3.0662 5.577181 3.926270 
1 1 1    6   16   41 o   20.104   1.7907   48.627   8.4120   50.300   11.982   47.000   11.813   20.257   2.5621   19.554   2.6246 0.7035980 3.667796 
1 1 1    6   16   42 o   44.422   2.7250  240.322   28.446  261.700   40.302  219.100   40.155   45.744   3.7645   41.587   4.1442 4.156769 5.598712 
1 1 1    6   16   43 o   7.9056   1.7523   7.7573   3.1854   5.2000   4.6601  10.0000   4.3640   6.8664   2.3683   8.9491   2.1011 -2.082733 3.165973 
1 1 1    6   16   44 f   25.261   1.9225   76.972   11.382   87.400   16.157   66.700   16.036   26.705   2.5949   23.148   3.0045 3.556253 3.969974 
1 1 1    6   16   45 o   36.763   2.3976  164.929   20.700  179.200   29.347  150.800   29.201   37.777   3.3237   34.425   3.6479 3.352177 4.934970 
1 1 1    6   16   46 o   29.479   2.0460  105.628   14.154  121.200   20.096   90.300   19.938   31.236   2.7527   26.680   3.2307 4.556507 4.244354 
1 1 1    6   16   47 o   27.152   2.1995   90.479   13.981  110.600   19.662   69.900   19.884   29.677   2.8405   22.999   3.7937 6.677904 4.739222 
1 1 1    6   16   48 o   26.596   2.1354   86.982   13.298  108.200   18.748   65.500   18.864   29.319   2.7397   22.165   3.7370 7.153805 4.633735 
1 1 1    6   16   49 o   23.426   2.8681   70.000   15.534   70.000   15.534   0.0000   0.0000   23.426   2.8681  ?   ?  0.000000 2.868113 
1 1 1    6   16   50 o   7.5810   2.3070   7.2000   4.4992   7.2000   4.4992   0.0000   0.0000   7.5810   2.3070  ?   ?  0.000000 2.307015 
1 1 1    6   16   51 o   21.374   2.8353   59.500   13.957   59.500   13.957   0.0000   0.0000   21.374   2.8353  ?   ?  0.000000 2.835332 
1 1 1    6   16   52 o   22.013   2.9041   65.000   14.727   65.000   14.727   0.0000   0.0000   22.013   2.9041  ?   ?  0.000000 2.904080 
1 1 1    6   16   53 o   8.7825   2.4279   10.500   5.2034   10.500   5.2034   0.0000   0.0000   8.7825   2.4279  ?   ?  0.000000 2.427866 
1 1 1    6   16   54 o   11.077   2.6231   17.300   6.7551   17.300   6.7551   0.0000   0.0000   11.077   2.6231  ?   ?  0.000000 2.623110 
1 1 1    6   16   55 o   10.905   2.7701   17.400   7.1473   17.400   7.1473   0.0000   0.0000   10.905   2.7701  ?   ?  0.000000 2.770109 
1 1 1    6   16   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   17    0 o   71.501   5.8341  616.500   96.994  616.500   96.994  616.500   96.994   71.501   5.8341   71.501   5.8341 0.000000 0.000000 
1 1 1    6   17    1 o  185.983   9.8655  4131.96  431.717  3872.70  610.310  4391.60  610.769  178.799   14.582  190.761   13.649 -11.96153 19.97342 
1 1 1    6   17    2 o  216.348   11.548  5610.70  587.807  5353.40  831.198  5868.10  831.372  209.505   16.947  219.724   16.136 -10.21834 23.40019 
1 1 1    6   17    3 o  346.492   18.480 14675.14  1506.55 15991.00  2131.76 13362.20  2129.40  356.355   25.502  323.414   28.164 32.94022 37.99414 
1 1 1    6   17    4 o   52.327   3.0909  324.716   38.022  357.100   53.800  292.400   53.744   54.789   4.1902   49.495   4.6530 5.294006 6.261621 
1 1 1    6   17    5 o   97.845   5.3572  1137.02  123.306  1060.40  174.351  1213.70  174.412   94.142   7.9164  100.844   7.3754 -6.701599 10.81974 
1 1 1    6   17    6 o  381.754   21.244 18079.95  1907.47 18703.80  2694.55 17453.30  2700.59  378.994   30.364  364.555   31.687 14.43857 43.88609 
1 1 1    6   17    7 o   46.741   2.8743  259.153   31.570  271.100   44.549  247.100   44.745   47.710   3.9910   45.509   4.2115 2.200089 5.802121 
1 1 1    6   17    8 o  124.623   6.6864  1848.50  196.048  2143.50  277.299  1553.70  277.209  133.848   8.8230  113.527   10.458 20.32084 13.68278 
1 1 1    6   17    9 o   26.937   1.9882   86.181   12.557  116.800   17.779   55.700   17.739   31.348   2.4206   21.407   3.6395 9.941381 4.370980 
1 1 1    6   17   10 o   77.016   4.2726  704.088   77.398  690.300  109.214  718.000  109.703   76.038   6.1347   77.572   6.0365 -1.533539 8.606661 
1 1 1    6   17   11 o  227.306   12.126  6235.36  648.494  6070.70  915.613  6401.10  918.613  221.627   17.642  227.859   17.199 -6.232056 24.63834 
1 1 1    6   17   12 o   91.193   4.9497  988.089  106.186  951.700  149.840  1024.80  150.502   89.179   7.1762   92.601   6.9331 -3.421822 9.978222 
1 1 1    6   17   13 o  198.760   10.563  4753.41  493.991  5100.50  698.950  4407.00  698.266  204.206   14.591  189.190   15.774 15.01596 21.48754 
1 1 1    6   17   14 o  238.560   12.846  6906.76  720.992  7157.30  1019.93  6656.50  1019.35  239.677   18.156  230.607   18.885 9.069244 26.19677 
1 1 1    6   17   15 o   71.659   3.6852  609.183   62.147  723.100   88.170  496.700   87.613   77.969   4.8124   64.429   5.8215 13.53963 7.553126 
1 1 1    6   17   16 o   90.346   4.9509  970.460  105.220  1153.90  148.821  787.100  148.788   98.319   6.4457   80.865   7.8926 17.45433 10.19019 
1 1 1    6   17   17 o  131.704   6.9593  2070.37  215.665  2295.00  305.219  1846.40  304.775  138.082   9.4170  123.471   10.555 14.61124 14.14498 
1 1 1    6   17   18 o   26.262   1.9453   81.933   11.978   91.000   17.003   73.000   16.876   27.620   2.6392   24.671   2.9557 2.948942 3.962539 
1 1 1    6   17   19 o   59.507   3.4274  420.380   47.958  431.100   67.885  409.700   67.760   60.106   4.8236   58.569   4.9457 1.536869 6.908464 
1 1 1    6   17   20 o   79.435   4.4137  750.193   82.464  755.800  116.689  744.600  116.554   79.455   6.2703   78.853   6.3125 0.6020355 8.897426 
1 1 1    6   17   21 o   38.931   2.5328  179.949   23.158  208.400   32.722  151.400   32.778   41.831   3.3405   35.531   3.9749 6.300251 5.192187 
1 1 1    6   17   22 o  248.842   13.861  7664.00  811.231  8015.30  1146.20  7311.40  1148.31  248.832   19.667  236.411   20.781 12.42096 28.61203 
1 1 1    6   17   23 o  170.572   8.8111  3514.89  353.684  4035.90  500.791  2996.40  499.581  181.236   11.765  154.906   13.802 26.32999 18.13629 
1 1 1    6   17   24 o   63.976   3.6405  486.783   54.770  462.600   77.430  511.000   77.484   62.099   5.3320   65.338   5.0616 -3.238415 7.351893 
1 1 1    6   17   25 o   79.404   4.4312  752.103   82.755  755.300  116.972  748.900  117.095   79.162   6.3099   78.815   6.3454 0.3467331 8.948702 
1 1 1    6   17   26 o   43.892   2.6970  229.031   27.817  221.000   39.293  237.100   39.386   42.946   3.9178   44.516   3.7827 -1.570210 5.445851 
1 1 1    6   17   27 o  137.420   7.5778  2303.24  244.948  2347.30  346.243  2259.10  346.576  136.502   10.831  133.709   11.077 2.793381 15.49180 
1 1 1    6   17   28 o  123.642   6.6112  1858.92  192.322  2095.80  272.232  1622.90  271.737  129.778   8.9378  113.200   10.278 16.57769 13.62052 
1 1 1    6   17   29 o  101.948   5.6270  1258.86  134.938  1170.10  190.783  1347.70  190.878   96.774   8.4330  104.303   7.8065 -7.529274 11.49163 
1 1 1    6   17   30 o   77.331   4.3155  719.338   78.489  677.400  110.919  761.400  111.082   74.223   6.3908   78.897   6.0076 -4.673470 8.771183 
1 1 1    6   17   31 o   19.219   1.7438   44.094   7.8274   46.800   11.188   41.500   10.955   19.702   2.4582   18.515   2.5756 1.187128 3.560400 
1 1 1    6   17   32 o   60.925   3.5367  445.549   50.662  444.900   71.570  446.200   71.723   60.366   5.0678   60.453   5.0711 -0.8739853E-01 7.169281 
1 1 1    6   17   33 o   55.039   3.1669  363.068   40.986  404.800   58.021  321.500   57.906   57.781   4.2829   51.267   4.8405 6.513718 6.463263 
1 1 1    6   17   34 o   9.4729   1.5580   10.906   3.3640   13.300   4.8574   8.7000   4.6634   10.406   2.0496   8.4186   2.2866 1.987617 3.070773 
1 1 1    6   17   35 o   20.026   1.7874   47.947   8.3632   48.800   11.845   47.100   11.810   20.075   2.5567   19.708   2.6013 0.3672161 3.647393 
1 1 1    6   17   36 o   34.186   2.2400  139.772   17.982  156.900   25.489  122.800   25.373   36.046   3.0225   31.749   3.4393 4.297152 4.578658 
1 1 1    6   17   37 o   40.303   2.5196  195.083   23.859  210.000   33.818  180.300   33.666   41.511   3.4822   38.340   3.7672 3.170891 5.130093 
1 1 1    6   17   38 o   7.4740   1.6542   6.8999   2.8423   7.6000   4.1842   6.3000   3.8730   7.8586   2.1789   7.2080   2.1285 0.6506796 3.045993 
1 1 1    6   17   39 o   15.407   1.6660   28.575   5.9646   30.300   8.4971   26.900   8.3748   15.726   2.3610   14.769   2.4899 0.9571362 3.431311 
1 1 1    6   17   40 o   60.869   3.4340  455.934   49.156  520.000   69.663  392.400   69.372   63.968   4.6435   54.823   5.4301 9.144344 7.144826 
1 1 1    6   17   41 o   21.239   1.7704   54.223   8.7983   66.100   12.483   42.500   12.402   23.334   2.2954   18.479   2.9408 4.854700 3.730576 
1 1 1    6   17   42 f   18.610   1.7446   41.722   7.5772   44.700   10.767   38.800   10.665   19.094   2.4441   17.716   2.6292 1.377506 3.589752 
1 1 1    6   17   43 o   28.223   2.0364   96.132   13.481  106.700   19.127   85.700   19.003   29.475   2.7810   26.253   3.1269 3.222153 4.184628 
1 1 1    6   17   44 o   11.386   1.6766   15.823   4.3729   15.100   6.2879   16.500   6.0854   10.945   2.4891   11.484   2.3239 -0.5387163 3.405283 
1 1 1    6   17   45 o   7.5089   1.7098   7.0249   2.9638   5.4000   4.2965   8.5000   4.0937   6.8320   2.2749   8.2321   2.0994 -1.400023 3.095614 
1 1 1    6   17   46 o   22.784   1.7926   62.868   9.5667   73.400   13.616   52.600   13.444   24.401   2.3939   20.428   2.8660 3.973063 3.734259 
1 1 1    6   17   47 o   17.334   1.8156   36.687   7.3212   42.100   10.273   31.100   10.437   18.357   2.4295   15.530   2.9539 2.826388 3.824700 
1 1 1    6   17   48 o   18.164   1.8377   40.374   7.7738   44.500   10.898   36.100   11.093   18.805   2.5173   16.734   2.9131 2.070974 3.850079 
1 1 1    6   17   49 o   12.474   2.4584   19.900   6.9838   19.900   6.9838   0.0000   0.0000   12.474   2.4584  ?   ?  0.000000 2.458386 
1 1 1    6   17   50 o   20.931   2.7492   56.200   13.259   56.200   13.259   0.0000   0.0000   20.931   2.7492  ?   ?  0.000000 2.749199 
1 1 1    6   17   51 o   23.413   2.9272   72.200   15.830   72.200   15.830   0.0000   0.0000   23.413   2.9272  ?   ?  0.000000 2.927179 
1 1 1    6   17   52 o   9.2660   2.4105   11.500   5.3245   11.500   5.3245   0.0000   0.0000   9.2660   2.4105  ?   ?  0.000000 2.410523 
1 1 1    6   17   53 o   12.902   2.5847   22.900   7.6002   22.900   7.6002   0.0000   0.0000   12.902   2.5847  ?   ?  0.000000 2.584680 
1 1 1    6   17   54 o   11.288   2.7309   18.300   7.1999   18.300   7.1999   0.0000   0.0000   11.288   2.7309  ?   ?  0.000000 2.730893 
1 1 1    6   17   55 o   4.7738   1.9950   1.2000   3.7582   1.2000   3.7582   0.0000   0.0000   4.7738   1.9950  ?   ?  0.000000 1.995024 
1 1 1    6   18    0 o   70.293   5.7457  596.000   93.905  596.000   93.905  596.000   93.905   70.293   5.7457   70.293   5.7457 0.000000 0.000000 
1 1 1    6   18    1 o  193.824   10.285  4498.24  469.066  3760.80  663.198  5236.40  663.521  175.330   16.202  208.125   13.575 -32.79437 21.13742 
1 1 1    6   18    2 o  182.444   9.7578  3981.68  418.857  3871.30  592.301  4092.10  592.405  178.615   14.159  183.805   13.749 -5.190155 19.73581 
1 1 1    6   18    3 o   27.747   1.9555   91.389   12.730  102.500   18.268   80.900   17.750   29.332   2.6667   25.998   2.9431 3.334103 3.971543 
1 1 1    6   18    4 o  183.360   9.9521  4025.47  429.289  4227.20  606.399  3822.80  607.815  186.718   13.852  177.234   14.655 9.483994 20.16534 
1 1 1    6   18    5 o  218.609   11.082  5737.27  570.185  5076.70  804.201  6405.00  808.545  203.370   16.899  229.468   15.004 -26.09805 22.59904 
1 1 1    6   18    6 o   76.490   4.2054  694.333   75.667  662.400  106.733  726.600  107.288   74.487   6.1224   78.070   5.8626 -3.582924 8.476631 
1 1 1    6   18    7 o  144.279   7.8364  2483.49  265.981  2561.50  375.574  2405.00  376.736  145.815   10.988  141.157   11.400 4.657883 15.83340 
1 1 1    6   18    8 o  213.493   11.573  5488.11  581.268  5833.20  821.610  5142.30  822.465  218.198   16.059  204.247   17.213 13.95108 23.54121 
1 1 1    6   18    9 o  180.218   9.5177  3890.60  403.597  3712.80  569.661  4069.80  571.889  174.611   13.932  183.094   13.319 -8.483383 19.27406 
1 1 1    6   18   10 o   71.824   3.9967  612.296   67.517  700.900   95.539  523.900   95.427   76.719   5.3063   66.156   6.1801 10.56302 8.145570 
1 1 1    6   18   11 o   30.692   2.1601  111.847   15.556  116.000   22.006  107.700   21.993   31.178   3.0273   30.017   3.1497 1.160891 4.368637 
1 1 1    6   18   12 o  368.519   20.846 17113.46  1806.57 18560.40  2553.72 15663.90  2556.03  372.760   29.247  337.920   32.431 34.84021 43.67086 
1 1 1    6   18   13 o   76.181   4.3130  689.370   77.268  727.200  109.101  651.300  109.446   78.041   5.9655   73.775   6.3442 4.266342 8.708357 
1 1 1    6   18   14 o  129.169   7.0223  1991.12  213.386  2326.30  301.718  1655.70  301.828  139.132   9.2361  116.791   11.077 22.34058 14.42219 
1 1 1    6   18   15 o  183.958   9.5799  4066.05  414.704  4611.70  586.966  3522.20  585.997  194.632   12.844  169.124   14.823 25.50842 19.61311 
1 1 1    6   18   16 o  119.558   5.8388  1697.37  164.839  2028.00  233.734  1370.20  232.506  130.204   7.6355  106.558   9.3344 23.64594 12.05957 
1 1 1    6   18   17 o  199.854   10.123  4811.84  476.190  5658.50  674.199  3969.00  672.674  215.229   13.331  178.713   16.113 36.51622 20.91305 
1 1 1    6   18   18 o   82.011   4.5479  799.554   87.728  794.000  124.107  805.100  124.025   81.434   6.5084   82.014   6.4563 -0.5798492 9.167525 
1 1 1    6   18   19 o  161.444   8.6177  3131.14  327.341  3345.60  463.157  2917.10  462.704  165.622   11.922  154.209   12.823 11.41254 17.50916 
1 1 1    6   18   20 o  140.461   7.5715  2363.86  250.202  2437.10  353.927  2290.70  353.751  141.628   10.661  137.154   11.016 4.473785 15.32969 
1 1 1    6   18   21 o  216.102   11.094  5685.74  564.226  6693.50  798.816  4682.40  797.061  231.957   14.659  191.518   17.829 40.43900 23.08220 
1 1 1    6   18   22 o   20.422   1.8249   49.675   8.7077   31.300   12.323   68.000   12.306   15.959   3.3755   23.882   2.2071 -7.923537 4.033048 
1 1 1    6   18   23 o  145.624   7.8974  2557.78  270.553  2616.00  382.677  2499.60  382.562  145.744   11.205  142.302   11.483 3.442856 16.04393 
1 1 1    6   18   24 o   24.543   1.9450   71.658   11.180   70.500   15.869   72.800   15.753   24.239   2.8256   24.646   2.7539 -0.4073067 3.945625 
1 1 1    6   18   25 o   85.750   4.7329  878.863   95.464  959.600  135.037  798.200  134.975   89.158   6.4577   81.076   7.1224 8.082397 9.614067 
1 1 1    6   18   26 o  117.832   6.4227  1677.59  178.033  1855.80  251.819  1499.50  251.734  122.782   8.7425  109.718   9.8202 13.06448 13.14796 
1 1 1    6   18   27 o   63.594   3.6466  482.795   54.532  474.100   77.098  491.500   77.142   62.647   5.2604   63.820   5.1631 -1.172951 7.370852 
1 1 1    6   18   28 o   30.832   2.1630  113.147   15.648  115.600   22.145  110.700   22.114   31.042   3.0609   30.359   3.1296 0.6827393 4.377592 
1 1 1    6   18   29 o  107.088   5.8468  1394.91  147.291  1323.60  208.092  1466.50  208.511  102.527   8.6767  108.293   8.2152 -5.765999 11.94877 
1 1 1    6   18   30 o   76.413   4.3302  703.565   77.812  714.900  109.972  692.200  110.114   76.254   6.1600   74.969   6.2779 1.284798 8.795304 
1 1 1    6   18   31 o   53.256   3.1598  339.445   39.559  344.600   55.972  334.300   55.919   53.299   4.4890   52.470   4.5586 0.8297043 6.397746 
1 1 1    6   18   32 o   21.156   1.8006   53.418   8.9095   59.400   12.634   47.500   12.566   22.223   2.4483   19.786   2.7651 2.437017 3.693202 
1 1 1    6   18   33 o   15.795   1.6692   29.886   6.1313   32.300   8.6968   27.500   8.6455   16.325   2.3214   15.001   2.5307 1.324491 3.434163 
1 1 1    6   18   34 o   45.629   2.7709  249.361   29.714  266.600   42.070  232.200   41.973   46.889   3.8331   43.648   4.1212 3.241158 5.628195 
1 1 1    6   18   35 o   37.043   2.4137  164.191   20.998  171.600   29.714  156.800   29.677   37.639   3.3791   35.921   3.5449 1.718739 4.897461 
1 1 1    6   18   36 o   37.112   2.4279  165.145   21.159  154.700   29.916  175.600   29.931   35.584   3.6104   38.011   3.3696 -2.427765 4.938521 
1 1 1    6   18   37 f   60.974   3.5190  452.873   50.452  490.400   71.423  415.500   71.277   62.597   4.8703   57.273   5.3316 5.324348 7.221204 
1 1 1    6   18   38 o   32.114   2.2287  123.998   16.796  126.600   23.762  121.400   23.746   32.161   3.1701   31.462   3.2427 0.6991692 4.534777 
1 1 1    6   18   39 o   23.078   1.9034   64.006   10.280   60.900   14.552   67.100   14.524   22.271   2.8312   23.440   2.6717 -1.168634 3.892746 
1 1 1    6   18   40 o   49.644   3.0200  301.159   35.235  310.300   49.941  292.100   49.718   49.544   4.3118   47.967   4.4399 1.577816 6.188999 
1 1 1    6   18   41 o   35.209   2.3148  149.864   19.138  166.600   27.135  133.300   26.996   36.774   3.1554   32.682   3.5554 4.092186 4.753693 
1 1 1    6   18   42 o   14.690   1.5204   25.974   5.1974   37.300   7.4796   15.400   7.2273   17.568   1.8298   11.045   2.7747 6.523553 3.323745 
1 1 1    6   18   43 o   13.679   1.6117   22.634   5.1062   26.400   7.3392   19.100   7.1088   14.655   2.1878   12.343   2.5242 2.312574 3.340345 
1 1 1    6   18   44 o   12.368   1.5319   18.541   4.3783   25.500   6.2902   12.000   6.0980   14.453   1.8883   9.7475   2.6010 4.705195 3.214154 
1 1 1    6   18   45 o   16.180   1.6458   31.700   6.2006   39.200   8.8287   24.400   8.7103   17.871   2.1343   13.856   2.7592 4.015734 3.488301 
1 1 1    6   18   46 o   15.646   1.7554   29.832   6.3735   37.300   8.9942   22.300   9.0330   17.359   2.2469   13.128   2.9818 4.231260 3.733594 
1 1 1    6   18   47 o   29.096   2.2601  104.345   15.406  129.700   21.705   78.600   21.871   32.038   2.9005   24.202   3.9644 7.836435 4.912153 
1 1 1    6   18   48 o   28.788   2.2499  102.380   15.173  127.900   21.383   76.500   21.533   31.761   2.8824   23.779   3.9752 7.981909 4.910242 
1 1 1    6   18   49 o   27.512   3.1191   98.000   19.906   98.000   19.906   0.0000   0.0000   27.512   3.1191  ?   ?  0.000000 3.119128 
1 1 1    6   18   50 o   23.884   2.9379   74.200   16.220   74.200   16.220   0.0000   0.0000   23.884   2.9379  ?   ?  0.000000 2.937915 
1 1 1    6   18   51 o   11.790   2.5389   18.400   6.8591   18.400   6.8591   0.0000   0.0000   11.790   2.5389  ?   ?  0.000000 2.538861 
1 1 1    6   18   52 o  ?   ?   -4.3000   0.7035  -4.3000   0.7035   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   18   53 o   7.0890   2.4301   6.5000   4.9029   6.5000   4.9029   0.0000   0.0000   7.0890   2.4301  ?   ?  0.000000 2.430120 
1 1 1    6   18   54 o   3.3294   1.5337  -1.8000   2.7888  -1.8000   2.7888   0.0000   0.0000   3.3294   1.5337  ?   ?  0.000000 1.533663 
1 1 1    6   18   55 o   8.9580   2.6756   11.700   6.0931   11.700   6.0931   0.0000   0.0000   8.9580   2.6756  ?   ?  0.000000 2.675568 
1 1 1    6   19    0 o   6.7595   3.0270   7.8000   5.1482   7.8000   5.1482   7.8000   5.1482   6.7595   3.0270   6.7595   3.0270 0.000000 0.000000 
1 1 1    6   19    1 o  127.739   6.3788  1936.02  192.409  1538.10  271.740  2336.10  272.478  112.964   10.300  139.844   8.2883 -26.87955 13.22096 
1 1 1    6   19    2 o  201.019   10.470  4847.16  495.272  4510.10  698.988  5187.00  701.861  192.069   15.545  206.512   14.484 -14.44289 21.24722 
1 1 1    6   19    3 o  109.411   5.6254  1422.57  144.846  1260.50  204.168  1586.80  205.524  102.526   8.5101  115.277   7.5927 -12.75106 11.40482 
1 1 1    6   19    4 o  154.335   8.3518  2844.79  303.242  2946.30  428.442  2742.90  429.257  156.229   11.699  150.571   12.177 5.657578 16.88615 
1 1 1    6   19    5 o  174.621   9.4474  3651.17  388.110  3732.10  547.964  3569.70  549.781  175.354   13.333  171.345   13.703 4.009552 19.11916 
1 1 1    6   19    6 o  121.537   6.6016  1758.93  188.751  1967.10  266.882  1550.60  266.988  128.128   8.8756  113.429   10.073 14.69926 13.42520 
1 1 1    6   19    7 o   80.220   4.4592  764.150   84.136  902.900  118.986  625.400  118.986   87.061   5.8213   72.202   7.0695 14.85857 9.157855 
1 1 1    6   19    8 o  141.027   7.5596  2373.33  250.831  2332.30  354.207  2414.60  355.253  139.015   10.877  141.506   10.711 -2.491486 15.26549 
1 1 1    6   19    9 f  176.866   9.2470  3748.36  384.852  3522.10  542.963  3976.80  545.573  169.964   13.644  180.978   12.850 -11.01352 18.74204 
1 1 1    6   19   10 o  200.308   10.857  4832.73  511.628  5395.70  723.374  4269.20  723.729  210.010   14.679  185.739   16.679 24.27133 22.21847 
1 1 1    6   19   11 o  120.327   6.6098  1725.90  187.087  1846.90  264.307  1604.40  264.857  123.973   9.0920  115.328   9.8190 8.644440 13.38198 
1 1 1    6   19   12 o  137.766   7.4648  2266.75  241.935  2295.20  341.558  2238.10  342.740  137.847   10.574  136.059   10.756 1.788193 15.08260 
1 1 1    6   19   13 o   58.697   3.1830  408.642   43.954  469.800   62.344  348.200   61.978   62.849   4.2253   53.981   4.9161 8.868237 6.482396 
1 1 1    6   19   14 o   80.294   4.4490  765.990   84.024  779.500  118.872  752.500  118.785   80.752   6.2834   79.315   6.3967 1.437233 8.966506 
1 1 1    6   19   15 o  135.689   7.2252  2198.95  230.669  2353.70  326.423  2044.60  326.008  139.693   9.9609  129.926   10.722 9.766464 14.63475 
1 1 1    6   19   16 o  144.758   7.7082  2506.77  262.536  2689.10  371.519  2324.90  371.046  149.091   10.622  138.296   11.465 10.79581 15.62974 
1 1 1    6   19   17 o  128.326   6.2821  1958.54  190.364  2383.40  269.729  1536.90  268.704  140.990   8.1363  112.571   10.220 28.41896 13.06306 
1 1 1    6   19   18 o  212.932   11.087  5496.84  555.528  6190.80  786.409  4805.60  784.862  223.649   14.977  195.512   17.174 28.13663 22.78782 
1 1 1    6   19   19 o  129.293   6.3090  1990.08  192.618  2470.40  272.838  1512.80  271.971  143.456   8.0872  111.476   10.454 31.98033 13.21703 
1 1 1    6   19   20 o   93.788   4.9205  1047.22  108.593  1205.20  153.834  890.300  153.315  100.331   6.5287   85.931   7.6352 14.39985 10.04589 
1 1 1    6   19   21 o  151.573   8.0934  2765.83  288.632  2968.00  408.457  2564.20  407.918  155.693   11.185  144.225   12.089 11.46738 16.46937 
1 1 1    6   19   22 o   77.612   4.2102  717.002   76.871  801.500  108.872  633.000  108.553   81.813   5.6705   72.510   6.4058 9.303543 8.555037 
1 1 1    6   19   23 o  118.490   6.4310  1686.23  179.265  1740.10  253.692  1632.50  253.347  119.392   9.0662  115.492   9.3705 3.899529 13.03852 
1 1 1    6   19   24 o   21.422   1.8331   54.650   9.1835   48.400   12.987   60.900   12.987   20.019   2.8260   22.548   2.4802 -2.529242 3.760011 
1 1 1    6   19   25 o   93.860   5.1768  1056.63  114.293  1014.70  161.601  1098.60  161.668   91.166   7.5753   95.007   7.2612 -3.840736 10.49334 
1 1 1    6   19   26 f   83.756   4.6805  841.118   92.199  878.200  130.359  804.000  130.421   84.979   6.5467   81.169   6.8689 3.809273 9.489036 
1 1 1    6   19   27 o   84.567   4.7221  859.503   93.920  864.300  132.783  854.700  132.863   84.043   6.7477   83.553   6.7930 0.4904785 9.574758 
1 1 1    6   19   28 o  134.365   7.3933  2226.43  233.675  2124.70  330.198  2328.50  330.735  127.981   11.034  134.581   10.490 -6.600288 15.22466 
1 1 1    6   19   29 o   58.169   3.3924  404.948   46.395  399.300   65.602  410.600   65.623   57.349   4.8911   58.183   4.8198 -0.8340988 6.866811 
1 1 1    6   19   30 o   41.901   2.6233  209.492   25.825  200.800   36.506  218.200   36.539   40.773   3.8368   42.556   3.6720 -1.783146 5.310791 
1 1 1    6   19   31 o   77.536   4.3285  726.406   78.934  676.800  111.523  776.200  111.735   73.805   6.4642   79.333   6.0091 -5.528625 8.825841 
1 1 1    6   19   32 o   19.866   1.7892   47.153   8.3034   49.600   11.735   44.700   11.750   20.270   2.5051   19.197   2.6638 1.072163 3.656715 
1 1 1    6   19   33 o   44.789   2.7727  240.155   29.181  232.900   41.283  247.400   41.253   43.769   4.0399   45.163   3.9068 -1.393494 5.619937 
1 1 1    6   19   34 o   65.426   3.7281  517.571   57.359  549.700   81.219  485.600   81.018   66.709   5.1970   62.484   5.5487 4.225151 7.602415 
1 1 1    6   19   35 o   28.883   2.0416   99.710   13.834  115.600   19.621   84.000   19.510   30.974   2.7098   26.247   3.2150 4.727211 4.204688 
1 1 1    6   19   36 o   52.298   3.1139  330.715   38.280  352.300   54.181  309.200   54.092   53.408   4.3336   49.849   4.6490 3.559071 6.355545 
1 1 1    6   19   37 o   27.030   2.0348   87.652   12.892   84.300   18.238   91.000   18.226   26.263   2.9944   27.336   2.8661 -1.073362 4.145019 
1 1 1    6   19   38 o   21.116   1.8081   53.523   8.9286   56.900   12.679   50.200   12.576   21.613   2.5323   20.240   2.6985 1.373148 3.700591 
1 1 1    6   19   39 o   53.861   3.2579  355.601   41.241  357.200   58.312  354.000   58.336   52.942   4.7137   52.681   4.7401 0.2606812 6.684870 
1 1 1    6   19   40 o   27.849   2.0688   93.449   13.508   94.700   19.112   92.200   19.093   27.749   2.9626   27.361   3.0047 0.3880215 4.219643 
1 1 1    6   19   41 o   14.525   1.6139   25.455   5.4417   32.200   7.7815   19.000   7.6127   16.257   2.0743   12.289   2.6973 3.967730 3.402657 
1 1 1    6   19   42 o   28.975   2.0543  101.303   13.965  114.700   19.821   88.100   19.678   30.580   2.7751   26.604   3.1963 3.976402 4.232958 
1 1 1    6   19   43 o   7.1166   1.6237   6.2881   2.6684   7.9000   3.9227   4.9000   3.6403   7.9568   2.0686   6.4661   2.0909 1.490695 2.941223 
1 1 1    6   19   44 o   26.853   2.0120   87.393   12.666   92.500   18.014   82.400   17.811   27.294   2.8365   25.674   2.9941 1.619389 4.124320 
1 1 1    6   19   45 o   21.996   1.7394   58.503   8.9606   71.700   12.795   45.800   12.553   24.176   2.2677   19.045   2.8814 5.130951 3.666759 
1 1 1    6   19   46 o   32.669   2.4357  131.886   18.655  160.700   26.275  102.600   26.490   35.554   3.1627   27.626   4.1923 7.927813 5.251466 
1 1 1    6   19   47 o   18.995   1.9497   44.268   8.6210   53.200   11.988   34.700   12.407   20.598   2.5170   16.208   3.3523 4.389231 4.192064 
1 1 1    6   19   48 o   28.586   3.1597  105.300   20.972  105.300   20.972   0.0000   0.0000   28.586   3.1597  ?   ?  0.000000 3.159687 
1 1 1    6   19   49 o   10.675   2.4339   14.700   5.9988   14.700   5.9988   0.0000   0.0000   10.675   2.4339  ?   ?  0.000000 2.433885 
1 1 1    6   19   50 o   14.677   2.5907   28.000   8.6507   28.000   8.6507   0.0000   0.0000   14.677   2.5907  ?   ?  0.000000 2.590729 
1 1 1    6   19   51 o   4.8205   1.8475   2.1000   2.9444   2.1000   2.9444   0.0000   0.0000   4.8205   1.8475  ?   ?  0.000000 1.847485 
1 1 1    6   19   52 o   4.5428   1.7637   1.8000   2.7091   1.8000   2.7091   0.0000   0.0000   4.5428   1.7637  ?   ?  0.000000 1.763747 
1 1 1    6   19   53 o   11.433   2.6219   18.400   6.9273   18.400   6.9273   0.0000   0.0000   11.433   2.6219  ?   ?  0.000000 2.621859 
1 1 1    6   19   54 o   11.387   2.6354   18.500   6.9461   18.500   6.9461   0.0000   0.0000   11.387   2.6354  ?   ?  0.000000 2.635433 
1 1 1    6   19   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   20    0 o   67.010   5.5198  541.900   85.979  541.900   85.979  541.900   85.979   67.010   5.5198   67.010   5.5198 0.000000 0.000000 
1 1 1    6   20    1 o  110.457   5.9837  1451.44  155.491  1436.90  219.795  1466.00  220.000  109.469   8.5713  110.595   8.4889 -1.125633 12.06355 
1 1 1    6   20    2 o  286.061   15.454  9991.15  1040.04  9817.30  1468.73 10166.00  1472.95  278.482   22.528  283.714   22.162 -5.231842 31.60155 
1 1 1    6   20    3 o   53.976   3.0771  345.532   39.057  320.200   54.949  371.400   55.527   51.809   4.5372   55.859   4.2413 -4.050186 6.210865 
1 1 1    6   20    4 o  196.441   15.256  4725.30  702.126  4725.30  702.126   0.0000   0.0000  196.441   15.256  ?   ?  0.000000 15.25597 
1 1 1    6   20    5 o   54.979   3.2620  358.668   42.159  373.700   59.489  343.500   59.757   55.997   4.5380   53.644   4.7671 2.353058 6.581649 
1 1 1    6   20    6 o   76.029   4.2754  686.404   76.446  703.300  107.940  669.400  108.284   76.753   6.0034   74.843   6.1824 1.910049 8.617557 
1 1 1    6   20    7 o  104.014   5.4932  1286.46  134.443  1203.60  189.458  1370.50  190.810  100.179   8.0776  107.031   7.5991 -6.851738 11.09023 
1 1 1    6   20    8 o   68.393   3.9184  555.335   63.019  676.000   89.090  434.500   89.153   75.360   5.0354   60.153   6.3736 15.20712 8.122697 
1 1 1    6   20    9 o   21.343   1.9277   54.253   9.6103   71.300   13.531   36.900   13.652   24.449   2.3736   17.359   3.4521 7.090231 4.189425 
1 1 1    6   20   10 o   91.607   4.3051  993.652   93.127  764.100  130.875  1229.10  132.545   79.844   7.0125  101.640   5.5435 -21.79578 8.938973 
1 1 1    6   20   11 o  143.065   7.7711  2446.58  261.544  2541.20  369.535  2351.60  370.224  144.977   10.874  139.285   11.355 5.691925 15.72179 
1 1 1    6   20   12 o  253.777   13.782  7858.20  822.776  7907.40  1163.55  7809.00  1163.61  250.304   19.849  248.621   19.989 1.683472 28.16976 
1 1 1    6   20   13 o   46.429   2.5707  255.568   28.074  324.900   39.828  187.100   39.579   52.312   3.2402   39.515   4.3117 12.79745 5.393464 
1 1 1    6   20   14 o   73.833   4.1232  647.480   71.600  632.500  101.188  662.500  101.326   72.736   5.9433   74.473   5.8078 -1.736633 8.309837 
1 1 1    6   20   15 o  197.150   10.948  4700.13  507.669  5276.60  717.250  4121.40  718.658  206.968   14.773  181.591   16.956 25.37688 22.48871 
1 1 1    6   20   16 o   58.024   3.3291  399.636   45.422  420.600   64.335  378.800   64.139   59.389   4.6240   56.309   4.8717 3.079815 6.716798 
1 1 1    6   20   17 o  133.572   7.0046  2132.57  220.164  2327.30  311.744  1938.80  310.974  138.837   9.5673  126.365   10.517 12.47266 14.21772 
1 1 1    6   20   18 o   73.560   4.0965  643.109   70.874  671.900  100.301  614.400  100.160   74.966   5.7089   71.624   5.9767 3.342613 8.265133 
1 1 1    6   20   19 o  253.761   13.935  7967.44  831.795  8220.40  1176.60  7714.70  1176.07  251.871   19.946  243.168   20.678 8.702957 28.73013 
1 1 1    6   20   20 o   72.282   3.9817  621.252   67.699  690.200   95.844  552.600   95.638   75.988   5.3761   67.834   6.0336 8.154282 8.081320 
1 1 1    6   20   21 o  124.445   6.5165  1856.24  190.827  2107.80  270.199  1605.90  269.542  131.869   8.7265  114.522   10.070 17.34728 13.32476 
1 1 1    6   20   22 o   92.375   5.0894  1019.49  110.588  1027.70  156.458  1011.30  156.331   92.197   7.2449   91.437   7.3012 0.7596588 10.28573 
1 1 1    6   20   23 o  164.264   8.9313  3295.64  345.129  3466.20  488.312  3125.40  487.861  165.822   12.564  156.827   13.299 8.995392 18.29552 
1 1 1    6   20   24 o   39.131   2.4756  182.027   22.757  193.700   32.286  170.500   32.082   40.249   3.4297   37.710   3.6484 2.538761 5.007353 
1 1 1    6   20   25 o  137.364   7.5260  2303.87  243.188  2399.20  344.059  2208.70  343.779  137.952   10.644  131.941   11.138 6.010971 15.40648 
1 1 1    6   20   26 o   11.633   1.6328   16.319   4.3620   18.400   6.2167   14.300   6.1219   12.276   2.2266   10.771   2.4608 1.504885 3.318640 
1 1 1    6   20   27 o   72.877   4.1471  636.981   71.072  668.200  100.462  605.700  100.562   74.112   5.7864   70.421   6.1079 3.691399 8.413625 
1 1 1    6   20   28 o   42.320   2.6417  213.539   26.268  206.800   37.118  220.300   37.179   41.420   3.8386   42.787   3.7167 -1.367531 5.343071 
1 1 1    6   20   29 f   44.004   2.7229  231.092   28.154  226.500   39.783  235.700   39.849   43.312   3.9327   44.208   3.8559 -0.8959389 5.507616 
1 1 1    6   20   30 o   87.350   4.9051  926.297  100.765  957.400  142.511  895.200  142.496   87.623   6.9445   84.541   7.2067 3.081772 10.00813 
1 1 1    6   20   31 o   61.059   3.5120  447.845   50.424  428.300   71.211  467.500   71.409   59.128   5.1517   61.886   4.9274 -2.757511 7.128757 
1 1 1    6   20   32 o   15.912   1.6921   30.336   6.2603   32.100   8.8899   28.600   8.8174   16.261   2.3861   15.305   2.5280 0.9565783 3.476265 
1 1 1    6   20   33 o   65.119   3.7903  512.629   58.031  532.700   82.010  492.500   82.127   65.648   5.3365   62.976   5.5804 2.671665 7.721363 
1 1 1    6   20   34 o   25.058   1.9518   75.047   11.458   76.000   16.233   74.100   16.175   25.062   2.7903   24.737   2.8195 0.3252983 3.966837 
1 1 1    6   20   35 o   51.298   3.0769  317.584   37.099  326.200   52.514  309.000   52.418   51.437   4.3647   49.994   4.4880 1.443630 6.260365 
1 1 1    6   20   36 f   30.192   2.0914  109.233   14.819  119.700   21.024   98.900   20.890   31.416   2.8656   28.446   3.1634 2.969158 4.268387 
1 1 1    6   20   37 o   7.1608   1.8029   6.3452   3.0466   1.4000   4.4521   10.700   4.1779   5.4328   2.2105   9.2989   1.9643 -3.866058 2.957150 
1 1 1    6   20   38 o   87.424   5.0944  977.391  104.713  1036.60  148.223  918.400  147.950   86.634   7.3138   80.625   7.8715 6.009407 10.74488 
1 1 1    6   20   39 o   14.866   1.6693   26.664   5.7585   28.600   8.2228   24.800   8.0669   15.250   2.3596   14.143   2.5072 1.106945 3.442976 
1 1 1    6   20   40 o   42.813   2.6822  222.851   26.979  240.600   38.206  205.200   38.102   43.921   3.7188   40.338   4.0550 3.583164 5.502038 
1 1 1    6   20   41 o   26.134   1.9695   82.284   12.065   92.500   17.118   72.200   17.007   27.497   2.6700   24.130   3.0530 3.367239 4.055869 
1 1 1    6   20   42 o   39.045   2.5301  185.480   23.201  204.300   32.829  166.700   32.794   40.473   3.4685   36.287   3.8878 4.186428 5.210142 
1 1 1    6   20   43 o   39.345   2.5309  189.199   23.389  207.100   33.125  171.400   33.030   40.566   3.4921   36.618   3.8790 3.947666 5.219304 
1 1 1    6   20   44 o   17.203   1.7253   35.864   6.9140   38.400   9.8495   33.400   9.7078   17.592   2.4364   16.330   2.6050 1.262169 3.566779 
1 1 1    6   20   45 o   10.629   1.6407   13.867   3.9853   15.100   5.7151   12.700   5.5602   10.938   2.2863   9.9989   2.3878 0.9389715 3.305889 
1 1 1    6   20   46 o   7.5325   1.9243   7.1394   3.4351   8.3000   4.3869   5.3000   5.5228   8.1072   2.2244   7.0746   2.5650 1.032538 3.395150 
1 1 1    6   20   47 f   14.706   1.9123   26.668   6.4837   33.800   8.8995   18.600   9.4652   16.417   2.3638   11.859   3.2730 4.557899 4.037307 
1 1 1    6   20   48 o   19.311   2.6942   47.500   11.951   47.500   11.951   0.0000   0.0000   19.311   2.6942  ?   ?  0.000000 2.694182 
1 1 1    6   20   49 o   6.7816   2.1850   5.6000   3.9781   5.6000   3.9781   0.0000   0.0000   6.7816   2.1850  ?   ?  0.000000 2.184969 
1 1 1    6   20   50 o   20.882   2.8234   57.400   13.565   57.400   13.565   0.0000   0.0000   20.882   2.8234  ?   ?  0.000000 2.823402 
1 1 1    6   20   51 o   18.322   2.7686   45.300   11.605   45.300   11.605   0.0000   0.0000   18.322   2.7686  ?   ?  0.000000 2.768640 
1 1 1    6   20   52 o   6.4776   2.1820   5.3000   3.9523   5.3000   3.9523   0.0000   0.0000   6.4776   2.1820  ?   ?  0.000000 2.182042 
1 1 1    6   20   53 o   21.512   3.1203   67.800   15.388   67.800   15.388   0.0000   0.0000   21.512   3.1203  ?   ?  0.000000 3.120336 
1 1 1    6   20   54 o   11.249   2.9538   18.900   7.9469   18.900   7.9469   0.0000   0.0000   11.249   2.9538  ?   ?  0.000000 2.953842 
1 1 1    6   21    0 o  263.259   20.711  8576.70  1269.15  8576.70  1269.15  8576.70  1269.15  263.259   20.711  263.259   20.711 0.000000 0.000000 
1 1 1    6   21    1 o  194.203   10.421  4534.27  476.136  4499.10  672.114  4569.70  674.610  191.639   14.971  193.175   14.904 -1.535629 21.12522 
1 1 1    6   21    2 o  234.208   11.607  6601.46  641.948  5629.20  905.246  7585.00  910.478  212.696   18.199  248.735   15.580 -36.03914 23.95708 
1 1 1    6   21    3 o   99.050   4.6978  1162.03  109.878  939.400  154.229  1391.50  156.579   88.540   7.4459  108.093   6.1599 -19.55331 9.663658 
1 1 1    6   21    4 o  151.826   8.3320  2757.13  297.575  3153.80  420.556  2359.40  421.113  161.638   11.085  139.111   12.969 22.52670 17.06117 
1 1 1    6   21    5 o  261.937   14.039  8358.89  865.177  8079.30  1221.56  8640.30  1225.54  253.057   20.622  262.281   19.937 -9.223938 28.68361 
1 1 1    6   21    6 o   83.900   4.6491  836.335   91.746  834.400  129.263  838.300  130.239   83.537   6.6068   83.728   6.6419 -0.1908035 9.368277 
1 1 1    6   21    7 f   99.243   5.4870  1171.71  128.088  1217.90  180.837  1125.20  181.453  100.834   7.6519   96.830   8.0077 4.003754 11.07586 
1 1 1    6   21    8 o   31.130   2.1847  115.066   15.958  112.100   22.440  118.100   22.698   30.629   3.1474   31.452   3.0963 -0.8233299 4.415071 
1 1 1    6   21    9 o  290.732   23.695 10912.00  1612.59 10912.00  1612.59   0.0000   0.0000  290.732   23.695  ?   ?  0.000000 23.69544 
1 1 1    6   21   10 o   41.959   3.7601  210.000   36.860  210.000   36.860   0.0000   0.0000   41.959   3.7601  ?   ?  0.000000 3.760058 
1 1 1    6   21   11 o  167.707   9.2441  3376.87  364.667  3729.50  515.228  3022.90  516.208  175.078   12.546  156.919   14.081 18.15868 18.85916 
1 1 1    6   21   12 o  165.069   8.5176  3264.32  330.873  3862.90  468.307  2667.70  467.543  178.711   11.153  147.501   13.576 31.20998 17.56968 
1 1 1    6   21   13 o  185.362   9.4816  4130.12  413.626  4802.70  585.556  3460.30  584.356  198.631   12.549  167.401   14.940 31.22990 19.51069 
1 1 1    6   21   14 o  112.667   5.9457  1512.47  157.623  1715.10  223.124  1310.60  222.703  119.587   7.9465  104.188   9.1445 15.39855 12.11483 
1 1 1    6   21   15 o  190.693   10.149  4389.95  455.364  4688.00  644.419  4092.70  643.545  195.132   14.080  181.680   15.138 13.45270 20.67417 
1 1 1    6   21   16 o  216.461   10.571  5655.19  540.323  6823.60  765.548  4495.40  762.723  235.605   13.821  188.939   17.287 46.66614 22.13278 
1 1 1    6   21   17 o  195.884   10.296  4646.56  474.594  5227.60  671.690  4067.30  670.666  205.726   13.908  180.113   15.933 25.61343 21.14969 
1 1 1    6   21   18 o   65.318   3.5597  506.729   54.697  599.700   77.466  414.300   77.240   70.938   4.6503   58.752   5.6366 12.18542 7.307317 
1 1 1    6   21   19 o   69.861   3.6417  579.812   59.868  700.400   84.910  460.600   84.424   76.654   4.7138   61.914   5.8436 14.74075 7.507864 
1 1 1    6   21   20 o   17.848   1.7373   38.000   7.2290   42.900   10.223   33.100   10.223   18.903   2.3404   16.510   2.7168 2.392801 3.585888 
1 1 1    6   21   21 o  185.346   10.108  4210.77  440.727  4431.30  623.468  3990.50  623.096  186.843   14.238  176.506   15.095 10.33662 20.75055 
1 1 1    6   21   22 o   90.681   4.8344  982.625  103.147  1093.80  146.118  872.200  145.626   95.230   6.5374   84.744   7.3500 10.48574 9.836672 
1 1 1    6   21   23 o   83.758   4.6406  839.118   91.424  854.600  129.426  823.700  129.161   83.991   6.5783   82.412   6.6950 1.578918 9.385976 
1 1 1    6   21   24 o   40.450   2.5586  194.643   24.313  198.100   34.422  191.200   34.347   40.658   3.6233   39.928   3.6845 0.7301750 5.167531 
1 1 1    6   21   25 o   35.170   2.3057  147.160   19.043  156.900   26.987  137.500   26.875   36.200   3.1896   33.834   3.4103 2.365993 4.669494 
1 1 1    6   21   26 o   19.646   1.7867   46.052   8.1983   45.300   11.607   46.800   11.582   19.369   2.6036   19.702   2.5492 -0.3322544 3.643821 
1 1 1    6   21   27 o   14.021   1.6734   23.593   5.4308   24.500   7.7111   22.700   7.6500   14.180   2.3877   13.624   2.4688 0.5564251 3.434529 
1 1 1    6   21   28 o   6.1526   1.7611   4.5853   2.6885   0.8000   4.0015   7.7000   3.6298   5.0241   2.0756   7.9062   1.9552 -2.882174 2.851478 
1 1 1    6   21   29 o   22.441   1.8415   60.060   9.6723   53.100   13.640   67.100   13.718   20.937   2.8315   23.636   2.4956 -2.699087 3.774336 
1 1 1    6   21   30 f   16.035   1.6963   30.791   6.3252   31.600   8.9963   30.000   8.8949   16.129   2.4382   15.699   2.4820 0.4304457 3.479236 
1 1 1    6   21   31 o   47.153   2.8594  266.074   31.688  249.800   44.778  282.400   44.848   45.319   4.2333   48.291   3.9680 -2.971516 5.802259 
1 1 1    6   21   32 o   42.341   2.6633  214.552   26.492  217.800   37.455  211.300   37.476   42.375   3.7829   41.714   3.8480 0.6612625 5.396057 
1 1 1    6   21   33 o   59.185   3.4090  422.318   47.441  394.100   66.994  450.700   67.189   56.459   5.0795   60.578   4.7347 -4.119118 6.943964 
1 1 1    6   21   34 o   42.728   2.6104  219.066   26.212  245.300   37.129  193.000   37.010   44.936   3.5275   39.660   4.0068 5.275513 5.338348 
1 1 1    6   21   35 o   27.659   2.0566   91.652   13.336   90.400   18.876   92.900   18.844   27.252   2.9819   27.644   2.9315 -0.3916550 4.181560 
1 1 1    6   21   36 o   5.7289   1.6409   3.9926   2.3333   2.0000   3.3364   5.9000   3.2643   5.0804   1.9615   6.9336   1.9253 -1.853197 2.748513 
1 1 1    6   21   37 o   84.790   4.9850  912.950   99.370  912.500  140.577  913.400  140.484   81.468   7.3878   81.524   7.3775 -0.5595398E-01 10.44061 
1 1 1    6   21   38 o   9.1610   1.6626   10.301   3.4641   11.600   4.9978   9.1000   4.8058   9.6449   2.2377   8.5620   2.3195 1.082812 3.222926 
1 1 1    6   21   39 o   23.988   1.9267   69.248   10.821   71.700   15.310   66.800   15.297   24.188   2.7282   23.302   2.8387 0.8862610 3.937142 
1 1 1    6   21   40 o   29.511   2.1360  105.100   14.785  105.000   20.944  105.200   20.873   29.160   3.0888   29.194   3.0741 -0.3410149E-01 4.357832 
1 1 1    6   21   41 o   25.178   1.9680   76.440   11.607   84.200   16.426   68.700   16.405   26.203   2.6930   23.527   3.0228 2.676741 4.048394 
1 1 1    6   21   42 o   14.408   1.6334   25.108   5.4589   29.900   7.7966   20.500   7.6456   15.609   2.1744   12.763   2.6245 2.845730 3.408245 
1 1 1    6   21   43 o   36.357   2.3475  161.121   20.045  181.400   28.440  141.100   28.258   38.093   3.1911   33.279   3.6562 4.813511 4.852943 
1 1 1    6   21   44 o   23.955   1.8604   69.523   10.441   81.200   14.848   58.100   14.685   25.656   2.4818   21.457   2.9786 4.198895 3.877011 
1 1 1    6   21   45 o   13.627   1.9212   22.885   6.0104   29.900   8.2137   14.800   8.8183   15.478   2.3186   10.720   3.2226 4.758832 3.970052 
1 1 1    6   21   46 o   24.087   1.8787   70.721   10.601   58.100   14.778   84.100   15.215   21.290   3.0245   25.971   2.5124 -4.680552 3.931921 
1 1 1    6   21   47 o   13.410   1.8468   22.183   5.6930   25.800   7.7741   18.000   8.3600   14.293   2.3876   11.713   3.0072 2.580239 3.839722 
1 1 1    6   21   48 o   38.398   3.9399  199.600   35.218  199.600   35.218   0.0000   0.0000   38.398   3.9399  ?   ?  0.000000 3.939884 
1 1 1    6   21   49 o   9.2761   2.4129   11.200   5.3353   11.200   5.3353   0.0000   0.0000   9.2761   2.4129  ?   ?  0.000000 2.412862 
1 1 1    6   21   50 o   33.091   3.7531  156.600   28.808  156.600   28.808   0.0000   0.0000   33.091   3.7531  ?   ?  0.000000 3.753071 
1 1 1    6   21   51 o   13.298   2.6094   24.100   7.9011   24.100   7.9011   0.0000   0.0000   13.298   2.6094  ?   ?  0.000000 2.609415 
1 1 1    6   21   52 o   8.7707   2.5325   10.700   5.5377   10.700   5.5377   0.0000   0.0000   8.7707   2.5325  ?   ?  0.000000 2.532459 
1 1 1    6   21   53 o   2.7776   1.3625  -5.7000   3.0525  -5.7000   3.0525   0.0000   0.0000   2.7776   1.3625  ?   ?  0.000000 1.362477 
1 1 1    6   21   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   22    0 o   58.833   5.0007  418.200   68.318  418.200   68.318  418.200   68.318   58.833   5.0007   58.833   5.0007 0.000000 0.000000 
1 1 1    6   22    1 o  230.970   12.640  6467.93  686.751  6734.10  969.978  6200.40  972.451  232.758   17.783  222.735   18.661 10.02307 25.77708 
1 1 1    6   22    2 o  184.081   9.9493  4072.01  430.869  4659.40  609.260  3484.30  609.422  195.652   13.266  168.112   15.527 27.54053 20.42237 
1 1 1    6   22    3 o  298.054   16.527 10953.85  1158.64 11365.80  1636.69 10540.00  1640.45  297.316   23.504  285.160   24.603 12.15579 34.02553 
1 1 1    6   22    4 f  109.722   6.1465  1434.03  158.611  1638.30  224.046  1228.80  224.575  116.924   8.1660  100.886   9.5402 16.03802 12.55779 
1 1 1    6   22    5 o  145.005   7.7751  2512.68  265.257  2453.60  374.757  2572.00  375.503  142.358   11.240  145.852   10.983 -3.493958 15.71513 
1 1 1    6   22    6 o  159.927   8.7192  3064.41  328.033  3388.30  463.651  2739.80  464.167  167.198   11.820  149.750   13.264 17.44865 17.76595 
1 1 1    6   22    7 o  104.931   5.6222  1310.17  138.799  1247.00  195.859  1373.90  196.727  101.909   8.2086  107.075   7.8350 -5.166702 11.34759 
1 1 1    6   22    8 o  103.297   5.7828  1270.46  140.487  1425.40  198.446  1114.80  198.911  109.084   7.7546   96.175   8.8582 12.90894 11.77291 
1 1 1    6   22    9 o  205.339   11.162  5093.10  539.190  5336.90  762.062  4848.70  762.999  207.998   15.630  197.729   16.492 10.26933 22.72174 
1 1 1    6   22   10 o   93.287   5.2035  1035.29  114.169  1116.20  161.270  954.000  161.648   96.568   7.1226   89.116   7.7590 7.451584 10.53248 
1 1 1    6   22   11 o  184.614   9.6731  4099.30  420.220  5035.30  594.599  3165.30  593.963  203.477   12.435  159.583   15.977 43.89459 20.24534 
1 1 1    6   22   12 o  134.955   7.2753  2176.84  230.992  2221.10  326.724  2132.60  326.620  135.512   10.287  132.702   10.509 2.810623 14.70607 
1 1 1    6   22   13 o  185.476   9.4411  4139.92  412.130  4795.40  583.615  3487.90  582.068  198.265   12.530  167.862   14.837 30.40352 19.42038 
1 1 1    6   22   14 o  113.403   5.9471  1532.92  158.699  1750.00  224.655  1316.70  224.213  120.762   7.9221  104.367   9.1916 16.39539 12.13445 
1 1 1    6   22   15 o  125.755   6.1702  1881.83  183.227  2260.50  259.717  1506.60  258.532  137.228   8.0501  111.421   9.9303 25.80692 12.78337 
1 1 1    6   22   16 o   89.203   4.8108  947.072  100.959  1044.50  142.909  850.000  142.647   93.390   6.5212   84.051   7.2584 9.339363 9.757597 
1 1 1    6   22   17 o  152.731   8.3874  2809.32  301.336  3073.80  425.858  2544.10  426.449  158.462   11.458  143.495   12.717 14.96735 17.11771 
1 1 1    6   22   18 o   56.251   3.4005  376.122   44.957  436.500   63.462  315.300   63.695   60.476   4.4757   51.207   5.3465 9.269165 6.972631 
1 1 1    6   22   19 o   28.958   2.1774   99.709   14.780  109.600   20.739   89.500   21.069   30.286   2.9368   27.284   3.3400 3.002338 4.447471 
1 1 1    6   22   20 o   40.637   2.5423  196.182   24.273  232.000   34.384  160.600   34.271   44.118   3.3250   36.557   4.0373 7.560581 5.230222 
1 1 1    6   22   21 o   48.951   3.0159  285.027   34.692  322.200   48.978  247.600   49.145   51.916   4.0267   45.364   4.6537 6.551979 6.153973 
1 1 1    6   22   22 o   59.377   3.4385  419.959   48.005  404.800   67.797  435.200   67.982   58.007   4.9984   60.198   4.8230 -2.190662 6.945849 
1 1 1    6   22   23 o   99.781   5.4511  1197.95  127.952  1277.70  181.070  1118.40  180.833  102.195   7.5569   95.324   8.1107 6.870522 11.08565 
1 1 1    6   22   24 o  100.934   5.4694  1228.85  129.872  1344.60  183.828  1113.50  183.506  104.647   7.4886   94.776   8.2828 9.871368 11.16620 
1 1 1    6   22   25 o   38.826   2.4950  179.497   22.754  181.900   32.202  177.100   32.156   38.922   3.5424   38.392   3.5887 0.5300217 5.042569 
1 1 1    6   22   26 o   33.586   2.2778  134.350   17.958  135.000   25.390  133.700   25.402   33.517   3.2488   33.351   3.2675 0.1665764 4.607706 
1 1 1    6   22   27 o   55.203   3.2247  364.411   41.852  343.300   59.134  385.600   59.243   53.176   4.7596   56.466   4.4799 -3.289330 6.536343 
1 1 1    6   22   28 o   50.947   3.0393  310.336   36.397  303.800   51.417  316.900   51.529   50.066   4.3935   51.167   4.3047 -1.101044 6.150922 
1 1 1    6   22   29 o   62.541   3.5858  469.751   52.735  446.100   74.502  493.500   74.655   60.347   5.2813   63.605   5.0112 -3.257473 7.280390 
1 1 1    6   22   30 o   57.382   3.3602  395.286   45.333  422.600   64.127  368.000   64.094   58.905   4.6481   54.808   5.0076 4.096436 6.832331 
1 1 1    6   22   31 o   78.385   4.4655  746.814   82.312  825.000  116.397  668.600  116.417   81.414   6.0988   72.757   6.8569 8.656517 9.176800 
1 1 1    6   22   32 o   38.354   2.4941  176.000   22.465  176.100   31.784  175.900   31.757   38.103   3.5743   38.081   3.5734 0.2156830E-01 5.054212 
1 1 1    6   22   33 o   78.102   4.4843  747.959   82.356  780.700  116.453  715.200  116.485   78.372   6.3471   74.719   6.6722 3.652412 9.208881 
1 1 1    6   22   34 o   31.801   2.2251  121.210   16.604  122.800   23.407  119.600   23.557   31.773   3.1618   31.332   3.2303 0.4406300 4.520172 
1 1 1    6   22   35 o   32.142   2.2284  124.047   16.809  130.000   23.777  118.100   23.766   32.653   3.1218   31.054   3.2912 1.598797 4.536259 
1 1 1    6   22   36 o   68.403   3.9574  578.243   63.648  643.200   90.087  513.500   89.938   70.794   5.4303   62.498   6.1749 8.296394 8.223006 
1 1 1    6   22   37 o   52.539   3.1930  337.501   39.426  338.400   55.727  336.600   55.787   51.663   4.6166   51.509   4.6362 0.1536446 6.542753 
1 1 1    6   22   38 o   58.027   3.4858  415.250   47.542  420.100   67.237  410.400   67.232   57.071   5.0411   56.341   5.1091 0.7300262 7.177417 
1 1 1    6   22   39 o   14.377   1.6853   24.981   5.6130   31.200   7.9505   18.800   7.9255   15.985   2.1618   12.213   2.8069 3.771226 3.542927 
1 1 1    6   22   40 o   37.078   2.4386  166.676   21.231  173.500   30.078  159.900   29.974   37.355   3.4488   35.772   3.5973 1.583473 4.983407 
1 1 1    6   22   41 o   31.348   2.2112  118.942   16.263  121.100   23.040  116.800   22.959   31.238   3.1672   30.649   3.2205 0.5892735 4.516923 
1 1 1    6   22   42 o   35.354   2.3825  152.287   19.774  169.000   27.976  135.600   27.953   36.773   3.2554   32.657   3.6896 4.116306 4.920409 
1 1 1    6   22   43 o   6.8686   1.6836   5.8804   2.7095   6.8000   3.7719   4.9000   3.8945   7.3952   2.0753   6.5120   2.1658 0.8831911 2.999610 
1 1 1    6   22   44 o   34.251   2.1455  143.102   17.265  185.600   24.503  101.200   24.331   38.674   2.7001   27.833   3.8014 10.84093 4.662698 
1 1 1    6   22   45 o   36.396   2.5309  164.314   21.617  167.000   30.219  161.500   30.934   35.817   3.6228   35.061   3.7971 0.7556267 5.248125 
1 1 1    6   22   46 o   10.509   2.1293   13.938   5.1028   23.900   6.8356   1.4000   7.6689   13.833   2.1635   6.7226   2.8321 7.110540 3.563905 
1 1 1    6   22   47 o   17.442   1.8784   37.377   7.6144   41.300   10.543   33.100   11.009   18.068   2.5414   15.918   3.0396 2.149746 3.962008 
1 1 1    6   22   48 o   8.7666   2.3790   9.9000   5.0503   9.9000   5.0503   0.0000   0.0000   8.7666   2.3790  ?   ?  0.000000 2.378954 
1 1 1    6   22   49 o   5.2988   1.9080   3.0000   3.0487   3.0000   3.0487   0.0000   0.0000   5.2988   1.9080  ?   ?  0.000000 1.907994 
1 1 1    6   22   50 o   4.7518   1.8093   2.1000   2.8126   2.1000   2.8126   0.0000   0.0000   4.7518   1.8093  ?   ?  0.000000 1.809341 
1 1 1    6   22   51 o   19.104   2.8415   50.700   12.428   50.700   12.428   0.0000   0.0000   19.104   2.8415  ?   ?  0.000000 2.841499 
1 1 1    6   22   52 o   3.4413   1.6104  -2.8000   3.2669  -2.8000   3.2669   0.0000   0.0000   3.4413   1.6104  ?   ?  0.000000 1.610407 
1 1 1    6   22   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   23    0 o  140.068   10.981  2380.10  358.065  2380.10  358.065  2380.10  358.065  140.068   10.981  140.068   10.981 0.000000 0.000000 
1 1 1    6   23    1 o  116.718   5.6999  1616.65  157.097  1987.60  223.095  1251.80  221.253  128.996   7.3545  101.872   9.3001 27.12405 11.85670 
1 1 1    6   23    2 o  282.908   15.333  9824.78  1020.52  9597.30  1440.95 10053.70  1445.52  273.709   22.494  280.655   21.987 -6.946564 31.45487 
1 1 1    6   23    3 o  190.390   9.5119  4340.97  427.638  3760.30  603.130  4928.00  606.426  174.928   14.739  201.325   12.823 -26.39696 19.53583 
1 1 1    6   23    4 o   47.373   2.9466  266.359   32.799  285.800   46.197  246.600   46.573   48.972   4.0307   45.421   4.3973 3.551037 5.965131 
1 1 1    6   23    5 o   44.294   2.7883  232.852   29.016  259.500   40.956  206.000   41.113   46.680   3.7472   41.494   4.2562 5.185429 5.670672 
1 1 1    6   23    6 o   89.509   5.0030  952.690  105.320  1002.10  148.662  902.900  149.231   91.517   6.9306   86.768   7.3526 4.749184 10.10413 
1 1 1    6   23    7 o  287.330   15.695 10169.63  1060.87 10058.80  1498.17 10281.10  1502.43  279.341   22.914  282.641   22.703 -3.299316 32.25640 
1 1 1    6   23    8 o   83.769   4.7006  834.191   92.606  917.100  130.853  751.000  131.076   87.608   6.3688   79.110   7.0919 8.497681 9.531883 
1 1 1    6   23    9 o  174.463   9.5025  3660.15  389.997  3849.90  551.025  3469.70  552.054  177.450   13.246  168.056   14.040 9.393585 19.30196 
1 1 1    6   23   10 o   75.400   4.3183  675.661   76.566  763.800  108.152  587.100  108.410   79.989   5.7645   69.932   6.6448 10.05702 8.796727 
1 1 1    6   23   11 o   10.744   1.6732   13.960   4.1067   9.9000   5.7460   18.200   5.8715   9.0416   2.5699   12.237   2.1080 -3.195743 3.323865 
1 1 1    6   23   12 o  146.327   7.5962  2562.65  261.568  2901.00  370.381  2226.00  369.447  154.902   10.183  135.080   11.698 19.82178 15.50885 
1 1 1    6   23   13 o  248.102   12.554  7515.59  733.116  8935.60  1038.03  6102.40  1035.54  267.421   16.519  217.701   20.381 49.72047 26.23483 
1 1 1    6   23   14 o   76.132   4.3262  689.308   77.453  800.100  109.457  578.200  109.613   81.837   5.6997   69.312   6.7842 12.52489 8.860720 
1 1 1    6   23   15 o  110.706   6.0259  1463.50  156.935  1376.00  221.937  1551.00  221.942  106.625   8.8959  113.404   8.3466 -6.779198 12.19851 
1 1 1    6   23   16 o   90.725   4.7347  980.007  101.081  1133.00  143.182  828.000  142.720   97.278   6.2666   82.856   7.3715 14.42124 9.675187 
1 1 1    6   23   17 o  162.566   8.3676  3190.19  320.125  3697.50  453.288  2685.40  452.164  173.627   11.114  146.726   13.191 26.90099 17.24941 
1 1 1    6   23   18 o  119.434   6.5027  1711.99  182.703  1671.30  258.362  1752.70  258.401  116.961   9.4349  119.890   9.1976 -2.929008 13.17624 
1 1 1    6   23   19 o  115.583   6.2691  1604.35  170.463  1754.40  241.148  1454.50  240.994  120.027   8.5646  108.859   9.4695 11.16762 12.76804 
1 1 1    6   23   20 o   73.119   4.0065  637.317   68.912  716.100   97.571  558.900   97.343   77.233   5.3837   68.009   6.1272 9.223862 8.156399 
1 1 1    6   23   21 o   63.614   3.6123  482.297   54.038  524.300   76.470  440.400   76.373   66.076   4.9367   60.420   5.4102 5.655319 7.324027 
1 1 1    6   23   22 o   91.664   4.6737  1006.50  100.826  1233.10  142.956  782.200  142.227  101.022   6.0200   79.790   7.6422 21.23267 9.728507 
1 1 1    6   23   23 o   11.355   1.6839   15.581   4.3782   18.100   6.1550   13.000   6.2291   12.174   2.2230   10.272   2.5734 1.901899 3.400646 
1 1 1    6   23   24 o   32.508   2.2365  125.800   17.064  126.300   24.135  125.300   24.128   32.437   3.1923   32.304   3.2053 0.1323662 4.523843 
1 1 1    6   23   25 o   44.197   2.7327  232.889   28.379  245.800   40.152  220.000   40.117   45.211   3.7961   42.706   4.0257 2.505291 5.533219 
1 1 1    6   23   26 f  105.282   5.8236  1352.40  144.218  1423.20  204.104  1281.80  203.806  106.366   8.1891  100.549   8.6685 5.817078 11.92494 
1 1 1    6   23   27 o   30.565   2.1642  111.352   15.519  109.800   21.957  112.900   21.937   30.195   3.1248   30.632   3.0742 -0.4375286 4.383465 
1 1 1    6   23   28 o   60.585   3.3061  439.705   47.119  511.300   66.870  369.100   66.406   65.003   4.3820   54.905   5.1833 10.09838 6.787371 
1 1 1    6   23   29 o   13.232   1.6665   21.064   5.0916   17.400   7.1662   24.800   7.2356   11.863   2.6275   14.287   2.2166 -2.423809 3.437582 
1 1 1    6   23   30 o   59.033   3.4774  419.230   48.261  433.500   68.179  404.900   68.323   59.501   4.8959   57.409   5.0928 2.092758 7.064476 
1 1 1    6   23   31 o   56.497   3.3376  384.202   44.330  378.200   62.701  390.200   62.682   55.479   4.8345   56.395   4.7512 -0.9161491 6.778366 
1 1 1    6   23   32 o   60.763   3.5269  446.446   50.388  407.600   71.210  485.400   71.310   57.190   5.3346   62.722   4.8524 -5.532528 7.211351 
1 1 1    6   23   33 o   31.706   2.2068  120.394   16.419  123.000   23.247  117.800   23.192   31.824   3.1342   31.118   3.2019 0.7052956 4.480534 
1 1 1    6   23   34 o   51.004   3.0165  314.709   36.170  289.100   51.061  340.500   51.242   48.150   4.5447   52.500   4.1676 -4.350250 6.166280 
1 1 1    6   23   35 o   91.041   5.3911  1057.36  115.382  1097.10  163.042  1017.50  163.307   89.202   7.8193   85.278   8.2112 3.923660 11.33864 
1 1 1    6   23   36 o   7.3567   1.6236   6.6903   2.7450   9.0000   4.0347   4.7000   3.7454   8.5102   2.0352   6.4191   2.1234 2.091063 2.941252 
1 1 1    6   23   37 o   6.9377   1.6817   5.9639   2.7264   6.4000   4.0424   5.6000   3.6928   7.2676   2.1813   6.8302   2.0924 0.4373899 3.022564 
1 1 1    6   23   38 o   32.312   2.2614  126.048   17.146  126.500   24.309  125.600   24.188   31.997   3.2630   31.884   3.2585 0.1130257 4.611409 
1 1 1    6   23   39 o   13.789   1.6429   22.982   5.2441   27.600   7.4725   18.500   7.3612   15.013   2.1709   12.139   2.6431 2.874310 3.420301 
1 1 1    6   23   40 o   57.400   3.4798  408.805   46.942  425.500   66.377  392.100   66.396   57.167   4.9665   54.612   5.2120 2.554844 7.199331 
1 1 1    6   23   41 o   21.291   1.8681   54.770   9.2975   56.800   13.085   52.700   13.213   21.450   2.6390   20.599   2.7881 0.8514500 3.838984 
1 1 1    6   23   42 o   16.296   1.6718   32.131   6.3421   39.100   9.0144   25.300   8.9244   17.854   2.1836   14.136   2.7726 3.717962 3.529246 
1 1 1    6   23   43 f   17.217   1.7273   35.948   6.9276   41.200   9.8462   30.800   9.7487   18.255   2.3379   15.608   2.7454 2.647098 3.605931 
1 1 1    6   23   44 f   2.4324   1.0896  -0.5816   1.2913   1.1000   1.6316  -3.4000   2.1123   3.6200   1.3781   2.4636   1.1913 1.156334 1.821672 
1 1 1    6   23   45 o   7.5034   1.9138   7.0856   3.4015   6.7000   4.3396   7.7000   5.4779   7.3751   2.2697   7.9491   2.5643 -0.5740800 3.424483 
1 1 1    6   23   46 o   19.173   1.8651   44.982   8.3371   44.700   11.444   45.300   12.170   18.787   2.6536   18.833   2.8237 -0.4657364E-01 3.874844 
1 1 1    6   23   47 o   3.2150   1.3656   0.0582   1.8069   1.4000   1.9970  -6.0000   4.2434   4.0187   1.5259   3.5829   1.7214 0.4358456 2.300366 
1 1 1    6   23   48 o   7.4091   2.2872   6.9000   4.4028   6.9000   4.4028   0.0000   0.0000   7.4091   2.2872  ?   ?  0.000000 2.287159 
1 1 1    6   23   49 o   15.827   2.6262   33.100   9.4708   33.100   9.4708   0.0000   0.0000   15.827   2.6262  ?   ?  0.000000 2.626153 
1 1 1    6   23   50 o   6.6751   2.2324   5.6000   4.1366   5.6000   4.1366   0.0000   0.0000   6.6751   2.2324  ?   ?  0.000000 2.232424 
1 1 1    6   23   51 o   14.484   2.7384   29.300   9.0225   29.300   9.0225   0.0000   0.0000   14.484   2.7384  ?   ?  0.000000 2.738360 
1 1 1    6   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   23   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   24    0 o  129.115   10.139  2020.60  304.749  2020.60  304.749  2020.60  304.749  129.115   10.139  129.115   10.139 0.000000 0.000000 
1 1 1    6   24    1 o  145.096   7.8107  2517.65  266.628  2296.20  376.940  2739.40  377.197  137.444   11.726  150.558   10.679 -13.11404 15.86017 
1 1 1    6   24    2 o   19.919   1.7436   47.228   8.1187   32.100   11.229   63.800   11.752   16.213   3.0447   23.135   2.1769 -6.921570 3.742887 
1 1 1    6   24    3 o  171.477   9.2294  3530.64  372.340  3668.10  526.686  3393.30  526.451  173.413   12.956  166.525   13.504 6.887970 18.71401 
1 1 1    6   24    4 o   68.680   4.0015  560.303   64.614  661.600   91.265  458.500   91.493   74.506   5.2204   61.787   6.3618 12.71961 8.229532 
1 1 1    6   24    5 o  174.087   9.3728  3641.87  383.879  3628.90  542.195  3654.90  543.580  172.207   13.440  172.832   13.425 -0.6250610 18.99602 
1 1 1    6   24    6 o   62.193   3.5032  459.104   51.238  429.200   72.109  489.600   72.820   59.937   5.1448   64.083   4.8480 -4.146671 7.069094 
1 1 1    6   24    7 o  169.143   9.2671  3439.42  368.728  3621.10  520.717  3256.70  522.205  172.147   12.904  162.855   13.707 9.292068 18.82501 
1 1 1    6   24    8 f  174.706   9.5562  3674.68  392.739  3843.80  554.631  3504.60  556.205  177.088   13.362  168.704   14.091 8.383438 19.41885 
1 1 1    6   24    9 o   82.650   4.5910  812.183   89.249  810.000  125.733  814.400  126.705   82.248   6.5275   82.466   6.5609 -0.2183075 9.254947 
1 1 1    6   24   10 o  104.889   5.8065  1311.31  143.255  1468.00  202.458  1154.20  202.729  110.594   7.8025   97.749   8.8799 12.84472 11.82081 
1 1 1    6   24   11 o  149.212   8.0496  2670.75  282.573  2663.10  399.483  2678.40  399.755  147.785   11.539  148.221   11.512 -0.4364624 16.29930 
1 1 1    6   24   12 o  240.721   11.149  7025.92  633.745  8890.50  898.354  5178.70  894.162  268.254   14.233  200.974   19.070 67.28073 23.79572 
1 1 1    6   24   13 o   35.653   2.2969  150.881   19.234  179.000   27.259  123.000   27.144   38.781   3.0000   32.021   3.6553 6.760082 4.728794 
1 1 1    6   24   14 o  139.111   7.5435  2323.59  246.871  2317.90  348.691  2329.30  349.567  137.746   10.807  138.086   10.807 -0.3405304 15.28316 
1 1 1    6   24   15 o  143.684   7.5895  2482.32  256.591  2808.60  363.141  2157.00  362.608  151.787   10.191  132.244   11.734 19.54337 15.54122 
1 1 1    6   24   16 o  104.308   5.6427  1300.68  138.468  1380.90  195.974  1220.70  195.673  106.890   7.8185  100.304   8.3369 6.585976 11.42949 
1 1 1    6   24   17 o  173.913   9.3304  3686.57  381.772  4057.90  540.220  3316.10  539.595  180.057   12.789  161.558   14.292 18.49953 19.17827 
1 1 1    6   24   18 o  190.356   10.351  4464.23  463.546  4972.00  655.821  3957.30  655.284  197.413   14.163  174.137   16.119 23.27655 21.45677 
1 1 1    6   24   19 o   59.518   3.4400  421.785   48.140  455.200   68.096  388.400   68.066   61.619   4.7158   56.807   5.1295 4.811737 6.967824 
1 1 1    6   24   20 o  105.371   5.7407  1336.15  142.301  1438.90  201.340  1233.60  201.148  108.454   7.9165  100.064   8.5963 8.389503 11.68620 
1 1 1    6   24   21 o   84.757   4.7244  861.400   94.179  856.300  133.184  866.500  133.193   83.828   6.7865   84.345   6.7439 -0.5168762 9.567448 
1 1 1    6   24   22 o   43.934   2.7147  229.832   28.025  238.600   39.674  221.100   39.593   44.590   3.8044   42.883   3.9545 1.706768 5.487382 
1 1 1    6   24   23 o   52.816   3.1238  332.780   38.786  356.500   54.875  309.100   54.828   54.427   4.3048   50.576   4.6428 3.851757 6.331404 
1 1 1    6   24   24 o   58.093   3.3348  403.336   45.554  429.800   64.562  377.100   64.284   59.650   4.6196   55.762   4.9330 3.888924 6.758346 
1 1 1    6   24   25 o  104.615   5.8217  1335.03  143.245  1388.50  202.618  1281.60  202.541  105.043   8.2346  100.612   8.6080 4.431099 11.91242 
1 1 1    6   24   26 o   2.5495   1.1192  -0.3500   1.2954  -2.8000   1.8320   2.1000   1.8320   2.3382   1.1254   4.3833   1.4856 -2.045072 1.863683 
1 1 1    6   24   27 o   75.452   4.2814  687.247   75.967  681.200  107.408  693.300  107.459   74.247   6.1825   74.937   6.1263 -0.6901474 8.703708 
1 1 1    6   24   28 o   26.437   2.0511   83.414   12.704   70.300   18.011   96.400   17.923   24.044   3.2559   28.328   2.7125 -4.283581 4.237775 
1 1 1    6   24   29 o   69.980   3.9863  591.555   65.601  555.200   92.716  628.000   92.830   66.881   5.9323   71.369   5.5520 -4.488449 8.125051 
1 1 1    6   24   30 o   7.7017   1.7216   7.3099   3.0522   9.4000   4.2576   5.1000   4.3779   8.7226   2.0937   6.7932   2.2965 1.929458 3.107631 
1 1 1    6   24   31 o   54.541   3.2482  358.432   41.644  364.000   58.988  352.900   58.800   54.407   4.6356   53.538   4.6986 0.8698578 6.600412 
1 1 1    6   24   32 o   31.520   2.2138  118.962   16.372  110.500   23.170  127.400   23.138   30.109   3.3138   32.425   3.0582 -2.315956 4.509240 
1 1 1    6   24   33 o   12.346   1.6462   18.419   4.6796   15.200   6.5381   21.800   6.7008   11.050   2.5565   13.346   2.2032 -2.295790 3.374878 
1 1 1    6   24   34 o   27.067   2.0284   87.897   12.871   88.800   18.228   87.000   18.175   26.985   2.9064   26.700   2.9310 0.2848511 4.127709 
1 1 1    6   24   35 o   20.806   1.8453   52.005   8.9718   58.500   12.683   45.500   12.693   21.930   2.4936   19.203   2.8886 2.726393 3.816016 
1 1 1    6   24   36 o   13.736   1.6432   22.780   5.2240   26.300   7.4643   19.400   7.3137   14.651   2.2277   12.469   2.5693 2.181621 3.400617 
1 1 1    6   24   37 o   30.122   2.1586  109.350   15.252  109.400   21.573  109.300   21.567   29.809   3.1106   29.795   3.1112 0.1396942E-01 4.399448 
1 1 1    6   24   38 o   44.168   2.7900  237.656   28.949  235.500   40.993  239.800   40.889   43.236   4.0628   43.666   4.0103 -0.4303284 5.708664 
1 1 1    6   24   39 o   42.715   2.7093  222.286   27.186  234.000   38.471  210.600   38.423   43.194   3.8108   40.816   4.0396 2.377552 5.553440 
1 1 1    6   24   40 o   35.026   2.3700  148.950   19.487  148.100   27.556  149.800   27.561   34.414   3.4368   34.625   3.4154 -0.2104416 4.845282 
1 1 1    6   24   41 o   5.7259   1.6332   4.0178   2.3164   8.3000   3.2884  -0.2000   3.2636   8.1710   1.7566   4.2227   1.8154 3.948288 2.526116 
1 1 1    6   24   42 o   19.778   1.8002   47.390   8.3156   50.200   11.781   44.600   11.739   20.120   2.5360   18.883   2.7104 1.236197 3.711813 
1 1 1    6   24   43 o   14.506   1.6030   25.548   5.3990   35.400   7.7375   16.200   7.5371   17.000   1.9636   11.213   2.8427 5.787333 3.454935 
1 1 1    6   24   44 o   27.773   2.0971   94.424   13.652   90.600   19.121   98.400   19.498   26.659   3.0951   27.845   3.0134 -1.186804 4.319767 
1 1 1    6   24   45 o   13.030   1.6543   20.764   4.9752   15.500   6.6403   27.500   7.5119   10.974   2.6020   14.847   2.2101 -3.872563 3.413941 
1 1 1    6   24   46 o   3.8853   1.5677   0.8385   2.2182   1.0000   2.5948   0.4000   4.2752   4.2030   1.6956   4.9694   2.1051 -0.7664204 2.703108 
1 1 1    6   24   47 o   15.005   1.9497   27.981   6.7452   33.700   9.1277   21.100   10.012   16.272   2.4516   12.476   3.3345 3.796450 4.138753 
1 1 1    6   24   48 o   23.062   2.9102   70.200   15.496   70.200   15.496   0.0000   0.0000   23.062   2.9102  ?   ?  0.000000 2.910208 
1 1 1    6   24   49 o   14.153   2.6049   26.800   8.3849   26.800   8.3849   0.0000   0.0000   14.153   2.6049  ?   ?  0.000000 2.604886 
1 1 1    6   24   50 o   9.6714   2.5329   12.900   5.8531   12.900   5.8531   0.0000   0.0000   9.6714   2.5329  ?   ?  0.000000 2.532869 
1 1 1    6   24   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   24   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   25    0 o   40.541   3.8126  199.400   35.757  199.400   35.757  199.400   35.757   40.541   3.8126   40.541   3.8126 0.000000 0.000000 
1 1 1    6   25    1 o  162.913   8.8039  3186.07  337.425  3096.60  477.111  3275.60  477.271  159.153   12.804  163.874   12.426 -4.721268 17.84213 
1 1 1    6   25    2 o  135.429   7.3348  2192.77  233.690  2118.50  330.412  2267.10  330.562  132.192   10.676  136.897   10.301 -4.705215 14.83564 
1 1 1    6   25    3 o  173.761   9.0683  3627.60  370.791  3133.50  523.483  4125.10  525.276  159.520   14.040  184.088   12.152 -24.56787 18.56881 
1 1 1    6   25    4 o  237.926   12.690  6898.82  710.365  7640.00  1005.75  6161.00  1003.47  247.141   17.344  220.197   19.501 26.94398 26.09742 
1 1 1    6   25    5 f  111.625   6.0897  1485.55  159.909  1690.10  226.118  1280.90  226.174  118.655   8.1191  102.909   9.4116 15.74534 12.42967 
1 1 1    6   25    6 o  117.653   5.8362  1644.77  162.141  1336.80  228.537  1956.90  230.074  105.166   9.2986  127.818   7.6580 -22.65231 12.04615 
1 1 1    6   25    7 o  114.024   5.9467  1549.61  159.561  1417.40  224.780  1683.90  226.537  108.406   8.8583  118.399   8.1524 -9.992668 12.03872 
1 1 1    6   25    8 o   74.833   4.1798  665.545   73.564  653.000  103.810  678.200  104.263   73.863   6.0038   75.299   5.9113 -1.436119 8.425492 
1 1 1    6   25    9 o   65.581   3.8147  511.065   58.820  564.800   83.057  457.000   83.312   68.782   5.1511   61.732   5.7826 7.049942 7.744189 
1 1 1    6   25   10 o  134.986   7.1270  2181.23  226.368  2629.10  320.336  1734.50  319.929  147.571   9.2392  118.969   11.533 28.60242 14.77757 
1 1 1    6   25   11 o   57.270   3.3393  389.554   44.963  377.500   63.598  401.600   63.576   56.187   4.8406   57.988   4.6829 -1.800877 6.735079 
1 1 1    6   25   12 o  143.718   7.7743  2482.25  262.855  2496.80  371.802  2467.70  371.665  142.850   11.110  141.981   11.176 0.8693848 15.75835 
1 1 1    6   25   13 o   90.961   4.9025  986.014  104.912  1072.90  148.527  899.500  148.208   94.527   6.6974   86.361   7.3371 8.166275 9.934239 
1 1 1    6   25   14 o  143.849   7.7982  2494.06  263.897  2577.40  373.299  2410.80  373.116  144.801   11.000  139.814   11.401 4.986801 15.84197 
1 1 1    6   25   15 o  221.021   12.226  6066.81  635.607  6173.30  899.063  5960.40  898.704  217.261   17.678  213.051   18.033 4.209991 25.25262 
1 1 1    6   25   16 o   37.126   2.4037  163.758   20.960  175.600   29.695  152.000   29.588   38.348   3.3118   35.623   3.5653 2.725201 4.866167 
1 1 1    6   25   17 o   58.212   3.3852  403.298   46.332  400.500   65.506  406.100   65.541   57.768   4.8469   58.180   4.8139 -0.4115791 6.831259 
1 1 1    6   25   18 o   26.039   2.0522   80.705   12.516   70.200   17.791   91.000   17.612   24.119   3.2029   27.580   2.7406 -3.461359 4.215423 
1 1 1    6   25   19 o   22.183   1.9757   58.677   10.241   69.600   14.338   47.300   14.633   24.104   2.5581   19.705   3.2587 4.399714 4.142842 
1 1 1    6   25   20 o   45.646   2.8032  248.055   30.069  255.800   42.510  240.300   42.537   46.174   3.9364   44.718   4.0730 1.456238 5.664356 
1 1 1    6   25   21 o   77.425   4.2662  718.261   77.697  813.500  109.990  623.400  109.771   81.950   5.7197   71.384   6.5864 10.56644 8.723299 
1 1 1    6   25   22 o   42.244   2.6451  212.594   26.253  206.000   37.110  219.200   37.144   41.376   3.8421   42.716   3.7196 -1.339756 5.347598 
1 1 1    6   25   23 o   73.634   4.1599  651.277   72.035  678.000  101.918  624.600  101.828   74.529   5.8378   71.410   6.0972 3.118805 8.441252 
1 1 1    6   25   24 o   86.237   4.6501  897.388   94.342  1030.00  133.628  765.600  133.213   91.651   6.2112   78.409   7.2778 13.24183 9.567899 
1 1 1    6   25   25 o   68.309   3.9015  560.737   62.671  520.400   88.616  601.100   88.645   65.100   5.8263   70.188   5.3896 -5.087868 7.936846 
1 1 1    6   25   26 o   60.388   3.4741  437.388   49.330  476.400   69.820  398.500   69.708   62.615   4.7577   57.065   5.2313 5.550125 7.071261 
1 1 1    6   25   27 o   36.790   2.4244  161.557   20.943  160.100   29.686  163.000   29.552   36.411   3.4956   36.754   3.4452 -0.3425522 4.908020 
1 1 1    6   25   28 o   31.603   2.1995  119.192   16.312  121.600   23.104  116.800   23.032   31.753   3.1217   31.102   3.1808 0.6517010 4.456777 
1 1 1    6   25   29 o   46.961   2.8739  264.306   31.716  270.100   45.024  258.600   44.685   47.123   4.0867   46.080   4.1512 1.042683 5.825253 
1 1 1    6   25   30 f  117.940   6.7975  1766.85  188.508  1772.40  266.528  1761.30  266.653  113.553   10.043  113.127   10.088 0.4264145 14.23505 
1 1 1    6   25   31 o   12.966   1.7165   20.300   5.1261   18.000   7.2495   22.600   7.2495   12.043   2.6235   13.578   2.3459 -1.535452 3.519357 
1 1 1    6   25   32 o   48.490   2.9704  283.893   33.847  285.800   47.950  282.000   47.786   48.098   4.2661   47.767   4.2819 0.3306122 6.044403 
1 1 1    6   25   33 o   48.208   2.8752  281.032   32.582  250.400   45.990  311.900   46.166   44.788   4.4055   50.300   3.9177 -5.512817 5.895508 
1 1 1    6   25   34 o   33.608   2.3067  135.947   18.195  132.700   25.721  139.200   25.743   32.856   3.3627   33.690   3.2774 -0.8347397 4.695582 
1 1 1    6   25   35 o   15.442   1.7057   28.743   6.1157   26.100   8.6372   31.400   8.6606   14.506   2.6179   16.008   2.3622 -1.502003 3.526096 
1 1 1    6   25   36 o   32.747   2.2703  129.353   17.447  132.300   24.661  126.400   24.686   32.772   3.2287   31.990   3.3161 0.7818832 4.628314 
1 1 1    6   25   37 o   22.808   1.8872   62.595   10.073   67.900   14.253   57.300   14.238   23.569   2.6044   21.548   2.8695 2.020950 3.875186 
1 1 1    6   25   38 o   27.679   2.0404   92.328   13.242   98.600   18.759   86.100   18.694   28.347   2.8407   26.392   3.0562 1.954655 4.172523 
1 1 1    6   25   39 o   33.894   2.2935  139.117   18.248  152.600   25.839  125.700   25.775   35.128   3.1484   31.686   3.5035 3.442011 4.710314 
1 1 1    6   25   40 o   8.0719   1.7541   8.0982   3.2479   13.300   4.5723   2.8000   4.6145   10.362   1.9399   5.9430   2.3034 4.419078 3.011498 
1 1 1    6   25   41 o   3.7038   1.4000   1.1815   1.6762   1.9000   2.5062   0.6000   2.2546   4.5831   1.7162   3.8187   1.5656 0.7643187 2.322996 
1 1 1    6   25   42 o   44.741   2.8061  248.421   29.496  270.400   41.790  226.600   41.639   45.666   3.9132   41.382   4.3251 4.284676 5.832629 
1 1 1    6   25   43 o   37.741   2.3673  175.233   20.991  213.300   29.791  137.700   29.581   41.084   3.0935   32.296   3.9620 8.788498 5.026638 
1 1 1    6   25   44 o   38.770   2.4941  186.245   22.712  168.700   31.679  204.800   32.578   35.802   3.8055   39.776   3.5044 -3.973888 5.173265 
1 1 1    6   25   45 o   35.041   2.4503  152.536   20.147  155.900   28.343  149.100   28.644   34.540   3.5244   33.645   3.6646 0.8954201 5.084323 
1 1 1    6   25   46 o   17.281   1.6204   36.374   6.5349   23.500   8.9898   50.800   9.5161   13.383   2.9263   20.291   2.0126 -6.908584 3.551582 
1 1 1    6   25   47 o   3.0060   1.3389  -0.7000   1.9197  -0.7000   1.9197   0.0000   0.0000   3.0060   1.3389  ?   ?  0.000000 1.338861 
1 1 1    6   25   48 o   26.748   3.2160   98.000   19.906   98.000   19.906   0.0000   0.0000   26.748   3.2160  ?   ?  0.000000 3.215995 
1 1 1    6   25   49 o   11.365   2.6139   17.700   6.8683   17.700   6.8683   0.0000   0.0000   11.365   2.6139  ?   ?  0.000000 2.613857 
1 1 1    6   25   50 o   13.373   2.7859   25.200   8.5120   25.200   8.5120   0.0000   0.0000   13.373   2.7859  ?   ?  0.000000 2.785889 
1 1 1    6   25   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   25   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   26    0 o   9.7632   3.1592   14.300   6.4373   14.300   6.4373   14.300   6.4373   9.7632   3.1592   9.7632   3.1592 0.000000 0.000000 
1 1 1    6   26    1 o  309.353   17.169 11981.54  1249.29 12561.70  1767.85 11402.80  1765.69  307.909   24.517  291.459   25.926 16.45007 35.68266 
1 1 1    6   26    2 o  143.724   7.7632  2474.88  262.493  2585.80  371.507  2364.30  370.936  145.921   10.859  139.309   11.375 6.612732 15.72661 
1 1 1    6   26    3 o   64.298   3.6830  491.049   55.687  522.200   78.819  460.000   78.689   66.141   5.0856   62.002   5.4294 4.138760 7.439140 
1 1 1    6   26    4 f  165.245   8.3749  3278.26  325.722  3923.00  461.900  2640.50  459.392  179.787   10.932  146.314   13.447 33.47284 17.32987 
1 1 1    6   26    5 f   64.048   3.6321  487.220   54.705  530.400   77.527  444.400   77.204   66.672   4.9599   60.927   5.4229 5.744991 7.349053 
1 1 1    6   26    6 o  169.913   9.2491  3481.00  369.699  3631.60  522.493  3330.00  523.174  171.866   12.970  164.205   13.615 7.661026 18.80429 
1 1 1    6   26    7 o  138.376   7.4173  2294.62  241.481  2234.00  340.728  2355.80  342.290  135.441   10.742  139.201   10.490 -3.759827 15.01446 
1 1 1    6   26    8 o  186.385   9.5884  4198.97  420.577  3806.30  593.040  4596.30  596.548  174.846   14.494  193.085   13.162 -18.23943 19.57892 
1 1 1    6   26    9 o  150.893   8.2371  2740.25  292.390  2821.40  412.993  2658.70  414.013  151.718   11.616  147.061   12.027 4.656494 16.72088 
1 1 1    6   26   10 o  105.640   4.8337  1325.56  120.579  1757.60  171.011  898.400  170.043  121.453   5.9628   86.042   8.4795 35.41096 10.36614 
1 1 1    6   26   11 o   46.070   2.7708  252.027   30.003  280.600   42.485  223.600   42.376   48.515   3.7373   43.211   4.2063 5.303501 5.626764 
1 1 1    6   26   12 o  181.334   9.7718  4004.36  416.879  3695.50  589.232  4313.90  589.880  170.905   14.745  185.676   13.547 -14.77119 20.02354 
1 1 1    6   26   13 o  154.623   8.1275  2891.47  295.710  3248.90  418.626  2535.50  417.771  162.368   10.983  142.438   12.549 19.93031 16.67651 
1 1 1    6   26   14 o   74.726   3.9281  664.725   69.071  795.000   97.918  535.700   97.447   81.522   5.1124   66.612   6.2689 14.91077 8.089256 
1 1 1    6   26   15 o  122.404   6.2801  1801.09  180.911  1490.50  255.394  2113.90  256.302  109.825   9.9562  131.791   8.2778 -21.96600 12.94785 
1 1 1    6   26   16 o  149.434   8.1454  2720.93  286.339  2544.80  404.802  2897.30  405.087  141.804   12.208  152.026   11.366 -10.22195 16.68025 
1 1 1    6   26   17 o  111.287   6.0513  1492.81  158.424  1363.40  223.925  1622.50  224.165  104.978   9.1240  115.015   8.3097 -10.03663 12.34091 
1 1 1    6   26   18 o  107.737   5.5580  1397.15  140.916  1640.80  199.677  1155.40  198.896  115.979   7.3287   96.534   8.8229 19.44505 11.46964 
1 1 1    6   26   19 f  162.012   9.2719  3271.39  353.242  3750.40  499.175  2790.90  499.944  169.894   12.531  143.744   14.947 26.14986 19.50525 
1 1 1    6   26   20 o  107.995   5.9771  1414.05  151.833  1410.00  214.762  1418.10  214.685  106.357   8.6256  106.684   8.5949 -0.3271561 12.17672 
1 1 1    6   26   21 o   82.817   4.5725  824.858   89.074  880.700  126.130  769.300  125.809   84.882   6.3385   79.098   6.8019 5.784546 9.297440 
1 1 1    6   26   22 o   34.379   2.3251  140.812   18.765  148.400   26.517  133.200   26.558   35.155   3.2304   33.253   3.4316 1.902073 4.712896 
1 1 1    6   26   23 f   47.118   2.8849  265.047   31.943  255.200   45.167  274.900   45.181   45.944   4.2101   47.740   4.0459 -1.795570 5.839033 
1 1 1    6   26   24 o   17.202   1.7479   35.399   7.0013   34.800   9.8955   36.000   9.9073   16.929   2.5549   17.232   2.5083 -0.3033848 3.580420 
1 1 1    6   26   25 o   11.606   1.7718   16.319   4.7017   13.800   6.8198   18.600   6.4908   10.572   2.7171   12.319   2.3164 -1.746816 3.570475 
1 1 1    6   26   26 o   58.785   3.4364  414.801   47.494  414.300   67.203  415.300   67.130   58.251   4.9320   58.326   4.9200 -0.7504272E-01 6.966397 
1 1 1    6   26   27 o   40.727   2.5988  198.259   24.863  192.200   35.187  204.300   35.137   39.825   3.7872   41.104   3.6583 -1.279259 5.265536 
1 1 1    6   26   28 o   31.542   2.1730  118.780   16.086  131.400   22.813  106.300   22.686   33.036   2.9556   29.610   3.3008 3.425892 4.430673 
1 1 1    6   26   29 o   47.046   2.8602  265.602   31.624  239.200   44.683  292.100   44.765   44.171   4.3399   49.016   3.8998 -4.844501 5.834661 
1 1 1    6   26   30 o   26.277   2.0112   82.596   12.385   80.700   17.498   84.500   17.531   25.786   2.9256   26.409   2.8567 -0.6235275 4.088982 
1 1 1    6   26   31 f   70.159   4.0770  603.350   67.254  607.500   95.109  599.200   95.113   69.052   5.8891   68.537   5.9356 0.5150070 8.361383 
1 1 1    6   26   32 o   33.224   2.2811  132.593   17.788  129.900   25.125  135.300   25.186   32.578   3.3120   33.277   3.2466 -0.6989594 4.637841 
1 1 1    6   26   33 o   19.109   1.7815   43.851   7.9461   45.300   11.233   42.400   11.242   19.265   2.5305   18.603   2.6327 0.6619034 3.651629 
1 1 1    6   26   34 o   17.706   1.8183   37.762   7.4943   44.100   10.508   31.200   10.691   19.022   2.3923   15.806   2.9736 3.215177 3.816479 
1 1 1    6   26   35 o   25.213   2.0126   76.500   11.882   83.100   16.741   69.800   16.868   26.075   2.7608   23.774   3.0769 2.301390 4.133978 
1 1 1    6   26   36 o   25.087   1.9726   75.738   11.591   73.100   16.356   78.400   16.430   24.380   2.8978   25.292   2.7978 -0.9121132 4.027998 
1 1 1    6   26   37 o   6.1179   1.7620   4.5675   2.6838   5.2000   3.5291   3.7000   4.1329   6.6003   2.0494   6.1033   2.2179 0.4969745 3.019812 
1 1 1    6   26   38 o   43.841   2.7700  234.496   28.528  240.400   40.360  228.600   40.330   43.675   3.9563   42.507   4.0676 1.168201 5.674356 
1 1 1    6   26   39 o   8.9286   1.7267   9.8520   3.5087   9.8000   5.0626   9.9000   4.8674   8.8471   2.3739   8.8872   2.3012 -0.4006100E-01 3.306222 
1 1 1    6   26   40 o   36.653   2.4721  164.218   21.271  150.900   30.102  177.500   30.061   34.367   3.7713   37.537   3.4293 -3.170582 5.097330 
1 1 1    6   26   41 o   22.380   1.8824   60.728   9.8557   64.100   13.985   57.400   13.891   22.713   2.6578   21.413   2.8156 1.299492 3.871885 
1 1 1    6   26   42 o   27.613   2.0462   92.955   13.247  100.600   18.790   85.400   18.679   28.328   2.8475   25.936   3.1120 2.392529 4.218201 
1 1 1    6   26   43 o   57.431   3.7255  429.187   50.251  454.600   70.808  403.400   71.327   56.393   5.3827   52.264   5.8817 4.129322 7.972913 
1 1 1    6   26   44 o   42.904   2.8819  231.726   29.028  246.500   40.879  216.700   41.226   42.963   4.0783   39.829   4.4600 3.133953 6.043521 
1 1 1    6   26   45 o   24.220   2.0394   72.128   11.555   73.900   16.008   70.200   16.697   24.063   2.8742   23.300   3.1124 0.7627487 4.236538 
1 1 1    6   26   46 o   17.837   1.9993   39.499   8.2760   50.700   11.462   27.300   11.962   19.987   2.4820   14.062   3.5901 5.925127 4.364550 
1 1 1    6   26   47 o   15.980   2.6394   33.500   9.6117   33.500   9.6117   0.0000   0.0000   15.980   2.6394  ?   ?  0.000000 2.639420 
1 1 1    6   26   48 o   24.403   3.1440   82.600   17.696   82.600   17.696   0.0000   0.0000   24.403   3.1440  ?   ?  0.000000 3.144030 
1 1 1    6   26   49 o   16.654   2.8616   38.600   10.848   38.600   10.848   0.0000   0.0000   16.654   2.8616  ?   ?  0.000000 2.861584 
1 1 1    6   26   50 o   12.913   2.8550   23.900   8.4740   23.900   8.4740   0.0000   0.0000   12.913   2.8550  ?   ?  0.000000 2.855004 
1 1 1    6   26   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   27    0 o  135.400   10.661  2231.60  336.015  2231.60  336.015  2231.60  336.015  135.400   10.661  135.400   10.661 0.000000 0.000000 
1 1 1    6   27    1 f  129.693   6.6806  2011.20  203.899  1653.00  287.521  2373.60  289.199  116.413   10.575  140.308   8.7728 -23.89429 13.73998 
1 1 1    6   27    2 o  131.137   7.0261  2059.00  216.779  1927.30  305.934  2191.80  307.212  125.822   10.390  134.467   9.7412 -8.645378 14.24226 
1 1 1    6   27    3 o   24.144   1.9741   69.346   11.156   77.300   15.732   61.300   15.823   25.428   2.6594   22.558   3.0486 2.870338 4.045497 
1 1 1    6   27    4 o   42.161   2.6723  211.068   26.467  201.200   37.465  220.900   37.396   41.021   3.9152   43.025   3.7172 -2.003727 5.398759 
1 1 1    6   27    5 o   37.520   2.4516  167.159   21.601  176.200   30.705  158.300   30.394   38.425   3.4197   36.385   3.5841 2.040672 4.953824 
1 1 1    6   27    6 o  105.332   5.5599  1323.78  137.801  1469.40  195.432  1179.80  194.333  110.523   7.5332   98.743   8.4147 11.77946 11.29409 
1 1 1    6   27    7 o   85.457   4.6731  869.741   93.943  765.200  132.629  975.000  133.084   79.668   7.1253   90.192   6.2881 -10.52368 9.503169 
1 1 1    6   27    8 o  158.659   8.6743  3042.53  323.753  3104.20  457.176  2980.50  458.539  158.430   12.317  155.043   12.634 3.387680 17.64487 
1 1 1    6   27    9 o  182.221   9.9906  4046.96  428.248  4722.10  605.564  3371.50  605.703  194.616   13.256  162.341   16.009 32.27437 20.78477 
1 1 1    6   27   10 o  175.793   8.9076  3749.01  368.557  4496.10  521.985  3006.30  520.456  190.787   11.642  154.001   14.482 36.78616 18.58139 
1 1 1    6   27   11 o   23.371   1.9075   64.999   10.435   64.100   14.749   65.900   14.767   23.108   2.7574   23.440   2.7183 -0.3319855 3.872013 
1 1 1    6   27   12 o   80.037   4.4706  764.160   84.155  751.000  119.060  777.300  118.966   78.909   6.4460   80.318   6.3238 -1.409416 9.029972 
1 1 1    6   27   13 o   62.793   3.6309  469.531   53.608  475.000   75.600  464.000   76.029   62.895   5.1351   62.138   5.2302 0.7570381 7.329711 
1 1 1    6   27   14 o  134.098   7.2896  2178.37  229.959  2087.90  324.975  2269.10  325.447  129.384   10.734  135.212   10.270 -5.828049 14.85525 
1 1 1    6   27   15 o   79.458   4.3580  754.465   81.456  810.900  115.387  698.400  115.007   81.955   6.0042   75.885   6.4803 6.070114 8.834240 
1 1 1    6   27   16 o  112.022   6.1382  1515.48  161.753  1457.80  228.622  1573.30  228.886  108.482   9.0062  112.924   8.6494 -4.441719 12.48697 
1 1 1    6   27   17 o   93.654   5.1835  1054.99  114.188  1072.50  161.533  1037.50  161.441   93.565   7.3708   91.958   7.5000 1.606445 10.51567 
1 1 1    6   27   18 o   35.974   2.3922  154.020   20.205  143.800   28.603  164.200   28.546   34.582   3.5531   37.020   3.3001 -2.437859 4.849242 
1 1 1    6   27   19 o   41.859   2.7077  208.797   26.621  246.600   37.575  170.700   37.720   45.368   3.5353   37.536   4.3355 7.832180 5.594162 
1 1 1    6   27   20 o   89.489   4.9577  966.531  104.355  1031.80  147.659  901.400  147.502   91.567   6.8793   85.284   7.3976 6.283363 10.10193 
1 1 1    6   27   21 o   89.367   4.9798  965.610  104.670  935.200  147.928  996.100  148.124   86.798   7.2848   89.734   7.0472 -2.936386 10.13561 
1 1 1    6   27   22 o   30.396   2.1686  110.100   15.463  101.200   21.868  119.000   21.868   28.961   3.2540   31.484   2.9767 -2.522926 4.410147 
1 1 1    6   27   23 o   77.892   4.4192  732.273   80.949  680.700  114.505  783.800  114.453   74.099   6.6136   79.815   6.1193 -5.715546 9.010295 
1 1 1    6   27   24 o   22.072   1.8732   58.145   9.6712   58.900   13.726   57.400   13.628   22.093   2.6865   21.802   2.7053 0.2903881 3.812583 
1 1 1    6   27   25 o   46.011   2.8382  253.157   30.687  249.700   43.442  256.600   43.354   45.386   4.0976   46.033   4.0289 -0.6473122 5.746568 
1 1 1    6   27   26 o   41.296   2.6199  203.856   25.415  195.800   35.957  211.900   35.928   40.185   3.8359   41.863   3.6716 -1.678017 5.309904 
1 1 1    6   27   27 o   71.127   4.0815  612.800   68.265  567.300   96.541  658.300   96.541   67.366   6.1362   72.901   5.6523 -5.535019 8.342766 
1 1 1    6   27   28 o   25.147   1.9972   75.591   11.762   72.900   16.766   78.200   16.506   24.511   2.9563   25.434   2.7943 -0.9220657 4.067925 
1 1 1    6   27   29 f   65.970   3.8556  529.331   59.802  514.600   84.661  544.000   84.484   63.979   5.6623   65.920   5.4771 -1.940510 7.877793 
1 1 1    6   27   30 o   40.495   2.5917  197.092   24.653  201.400   34.896  192.800   34.834   40.580   3.6818   39.666   3.7640 0.9133759 5.265315 
1 1 1    6   27   31 o   9.4820   1.9167   11.089   4.1441   8.0000   6.1885   13.600   5.5798   8.3181   2.7284   10.464   2.3191 -2.146141 3.580837 
1 1 1    6   27   32 o   29.695   2.1431  105.908   14.926  110.800   21.432  101.300   20.800   30.119   3.0558   28.768   3.1114 1.350557 4.361044 
1 1 1    6   27   33 o   55.499   3.3319  376.794   43.463  388.600   61.482  365.000   61.449   55.393   4.7462   53.545   4.9148 1.847744 6.832369 
1 1 1    6   27   34 o   69.330   4.0612  598.845   66.197  577.200   93.499  620.600   93.735   65.994   6.0678   68.725   5.8310 -2.731125 8.415393 
1 1 1    6   27   35 o   70.975   4.2155  631.712   70.334  623.000   99.537  640.400   99.396   68.164   6.2537   69.259   6.1413 -1.094688 8.764906 
1 1 1    6   27   36 o   60.090   3.5900  446.934   50.708  431.700   71.674  462.200   71.749   57.488   5.3409   59.705   5.1392 -2.216457 7.411916 
1 1 1    6   27   37 o   25.594   2.0372   79.013   12.210   93.000   17.229   64.900   17.307   27.579   2.6795   22.775   3.3155 4.804089 4.262863 
1 1 1    6   27   38 o   16.491   1.7274   32.859   6.6269   31.600   9.4063   34.100   9.3378   15.947   2.5866   16.617   2.4535 -0.6708984 3.565105 
1 1 1    6   27   39 o   14.110   1.6833   24.154   5.4979   26.700   7.7696   21.600   7.7809   14.683   2.3179   13.098   2.6074 1.584706 3.488716 
1 1 1    6   27   40 f   23.868   1.9187   69.020   10.723   75.100   15.202   63.000   15.126   24.626   2.6563   22.421   2.9269 2.205114 3.952555 
1 1 1    6   27   41 o   36.789   2.4010  166.218   20.744  194.200   29.379  138.400   29.293   39.205   3.2014   32.560   3.8867 6.645294 5.035461 
1 1 1    6   27   42 o   7.2226   1.7301   6.5322   2.9118   3.7000   4.1808   9.2000   4.0577   6.0722   2.2271   8.5399   2.0401 -2.467732 3.020270 
1 1 1    6   27   43 o   13.151   1.6418   21.119   4.9873   13.500   6.6823   30.700   7.4933   10.239   2.7183   15.763   2.0627 -5.523849 3.412330 
1 1 1    6   27   44 o  ?   ?   -3.9005   0.6166  -4.0000   0.6317  -1.9000   2.8329  ?   ?    3.4096   1.5614 0.000000 1.561381 
1 1 1    6   27   45 o   35.408   2.5821  157.896   21.441  181.400   30.166  133.900   30.480   37.040   3.4901   30.991   4.2792 6.049276 5.521974 
1 1 1    6   27   46 o   22.928   1.9909   65.359   10.672   64.500   14.757   66.300   15.451   22.187   2.8849   22.416   2.9939 -0.2287960 4.157665 
1 1 1    6   27   47 f   22.658   3.1062   70.100   16.181   70.100   16.181   0.0000   0.0000   22.658   3.1062  ?   ?  0.000000 3.106167 
1 1 1    6   27   48 o   13.920   2.8270   26.900   8.9754   26.900   8.9754   0.0000   0.0000   13.920   2.8270  ?   ?  0.000000 2.826969 
1 1 1    6   27   49 o   7.2603   2.5284   6.8000   5.3175   6.8000   5.3175   0.0000   0.0000   7.2603   2.5284  ?   ?  0.000000 2.528410 
1 1 1    6   27   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   27   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   28    0 o   43.645   4.0007  231.000   40.435  231.000   40.435  231.000   40.435   43.645   4.0007   43.645   4.0007 0.000000 0.000000 
1 1 1    6   28    1 o  158.025   8.5952  3016.47  319.525  3043.20  452.158  2989.80  451.596  156.897   12.303  155.448   12.406 1.448547 17.47207 
1 1 1    6   28    2 o  137.077   7.2210  2256.57  232.912  2030.90  328.465  2484.80  330.316  128.625   10.917  142.846   9.8529 -14.22041 14.70613 
1 1 1    6   28    3 o  153.738   8.3928  2854.14  303.534  2742.40  429.439  2965.70  429.085  148.791   12.334  155.062   11.807 -6.271210 17.07440 
1 1 1    6   28    4 o  130.176   7.1043  2035.82  217.555  1956.40  307.714  2115.20  307.624  126.366   10.405  131.616   9.9721 -5.249359 14.41186 
1 1 1    6   28    5 o  241.712   12.257  7225.27  697.298  8871.60  989.010  5598.00  983.272  263.843   15.949  204.390   20.656 59.45316 26.09715 
1 1 1    6   28    6 o   96.953   5.3850  1123.23  122.799  1071.00  173.879  1175.20  173.450   94.017   7.9055   98.635   7.5033 -4.617744 10.89933 
1 1 1    6   28    7 o   52.588   3.1036  328.668   38.369  351.400   54.360  306.100   54.165   54.228   4.2800   50.541   4.5885 3.686951 6.274794 
1 1 1    6   28    8 o  131.620   7.2040  2087.38  223.053  2122.70  315.296  2052.00  315.593  131.402   10.242  129.082   10.443 2.320038 14.62760 
1 1 1    6   28    9 o   30.179   2.1275  108.240   15.064  114.000   21.515  102.700   21.099   30.881   2.9879   29.280   3.0987 1.600368 4.304575 
1 1 1    6   28   10 o   77.488   4.2633  716.014   77.708  792.200  109.994  640.100  109.798   81.194   5.7746   72.775   6.4563 8.419670 8.662014 
1 1 1    6   28   11 o   39.905   2.4740  189.214   23.198  155.200   32.741  223.500   32.872   35.932   3.9226   43.294   3.2389 -7.362598 5.086918 
1 1 1    6   28   12 o   89.466   4.2229  952.607   89.213  1222.90  126.577  685.800  125.759  100.995   5.3264   75.028   7.1862 25.96658 8.944923 
1 1 1    6   28   13 o   97.463   5.2633  1139.89  120.682  1306.50  170.804  973.800  170.538  103.733   7.0142   89.025   8.2047 14.70869 10.79427 
1 1 1    6   28   14 o   38.434   2.4830  175.697   22.414  168.400   31.692  183.000   31.705   37.464   3.6278   39.094   3.4705 -1.629581 5.020515 
1 1 1    6   28   15 o   57.855   3.2252  398.792   43.886  318.100   61.966  480.000   62.164   51.257   5.1912   63.307   4.1820 -12.04972 6.666137 
1 1 1    6   28   16 o   96.538   5.3541  1123.30  121.575  1123.40  171.911  1123.20  171.953   95.522   7.6865   95.512   7.6893 0.9849548E-02 10.87233 
1 1 1    6   28   17 o   67.519   3.8508  545.390   61.142  550.900   86.548  539.900   86.388   67.413   5.4845   66.717   5.5334 0.6960526 7.790922 
1 1 1    6   28   18 o   80.161   4.4419  772.126   83.752  882.000  118.510  662.500  118.377   85.127   5.9327   73.316   6.9194 11.81078 9.114540 
1 1 1    6   28   19 o   27.546   2.1028   90.434   13.575   94.600   19.011   86.100   19.391   28.061   2.9114   26.719   3.1328 1.342152 4.276786 
1 1 1    6   28   20 o   77.147   4.3660  716.462   79.209  688.900  112.043  744.000  111.995   74.823   6.4031   77.902   6.1379 -3.078743 8.869773 
1 1 1    6   28   21 o  101.009   5.6342  1243.49  133.851  1278.50  189.321  1208.50  189.267  100.843   8.0166   97.840   8.2696 3.003105 11.51744 
1 1 1    6   28   22 o   18.826   1.7761   42.349   7.8024   34.500   10.999   50.300   11.070   16.794   2.8768   20.454   2.3337 -3.659992 3.704399 
1 1 1    6   28   23 o  105.128   5.8809  1356.77  145.405  1296.60  205.577  1417.00  205.690  100.477   8.7520  105.460   8.3275 -4.982948 12.08075 
1 1 1    6   28   24 o   45.089   2.7877  243.055   29.535  234.400   41.782  251.700   41.756   43.967   4.0705   45.617   3.9143 -1.649719 5.647202 
1 1 1    6   28   25 o   92.723   5.1962  1052.53  113.315  989.900  160.156  1115.30  160.346   88.001   7.7876   93.874   7.2907 -5.873589 10.66777 
1 1 1    6   28   26 o   27.472   2.0645   90.123   13.294   84.800   18.842   95.400   18.760   26.458   3.0730   28.127   2.8646 -1.668800 4.201084 
1 1 1    6   28   27 o   30.126   2.1188  108.440   14.977  124.100   21.222   92.900   21.141   32.098   2.8288   27.626   3.3064 4.472040 4.351395 
1 1 1    6   28   28 o   46.484   2.8614  259.843   31.255  250.600   44.184  269.100   44.219   45.181   4.1891   46.896   4.0323 -1.714298 5.814445 
1 1 1    6   28   29 o   28.849   2.1147   99.699   14.306   99.000   20.211  100.400   20.253   28.530   3.0472   28.737   3.0302 -0.2075710 4.297395 
1 1 1    6   28   30 o   11.358   1.7128   15.675   4.4512   9.4000   6.2579   22.100   6.3325   8.8444   2.7262   13.464   2.0571 -4.619249 3.415243 
1 1 1    6   28   31 o   70.479   4.2380  616.030   70.204  489.900   99.374  741.700   99.193   60.276   7.1193   76.074   5.5603 -15.79849 9.033330 
1 1 1    6   28   32 o   60.009   3.5592  442.194   50.210  450.100   71.263  434.400   70.754   59.337   5.1367   58.233   5.2002 1.104198 7.309394 
1 1 1    6   28   33 o   28.328   2.1017   96.552   13.959   95.900   19.777   97.200   19.704   27.948   3.0461   28.151   3.0108 -0.2031384 4.282957 
1 1 1    6   28   34 o   29.896   2.1547  107.648   15.109  105.800   21.357  109.500   21.378   29.319   3.1333   29.853   3.0766 -0.5344162 4.391250 
1 1 1    6   28   35 o   25.722   2.0222   79.681   12.184   85.900   17.188   73.400   17.273   26.487   2.7901   24.370   3.0698 2.117268 4.148282 
1 1 1    6   28   36 o   26.959   2.0639   87.626   13.039   99.600   18.420   75.600   18.459   28.526   2.7695   24.647   3.2510 3.878920 4.270715 
1 1 1    6   28   37 o   22.123   1.8543   58.996   9.5973   50.100   13.532   68.000   13.613   20.054   2.9454   23.581   2.4821 -3.526703 3.851794 
1 1 1    6   28   38 f   30.560   2.1996  113.298   15.767  113.000   22.225  113.600   22.372   30.093   3.1756   30.167   3.1889 -0.7379341E-01 4.500371 
1 1 1    6   28   39 f   27.988   2.0655   95.052   13.555  101.700   19.240   88.500   19.100   28.599   2.8886   26.558   3.1042 2.041046 4.240260 
1 1 1    6   28   40 o   61.102   3.7798  480.293   54.269  486.300   76.795  474.300   76.700   58.705   5.6081   57.839   5.6894 0.8656883 7.988717 
1 1 1    6   28   41 o   6.3181   1.7579   4.9531   2.7184   1.5000   3.6801   9.1000   4.0329   5.0265   2.0223   8.4972   2.0365 -3.470700 2.870041 
1 1 1    6   28   42 o   25.246   2.0134   77.851   11.903   78.100   16.789   77.600   16.878   24.844   2.9174   24.747   2.9461 0.9680367E-01 4.146188 
1 1 1    6   28   43 o   11.964   1.7353   17.622   4.7592   18.600   6.6566   16.600   6.8068   12.090   2.4161   11.358   2.5948 0.7327156 3.545538 
1 1 1    6   28   44 o   34.666   2.2878  148.837   18.622  131.700   26.031  166.800   26.651   31.591   3.5510   35.955   3.1714 -4.364145 4.761077 
1 1 1    6   28   45 o   26.987   2.0575   90.331   13.013   82.700   17.844   99.000   19.018   25.096   3.0754   27.572   2.9678 -2.475636 4.273852 
1 1 1    6   28   46 o   34.578   2.4209  153.267   19.643  180.400   27.980  126.900   27.582   36.346   3.2959   29.458   4.0743 6.888113 5.240521 
1 1 1    6   28   47 o   15.743   2.8779   34.100   10.304   34.100   10.304   0.0000   0.0000   15.743   2.8779  ?   ?  0.000000 2.877889 
1 1 1    6   28   48 o   2.4105   1.2060  -7.7000   2.8781  -7.7000   2.8781   0.0000   0.0000   2.4105   1.2060  ?   ?  0.000000 1.205975 
1 1 1    6   28   49 o   5.3114   2.1950   1.8000   4.4773   1.8000   4.4773   0.0000   0.0000   5.3114   2.1950  ?   ?  0.000000 2.195014 
1 1 1    6   28   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   29    0 o   54.837   4.7541  364.300   60.497  364.300   60.497  364.300   60.497   54.837   4.7541   54.837   4.7541 0.000000 0.000000 
1 1 1    6   29    1 o  149.743   8.1754  2714.85  287.988  2588.20  407.197  2841.60  407.356  144.109   12.077  151.417   11.478 -7.308289 16.66183 
1 1 1    6   29    2 o  131.123   7.0409  2069.97  217.207  2350.80  307.549  1790.50  306.807  138.713   9.4456  120.285   10.921 18.42782 14.43883 
1 1 1    6   29    3 o  148.482   8.0428  2668.81  280.945  2857.40  397.777  2481.10  396.858  151.952   11.164  141.020   12.033 10.93274 16.41420 
1 1 1    6   29    4 o  104.572   5.1989  1303.58  128.378  989.600  180.878  1622.30  182.237   89.986   8.6177  116.116   6.6744 -26.12968 10.90015 
1 1 1    6   29    5 o   65.584   3.7229  512.054   57.418  474.600   80.991  549.900   81.413   62.816   5.5160   67.729   5.1284 -4.913452 7.531752 
1 1 1    6   29    6 o   77.777   4.3064  721.464   78.783  822.700  111.602  620.900  111.231   82.759   5.7464   71.619   6.6531 11.14046 8.791186 
1 1 1    6   29    7 o   92.882   4.9765  1031.58  108.751  1155.10  154.219  909.400  153.379   97.808   6.7180   86.458   7.5896 11.35040 10.13575 
1 1 1    6   29    8 o   53.175   3.0838  336.297   38.555  399.800   54.634  273.300   54.416   57.856   4.0240   47.625   4.9091 10.23088 6.347590 
1 1 1    6   29    9 o   51.620   2.8949  316.767   35.144  366.000   49.975  268.600   49.431   55.362   3.8466   47.278   4.4812 8.084644 5.905760 
1 1 1    6   29   10 o   38.272   2.4951  174.189   22.426  174.700   32.068  173.700   31.375   38.182   3.5992   38.083   3.5290 0.9929276E-01 5.040648 
1 1 1    6   29   11 o   55.390   3.1480  365.224   41.004  312.600   57.865  418.300   58.113   50.924   4.8715   59.114   4.1903 -8.189732 6.425751 
1 1 1    6   29   12 o   97.497   5.3811  1143.33  123.408  1219.30  174.542  1067.40  174.507   99.866   7.4553   93.157   8.0109 6.709351 10.94329 
1 1 1    6   29   13 o   47.116   2.8517  264.310   31.578  255.400   44.559  273.300   44.758   46.098   4.1375   47.723   4.0088 -1.624916 5.761014 
1 1 1    6   29   14 o   63.890   3.6654  487.543   55.067  527.400   77.884  447.700   77.870   66.134   5.0248   60.777   5.4849 5.356995 7.438597 
1 1 1    6   29   15 o   83.243   4.6388  832.468   90.821  908.600  128.468  756.400  128.414   86.346   6.3452   78.473   7.0036 7.873428 9.450455 
1 1 1    6   29   16 o   77.794   4.3867  726.810   80.255  703.900  113.521  749.700  113.474   75.837   6.3990   78.371   6.1818 -2.534203 8.897286 
1 1 1    6   29   17 o   90.237   5.0175  983.522  106.490  1018.80  150.660  948.300  150.541   90.852   7.0785   87.483   7.3556 3.368607 10.20832 
1 1 1    6   29   18 o   76.538   4.2857  704.405   77.147  773.800  109.177  635.200  109.027   79.626   5.8474   71.824   6.4988 7.801270 8.742208 
1 1 1    6   29   19 o   40.170   2.4292  192.212   22.934  161.600   32.132  224.000   32.743   36.577   3.7744   43.239   3.2303 -6.661598 4.967975 
1 1 1    6   29   20 f   23.168   1.8890   64.010   10.244   57.900   14.441   70.200   14.535   21.878   2.8641   24.172   2.5867 -2.294065 3.859290 
1 1 1    6   29   21 o   50.325   3.0320  302.858   35.863  295.600   50.746  310.100   50.689   49.372   4.3988   50.611   4.2815 -1.239597 6.138489 
1 1 1    6   29   22 o   13.756   1.6993   22.750   5.4026   26.300   7.6953   19.300   7.5867   14.712   2.2895   12.505   2.6515 2.207220 3.503221 
1 1 1    6   29   23 o   23.236   1.9023   64.439   10.346   73.400   14.641   55.500   14.623   24.712   2.5454   21.372   2.9785 3.340725 3.917997 
1 1 1    6   29   24 o   18.877   1.7505   42.594   7.7138   48.300   11.014   37.100   10.807   20.016   2.3767   17.444   2.7115 2.571777 3.605739 
1 1 1    6   29   25 o   17.946   1.7630   38.553   7.3745   35.900   10.435   41.200   10.424   17.157   2.6619   18.445   2.4542 -1.288206 3.620573 
1 1 1    6   29   26 o   55.808   3.3127  375.506   43.460  366.500   61.483  384.500   61.439   54.506   4.8269   55.899   4.6981 -1.393314 6.735807 
1 1 1    6   29   27 f   38.215   2.4173  174.953   21.701  193.200   30.816  157.000   30.566   39.925   3.2981   35.853   3.6618 4.072666 4.928123 
1 1 1    6   29   28 o   15.839   1.7350   30.157   6.3831   27.600   9.0402   32.700   9.0141   14.965   2.6555   16.376   2.4026 -1.410740 3.581075 
1 1 1    6   29   29 o   14.420   1.7020   25.058   5.6839   24.200   8.0770   25.900   8.0001   14.003   2.5361   14.524   2.4177 -0.5211163 3.503862 
1 1 1    6   29   30 o   20.709   1.8358   51.470   8.8840   45.700   12.532   57.300   12.597   19.280   2.8374   21.717   2.5021 -2.436733 3.783074 
1 1 1    6   29   31 o   62.867   3.7348  486.797   55.195  487.300   78.281  486.300   77.836   61.500   5.4467   61.463   5.4184 0.3718567E-01 7.682801 
1 1 1    6   29   32 o   17.722   1.7628   37.795   7.2793   33.600   10.289   42.000   10.300   16.476   2.7408   18.550   2.4083 -2.073965 3.648570 
1 1 1    6   29   33 o   35.428   2.3944  151.567   19.914  156.500   28.113  146.600   28.212   35.617   3.3832   34.401   3.5226 1.215649 4.884150 
1 1 1    6   29   34 f   23.894   1.9248   68.674   10.768   67.300   15.088   70.100   15.373   23.420   2.7827   23.911   2.7743 -0.4909096 3.929384 
1 1 1    6   29   35 o   13.162   1.7062   21.001   5.1781   19.800   7.1829   22.300   7.4715   12.600   2.5024   13.402   2.4512 -0.8023443 3.502876 
1 1 1    6   29   36 o   34.902   2.3712  147.704   19.427  148.800   27.431  146.600   27.517   34.561   3.4054   34.281   3.4459 0.2795601 4.844709 
1 1 1    6   29   37 o   40.248   2.6183  197.949   24.749  197.700   34.905  198.200   35.096   39.509   3.7877   39.548   3.8051 -0.3833008E-01 5.368937 
1 1 1    6   29   38 o   19.323   1.8338   45.224   8.2671   47.100   11.617   43.300   11.767   19.489   2.5884   18.612   2.7611 0.8760986 3.784649 
1 1 1    6   29   39 o   28.092   2.0938   96.041   13.789  100.200   19.522   91.900   19.480   28.284   2.9671   26.999   3.1125 1.284716 4.300151 
1 1 1    6   29   40 o   5.1163   1.5743   3.1416   2.0878   6.1000   3.0398   0.5000   2.8724   6.9852   1.8234   4.1952   1.7479 2.790032 2.525857 
1 1 1    6   29   41 o   24.947   1.9619   75.862   11.464   81.000   16.273   70.800   16.153   25.408   2.7565   23.633   2.9594 1.775213 4.044256 
1 1 1    6   29   42 o   13.603   1.8079   22.739   5.6636   23.400   7.5749   21.900   8.5289   13.596   2.4495   13.006   2.8554 0.5905790 3.762061 
1 1 1    6   29   43 o   13.606   1.7962   22.785   5.6296   21.100   7.4006   25.100   8.6729   12.841   2.5307   13.956   2.7294 -1.115624 3.722127 
1 1 1    6   29   44 o   23.920   1.9805   70.603   11.086   63.000   15.532   78.500   15.828   21.935   3.0837   24.752   2.7548 -2.816616 4.135019 
1 1 1    6   29   45 o   12.578   1.9926   20.027   5.7208   9.6000   8.2246   29.800   7.9626   8.8002   3.1375   15.254   2.2807 -6.453460 3.878859 
1 1 1    6   29   46 o   22.255   3.0565   68.000   15.639   68.000   15.639   0.0000   0.0000   22.255   3.0565  ?   ?  0.000000 3.056512 
1 1 1    6   29   47 o   5.4819   2.1641   2.6000   4.1357   2.6000   4.1357   0.0000   0.0000   5.4819   2.1641  ?   ?  0.000000 2.164104 
1 1 1    6   29   48 o   5.4503   2.2420   2.0000   4.6431   2.0000   4.6431   0.0000   0.0000   5.4503   2.2420  ?   ?  0.000000 2.242043 
1 1 1    6   29   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   30    0 o  108.811   8.7169  1446.40  220.667  1446.40  220.667  1446.40  220.667  108.811   8.7169  108.811   8.7169 0.000000 0.000000 
1 1 1    6   30    1 f   68.730   3.8687  563.004   62.531  624.900   88.573  501.500   88.292   72.150   5.2344   64.451   5.8656 7.699425 7.861562 
1 1 1    6   30    2 o  108.490   5.7883  1413.43  147.750  1224.90  208.282  1604.40  209.625   99.806   8.9320  114.850   7.7753 -15.04353 11.84214 
1 1 1    6   30    3 o   83.033   4.4928  823.531   87.763  979.800  124.424  668.800  123.810   90.237   5.8712   74.115   7.1637 16.12206 9.262237 
1 1 1    6   30    4 o   83.032   4.6560  824.422   90.921  795.200  128.631  853.600  128.533   80.967   6.7905   83.989   6.5323 -3.021095 9.422399 
1 1 1    6   30    5 o   35.356   2.3440  148.606   19.458  164.000   27.790  133.800   27.254   37.045   3.2086   33.388   3.5094 3.656742 4.755075 
1 1 1    6   30    6 o   66.616   3.7069  528.990   58.081  438.200   81.888  620.900   82.392   60.166   5.8373   71.951   4.8782 -11.78497 7.607295 
1 1 1    6   30    7 o  213.072   11.468  5723.35  574.858  6585.00  815.208  4871.10  810.755  222.733   15.598  187.232   18.583 35.50121 24.26193 
1 1 1    6   30    8 o   77.946   4.4181  726.844   80.985  709.500  114.844  744.000  114.217   76.454   6.4208   78.366   6.2234 -1.912605 8.941899 
1 1 1    6   30    9 o   72.184   3.9824  622.370   67.618  670.400   96.010  575.100   95.247   74.548   5.4927   68.898   5.9117 5.650352 8.069557 
1 1 1    6   30   10 o   66.036   3.0878  517.699   48.150  677.300   68.940  365.700   67.278   75.313   3.8898   54.980   5.2458 20.33284 6.530593 
1 1 1    6   30   11 o  135.376   6.2830  2215.54  200.850  2726.80  286.362  1720.50  281.784  148.785   8.1822  116.628   10.339 32.15678 13.18491 
1 1 1    6   30   12 o   81.815   4.3586  802.121   83.902  652.100  118.234  954.300  119.082   72.895   6.9531   88.807   5.7088 -15.91222 8.996443 
1 1 1    6   30   13 o   52.582   3.0810  329.680   38.088  349.200   53.962  310.300   53.769   53.883   4.2762   50.714   4.5379 3.169506 6.235242 
1 1 1    6   30   14 o   66.974   3.8127  536.968   60.049  566.200   84.968  507.800   84.875   68.348   5.3063   64.603   5.6197 3.744759 7.729000 
1 1 1    6   30   15 o   12.722   1.7637   19.520   5.1558   11.300   7.3696   27.400   7.2157   9.7262   2.9510   15.067   2.0839 -5.340343 3.612651 
1 1 1    6   30   16 o   72.269   4.1015  627.151   69.706  631.900   98.564  622.400   98.594   71.928   5.8539   71.361   5.9040 0.5663376 8.314119 
1 1 1    6   30   17 o   28.846   2.0889   99.126   14.132  102.200   20.064   96.100   19.909   29.164   2.9542   28.258   3.0310 0.9058418 4.232515 
1 1 1    6   30   18 o   40.861   2.6022  199.159   24.978  196.500   35.382  201.800   35.266   40.365   3.7552   40.925   3.6889 -0.5597267 5.263965 
1 1 1    6   30   19 o   51.266   3.0911  314.313   37.245  316.300   52.503  312.300   52.844   51.101   4.3938   50.757   4.4540 0.3436623 6.256471 
1 1 1    6   30   20 o   32.686   2.1791  127.317   16.722  146.400   23.732  108.500   23.566   34.942   2.9025   29.950   3.3920 4.992048 4.464287 
1 1 1    6   30   21 f   65.604   3.6867  517.304   56.881  559.000   80.632  476.000   80.252   67.678   5.0826   62.240   5.5176 5.437317 7.501753 
1 1 1    6   30   22 o   48.323   2.8712  279.391   32.615  307.000   46.217  252.000   46.033   50.385   3.9153   45.493   4.3376 4.891335 5.843311 
1 1 1    6   30   23 o   68.552   3.8510  567.256   62.085  654.700   87.899  480.200   87.704   73.061   5.1274   62.050   6.0632 11.01105 7.940589 
1 1 1    6   30   24 o   20.123   1.7598   48.389   8.2782   55.400   11.803   41.600   11.614   21.446   2.3702   18.475   2.7456 2.971270 3.627164 
1 1 1    6   30   25 f   60.134   3.5258  437.146   49.846  457.800   70.501  416.500   70.486   60.869   4.9478   57.901   5.2111 2.967171 7.185873 
1 1 1    6   30   26 o   24.642   1.9637   72.665   11.332   69.900   16.071   75.400   15.981   23.977   2.8973   24.946   2.7591 -0.9698582 4.000828 
1 1 1    6   30   27 o   26.655   2.0234   85.100   12.641   84.100   17.877   86.100   17.877   26.294   2.9289   26.618   2.8905 -0.3242779 4.115072 
1 1 1    6   30   28 o   50.054   3.0722  303.534   36.136  288.400   51.162  318.600   51.048   48.058   4.5631   50.677   4.3067 -2.618778 6.274498 
1 1 1    6   30   29 o   31.438   2.2339  118.782   16.475  110.000   23.343  127.500   23.257   29.913   3.3630   32.326   3.0842 -2.413214 4.563104 
1 1 1    6   30   30 o   32.624   2.2675  128.090   17.360  134.200   24.570  122.000   24.531   33.100   3.1828   31.484   3.3511 1.615585 4.621655 
1 1 1    6   30   31 o   47.528   2.6631  273.234   29.767  332.100   42.567  216.900   41.642   51.981   3.4882   41.522   4.3098 10.45841 5.544544 
1 1 1    6   30   32 o   21.176   1.8466   53.908   9.1412   45.400   12.896   62.500   12.960   19.144   2.9472   22.666   2.4609 -3.521891 3.839504 
1 1 1    6   30   33 o   31.087   2.1738  116.429   15.857  101.800   22.372  131.200   22.480   28.654   3.3708   32.749   2.9382 -4.094810 4.471570 
1 1 1    6   30   34 o   20.687   1.8696   51.548   9.0339   53.700   12.640   49.300   12.916   20.926   2.6151   19.978   2.8161 0.9477539 3.843008 
1 1 1    6   30   35 o   30.159   2.1341  109.834   15.100  102.400   21.262  117.400   21.450   28.726   3.1882   30.870   2.9796 -2.144192 4.363784 
1 1 1    6   30   36 o   29.569   2.1894  105.957   15.178  116.300   21.406   95.500   21.525   30.653   2.9957   27.579   3.3756 3.073734 4.513196 
1 1 1    6   30   37 o   52.520   3.2609  344.114   40.242  349.600   56.840  338.600   56.983   51.462   4.7303   50.524   4.8352 0.9377403 6.764270 
1 1 1    6   30   38 o   7.7499   1.8949   7.5169   3.4388   15.400   4.7994  -0.8000   4.9297   11.165   1.8878   5.0348   2.1974 6.129762 2.896897 
1 1 1    6   30   39 o   17.916   1.7641   38.987   7.3665   35.800   10.317   42.300   10.521   16.857   2.6819   18.430   2.4806 -1.572889 3.653166 
1 1 1    6   30   40 o   12.265   1.6735   18.409   4.7203   14.900   6.5095   22.300   6.8550   10.788   2.5885   13.351   2.2546 -2.563621 3.432715 
1 1 1    6   30   41 f   16.642   1.7647   33.774   6.8290   38.800   9.6347   28.700   9.6808   17.638   2.3735   14.953   2.8457 2.685468 3.705643 
1 1 1    6   30   42 o   31.020   2.2296  118.595   16.223  114.500   22.792  122.800   23.096   29.754   3.2995   30.890   3.2134 -1.135931 4.605686 
1 1 1    6   30   43 o   9.8801   1.9053   12.283   4.2841   13.800   6.2028   10.900   5.9242   10.305   2.5604   9.1843   2.6091 1.120834 3.655552 
1 1 1    6   30   44 o   6.9804   2.0631   6.1636   3.6374   13.800   4.9628  -2.7000   5.3467   10.379   2.0971   4.7655   2.1680 5.613566 3.016265 
1 1 1    6   30   45 f   13.537   1.9513   23.240   6.0574   28.400   8.4556   17.800   8.6817   14.673   2.5319   11.272   3.1433 3.400635 4.036217 
1 1 1    6   30   46 o   13.406   2.8193   24.900   8.6419   24.900   8.6419   0.0000   0.0000   13.406   2.8193  ?   ?  0.000000 2.819340 
1 1 1    6   30   47 o   11.710   2.7672   19.300   7.5304   19.300   7.5304   0.0000   0.0000   11.710   2.7672  ?   ?  0.000000 2.767166 
1 1 1    6   30   48 o   5.3681   2.1734   2.2000   4.2794   2.2000   4.2794   0.0000   0.0000   5.3681   2.1734  ?   ?  0.000000 2.173378 
1 1 1    6   30   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   31    0 o   30.868   3.2949  116.600   23.327  116.600   23.327  116.600   23.327   30.868   3.2949   30.868   3.2949 0.000000 0.000000 
1 1 1    6   31    1 o   53.419   3.1289  339.790   39.296  294.800   55.444  385.200   55.702   49.445   4.8096   56.708   4.1894 -7.262901 6.378309 
1 1 1    6   31    2 o   93.761   5.2177  1056.00  115.065  1066.10  162.704  1045.90  162.748   93.397   7.4391   92.469   7.5185 0.9277039 10.57679 
1 1 1    6   31    3 o   52.279   3.1240  325.522   38.389  335.500   54.368  315.600   54.214   52.856   4.3959   51.227   4.5284 1.629398 6.311123 
1 1 1    6   31    4 o   93.291   5.0917  1045.15  111.743  870.900  157.804  1220.40  158.254   84.062   8.0482  100.223   6.7259 -16.16165 10.48862 
1 1 1    6   31    5 o   84.081   4.7103  847.670   93.144  807.500  131.676  887.900  131.775   81.339   6.9214   85.448   6.5815 -4.108917 9.551060 
1 1 1    6   31    6 o   33.545   2.3130  133.895   18.210  132.700   25.697  135.100   25.809   33.257   3.3163   33.563   3.2991 -0.3052826 4.677823 
1 1 1    6   31    7 o  171.888   9.4952  3684.71  383.905  3959.00  543.807  3412.20  542.046  173.774   13.355  159.856   14.518 13.91743 19.72613 
1 1 1    6   31    8 o  121.049   6.8084  1784.59  193.820  1460.90  274.248  2107.60  273.959  106.862   11.027  130.153   8.9687 -23.29122 14.21355 
1 1 1    6   31    9 o   97.580   4.7125  1140.35  108.586  1390.10  154.538  896.800  152.607  107.048   6.1392   85.247   7.6630 21.80158 9.818915 
1 1 1    6   31   10 o   50.600   2.8790  304.970   34.258  345.200   48.870  266.100   48.036   53.661   3.8829   46.972   4.3814 6.688862 5.854352 
1 1 1    6   31   11 o   84.957   4.8506  869.292   96.906  827.100  137.443  911.000  136.652   81.912   7.1782   86.190   6.7687 -4.277405 9.866184 
1 1 1    6   31   12 o   85.385   4.8140  878.661   96.666  856.900  136.899  900.300  136.513   83.374   7.0188   85.576   6.8119 -2.201439 9.780941 
1 1 1    6   31   13 o   66.784   3.6012  533.526   56.582  610.800   80.427  457.800   79.617   71.117   4.8176   61.286   5.5621 9.831505 7.358456 
1 1 1    6   31   14 o   96.520   3.9883  1114.45   90.901  1534.50  130.309  716.300  126.866  112.890   4.8883   76.000   7.1533 36.88921 8.664034 
1 1 1    6   31   15 o   46.213   2.9348  255.036   31.860  193.800   45.144  315.800   44.969   39.820   4.9047   51.276   3.7398 -11.45582 6.167815 
1 1 1    6   31   16 o  105.978   5.6712  1368.72  141.408  1590.00  200.221  1148.50  199.741  112.915   7.5528   94.811   9.0308 18.10450 11.77287 
1 1 1    6   31   17 o   98.238   5.2904  1173.17  122.272  1015.60  172.655  1331.70  173.183   89.555   8.2575  103.496   7.1297 -13.94188 10.90962 
1 1 1    6   31   18 o   79.026   4.4344  754.338   82.415  663.000  116.480  845.900  116.623   72.941   6.8427   82.945   5.9947 -10.00422 9.097160 
1 1 1    6   31   19 o   41.558   2.5727  206.125   25.123  185.000   35.425  227.500   35.634   39.086   3.8899   43.477   3.5006 -4.391529 5.233096 
1 1 1    6   31   20 o   31.269   2.2072  116.658   16.193  109.100   22.912  124.200   22.888   30.040   3.2835   32.121   3.0543 -2.080933 4.484485 
1 1 1    6   31   21 o   29.872   2.1500  106.505   15.065   93.400   21.309  119.600   21.300   27.747   3.3180   31.535   2.8927 -3.787842 4.401897 
1 1 1    6   31   22 o   56.698   3.3598  386.622   44.782  380.900   63.453  392.300   63.211   55.721   4.8714   56.596   4.7744 -0.8744698 6.820988 
1 1 1    6   31   23 o   44.518   2.7760  237.658   29.037  219.600   41.073  255.700   41.055   42.379   4.1579   45.874   3.8248 -3.495132 5.649536 
1 1 1    6   31   24 o   72.141   4.1463  634.573   70.336  557.100   99.452  712.100   99.487   66.111   6.4529   75.454   5.6241 -9.343254 8.559794 
1 1 1    6   31   25 o   69.869   4.0397  596.382   66.365  586.200   93.774  606.600   93.936   68.001   5.8983   69.261   5.7968 -1.259689 8.269996 
1 1 1    6   31   26 f   15.754   1.8246   29.905   6.6620   17.800   9.5037   41.600   9.3414   11.946   3.2725   18.551   2.1737 -6.605234 3.928664 
1 1 1    6   31   27 o   72.948   4.1910  656.598   71.889  605.000  101.566  708.400  101.767   68.116   6.3891   74.300   5.8476 -6.183685 8.661166 
1 1 1    6   31   28 o   41.037   2.6144  203.177   25.203  219.700   35.666  186.700   35.617   42.281   3.6068   38.805   3.9417 3.476097 5.342847 
1 1 1    6   31   29 o   50.600   3.0538  311.350   36.317  343.700   51.399  279.100   51.320   52.522   4.1789   46.982   4.6885 5.539944 6.280506 
1 1 1    6   31   30 o   21.634   1.8751   56.250   9.4847   42.900   13.413   69.600   13.413   18.545   3.1774   23.959   2.4033 -5.414009 3.983910 
1 1 1    6   31   31 o   26.816   2.0488   86.500   12.875   86.900   18.212   86.100   18.204   26.620   2.9467   26.492   2.9606 0.1284866 4.177089 
1 1 1    6   31   32 o   21.508   1.8710   55.646   9.4077   59.500   13.400   51.900   13.211   22.056   2.6243   20.530   2.7980 1.526140 3.836107 
1 1 1    6   31   33 o   41.113   2.6321  205.122   25.419  211.900   36.021  198.400   35.874   41.232   3.7403   39.818   3.8640 1.414364 5.377815 
1 1 1    6   31   34 o   32.715   2.1645  129.196   16.627  106.200   23.411  152.600   23.618   29.141   3.4705   35.290   2.8588 -6.149035 4.496333 
1 1 1    6   31   35 o   56.294   3.3551  393.695   44.397  364.600   62.621  423.100   62.953   52.490   5.1173   57.020   4.7179 -4.530609 6.960293 
1 1 1    6   31   36 o   39.657   2.5916  192.540   24.136  187.900   34.097  197.200   34.170   38.398   3.8108   39.414   3.7152 -1.016079 5.322092 
1 1 1    6   31   37 o   32.748   2.2894  130.837   17.593  126.700   24.841  135.000   24.920   31.639   3.3771   32.736   3.2673 -1.097263 4.698992 
1 1 1    6   31   38 o   44.772   2.8827  249.562   30.314  259.200   42.844  239.900   42.898   44.461   4.1279   42.557   4.3290 1.904381 5.981627 
1 1 1    6   31   39 o   16.430   1.7664   32.876   6.7455   34.300   9.4545   31.400   9.6269   16.546   2.4976   15.748   2.6850 0.7976265 3.667043 
1 1 1    6   31   40 o   45.053   2.9024  254.450   30.713  254.900   43.448  254.000   43.421   43.666   4.2683   43.581   4.2743 0.8438110E-01 6.040538 
1 1 1    6   31   41 o   34.273   2.3210  144.993   18.673  129.700   26.033  161.200   26.800   31.503   3.5621   35.439   3.2383 -3.935284 4.814089 
1 1 1    6   31   42 o   12.491   1.9866   19.486   5.6632   19.300   7.7412   19.700   8.3065   12.162   2.7589   12.236   2.9161 -0.7427406E-01 4.014386 
1 1 1    6   31   43 o   22.743   2.0085   64.245   10.676   63.900   14.993   64.600   15.205   22.080   2.9493   22.181   2.9782 -0.1011124 4.191469 
1 1 1    6   31   44 o   17.644   1.9061   39.005   7.8152   36.700   11.191   41.200   10.919   16.455   2.9902   17.652   2.7058 -1.197815 4.032735 
1 1 1    6   31   45 o   16.650   1.7243   34.717   6.6813   47.500   9.8688   23.900   9.0782   19.162   2.2223   13.040   3.0093 6.122341 3.740939 
1 1 1    6   31   46 o   6.0706   2.3260   3.8000   4.6667   3.8000   4.6667   0.0000   0.0000   6.0706   2.3260  ?   ?  0.000000 2.326049 
1 1 1    6   31   47 o   7.5071   2.5813   7.4000   5.5338   7.4000   5.5338   0.0000   0.0000   7.5071   2.5813  ?   ?  0.000000 2.581285 
1 1 1    6   31   48 o   9.4141   2.7502   12.700   6.4970   12.700   6.4970   0.0000   0.0000   9.4141   2.7502  ?   ?  0.000000 2.750246 
1 1 1    6   32    0 o   18.212   3.0494   42.400   12.008   42.400   12.008   42.400   12.008   18.212   3.0494   18.212   3.0494 0.000000 0.000000 
1 1 1    6   32    1 o   90.880   4.6533  990.800   99.525  760.100  140.105  1225.80  141.404   78.481   7.6576  100.610   5.9788 -22.12945 9.715236 
1 1 1    6   32    2 o   60.967   3.5467  443.789   50.839  408.900   71.834  478.800   71.960   58.112   5.2928   63.032   4.8725 -4.920124 7.194140 
1 1 1    6   32    3 o   40.667   2.3671  196.615   22.633  149.300   31.578  246.600   32.456   35.188   3.8640   45.468   3.0405 -10.28001 4.916835 
1 1 1    6   32    4 o   32.730   2.2724  127.508   17.454  120.900   24.606  134.200   24.762   31.714   3.3357   33.457   3.1721 -1.743446 4.603163 
1 1 1    6   32    5 o  125.911   6.8426  1935.29  202.679  1737.90  286.085  2134.20  287.182  116.753   10.489  130.393   9.3899 -13.63972 14.07776 
1 1 1    6   32    6 o   54.480   3.1396  353.952   40.219  289.500   56.705  419.200   57.054   48.862   4.9843   59.106   4.1135 -10.24347 6.462547 
1 1 1    6   32    7 o   48.462   2.9006  279.928   33.040  291.000   46.988  269.100   46.468   49.191   4.0820   47.264   4.2075 1.927334 5.862291 
1 1 1    6   32    8 o   77.567   3.7614  717.838   68.895  895.600   98.095  544.800   96.782   86.220   4.8376   66.715   6.2150 19.50496 7.875807 
1 1 1    6   32    9 f  113.812   6.4672  1582.94  173.089  1426.00  245.089  1739.10  244.483  105.607   9.9452  117.598   8.8694 -11.99020 13.32567 
1 1 1    6   32   10 o   64.052   3.4462  490.292   51.932  570.400   73.892  412.100   73.002   68.797   4.5745   58.191   5.3734 10.60636 7.056891 
1 1 1    6   32   11 o   67.544   3.8788  546.961   61.606  536.200   86.965  557.800   87.283   66.330   5.6048   67.697   5.5078 -1.366844 7.858108 
1 1 1    6   32   12 o   78.545   3.8763  737.649   71.895  930.200  102.145  548.600  101.212   87.726   4.9511   66.699   6.5091 21.02674 8.178125 
1 1 1    6   32   13 o   62.985   3.2410  473.946   48.041  579.200   68.455  371.800   67.436   69.382   4.1980   55.224   5.2338 14.15818 6.709416 
1 1 1    6   32   14 o   89.861   5.0692  978.813  107.127  950.900  151.671  1006.60  151.330   87.286   7.4293   89.977   7.1824 -2.691269 10.33348 
1 1 1    6   32   15 o   41.785   2.6964  208.421   26.463  197.200   37.629  219.400   37.222   40.372   3.9998   42.668   3.7319 -2.295731 5.470389 
1 1 1    6   32   16 o   72.989   4.1196  641.702   70.712  669.000  100.183  614.600   99.822   73.830   5.7930   70.628   6.0435 3.201233 8.371540 
1 1 1    6   32   17 o   22.592   2.0037   60.985   10.578   52.900   15.242   68.500   14.694   20.821   3.2026   23.855   2.6535 -3.033373 4.159045 
1 1 1    6   32   18 o   86.687   4.6798  911.575   95.441  762.300  134.738  1061.90  135.211   77.678   7.4365   92.658   6.2157 -14.97997 9.692047 
1 1 1    6   32   19 o   61.631   3.5794  456.886   51.868  467.900   73.399  445.900   73.306   61.807   5.0739   60.272   5.2016 1.534561 7.266432 
1 1 1    6   32   20 o   54.473   3.2176  356.229   41.205  375.300   58.304  337.200   58.240   55.494   4.4877   52.484   4.7507 3.009449 6.535241 
1 1 1    6   32   21 o   96.115   5.4828  1141.50  123.922  1178.50  175.141  1104.40  175.364   95.505   7.8350   92.122   8.1454 3.382774 11.30200 
1 1 1    6   32   22 o   48.404   2.9280  281.448   33.309  244.400   47.073  318.600   47.139   44.553   4.5377   51.170   3.9313 -6.617416 6.003845 
1 1 1    6   32   23 o   68.284   3.9606  567.951   63.588  570.500   89.912  565.400   89.941   67.347   5.7074   67.021   5.7385 0.3259506 8.093495 
1 1 1    6   32   24 o   22.678   1.9142   61.602   10.155   60.600   14.378   62.600   14.345   22.314   2.7896   22.699   2.7311 -0.3845329 3.903951 
1 1 1    6   32   25 o   47.671   2.8888  274.314   32.365  230.900   45.725  317.900   45.816   43.010   4.5724   50.917   3.8388 -7.907429 5.970176 
1 1 1    6   32   26 o   51.236   3.1158  318.362   37.518  299.500   53.076  337.200   53.041   48.904   4.6522   52.094   4.3517 -3.190063 6.370231 
1 1 1    6   32   27 o   66.312   3.9193  542.224   61.098  515.300   86.444  569.100   86.368   63.007   5.8780   66.558   5.5458 -3.551441 8.081230 
1 1 1    6   32   28 o   7.5599   1.8930   7.0824   3.3719   12.800   4.7974   1.5000   4.7403   10.171   2.0679   5.6048   2.2808 4.566255 3.078661 
1 1 1    6   32   29 o   54.076   3.1652  356.651   40.241  314.100   56.811  399.500   57.009   49.637   4.9114   56.493   4.3060 -6.856503 6.531682 
1 1 1    6   32   30 o   15.612   1.7134   29.380   6.2128   30.600   8.8617   28.200   8.7125   15.774   2.4594   15.111   2.5311 0.6621647 3.529191 
1 1 1    6   32   31 o   47.364   2.9303  273.228   32.612  258.900   46.084  287.600   46.156   45.271   4.3650   47.898   4.1210 -2.626781 6.002986 
1 1 1    6   32   32 o   60.692   3.5437  455.014   50.566  404.200   71.381  506.200   71.642   55.486   5.5213   62.826   4.8671 -7.340008 7.360266 
1 1 1    6   32   33 o   43.651   2.7840  232.554   28.547  209.900   40.375  255.200   40.368   40.576   4.2784   45.097   3.8268 -4.521790 5.740144 
1 1 1    6   32   34 o   44.377   2.8323  241.421   29.524  234.600   41.820  248.200   41.688   42.826   4.1890   44.174   4.0413 -1.347828 5.820579 
1 1 1    6   32   35 o   26.615   2.0477   85.806   12.771   86.600   17.997   85.000   18.125   26.395   2.9373   26.123   2.9922 0.2715683 4.193024 
1 1 1    6   32   36 o   18.311   1.7927   40.638   7.6522   51.200   10.828   30.100   10.816   20.422   2.2844   15.333   3.0940 5.089746 3.845977 
1 1 1    6   32   37 o   3.4639   1.3958   0.6473   1.7560  -0.5000   2.3872   2.0000   2.5922   3.4882   1.5256   4.6724   1.7462 -1.184129 2.318716 
1 1 1    6   32   38 o   36.586   2.3800  164.431   20.449  147.000   28.781  182.200   29.060   33.697   3.6767   37.875   3.2817 -4.177727 4.928267 
1 1 1    6   32   39 o   35.561   2.4431  155.959   20.391  157.500   28.751  154.400   28.925   34.948   3.5324   34.546   3.5987 0.4020920 5.042649 
1 1 1    6   32   40 o   6.9994   1.9918   6.1121   3.4495   8.1000   4.9953   4.3000   4.7692   8.0527   2.4265   6.4895   2.3789 1.563171 3.398073 
1 1 1    6   32   41 o   15.706   1.8587   30.366   6.7596   28.500   9.3592   32.400   9.7732   14.855   2.7700   15.893   2.7008 -1.037971 3.868713 
1 1 1    6   32   42 f   30.666   2.3278  117.923   16.731  119.400   23.480  116.400   23.845   29.925   3.3822   29.428   3.5001 0.4968128 4.867228 
1 1 1    6   32   43 o   17.672   1.8511   38.936   7.6102   31.000   10.655   47.200   10.873   15.054   3.1006   19.105   2.4678 -4.050942 3.962785 
1 1 1    6   32   44 o   8.1673   2.1755   8.7880   4.2707   11.100   5.7307   5.9000   6.4049   9.0663   2.5629   7.2624   2.7387 1.803878 3.750830 
1 1 1    6   32   45 o   5.2647   1.9122   3.0371   3.0714   6.7000   4.3821  -0.5000   4.3062   7.1757   2.2913   4.6312   2.0366 2.544518 3.065557 
1 1 1    6   32   46 o   5.6600   2.2802   2.6000   4.6853   2.6000   4.6853   0.0000   0.0000   5.6600   2.2802  ?   ?  0.000000 2.280238 
1 1 1    6   32   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   33    0 o   59.329   5.0946  428.600   70.163  428.600   70.163  428.600   70.163   59.329   5.0946   59.329   5.0946 0.000000 0.000000 
1 1 1    6   33    1 o   28.162   2.1355   94.495   14.096   79.900   19.966  109.000   19.904   25.691   3.3726   30.164   2.8274 -4.473434 4.400983 
1 1 1    6   33    2 o   34.050   2.0962  137.857   16.773  185.900   24.124   92.900   23.336   39.495   2.6012   27.678   3.6603 11.81704 4.490470 
1 1 1    6   33    3 o   27.883   2.1107   92.621   13.794   94.100   19.370   91.100   19.649   27.983   2.9772   27.511   3.0773 0.4712181 4.281752 
1 1 1    6   33    4 o  106.241   5.5144  1367.03  137.865  1082.30  194.122  1656.80  195.830   92.568   8.9944  115.995   7.1849 -23.42723 11.51183 
1 1 1    6   33    5 o   82.496   4.6409  819.364   90.039  771.600  127.287  867.200  127.382   79.138   6.8798   84.130   6.4613 -4.992043 9.438267 
1 1 1    6   33    6 o  128.903   7.2423  2048.24  219.554  1912.20  310.660  2184.00  310.331  121.306   10.964  130.527   10.148 -9.221512 14.93957 
1 1 1    6   33    7 o   83.024   4.4926  829.357   87.749  924.900  124.519  735.100  123.678   87.021   6.0982   77.189   6.8568 9.831520 9.176245 
1 1 1    6   33    8 o   56.077   3.2151  375.642   42.396  413.800   60.122  337.900   59.793   58.584   4.3777   52.777   4.8522 5.806957 6.535104 
1 1 1    6   33    9 o   41.071   2.4171  200.830   23.339  247.800   33.304  155.500   32.717   45.522   3.1169   35.852   3.9289 9.669849 5.015105 
1 1 1    6   33   10 o  133.783   7.2642  2216.47  228.624  2392.10  324.141  2042.60  322.512  136.031   10.164  124.666   11.071 11.36549 15.02924 
1 1 1    6   33   11 o   97.849   5.2874  1162.14  121.715  931.600  171.887  1394.00  172.378   85.653   8.6152  106.191   6.9120 -20.53762 11.04529 
1 1 1    6   33   12 o   48.420   3.1847  280.598   36.210  202.600   51.408  357.400   51.012   40.514   5.5170   54.476   3.9934 -13.96169 6.810644 
1 1 1    6   33   13 o   46.526   2.8383  258.520   31.034  206.200   43.855  311.000   43.922   41.130   4.5939   50.860   3.6821 -9.730202 5.887400 
1 1 1    6   33   14 o   55.684   3.2051  371.080   41.967  397.200   59.604  345.400   59.099   57.272   4.4420   53.288   4.7463 3.983608 6.500688 
1 1 1    6   33   15 o   22.271   1.9866   59.264   10.337   53.900   15.013   64.100   14.255   21.038   3.1163   23.064   2.6665 -2.025526 4.101450 
1 1 1    6   33   16 o   57.473   3.0713  395.221   41.531  477.800   59.182  315.100   58.294   62.928   4.0035   50.752   4.9262 12.17599 6.347907 
1 1 1    6   33   17 o   89.327   5.0499  973.648  106.083  974.200  150.371  973.100  149.679   87.817   7.3180   87.792   7.2860 0.2539063E-01 10.32660 
1 1 1    6   33   18 o   14.943   1.7916   26.847   6.1958   27.300   8.7897   26.400   8.7350   14.934   2.5862   14.675   2.6167 0.2593775 3.679086 
1 1 1    6   33   19 o   26.290   1.9104   82.451   11.779   98.500   17.021   67.700   16.318   28.644   2.5429   23.616   2.9933 5.027529 3.927592 
1 1 1    6   33   20 o   66.784   3.6421  538.973   57.220  602.000   81.600  478.000   80.259   69.913   4.9752   61.949   5.5452 7.964355 7.449911 
1 1 1    6   33   21 o   12.771   1.8142   19.746   5.3171   21.200   8.0096   18.600   7.1095   13.086   2.6821   12.262   2.5390 0.8240681 3.693248 
1 1 1    6   33   22 o   80.054   4.6064  789.652   86.710  794.700  122.604  784.600  122.650   78.549   6.6732   77.997   6.7250 0.5529251 9.474032 
1 1 1    6   33   23 o   48.752   2.9788  286.995   34.129  272.600   48.257  301.400   48.274   46.896   4.4095   49.449   4.1732 -2.552231 6.071165 
1 1 1    6   33   24 o   29.568   2.1485  104.852   14.898  106.000   21.052  103.700   21.087   29.497   3.0673   29.160   3.1104 0.3375149 4.368397 
1 1 1    6   33   25 o   32.701   2.2188  128.373   17.031  101.700   24.029  155.300   24.143   28.676   3.6300   35.789   2.8812 -7.113689 4.634446 
1 1 1    6   33   26 o   5.3417   1.7778   3.2131   2.6241   1.0000   3.9260   5.0000   3.5278   5.0285   2.0643   6.5130   2.0533 -1.484511 2.911598 
1 1 1    6   33   27 o   29.524   2.1296  104.764   14.747  112.500   20.904   97.100   20.806   30.360   2.9533   28.108   3.1913 2.252321 4.348153 
1 1 1    6   33   28 o   8.4230   1.8164   8.7789   3.5064   4.5000   4.9467   13.100   4.9711   6.7042   2.4280   10.282   2.1179 -3.577888 3.221932 
1 1 1    6   33   29 o   35.594   2.3918  152.894   19.986  165.400   28.272  140.400   28.258   36.679   3.2995   33.637   3.6143 3.041519 4.893817 
1 1 1    6   33   30 o   18.156   1.7801   39.686   7.5336   42.800   10.678   36.600   10.630   18.700   2.4794   17.210   2.7051 1.490238 3.669428 
1 1 1    6   33   31 o   28.976   2.0341  101.017   13.830   77.600   19.463  124.900   19.656   24.947   3.3919   32.048   2.6202 -7.101875 4.286105 
1 1 1    6   33   32 o   70.851   4.2397  635.843   70.607  651.100   99.877  620.600   99.829   69.145   6.1823   67.239   6.3630 1.905869 8.871793 
1 1 1    6   33   33 o   55.041   3.3736  376.409   43.636  327.100   61.716  425.700   61.705   49.469   5.3695   57.360   4.5942 -7.890717 7.066681 
1 1 1    6   33   34 o   5.7914   1.8085   3.9949   2.7437   10.700   3.8964  -2.6000   3.8642   9.2879   1.8416   3.9878   1.8252 5.300100 2.592868 
1 1 1    6   33   35 o   23.597   1.8776   67.387   10.376   60.200   14.514   74.900   14.839   21.939   2.8704   24.626   2.5906 -2.686552 3.866600 
1 1 1    6   33   36 o   14.958   1.6717   27.169   5.8036   21.600   7.9863   33.400   8.4482   13.034   2.6843   16.441   2.2339 -3.407801 3.492184 
1 1 1    6   33   37 o   22.302   1.8780   60.432   9.7978   55.700   13.759   65.300   13.955   21.027   2.8441   22.891   2.6295 -1.863792 3.873411 
1 1 1    6   33   38 f   31.617   2.2431  122.505   16.638  113.700   23.471  131.400   23.590   29.765   3.4004   32.201   3.1425 -2.435616 4.630064 
1 1 1    6   33   39 o   30.588   2.2966  115.293   16.467   98.800   23.391  131.500   23.187   27.409   3.7093   32.150   3.0924 -4.741154 4.829248 
1 1 1    6   33   40 o   3.8134   1.6129   0.1828   2.5034  -0.5000   3.6333   0.8000   3.4542   4.3418   1.8909   4.6424   1.9240 -0.3005505 2.697665 
1 1 1    6   33   41 o   8.4494   2.0386   9.1177   4.0207   7.1000   5.6418   11.200   5.7316   7.6803   2.6070   9.2822   2.5408 -1.601898 3.640304 
1 1 1    6   33   42 o   31.156   2.4237  123.940   17.691  129.600   24.623  117.900   25.434   30.725   3.4536   28.858   3.8269 1.867786 5.154858 
1 1 1    6   33   43 f   21.243   1.8928   56.675   9.3951   75.300   13.484   39.100   13.098   24.086   2.4028   16.490   3.4734 7.596268 4.223509 
1 1 1    6   33   44 o   9.4926   2.1360   11.901   4.6723   4.1000   6.4888   20.300   6.7332   6.7231   2.6923   12.328   2.3994 -5.604431 3.606287 
1 1 1    6   33   45 o   4.1731   1.8470  -0.7000   3.5969  -0.7000   3.5969   0.0000   0.0000   4.1731   1.8470  ?   ?  0.000000 1.846965 
1 1 1    6   33   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   34    0 o   47.317   4.2550  272.600   46.658  272.600   46.658  272.600   46.658   47.317   4.2550   47.317   4.2550 0.000000 0.000000 
1 1 1    6   34    1 f   27.545   2.0859   90.415   13.467  106.900   19.124   74.200   18.967   29.874   2.7416   24.739   3.3315 5.134668 4.314497 
1 1 1    6   34    2 o   95.196   5.0815  1095.82  113.814  1272.00  161.622  922.500  160.301  101.677   6.7703   85.826   8.0019 15.85075 10.48174 
1 1 1    6   34    3 o   40.180   2.4760  192.314   23.378  234.100   33.237  151.400   32.889   44.225   3.2044   35.354   4.0105 8.870983 5.133490 
1 1 1    6   34    4 o   24.786   2.0423   73.279   11.847   71.400   16.662   75.200   16.847   24.325   2.9619   24.982   2.9103 -0.6569633 4.152474 
1 1 1    6   34    5 o   99.281   5.4811  1197.33  127.999  1254.90  181.358  1140.20  180.681  100.293   7.7170   95.314   8.1046 4.978546 11.19095 
1 1 1    6   34    6 o   45.060   2.7087  242.126   28.688  281.400   40.687  203.300   40.455   48.419   3.5841   40.964   4.2438 7.455177 5.554797 
1 1 1    6   34    7 o  126.006   6.5984  1952.42  195.649  2219.40  277.571  1688.80  275.818  132.208   8.9437  113.900   10.369 18.30808 13.69295 
1 1 1    6   34    8 o   61.298   3.2691  449.193   47.148  542.400   67.008  357.800   66.353   67.100   4.2510   54.136   5.2568 12.96371 6.760551 
1 1 1    6   34    9 o   16.217   1.8083   31.531   6.8070   32.000   9.8360   31.100   9.4299   16.201   2.6637   15.980   2.5875 0.2211647 3.713592 
1 1 1    6   34   10 o   48.646   2.9638  282.804   33.883  282.300   48.109  283.300   47.729   48.296   4.2622   48.394   4.2189 -0.9790421E-01 5.997143 
1 1 1    6   34   11 o   32.725   2.2420  127.662   17.221  133.300   24.665  122.300   24.055   33.287   3.1765   31.859   3.2427 1.428474 4.539299 
1 1 1    6   34   12 o   35.258   2.4261  148.347   20.076  136.200   28.568  160.200   28.219   33.542   3.6666   36.485   3.3115 -2.943268 4.940614 
1 1 1    6   34   13 f  147.369   7.8231  2740.54  271.264  3118.60  385.093  2368.20  382.173  153.008   10.726  130.602   12.547 22.40587 16.50659 
1 1 1    6   34   14 o   47.815   2.7186  273.086   30.569  322.600   43.761  225.900   42.720   51.767   3.6023   43.100   4.2529 8.667656 5.573527 
1 1 1    6   34   15 o   19.890   1.8013   47.270   8.3685   55.300   11.973   39.600   11.701   21.435   2.4070   18.013   2.8455 3.422409 3.727027 
1 1 1    6   34   16 o   73.882   4.1596  660.685   72.275  688.200  102.618  633.600  101.811   74.515   5.8797   71.352   6.1013 3.162819 8.473312 
1 1 1    6   34   17 o   43.163   2.8038  223.313   28.423  195.800   40.354  250.400   40.039   39.978   4.3446   45.454   3.7643 -5.475651 5.748489 
1 1 1    6   34   18 o   26.118   2.0334   81.532   12.442   84.300   18.001   79.000   17.216   26.389   2.9387   25.543   2.9059 0.8460102 4.132819 
1 1 1    6   34   19 o   34.049   2.3286  138.768   18.610  140.900   26.522  136.700   26.120   34.071   3.3395   33.554   3.3410 0.5167770 4.723827 
1 1 1    6   34   20 o   49.695   3.0259  297.554   35.339  296.800   50.117  298.300   49.839   49.105   4.3677   49.248   4.3297 -0.1421661 6.150008 
1 1 1    6   34   21 o   36.782   2.4182  162.340   20.886  171.300   29.722  153.600   29.356   37.504   3.3929   35.445   3.5553 2.059151 4.914459 
1 1 1    6   34   22 o   42.976   2.7358  222.536   27.619  223.200   39.474  221.900   38.658   42.573   3.9724   42.481   3.8972 0.9261322E-01 5.564879 
1 1 1    6   34   23 o   13.507   1.8070   22.084   5.6189   25.700   8.2823   19.000   7.6481   14.444   2.5199   12.347   2.6986 2.097553 3.692174 
1 1 1    6   34   24 o   18.657   1.8613   41.868   8.0909   37.000   11.587   46.500   11.303   17.284   2.9446   19.535   2.5082 -2.250553 3.868057 
1 1 1    6   34   25 o   28.014   2.1424   94.345   14.064   88.400   20.054  100.100   19.730   26.806   3.2335   28.634   2.9608 -1.828894 4.384212 
1 1 1    6   34   26 o   85.368   5.0920  926.535  102.180  899.300  144.864  953.500  144.146   80.524   7.7129   83.418   7.3944 -2.894165 10.68487 
1 1 1    6   34   27 o   31.860   2.2441  122.201   16.775  121.100   23.735  123.300   23.711   31.388   3.2494   31.688   3.2132 -0.3001213 4.569828 
1 1 1    6   34   28 o   70.001   4.1215  610.474   67.826  625.000   96.005  596.000   95.835   68.922   5.9575   67.116   6.1140 1.805878 8.536525 
1 1 1    6   34   29 f   22.337   1.9330   60.050   10.095   55.600   14.360   64.400   14.196   21.219   2.9452   22.947   2.6697 -1.727890 3.975091 
1 1 1    6   34   30 o   61.685   3.6958  472.147   53.585  431.000   75.778  513.300   75.783   57.075   5.6988   62.933   5.1445 -5.858265 7.677370 
1 1 1    6   34   31 o   55.310   3.3617  378.447   43.698  372.300   61.783  384.600   61.813   53.472   4.9492   54.443   4.8592 -0.9710999 6.935943 
1 1 1    6   34   32 o   18.746   1.8053   42.447   7.8925   43.400   11.180   41.500   11.144   18.738   2.5963   18.298   2.6568 0.4408379 3.714774 
1 1 1    6   34   33 o   21.955   1.8779   58.268   9.6420   47.500   13.616   69.100   13.656   19.420   3.0713   23.731   2.4734 -4.310692 3.943372 
1 1 1    6   34   34 o   10.045   1.8513   12.498   4.2296   15.200   5.7877   9.4000   6.1962   10.997   2.3026   8.7455   2.7155 2.251765 3.560329 
1 1 1    6   34   35 o   5.8556   1.7195   4.1913   2.5339  -1.3000   3.3947   11.100   3.8077   3.9836   1.7769   9.4637   1.7689 -5.480134 2.507273 
1 1 1    6   34   36 o   27.791   2.1021   94.195   13.693   93.400   19.306   95.000   19.424   27.201   3.0588   27.440   3.0493 -0.2395802 4.319075 
1 1 1    6   34   37 o   10.283   1.7590   13.071   4.1175   15.200   5.8638   11.000   5.7831   10.959   2.3372   9.3047   2.5544 1.654531 3.462270 
1 1 1    6   34   38 o   33.833   2.4038  141.379   19.080  142.600   27.224  140.200   26.747   33.162   3.5309   32.908   3.4955 0.2536888 4.968528 
1 1 1    6   34   39 o   17.272   1.8084   36.526   7.2662   35.600   10.427   37.400   10.131   16.679   2.7429   17.178   2.5772 -0.4994526 3.763647 
1 1 1    6   34   40 o   9.3504   1.9218   11.058   4.1013   10.800   5.8924   11.300   5.7121   9.1292   2.6051   9.3301   2.5293 -0.2008686 3.630955 
1 1 1    6   34   41 o   13.412   1.8646   22.529   5.7455   22.000   8.3732   23.000   7.8982   12.805   2.8432   13.210   2.6245 -0.4045658 3.869331 
1 1 1    6   34   42 o   3.1450   1.4610  -2.1500   2.6108  -4.0000   3.6922  -0.3000   3.6922   3.5268   1.6694   4.3770   1.9062 -0.8501580 2.533831 
1 1 1    6   34   43 f   21.981   2.0362   61.583   10.449   72.400   14.894   51.100   14.662   23.148   2.7805   18.821   3.4253 4.327421 4.411732 
1 1 1    6   34   44 o   10.713   2.7475   16.100   6.9838   0.0000   0.0000   16.100   6.9838  ?   ?    10.713   2.7475 0.000000 2.747469 
1 1 1    6   34   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   35    0 o   53.238   4.6809  345.600   57.798  345.600   57.798  345.600   57.798   53.238   4.6809   53.238   4.6809 0.000000 0.000000 
1 1 1    6   35    1 o   92.659   5.1934  1041.99  113.174  1130.00  160.239  954.400  159.866   95.357   7.1687   87.163   7.8514 8.194107 10.63180 
1 1 1    6   35    2 o   77.114   4.3771  716.773   79.376  623.800  112.178  810.000  112.331   70.904   6.7828   81.334   5.8886 -10.43041 8.982289 
1 1 1    6   35    3 o   48.066   2.9544  276.015   33.370  286.600   47.158  265.400   47.225   48.712   4.1390   46.815   4.3207 1.896847 5.983304 
1 1 1    6   35    4 o   86.342   4.8529  902.477   98.543  842.100  139.105  963.300  139.617   82.162   7.2440   88.213   6.7539 -6.051125 9.904054 
1 1 1    6   35    5 o   20.817   1.8944   51.763   9.2107   30.500   13.061   72.800   12.991   15.668   3.6050   24.670   2.2551 -9.001415 4.252217 
1 1 1    6   35    6 o   73.811   3.5111  650.928   61.197  845.200   87.439  464.400   85.678   83.701   4.4399   61.398   5.9857 22.30298 7.452579 
1 1 1    6   35    7 f   24.759   2.0086   73.138   11.642   64.500   16.550   81.600   16.380   23.059   3.1196   26.059   2.7011 -2.999699 4.126475 
1 1 1    6   35    8 o   51.589   3.1726  318.586   38.461  295.500   54.615  341.300   54.173   49.256   4.7547   53.089   4.3598 -3.833717 6.450946 
1 1 1    6   35    9 o   31.883   2.1523  121.141   16.109  138.200   22.959  104.600   22.609   33.944   2.8920   29.416   3.3125 4.527842 4.397263 
1 1 1    6   35   10 o   30.366   2.2212  110.029   15.817  105.600   22.442  114.400   22.295   29.560   3.2698   30.814   3.1064 -1.254126 4.510149 
1 1 1    6   35   11 o   50.337   3.0870  303.505   36.517  282.600   51.773  324.200   51.512   48.141   4.6107   51.707   4.2567 -3.565750 6.275241 
1 1 1    6   35   12 o   51.637   3.1056  319.514   37.692  315.600   53.403  323.400   53.206   50.915   4.4877   51.570   4.4117 -0.6553612 6.293066 
1 1 1    6   35   13 o   39.726   2.5475  188.578   23.772  194.300   33.834  183.000   33.407   40.090   3.6128   38.880   3.6827 1.210133 5.158945 
1 1 1    6   35   14 o   91.439   5.0548  1023.59  108.720  1104.00  154.198  944.100  153.313   93.445   7.0398   85.880   7.6398 7.565224 10.38872 
1 1 1    6   35   15 o   60.484   3.5687  441.349   50.744  409.700   71.819  472.900   71.708   57.507   5.3501   62.024   4.9369 -4.517040 7.279868 
1 1 1    6   35   16 o   22.650   1.9940   61.408   10.556   58.500   15.376   64.000   14.517   21.898   3.0568   22.994   2.7269 -1.095394 4.096332 
1 1 1    6   35   17 o   34.251   2.4437  140.603   19.634  108.400   27.900  172.200   27.636   29.625   4.0981   37.754   3.1281 -8.129345 5.155513 
1 1 1    6   35   18 o   47.238   2.8408  268.292   31.540  283.700   44.989  253.400   44.230   48.167   3.9914   45.434   4.1692 2.733398 5.771732 
1 1 1    6   35   19 o   23.481   1.9723   66.064   10.835   62.700   15.474   69.300   15.176   22.662   2.9625   23.897   2.7389 -1.235081 4.034584 
1 1 1    6   35   20 o   39.670   2.2789  188.498   21.258  238.500   30.590  141.800   29.562   44.440   2.9315   33.953   3.7497 10.48664 4.759607 
1 1 1    6   35   21 o   22.286   1.8595   59.509   9.6963   67.100   14.101   52.700   13.355   23.525   2.5808   20.765   2.7946 2.760204 3.803973 
1 1 1    6   35   22 o   17.226   1.8066   35.695   7.2393   33.400   10.342   37.900   10.137   16.453   2.7597   17.611   2.5083 -1.157829 3.729267 
1 1 1    6   35   23 o   23.734   1.9938   67.662   11.070   61.700   15.808   73.400   15.508   22.391   3.0707   24.554   2.7204 -2.162594 4.102402 
1 1 1    6   35   24 o   19.137   2.0387   44.209   9.0706   34.800   13.525   51.900   12.228   16.586   3.5598   20.630   2.5656 -4.044559 4.388012 
1 1 1    6   35   25 o   41.909   2.6969  212.494   26.548  212.900   37.827  212.100   37.269   41.408   3.9150   41.357   3.8608 0.5117416E-01 5.498488 
1 1 1    6   35   26 o   26.259   2.0397   82.900   12.548   82.900   17.953   82.900   17.546   26.000   2.9779   26.023   2.9049 -0.2297401E-01 4.160058 
1 1 1    6   35   27 o   4.0040   1.6580   0.4952   2.5616   0.7000   3.6672   0.3000   3.5796   4.7791   1.9817   4.5963   1.9355 0.1828213 2.770108 
1 1 1    6   35   28 o   62.490   3.8084  484.164   55.929  445.100   79.263  522.900   78.929   58.065   5.8611   63.559   5.3075 -5.493992 7.907110 
1 1 1    6   35   29 o   65.418   3.9428  534.901   60.622  523.400   85.924  546.300   85.541   62.655   5.8762   64.233   5.6988 -1.577984 8.185768 
1 1 1    6   35   30 o   44.869   2.8789  246.419   30.341  235.200   43.042  257.500   42.776   42.913   4.3057   45.100   4.0601 -2.187321 5.918048 
1 1 1    6   35   31 o   1.9252   0.8901  -0.7948   0.9521 -10.7000   3.3078   0.1000   0.9942   2.4348   1.2280   2.4410   1.0236 -0.6193399E-02 1.598659 
1 1 1    6   35   32 o   23.137   2.0660   64.968   11.169   57.700   16.234   71.500   15.389   21.337   3.3310   24.036   2.7616 -2.699028 4.326894 
1 1 1    6   35   33 o   8.4643   1.9639   8.9697   3.8493   5.5000   5.5438   12.200   5.3490   7.1948   2.5748   9.8312   2.3382 -2.636395 3.478043 
1 1 1    6   35   34 o   8.5758   1.7914   9.1631   3.5106   7.5000   5.0657   10.700   4.8696   7.8475   2.4584   9.2055   2.2574 -1.358070 3.337648 
1 1 1    6   35   35 o   5.7129   2.1479   3.0000   3.9335   0.0000   0.0000   3.0000   3.9335  ?   ?    5.7129   2.1479 0.000000 2.147895 
1 1 1    6   35   36 o   4.7771   1.7839   2.1076   2.7043   1.1000   3.9460   3.0000   3.7135   5.0313   2.0680   5.6202   2.0921 -0.5889125 2.941636 
1 1 1    6   35   37 o   25.513   2.9872   82.600   17.656   0.0000   0.0000   82.600   17.656  ?   ?    25.513   2.9872 0.000000 2.987219 
1 1 1    6   35   38 o   21.294   2.0503   55.814   10.182   41.800   14.653   68.900   14.160   17.642   3.6382   23.400   2.6068 -5.758339 4.475678 
1 1 1    6   35   39 o   12.112   2.8037   19.300   7.8605   0.0000   0.0000   19.300   7.8605  ?   ?    12.112   2.8037 0.000000 2.803707 
1 1 1    6   35   40 o   5.4621   2.0022   3.0900   3.3785   7.2000   4.2926  -3.6000   5.4766   7.5087   2.2464   4.6585   2.1471 2.850227 3.107484 
1 1 1    6   35   41 o   10.375   2.8988   14.800   7.3760   0.0000   0.0000   14.800   7.3760  ?   ?    10.375   2.8988 0.000000 2.898777 
1 1 1    6   35   42 o   6.4451   2.2849   4.9000   4.3560   0.0000   0.0000   4.9000   4.3560  ?   ?    6.4451   2.2849 0.000000 2.284897 
1 1 1    6   35   43 o   12.373   2.6688   21.100   7.5685   0.0000   0.0000   21.100   7.5685  ?   ?    12.373   2.6688 0.000000 2.668806 
1 1 1    6   35   44 o   6.9500   2.6018   5.6000   5.7596   0.0000   0.0000   5.6000   5.7596  ?   ?    6.9500   2.6018 0.000000 2.601789 
1 1 1    6   36    0 o   58.213   5.0028  413.900   67.602  413.900   67.602  413.900   67.602   58.213   5.0028   58.213   5.0028 0.000000 0.000000 
1 1 1    6   36    1 o   19.797   1.9067   46.870   8.8029   46.200   12.649   47.500   12.259   19.503   2.8291   19.806   2.6907 -0.3031807 3.904336 
1 1 1    6   36    2 o   51.946   2.9968  322.611   36.603  362.100   52.301  284.700   51.245   54.765   4.0735   48.390   4.5377 6.374374 6.097855 
1 1 1    6   36    3 o  108.183   6.1397  1440.69  156.199  1387.30  221.182  1493.80  220.615  103.646   9.1305  107.965   8.7281 -4.318840 12.63111 
1 1 1    6   36    4 o   53.179   3.1738  338.646   39.673  343.100   56.452  334.300   55.766   53.143   4.5422   52.451   4.5475 0.6922188 6.427406 
1 1 1    6   36    5 o   37.679   2.4855  169.473   21.991  157.500   31.129  181.400   31.070   36.073   3.7072   38.804   3.4260 -2.731079 5.047821 
1 1 1    6   36    6 o   35.349   2.3832  149.126   19.777  152.300   28.309  146.100   27.640   35.529   3.4164   34.793   3.4080 0.7354317 4.825593 
1 1 1    6   36    7 o  127.006   6.7966  2009.01  203.095  2237.60  288.234  1783.60  286.217  131.049   9.3763  115.443   10.618 15.60550 14.16565 
1 1 1    6   36    8 o   28.362   2.1933   96.071   14.575   86.500   20.920  105.100   20.318   26.682   3.3973   29.543   2.9520 -2.861094 4.500649 
1 1 1    6   36    9 o   66.775   3.6105  536.164   56.719  613.100   80.683  461.000   79.749   70.918   4.8470   61.128   5.5867 9.790302 7.396286 
1 1 1    6   36   10 o   43.452   2.6288  225.661   26.846  249.700   38.240  202.300   37.697   45.485   3.5894   40.811   3.9616 4.673962 5.345858 
1 1 1    6   36   11 o   24.342   2.0243   70.821   11.530   67.600   16.633   73.800   15.998   23.591   3.0576   24.721   2.7894 -1.129297 4.138822 
1 1 1    6   36   12 o   44.809   2.7945  240.607   29.422  244.600   41.835  236.700   41.386   44.843   3.9926   44.099   4.0184 0.7436295 5.664648 
1 1 1    6   36   13 f   51.194   2.9713  314.583   35.765  344.600   51.072  285.700   50.099   53.207   4.0965   48.289   4.4435 4.918091 6.043632 
1 1 1    6   36   14 o   33.248   1.9808  131.804   15.481  179.100   22.260   87.500   21.544   38.684   2.4495   26.746   3.4947 11.93789 4.267692 
1 1 1    6   36   15 o   21.895   1.8743   57.358   9.5975   62.300   13.779   52.700   13.376   22.691   2.6197   20.808   2.7928 1.882301 3.829145 
1 1 1    6   36   16 o   25.552   2.1065   78.245   12.597   65.200   18.024   90.700   17.612   23.014   3.4208   27.388   2.7609 -4.373945 4.395952 
1 1 1    6   36   17 o   63.755   3.7329  495.079   55.954  501.100   79.267  489.100   78.994   63.130   5.3683   62.328   5.4212 0.8021622 7.629445 
1 1 1    6   36   18 o   20.509   1.9597   50.515   9.3751   48.600   13.933   52.100   12.673   19.871   3.0682   20.689   2.6553 -0.8178425 4.057636 
1 1 1    6   36   19 o   69.284   4.1427  590.695   67.466  544.600   95.668  636.300   95.158   64.803   6.3329   70.619   5.7565 -5.816101 8.558170 
1 1 1    6   36   20 f   23.695   1.9790   67.371   10.971   62.700   15.637   71.900   15.398   22.613   3.0025   24.314   2.7291 -1.700550 4.057450 
1 1 1    6   36   21 o   5.0891   1.7496   2.8041   2.5422   2.2000   4.4335   3.1000   3.1031   5.6892   2.2423   5.4614   1.9293 0.2278347 2.958107 
1 1 1    6   36   22 o   55.427   3.3541  374.932   43.693  331.100   61.813  418.700   61.768   50.920   5.2144   57.805   4.5623 -6.884987 6.928523 
1 1 1    6   36   23 o   13.256   1.9686   21.410   5.9749   15.700   9.1846   25.600   7.8670   11.243   3.2658   14.428   2.3929 -3.185043 4.048620 
1 1 1    6   36   24 o   35.355   2.3307  150.505   19.349  165.100   27.600  136.400   27.133   36.724   3.2151   33.240   3.5099 3.484085 4.759880 
1 1 1    6   36   25 o   54.358   3.2972  361.302   42.123  365.300   59.939  357.400   59.208   53.665   4.7800   53.082   4.7747 0.5831108 6.756138 
1 1 1    6   36   26 o   41.505   2.5724  208.325   25.087  227.700   35.884  189.800   35.088   42.940   3.5713   39.037   3.8569 3.903271 5.256460 
1 1 1    6   36   27 o   26.890   2.3059   87.483   14.500   67.200   21.049  105.800   20.003   22.960   4.0293   29.389   2.9211 -6.428213 4.976773 
1 1 1    6   36   28 o   45.944   3.0032  258.489   32.403  235.000   46.113  281.400   45.542   42.758   4.6417   47.215   4.1263 -4.456833 6.210599 
1 1 1    6   36   29 o   22.403   1.9397   60.578   10.160   62.500   14.654   58.800   14.098   22.493   2.8212   21.814   2.8017 0.6787834 3.975973 
1 1 1    6   36   30 o   13.304   1.8870   21.629   5.7620   20.200   8.5871   22.800   7.7712   12.601   2.9398   13.502   2.5303 -0.9016504 3.878787 
1 1 1    6   36   31 o   18.213   1.8386   40.185   7.7992   37.500   11.103   42.800   10.958   17.297   2.8153   18.589   2.5645 -1.292271 3.808217 
1 1 1    6   36   32 o   27.795   2.1710   94.061   14.136   89.800   20.264   98.100   19.729   26.644   3.2907   27.998   3.0326 -1.353754 4.474979 
1 1 1    6   36   33 o   41.546   2.8333  214.170   27.630  189.400   39.333  238.300   38.822   37.709   4.5065   42.961   3.8683 -5.251968 5.939063 
1 1 1    6   36   34 o   22.689   2.8422   64.600   14.894   0.0000   0.0000   64.600   14.894  ?   ?    22.689   2.8422 0.000000 2.842241 
1 1 1    6   36   35 o   11.710   2.5962   17.500   6.9905   0.0000   0.0000   17.500   6.9905  ?   ?    11.710   2.5962 0.000000 2.596227 
1 1 1    6   36   36 o   8.1269   2.3321   8.3000   4.7092   0.0000   0.0000   8.3000   4.7092  ?   ?    8.1269   2.3321 0.000000 2.332093 
1 1 1    6   36   37 o   33.192   2.3681  136.562   18.439  134.600   26.158  138.500   25.996   32.069   3.5117   32.607   3.4275 -0.5385475 4.907083 
1 1 1    6   36   38 o   6.5537   1.9737   5.3299   3.3056   12.300   5.1057   0.3000   4.3373   9.7858   2.2558   4.9586   2.1112 4.827174 3.089601 
1 1 1    6   36   39 o   12.798   1.7124   20.344   5.0451   32.500   7.5005   10.300   6.8181   16.087   2.0189   8.9021   2.8597 7.184993 3.500547 
1 1 1    6   36   40 o   13.195   2.7046   23.400   8.1444   0.0000   0.0000   23.400   8.1444  ?   ?    13.195   2.7046 0.000000 2.704645 
1 1 1    6   36   41 o   15.649   2.9897   33.900   10.645   0.0000   0.0000   33.900   10.645  ?   ?    15.649   2.9897 0.000000 2.989685 
1 1 1    6   36   42 o   11.490   3.0276   18.900   8.3299   0.0000   0.0000   18.900   8.3299  ?   ?    11.490   3.0276 0.000000 3.027612 
1 1 1    6   36   43 o   9.3664   2.6989   12.200   6.2953   0.0000   0.0000   12.200   6.2953  ?   ?    9.3664   2.6989 0.000000 2.698883 
1 1 1    6   36   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   37    0 o   29.830   3.2606  109.400   22.270  109.400   22.270  109.400   22.270   29.830   3.2606   29.830   3.2606 0.000000 0.000000 
1 1 1    6   37    1 o   98.213   5.5084  1183.22  127.234  1298.90  180.118  1068.00  179.754  101.251   7.5887   91.021   8.4600 10.22901 11.36487 
1 1 1    6   37    2 o   30.176   2.0854  108.581   14.769  124.700   21.354   93.800   20.449   32.223   2.8352   27.847   3.1661 4.376560 4.250006 
1 1 1    6   37    3 f   18.052   1.8029   39.008   7.5825   45.300   11.268   33.800   10.251   19.353   2.5259   16.638   2.7017 2.714523 3.698564 
1 1 1    6   37    4 o   51.278   3.1060  315.276   37.432  311.700   53.129  318.800   52.747   50.566   4.4964   51.174   4.4080 -0.6079025 6.296708 
1 1 1    6   37    5 o   54.982   3.2672  362.987   42.228  303.700   59.712  422.300   59.726   49.639   5.1701   58.963   4.3197 -9.323605 6.737161 
1 1 1    6   37    6 f   46.854   2.9256  263.098   32.207  233.400   45.623  292.600   45.472   43.676   4.4875   49.131   3.9530 -5.454922 5.980274 
1 1 1    6   37    7 o   21.538   1.8469   55.427   9.3023   73.300   13.442   39.000   12.886   24.718   2.3305   17.793   3.1839 6.924240 3.945680 
1 1 1    6   37    8 o   45.296   2.8101  245.855   29.908  255.400   42.396  236.400   42.197   45.846   3.9549   44.047   4.1042 1.798985 5.699621 
1 1 1    6   37    9 o   51.885   2.9966  323.088   36.558  398.200   51.932  249.300   51.472   57.327   3.8587   44.911   4.9349 12.41587 6.264422 
1 1 1    6   37   10 o   84.773   4.6413  879.074   92.556  964.800  131.496  794.900  130.300   87.470   6.4110   78.814   7.0768 8.656052 9.548913 
1 1 1    6   37   11 o   61.078   3.5160  450.762   50.496  484.200   71.726  417.900   71.104   62.659   4.8863   57.995   5.2489 4.663502 7.171246 
1 1 1    6   37   12 f   31.155   2.1888  116.099   16.001  131.700   22.702  100.700   22.555   33.029   2.9416   28.735   3.3893 4.293520 4.487826 
1 1 1    6   37   13 o   28.133   1.9891   94.586   13.129  114.100   19.069   77.000   18.103   30.780   2.6495   25.133   3.1173 5.646919 4.091109 
1 1 1    6   37   14 o   42.458   2.6751  216.656   26.682  224.400   37.970  209.100   37.504   42.839   3.7927   41.304   3.8911 1.534161 5.433712 
1 1 1    6   37   15 o   29.531   2.0022  104.285   13.880  128.200   19.962   81.900   19.313   32.622   2.6133   25.873   3.2316 6.749481 4.156008 
1 1 1    6   37   16 f   56.196   3.2915  382.793   43.487  413.700   61.709  352.300   61.295   57.753   4.5620   53.044   4.9508 4.709286 6.732162 
1 1 1    6   37   17 o   29.086   2.0928  101.389   14.278  114.500   20.319   88.600   20.067   30.739   2.8311   26.899   3.2236 3.839842 4.290298 
1 1 1    6   37   18 f   84.034   5.0296  887.608   99.345  847.000  141.125  927.500  139.874   79.031   7.6582   83.368   7.1751 -4.337166 10.49429 
1 1 1    6   37   19 o   38.544   2.1201  177.921   19.223  235.600   27.830  125.300   26.582   44.194   2.6795   31.878   3.5940 12.31559 4.482917 
1 1 1    6   37   20 o   48.460   2.8660  284.182   32.650  318.300   46.499  251.000   45.857   50.778   3.9079   44.802   4.3910 5.976311 5.878161 
1 1 1    6   37   21 o   33.414   2.1019  133.903   16.500  163.200   23.870  107.100   22.832   36.700   2.7749   29.507   3.3354 7.193331 4.338827 
1 1 1    6   37   22 o   46.631   2.9774  264.078   32.613  240.300   46.297  287.500   45.949   43.668   4.5569   48.087   4.0853 -4.418842 6.120021 
1 1 1    6   37   23 o   31.335   2.2284  118.154   16.381  112.800   23.175  123.500   23.158   30.278   3.2947   31.757   3.1289 -1.478958 4.543633 
1 1 1    6   37   24 o   60.971   3.5445  456.959   50.811  489.100   72.188  425.400   71.532   61.924   4.9788   57.416   5.3371 4.508747 7.298849 
1 1 1    6   37   25 o   43.389   2.9286  229.208   29.831  190.400   42.441  267.100   41.937   38.582   4.7592   46.350   3.8670 -7.767094 6.132207 
1 1 1    6   37   26 o   53.510   3.3146  352.061   41.675  307.700   59.011  396.200   58.864   48.612   5.2226   55.865   4.5004 -7.252277 6.894163 
1 1 1    6   37   27 o   32.970   2.3965  131.790   18.530   97.700   26.299  165.400   26.114   27.626   4.1606   36.675   3.0428 -9.049740 5.154551 
1 1 1    6   37   28 o   46.194   2.9817  262.212   32.352  232.200   45.877  291.900   45.628   42.283   4.6729   47.964   4.0669 -5.680840 6.194867 
1 1 1    6   37   29 o   35.383   2.5190  152.738   20.910  131.100   29.772  173.800   29.373   31.977   4.0325   37.296   3.3718 -5.318489 5.256419 
1 1 1    6   37   30 o   27.880   2.2769   94.724   14.859   72.000   21.266  116.400   20.770   23.536   3.9675   30.638   2.9055 -7.102219 4.917676 
1 1 1    6   37   31 o   38.487   2.5394  181.686   22.948  128.500   32.435  235.000   32.473   31.075   4.5554   43.333   3.1961 -12.25854 5.564790 
1 1 1    6   37   32 o   68.523   6.9822  712.600  111.398   0.0000   0.0000  712.600  111.398  ?   ?    68.523   6.9822 0.000000 6.982188 
1 1 1    6   37   33 o   19.844   2.7095   49.300   12.364   0.0000   0.0000   49.300   12.364  ?   ?    19.844   2.7095 0.000000 2.709516 
1 1 1    6   37   34 o   25.199   2.9891   80.200   17.439   0.0000   0.0000   80.200   17.439  ?   ?    25.199   2.9891 0.000000 2.989094 
1 1 1    6   37   35 o   27.453   3.1007   95.900   19.749   0.0000   0.0000   95.900   19.749  ?   ?    27.453   3.1007 0.000000 3.100737 
1 1 1    6   37   36 o   19.875   2.8068   50.400   12.807   0.0000   0.0000   50.400   12.807  ?   ?    19.875   2.8068 0.000000 2.806819 
1 1 1    6   37   37 o   12.951   2.6359   21.800   7.7870   0.0000   0.0000   21.800   7.7870  ?   ?    12.951   2.6359 0.000000 2.635881 
1 1 1    6   37   38 o   33.559   3.7286  156.500   29.047   0.0000   0.0000  156.500   29.047  ?   ?    33.559   3.7286 0.000000 3.728561 
1 1 1    6   37   39 o   7.5260   2.7213   6.7000   6.2105   0.0000   0.0000   6.7000   6.2105  ?   ?    7.5260   2.7213 0.000000 2.721319 
1 1 1    6   37   40 o   4.5217   2.0215  -1.3000   4.4203   0.0000   0.0000  -1.3000   4.4203  ?   ?    4.5217   2.0215 0.000000 2.021465 
1 1 1    6   37   41 o   5.3851   2.1034   2.6000   3.8707   0.0000   0.0000   2.6000   3.8707  ?   ?    5.3851   2.1034 0.000000 2.103360 
1 1 1    6   37   42 o   13.324   2.9237   25.000   8.9463   0.0000   0.0000   25.000   8.9463  ?   ?    13.324   2.9237 0.000000 2.923744 
1 1 1    6   37   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   38    0 o   5.9193   3.0191   6.1000   5.3143   6.1000   5.3143   6.1000   5.3143   5.9193   3.0191   5.9193   3.0191 0.000000 0.000000 
1 1 1    6   38    1 o   38.214   2.5183  174.762   22.597  181.900   32.043  167.700   31.871   38.742   3.5418   37.147   3.6818 1.594406 5.108839 
1 1 1    6   38    2 o  101.373   5.9480  1280.70  141.758  1164.20  200.910  1396.20  200.046   93.272   9.2437  103.398   8.2623 -10.12549 12.39801 
1 1 1    6   38    3 o   66.777   4.0644  541.390   63.785  459.900   90.507  621.800   89.906   60.272   6.4599   70.846   5.4151 -10.57465 8.429392 
1 1 1    6   38    4 o   29.809   2.1923  106.239   15.323   94.500   21.754  117.800   21.588   27.857   3.3760   31.244   2.9614 -3.386948 4.490863 
1 1 1    6   38    5 o   35.752   2.4487  153.031   20.549  139.400   29.202  166.400   28.921   33.805   3.7197   37.076   3.3392 -3.270607 4.998607 
1 1 1    6   38    6 o   10.132   1.8148   12.549   4.1823   18.500   6.1407   7.4000   5.7119   12.288   2.1968   8.0236   2.6207 4.264840 3.419681 
1 1 1    6   38    7 o   13.147   1.7327   20.857   5.2480   30.100   8.1104   14.200   6.8833   15.747   2.2447   10.697   2.7191 5.049479 3.525913 
1 1 1    6   38    8 o   20.132   1.7703   48.473   8.3300   65.100   12.101   33.500   11.484   23.279   2.2287   16.458   3.0677 6.820286 3.791826 
1 1 1    6   38    9 o   82.984   4.7869  848.968   93.405  844.500  132.367  853.400  131.823   80.864   7.0012   81.363   6.9272 -0.4994431 9.848970 
1 1 1    6   38   10 o   36.760   2.4969  162.138   21.546  144.200   30.589  179.800   30.352   34.276   3.8457   38.474   3.3750 -4.198223 5.116663 
1 1 1    6   38   11 o   25.229   2.0040   76.210   11.840   78.200   16.918   74.300   16.577   25.376   2.8740   24.723   2.8943 0.6533222 4.078863 
1 1 1    6   38   12 o   19.438   1.8838   45.344   8.5379   26.300   12.105   64.200   12.044   14.458   3.5674   23.096   2.2365 -8.637635 4.210434 
1 1 1    6   38   13 o   27.311   2.1667   89.485   13.859   77.800   19.848  100.600   19.359   25.144   3.4327   28.801   2.8854 -3.656981 4.484293 
1 1 1    6   38   14 o   6.9795   2.0502   5.9014   3.6016   4.3000   5.1799   7.4000   5.0110   6.7258   2.4771   7.8789   2.4413 -1.153075 3.477969 
1 1 1    6   38   15 o   10.840   2.0717   14.469   5.1096   12.000   8.1008   16.100   6.5847   9.9864   3.1056   11.377   2.5177 -1.390498 3.997959 
1 1 1    6   38   16 o   38.241   2.3460  175.588   21.082  218.000   30.017  134.300   29.616   42.404   3.0174   32.928   3.8836 9.476143 4.918091 
1 1 1    6   38   17 o   24.925   2.0366   74.596   11.882   74.700   17.108   74.500   16.515   24.707   2.9934   24.704   2.8854 0.3133774E-02 4.157605 
1 1 1    6   38   18 o   26.876   2.0852   86.749   13.130   83.900   18.734   89.500   18.408   26.166   3.0917   27.086   2.9244 -0.9200153 4.255654 
1 1 1    6   38   19 o   21.923   1.7814   57.591   9.1421   74.800   13.328   42.300   12.564   24.895   2.2930   18.494   2.9780 6.401026 3.758478 
1 1 1    6   38   20 o   18.371   1.7934   40.573   7.6809   46.200   11.214   35.600   10.542   19.464   2.4975   16.994   2.7187 2.470493 3.691715 
1 1 1    6   38   21 o   32.192   2.3133  124.815   17.468  120.500   25.050  128.900   24.371   31.255   3.4516   32.423   3.2259 -1.167683 4.724430 
1 1 1    6   38   22 o   27.486   1.9376   90.619   12.495  122.000   17.979   61.300   17.378   31.786   2.4134   22.172   3.4300 9.614080 4.193916 
1 1 1    6   38   23 o   43.353   2.5035  226.845   25.520  268.900   36.755  187.700   35.460   46.825   3.3461   38.804   3.9239 8.021366 5.156866 
1 1 1    6   38   24 o   28.653   2.1824   98.998   14.655   96.000   21.086  101.800   20.382   27.858   3.2674   28.781   3.0454 -0.9221611 4.466580 
1 1 1    6   38   25 o   43.187   2.7557  227.128   27.956  234.500   39.594  219.800   39.478   43.226   3.9217   41.755   4.0550 1.470718 5.641216 
1 1 1    6   38   26 o   26.337   2.1190   83.845   13.067   77.200   18.764   90.100   18.207   24.867   3.2752   27.045   2.8959 -2.177761 4.371926 
1 1 1    6   38   27 o   21.987   1.8788   58.343   9.6611   65.100   14.254   52.600   13.140   22.992   2.6754   20.606   2.7707 2.386013 3.851614 
1 1 1    6   38   28 f   42.167   2.7134  217.839   26.874  226.500   38.490  209.600   37.538   42.200   3.9069   40.535   3.9728 1.664375 5.571965 
1 1 1    6   38   29 o   34.346   2.5223  144.513   20.314  124.900   29.083  163.200   28.387   31.042   4.0653   36.010   3.3779 -4.968523 5.285511 
1 1 1    6   38   30 o   22.510   2.8312   63.300   14.716   0.0000   0.0000   63.300   14.716  ?   ?    22.510   2.8312 0.000000 2.831175 
1 1 1    6   38   31 o   55.766   5.3613  430.000   69.729   0.0000   0.0000  430.000   69.729  ?   ?    55.766   5.3613 0.000000 5.361261 
1 1 1    6   38   32 o   12.434   2.6827   19.700   7.6452   0.0000   0.0000   19.700   7.6452  ?   ?    12.434   2.6827 0.000000 2.682682 
1 1 1    6   38   33 f   11.555   2.5253   17.000   6.6980   0.0000   0.0000   17.000   6.6980  ?   ?    11.555   2.5253 0.000000 2.525288 
1 1 1    6   38   34 o   8.0120   2.4045   8.0000   4.9125   0.0000   0.0000   8.0000   4.9125  ?   ?    8.0120   2.4045 0.000000 2.404532 
1 1 1    6   38   35 o   19.871   2.7202   50.200   12.429   0.0000   0.0000   50.200   12.429  ?   ?    19.871   2.7202 0.000000 2.720231 
1 1 1    6   38   36 o   12.786   2.7207   21.400   7.9621   0.0000   0.0000   21.400   7.9621  ?   ?    12.786   2.7207 0.000000 2.720708 
1 1 1    6   38   37 o   23.495   3.0578   73.400   16.563   0.0000   0.0000   73.400   16.563  ?   ?    23.495   3.0578 0.000000 3.057813 
1 1 1    6   38   38 o   8.7420   2.8254   10.100   6.6481   0.0000   0.0000   10.100   6.6481  ?   ?    8.7420   2.8254 0.000000 2.825432 
1 1 1    6   38   39 o   8.5747   2.8023   9.8000   6.5305   0.0000   0.0000   9.8000   6.5305  ?   ?    8.5747   2.8023 0.000000 2.802303 
1 1 1    6   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   38   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   38   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   39    0 o   50.086   4.4984  308.500   52.217  308.500   52.217  308.500   52.217   50.086   4.4984   50.086   4.4984 0.000000 0.000000 
1 1 1    6   39    1 o   89.360   5.1334  990.410  107.865  995.400  153.160  985.500  151.936   87.261   7.5061   86.851   7.4814 0.4097824 10.59780 
1 1 1    6   39    2 o   27.528   2.1073   90.712   13.595   87.100   19.395   94.200   19.061   26.751   3.1294   27.881   2.9395 -1.129313 4.293460 
1 1 1    6   39    3 o   61.691   3.7100  462.281   53.794  427.900   76.335  496.200   75.820   58.308   5.6135   63.135   5.1301 -4.827080 7.604540 
1 1 1    6   39    4 o   44.337   2.7139  236.148   28.276  256.100   40.406  217.000   39.583   45.823   3.7676   42.056   4.0353 3.766895 5.520721 
1 1 1    6   39    5 o   9.0787   1.9302   10.170   4.0106   12.100   5.7992   8.4000   5.5524   9.8750   2.4881   8.3748   2.5657 1.500238 3.573963 
1 1 1    6   39    6 o   53.479   3.2923  345.996   41.373  317.800   58.717  373.800   58.307   50.463   4.9930   55.018   4.5282 -4.554447 6.740573 
1 1 1    6   39    7 o   35.771   2.4095  153.479   20.234  154.700   28.863  152.300   28.373   35.616   3.4763   35.346   3.4430 0.2691231 4.892737 
1 1 1    6   39    8 o   38.360   2.5142  176.673   22.648  181.700   32.280  171.800   31.785   38.580   3.5843   37.487   3.6364 1.092430 5.105920 
1 1 1    6   39    9 o   36.737   2.5370  162.213   21.873  117.700   31.026  206.200   30.842   30.685   4.4086   41.239   3.1920 -10.55460 5.442830 
1 1 1    6   39   10 o   23.790   1.9858   67.844   11.054   65.100   15.761   70.500   15.508   23.088   2.9589   24.086   2.7774 -0.9979095 4.058211 
1 1 1    6   39   11 o   29.012   2.1106  100.878   14.361  108.600   20.616   93.600   20.015   29.901   2.9586   27.696   3.1143 2.205166 4.295642 
1 1 1    6   39   12 f   28.912   2.1606  100.303   14.644   96.900   20.876  103.600   20.548   28.148   3.1976   29.167   3.0276 -1.018448 4.403477 
1 1 1    6   39   13 f   42.093   2.6618  213.526   26.321  222.900   37.581  204.500   36.877   42.583   3.7766   40.730   3.8812 1.853371 5.415365 
1 1 1    6   39   14 o   72.181   4.1727  643.346   70.819  668.600  100.362  618.300   99.946   71.990   5.9573   68.973   6.2029 3.017296 8.600331 
1 1 1    6   39   15 o   34.912   2.3937  146.639   19.615  147.300   27.984  146.000   27.500   34.643   3.4675   34.505   3.4202 0.1371803 4.870410 
1 1 1    6   39   16 o   32.883   2.3556  130.129   18.170  117.500   25.883  142.400   25.514   30.839   3.6232   34.142   3.2020 -3.302721 4.835351 
1 1 1    6   39   17 o   21.471   1.8423   55.310   9.2504   65.900   13.685   46.400   12.552   23.300   2.5278   19.433   2.8175 3.866873 3.785288 
1 1 1    6   39   18 o   10.033   2.1213   12.476   4.8687   9.4000   6.7079   15.900   7.0776   8.8987   2.8342   11.273   2.6953 -2.373947 3.911171 
1 1 1    6   39   19 o   69.547   4.1981  600.887   68.621  557.400   97.311  643.900   96.780   64.862   6.4385   70.369   5.8781 -5.506897 8.718149 
1 1 1    6   39   20 o   8.8102   2.0297   9.6392   4.1356   12.400   7.6521   8.5000   4.9153   10.047   2.9978   8.3167   2.3814 1.730521 3.828590 
1 1 1    6   39   21 o   44.428   2.9055  239.852   30.314  200.500   43.009  278.700   42.732   39.716   4.6756   47.412   3.8501 -7.696743 6.056743 
1 1 1    6   39   22 o   13.067   1.8469   20.771   5.5402   27.100   8.7281   16.500   7.1698   14.788   2.5941   11.466   2.6939 3.322034 3.739864 
1 1 1    6   39   23 o   21.300   2.0535   54.841   10.201   41.400   14.770   67.100   14.105   18.035   3.5942   23.431   2.5927 -5.395651 4.431803 
1 1 1    6   39   24 o   30.948   2.3178  115.969   16.815   93.100   23.923  138.300   23.640   27.115   3.8439   33.534   3.0177 -6.418875 4.886935 
1 1 1    6   39   25 o   20.729   2.0920   52.141   10.100   39.600   14.863   62.900   13.767   17.530   3.7065   22.623   2.6259 -5.092508 4.542380 
1 1 1    6   39   26 o   23.665   2.1337   67.947   11.795   57.600   17.267   77.000   16.150   21.263   3.5651   24.979   2.7856 -3.715670 4.524270 
1 1 1    6   39   27 o   16.524   2.5905   34.000   9.7753   0.0000   0.0000   34.000   9.7753  ?   ?    16.524   2.5905 0.000000 2.590474 
1 1 1    6   39   28 f   28.021   3.0969   98.300   20.149   0.0000   0.0000   98.300   20.149  ?   ?    28.021   3.0969 0.000000 3.096865 
1 1 1    6   39   29 o   24.523   2.9444   75.300   16.709   0.0000   0.0000   75.300   16.709  ?   ?    24.523   2.9444 0.000000 2.944351 
1 1 1    6   39   30 o   19.658   2.7578   48.400   12.449   0.0000   0.0000   48.400   12.449  ?   ?    19.658   2.7578 0.000000 2.757837 
1 1 1    6   39   31 o   31.958   3.3545  129.900   24.936   0.0000   0.0000  129.900   24.936  ?   ?    31.958   3.3545 0.000000 3.354471 
1 1 1    6   39   32 o   19.717   2.7315   48.900   12.376   0.0000   0.0000   48.900   12.376  ?   ?    19.717   2.7315 0.000000 2.731450 
1 1 1    6   39   33 o   19.599   2.7849   48.700   12.526   0.0000   0.0000   48.700   12.526  ?   ?    19.599   2.7849 0.000000 2.784856 
1 1 1    6   39   34 o   18.332   2.7130   42.900   11.389   0.0000   0.0000   42.900   11.389  ?   ?    18.332   2.7130 0.000000 2.712996 
1 1 1    6   39   35 o   22.007   2.9058   63.000   14.731   0.0000   0.0000   63.000   14.731  ?   ?    22.007   2.9058 0.000000 2.905781 
1 1 1    6   39   36 o   13.351   2.7056   23.600   8.2375   0.0000   0.0000   23.600   8.2375  ?   ?    13.351   2.7056 0.000000 2.705615 
1 1 1    6   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   40    0 o   32.718   3.3434  131.700   25.213  131.700   25.213  131.700   25.213   32.718   3.3434   32.718   3.3434 0.000000 0.000000 
1 1 1    6   40    1 o   34.591   2.3914  143.600   19.414  140.700   27.698  146.400   27.218   33.924   3.5084   34.656   3.3685 -0.7323570 4.863717 
1 1 1    6   40    2 f   28.085   2.1986   94.625   14.465   81.400   20.676  107.300   20.242   25.715   3.4957   29.748   2.9192 -4.033382 4.554316 
1 1 1    6   40    3 o   63.451   3.6698  490.271   54.749  515.900   77.858  465.200   77.004   64.141   5.1848   60.722   5.4276 3.419422 7.506048 
1 1 1    6   40    4 o   37.918   2.3759  172.438   21.165  206.600   30.140  139.200   29.729   41.297   3.1136   33.626   3.8114 7.671516 4.921536 
1 1 1    6   40    5 o   2.8037   1.2750  -1.1582   1.8473  -0.4000   3.0445  -1.6000   2.3241   4.0295   1.7429   3.1012   1.4180 0.9282894 2.246820 
1 1 1    6   40    6 o   30.799   2.3869  114.049   17.224   84.000   24.609  142.900   24.114   25.895   4.1658   34.327   3.0052 -8.431576 5.136613 
1 1 1    6   40    7 o   34.063   2.4123  139.457   19.278  118.400   27.399  160.100   27.128   30.947   3.8312   36.276   3.1998 -5.328522 4.991650 
1 1 1    6   40    8 o   17.711   1.8531   37.726   7.6352   40.700   11.150   35.100   10.477   18.235   2.6683   16.897   2.7179 1.337774 3.808822 
1 1 1    6   40    9 o   38.967   2.7105  183.194   24.785  137.100   35.224  228.400   34.883   32.977   4.6526   43.261   3.4432 -10.28315 5.788104 
1 1 1    6   40   10 o   9.3997   2.0089   10.928   4.3237  -6.4000   6.2431   26.900   5.9938   4.7203   2.2144   14.943   1.7307 -10.22261 2.810497 
1 1 1    6   40   11 o   49.559   3.1450  298.149   36.614  271.600   52.077  324.100   51.487   46.447   4.8183   51.082   4.3087 -4.634743 6.463822 
1 1 1    6   40   12 o   37.213   2.5150  166.798   21.970  157.800   31.243  175.600   30.902   35.760   3.7561   37.846   3.4973 -2.086597 5.132185 
1 1 1    6   40   13 o   45.437   2.5295  248.435   27.033  309.800   38.931  191.300   37.565   50.441   3.2865   39.233   4.1162 11.20780 5.267265 
1 1 1    6   40   14 o   13.968   1.8905   23.657   6.0753   19.800   9.0673   26.800   8.1840   12.554   3.0816   14.769   2.4313 -2.215296 3.925210 
1 1 1    6   40   15 o   37.280   2.5663  167.705   22.453  114.900   31.831  220.000   31.677   30.061   4.6331   42.489   3.1803 -12.42872 5.619598 
1 1 1    6   40   16 o   15.434   1.7468   28.710   6.2542   34.100   9.2114   24.100   8.5188   16.702   2.4049   13.928   2.6876 2.774119 3.606478 
1 1 1    6   40   17 o   16.415   1.6758   32.389   6.4047   49.000   10.069   21.100   8.3004   20.133   2.1512   12.991   2.7892 7.142275 3.522429 
1 1 1    6   40   18 o   21.818   1.9602   57.266   9.9914   54.000   14.057   60.600   14.204   20.945   2.9218   22.255   2.7622 -1.309523 4.020780 
1 1 1    6   40   19 o   20.356   1.8275   49.794   8.6906   57.900   12.975   43.200   11.704   21.790   2.5713   18.740   2.7245 3.049301 3.746300 
1 1 1    6   40   20 o   32.901   2.2734  130.503   17.554  142.600   24.980  118.700   24.673   34.089   3.1384   30.961   3.4326 3.128239 4.651064 
1 1 1    6   40   21 o   10.261   2.0065   13.026   4.6876   10.600   7.1009   14.900   6.2406   9.3475   2.9078   10.908   2.4790 -1.560893 3.821077 
1 1 1    6   40   22 o   9.7901   2.1649   11.949   4.8720   6.7000   7.8777   15.200   6.1999   8.2569   3.0523   11.018   2.4467 -2.760871 3.911908 
1 1 1    6   40   23 o   5.1249   1.8203   2.7193   2.7659   4.7000   4.9125   1.8000   3.3468   6.7471   2.4228   4.9918   1.9541 1.755304 3.112649 
1 1 1    6   40   24 o   24.237   1.9517   70.910   11.075   81.900   15.802   60.300   15.527   25.841   2.6262   21.976   3.0765 3.865042 4.044918 
1 1 1    6   40   25 o   37.629   3.6916  179.100   32.380   0.0000   0.0000  179.100   32.380  ?   ?    37.629   3.6916 0.000000 3.691589 
1 1 1    6   40   26 o   43.979   4.1973  250.100   43.061   0.0000   0.0000  250.100   43.061  ?   ?    43.979   4.1973 0.000000 4.197349 
1 1 1    6   40   27 f   11.415   2.5435   16.500   6.6806   0.0000   0.0000   16.500   6.6806  ?   ?    11.415   2.5435 0.000000 2.543497 
1 1 1    6   40   28 o   15.580   2.5733   30.400   9.1364   0.0000   0.0000   30.400   9.1364  ?   ?    15.580   2.5733 0.000000 2.573319 
1 1 1    6   40   29 o   11.034   2.6148   15.500   6.7086   0.0000   0.0000   15.500   6.7086  ?   ?    11.034   2.6148 0.000000 2.614828 
1 1 1    6   40   30 o   21.397   2.8130   57.500   13.868   0.0000   0.0000   57.500   13.868  ?   ?    21.397   2.8130 0.000000 2.813018 
1 1 1    6   40   31 o   25.157   2.9830   80.000   17.375   0.0000   0.0000   80.000   17.375  ?   ?    25.157   2.9830 0.000000 2.982972 
1 1 1    6   40   32 o   11.213   2.6284   16.200   6.8381   0.0000   0.0000   16.200   6.8381  ?   ?    11.213   2.6284 0.000000 2.628360 
1 1 1    6   40   33 o   4.9711   1.9099   2.1000   3.1514   0.0000   0.0000   2.1000   3.1514  ?   ?    4.9711   1.9099 0.000000 1.909864 
1 1 1    6   40   34 o   3.9864   1.7697  -1.0000   3.3266   0.0000   0.0000  -1.0000   3.3266  ?   ?    3.9864   1.7697 0.000000 1.769685 
1 1 1    6   40   35 o  ?   ?  -15.7000   1.5794   0.0000   0.0000 -15.7000   1.5794  ?   ?   ?   ?  0.000000      ? 
1 1 1    6   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   41    0 o   26.661   3.0436   88.000   18.516   88.000   18.516   88.000   18.516   26.661   3.0436   26.661   3.0436 0.000000 0.000000 
1 1 1    6   41    1 f   42.044   2.6630  212.965   26.302  194.700   37.161  231.300   37.232   39.688   4.0207   43.447   3.6632 -3.759235 5.439237 
1 1 1    6   41    2 o   20.426   1.9163   50.107   9.1348   51.500   13.405   48.900   12.481   20.508   2.8448   20.007   2.7117 0.5009022 3.930179 
1 1 1    6   41    3 o   26.231   2.1037   82.592   12.921   71.500   18.436   93.300   18.113   24.087   3.3304   27.721   2.8057 -3.634575 4.354718 
1 1 1    6   41    4 o   19.642   1.8190   46.293   8.3410   52.100   12.079   41.000   11.532   20.704   2.5228   18.277   2.7577 2.426983 3.737577 
1 1 1    6   41    5 o   68.320   4.1310  575.527   66.331  510.700   94.046  639.700   93.570   62.465   6.4696   70.770   5.6462 -8.304394 8.586961 
1 1 1    6   41    6 o   39.130   2.4536  184.092   22.556  147.600   31.767  221.200   32.034   34.507   3.9710   42.648   3.2043 -8.141148 5.102618 
1 1 1    6   41    7 o   45.082   2.6810  244.969   28.412  277.000   40.490  213.900   39.878   47.553   3.6334   41.535   4.1202 6.017273 5.493430 
1 1 1    6   41    8 o   23.528   1.9496   66.410   10.734   73.100   15.744   60.600   14.673   24.506   2.7694   22.262   2.8572 2.243399 3.979107 
1 1 1    6   41    9 o   11.751   1.8751   16.844   5.0281   16.900   7.5744   16.800   6.7232   11.624   2.7940   11.619   2.5227 0.5146980E-02 3.764425 
1 1 1    6   41   10 o   9.3849   1.8952   10.864   4.0553   11.200   6.1167   10.600   5.4169   9.5128   2.6333   9.2417   2.4445 0.2710238 3.593074 
1 1 1    6   41   11 o   8.0496   2.1655   8.0050   4.2064   18.200   7.0223   2.3000   5.2530   12.097   2.5392   6.0904   2.4280 6.006449 3.513241 
1 1 1    6   41   12 o   32.167   2.2763  124.420   17.178  111.800   24.313  137.000   24.274   30.115   3.4832   33.511   3.1028 -3.395632 4.664826 
1 1 1    6   41   13 o   22.441   2.0347   60.585   10.665   52.300   15.410   68.200   14.774   20.520   3.2915   23.665   2.6918 -3.144495 4.252045 
1 1 1    6   41   14 o   23.340   1.8832   65.350   10.291   73.600   15.047   58.100   14.105   24.605   2.6306   21.783   2.8077 2.821978 3.847487 
1 1 1    6   41   15 o   8.7584   2.1482   9.5345   4.4091   9.6000   7.5042   9.5000   5.4488   9.0957   3.0055   8.7838   2.5047 0.3119040 3.912322 
1 1 1    6   41   16 o   30.837   2.1846  114.351   15.805  122.900   22.695  106.300   22.023   31.703   3.0700   29.412   3.2238 2.291035 4.451730 
1 1 1    6   41   17 o   7.2118   2.0086   6.3965   3.5474   15.600   6.4470   2.4000   4.2483   11.175   2.5051   5.6670   2.2063 5.508119 3.338131 
1 1 1    6   41   18 o   14.660   1.8148   26.023   6.1480   29.500   9.0980   23.100   8.3405   15.445   2.5860   13.604   2.6917 1.840788 3.732643 
1 1 1    6   41   19 o   32.853   2.3693  130.546   18.257  124.000   26.227  136.700   25.430   31.536   3.5856   33.268   3.2797 -1.732052 4.859349 
1 1 1    6   41   20 o   20.009   1.7308   48.134   8.0973   69.200   11.870   29.800   11.074   23.922   2.1234   15.348   3.1607 8.574016 3.807746 
1 1 1    6   41   21 o   32.118   2.3557  125.087   17.741  109.100   25.281  140.600   24.903   29.408   3.7241   33.716   3.1650 -4.308247 4.887333 
1 1 1    6   41   22 o   48.260   4.4664  299.600   50.322   0.0000   0.0000  299.600   50.322  ?   ?    48.260   4.4664 0.000000 4.466448 
1 1 1    6   41   23 o   5.0823   1.9702   2.0000   3.3763   0.0000   0.0000   2.0000   3.3763  ?   ?    5.0823   1.9702 0.000000 1.970175 
1 1 1    6   41   24 o   46.219   4.3380  277.000   46.791   0.0000   0.0000  277.000   46.791  ?   ?    46.219   4.3380 0.000000 4.337989 
1 1 1    6   41   25 o   62.516   5.9943  549.300   87.405   0.0000   0.0000  549.300   87.405  ?   ?    62.516   5.9943 0.000000 5.994318 
1 1 1    6   41   26 o   5.2631   1.9790   2.5000   3.3396   0.0000   0.0000   2.5000   3.3396  ?   ?    5.2631   1.9790 0.000000 1.979039 
1 1 1    6   41   27 o   35.561   3.5829  161.100   29.676   0.0000   0.0000  161.100   29.676  ?   ?    35.561   3.5829 0.000000 3.582920 
1 1 1    6   41   28 o   14.163   2.5917   25.300   8.3483   0.0000   0.0000   25.300   8.3483  ?   ?    14.163   2.5917 0.000000 2.591702 
1 1 1    6   41   29 o   14.138   2.6179   25.300   8.4181   0.0000   0.0000   25.300   8.4181  ?   ?    14.138   2.6179 0.000000 2.617944 
1 1 1    6   41   30 f   16.970   2.6027   36.300   10.097   0.0000   0.0000   36.300   10.097  ?   ?    16.970   2.6027 0.000000 2.602669 
1 1 1    6   41   31 o   24.805   2.9891   78.700   17.156   0.0000   0.0000   78.700   17.156  ?   ?    24.805   2.9891 0.000000 2.989111 
1 1 1    6   41   32 o   23.978   3.0998   75.000   17.140   0.0000   0.0000   75.000   17.140  ?   ?    23.978   3.0998 0.000000 3.099833 
1 1 1    6   41   33 o   20.549   2.9075   55.400   13.715   0.0000   0.0000   55.400   13.715  ?   ?    20.549   2.9075 0.000000 2.907537 
1 1 1    6   41   34 o   18.814   2.9806   47.500   12.801   0.0000   0.0000   47.500   12.801  ?   ?    18.814   2.9806 0.000000 2.980601 
1 1 1    6   41   35 o   5.6329   2.4096   0.7000   5.6986   0.0000   0.0000   0.7000   5.6986  ?   ?    5.6329   2.4096 0.000000 2.409635 
1 1 1    6   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   42    0 o   40.247   3.8069  199.600   35.436  199.600   35.436  199.600   35.436   40.247   3.8069   40.247   3.8069 0.000000 0.000000 
1 1 1    6   42    1 o   32.483   2.2527  126.714   17.173  121.300   24.207  132.200   24.366   31.474   3.3065   32.916   3.1741 -1.442003 4.583441 
1 1 1    6   42    2 o   18.675   1.8299   41.905   7.9662   38.200   11.199   45.700   11.334   17.618   2.7844   19.364   2.5402 -1.745985 3.768997 
1 1 1    6   42    3 o   20.887   1.9642   52.447   9.5743   43.800   13.618   60.900   13.464   18.786   3.1834   22.384   2.5954 -3.597149 4.107351 
1 1 1    6   42    4 o   22.717   2.0109   62.011   10.676   62.700   15.571   61.400   14.664   22.612   2.9896   22.415   2.8339 0.1970444 4.119298 
1 1 1    6   42    5 o   53.006   3.2762  341.859   40.806  328.800   58.066  354.600   57.356   51.079   4.8733   53.233   4.6083 -2.154518 6.707113 
1 1 1    6   42    6 o   14.465   1.8171   25.293   6.0696   18.500   8.4598   32.500   8.7133   12.145   2.9737   16.322   2.3266 -4.176798 3.775663 
1 1 1    6   42    7 o   41.672   2.4537  208.882   24.038  289.900   34.415  131.700   33.590   48.907   2.9944   32.297   4.5290 16.61007 5.429403 
1 1 1    6   42    8 o   16.579   1.9496   33.205   7.4864   32.600   11.163   33.700   10.092   16.179   3.0333   16.544   2.6746 -0.3650322 4.044036 
1 1 1    6   42    9 o   10.641   2.0210   13.947   4.8923   11.900   7.3188   15.600   6.5778   9.8570   2.9297   11.184   2.5476 -1.326783 3.882463 
1 1 1    6   42   10 o   23.650   1.6926   66.874   9.3902   95.400   13.803   42.300   12.812   28.187   2.0887   18.477   3.0423 9.710760 3.690281 
1 1 1    6   42   11 o   17.331   1.9345   36.253   7.7815   31.400   11.539   40.300   10.538   15.823   3.1984   18.153   2.5269 -2.330478 4.076150 
1 1 1    6   42   12 o   55.498   3.2084  375.078   41.867  433.200   59.375  317.600   59.045   58.964   4.2938   49.922   5.0795 9.042042 6.651209 
1 1 1    6   42   13 f   56.414   3.4528  389.787   45.775  364.700   64.913  414.600   64.559   53.354   5.2191   57.233   4.8218 -3.878902 7.105567 
1 1 1    6   42   14 o   29.540   2.1237  104.932   14.715  115.800   21.131   94.700   20.504   30.792   2.9420   27.737   3.1885 3.054972 4.338382 
1 1 1    6   42   15 o   5.9671   2.0393   3.9180   3.4527  -5.0000   5.9701   8.4000   4.2323   4.7869   2.2187   8.2253   2.1537 -3.438433 3.092068 
1 1 1    6   42   16 o   44.732   2.8553  243.598   30.003  193.900   42.451  293.200   42.410   38.879   4.7208   48.593   3.7243 -9.713753 6.013028 
1 1 1    6   42   17 f   23.104   1.9072   64.241   10.312   72.800   15.290   57.100   13.966   24.385   2.7007   21.528   2.8147 2.856499 3.900861 
1 1 1    6   42   18 o   42.169   2.7167  216.560   26.909  208.300   38.077  224.800   38.032   40.631   4.0215   42.335   3.8465 -1.704021 5.564848 
1 1 1    6   42   19 o   37.651   3.6634  177.600   32.158   0.0000   0.0000  177.600   32.158  ?   ?    37.651   3.6634 0.000000 3.663420 
1 1 1    6   42   20 o   36.516   3.5994  167.200   30.634   0.0000   0.0000  167.200   30.634  ?   ?    36.516   3.5994 0.000000 3.599430 
1 1 1    6   42   21 o   47.455   4.4215  291.100   48.976   0.0000   0.0000  291.100   48.976  ?   ?    47.455   4.4215 0.000000 4.421491 
1 1 1    6   42   22 o   19.033   2.6774   45.000   11.701   0.0000   0.0000   45.000   11.701  ?   ?    19.033   2.6774 0.000000 2.677403 
1 1 1    6   42   23 o   28.383   3.0928  100.700   20.393   0.0000   0.0000  100.700   20.393  ?   ?    28.383   3.0928 0.000000 3.092798 
1 1 1    6   42   24 o   51.136   4.8185  348.100   57.498   0.0000   0.0000  348.100   57.498  ?   ?    51.136   4.8185 0.000000 4.818501 
1 1 1    6   42   25 o   19.486   2.6725   47.300   11.973   0.0000   0.0000   47.300   11.973  ?   ?    19.486   2.6725 0.000000 2.672531 
1 1 1    6   42   26 o   10.379   2.5888   13.700   6.3233   0.0000   0.0000   13.700   6.3233  ?   ?    10.379   2.5888 0.000000 2.588753 
1 1 1    6   42   27 o   35.158   3.6192  158.700   29.617   0.0000   0.0000  158.700   29.617  ?   ?    35.158   3.6192 0.000000 3.619154 
1 1 1    6   42   28 o   12.151   2.6944   18.900   7.5279   0.0000   0.0000   18.900   7.5279  ?   ?    12.151   2.6944 0.000000 2.694360 
1 1 1    6   42   29 o   27.130   3.1413   94.200   19.752   0.0000   0.0000   94.200   19.752  ?   ?    27.130   3.1413 0.000000 3.141317 
1 1 1    6   42   30 o   12.328   2.7713   19.800   7.8716   0.0000   0.0000   19.800   7.8716  ?   ?    12.328   2.7713 0.000000 2.771323 
1 1 1    6   42   31 o   9.0796   2.6847   10.700   6.1580   0.0000   0.0000   10.700   6.1580  ?   ?    9.0796   2.6847 0.000000 2.684675 
1 1 1    6   42   32 f   22.013   2.9942   64.200   15.160   0.0000   0.0000   64.200   15.160  ?   ?    22.013   2.9942 0.000000 2.994192 
1 1 1    6   42   33 o   11.114   2.8501   16.800   7.5154   0.0000   0.0000   16.800   7.5154  ?   ?    11.114   2.8501 0.000000 2.850077 
1 1 1    6   42   34 o   16.203   3.1401   36.400   11.581   0.0000   0.0000   36.400   11.581  ?   ?    16.203   3.1401 0.000000 3.140142 
1 1 1    6   42   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   42   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   42   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   43    0 o   51.978   4.6181  335.000   55.652  335.000   55.652  335.000   55.652   51.978   4.6181   51.978   4.6181 0.000000 0.000000 
1 1 1    6   43    1 o   33.308   2.2320  133.257   17.454  159.200   24.826  107.900   24.544   36.208   2.9287   29.544   3.5921 6.664043 4.634686 
1 1 1    6   43    2 o   38.946   2.5434  182.842   23.262  172.200   32.886  193.500   32.909   37.329   3.7831   39.693   3.5485 -2.364048 5.186852 
1 1 1    6   43    3 o   26.642   2.0514   85.214   12.806   98.800   18.101   71.600   18.120   28.530   2.7198   24.089   3.2701 4.440933 4.253385 
1 1 1    6   43    4 o   41.000   2.6485  202.950   25.505  170.700   36.069  235.200   36.069   36.962   4.2075   43.793   3.5176 -6.830944 5.484222 
1 1 1    6   43    5 o   24.493   1.9603   71.998   11.243   82.500   16.058   61.900   15.746   26.066   2.6455   22.431   3.0521 3.635105 4.039012 
1 1 1    6   43    6 o   14.394   1.9008   25.113   6.3027   25.400   9.6619   24.900   8.3156   14.249   2.9679   14.188   2.5770 0.6118202E-01 3.930570 
1 1 1    6   43    7 o   33.228   2.3423  132.905   18.261  126.500   25.937  139.200   25.713   32.043   3.4840   33.710   3.2715 -1.666264 4.779184 
1 1 1    6   43    8 o   18.046   1.8453   39.202   7.7528   39.100   11.064   39.300   10.867   17.828   2.7136   17.890   2.6528 -0.6172180E-01 3.794847 
1 1 1    6   43    9 o   48.017   3.0243  280.309   34.116  272.000   48.573  288.400   47.930   46.513   4.4777   48.034   4.2701 -1.521515 6.187421 
1 1 1    6   43   10 o   27.178   2.1464   88.914   13.663   84.100   19.560   93.500   19.092   26.108   3.2425   27.638   2.9721 -1.530113 4.398556 
1 1 1    6   43   11 o   15.745   1.8982   30.006   6.9153   21.800   10.045   37.400   9.5347   13.125   3.2565   17.498   2.3684 -4.372808 4.026670 
1 1 1    6   43   12 o   26.760   2.1761   86.370   13.632   71.400   19.527  100.600   19.038   23.878   3.5731   28.689   2.8479 -4.811514 4.569158 
1 1 1    6   43   13 o   34.794   2.4252  146.395   19.801  133.600   28.108  159.000   27.899   32.720   3.7031   35.904   3.3285 -3.183933 4.979143 
1 1 1    6   43   14 o   22.746   1.8927   62.255   10.074   75.300   14.414   49.800   14.084   24.873   2.4875   20.003   3.0807 4.870701 3.959593 
1 1 1    6   43   15 o   9.2966   2.0947   10.768   4.4882   12.600   8.2568  10.0000   5.3471   10.137   3.1326   8.9616   2.4545 1.175711 3.979681 
1 1 1    6   43   16 o   34.726   3.4745  150.200   28.109   0.0000   0.0000  150.200   28.109  ?   ?    34.726   3.4745 0.000000 3.474539 
1 1 1    6   43   17 o   37.615   3.6611  177.300   32.106   0.0000   0.0000  177.300   32.106  ?   ?    37.615   3.6611 0.000000 3.661094 
1 1 1    6   43   18 o   14.497   2.6736   26.300   8.8152   0.0000   0.0000   26.300   8.8152  ?   ?    14.497   2.6736 0.000000 2.673608 
1 1 1    6   43   19 o   23.674   2.8615   69.500   15.672   0.0000   0.0000   69.500   15.672  ?   ?    23.674   2.8615 0.000000 2.861459 
1 1 1    6   43   20 o   39.392   3.8229  197.300   35.113   0.0000   0.0000  197.300   35.113  ?   ?    39.392   3.8229 0.000000 3.822876 
1 1 1    6   43   21 o   10.842   2.6161   14.900   6.6205   0.0000   0.0000   14.900   6.6205  ?   ?    10.842   2.6161 0.000000 2.616062 
1 1 1    6   43   22 o   23.110   3.0408   67.000   16.191   0.0000   0.0000   67.000   16.191  ?   ?    23.110   3.0408 0.000000 3.040770 
1 1 1    6   43   23 f   31.452   3.3094  124.600   24.210   0.0000   0.0000  124.600   24.210  ?   ?    31.452   3.3094 0.000000 3.309433 
1 1 1    6   43   24 o   32.368   3.4132  132.800   25.695   0.0000   0.0000  132.800   25.695  ?   ?    32.368   3.4132 0.000000 3.413173 
1 1 1    6   43   25 o   27.726   3.1682   97.100   20.371   0.0000   0.0000   97.100   20.371  ?   ?    27.726   3.1682 0.000000 3.168208 
1 1 1    6   43   26 o   7.8473   2.7204   7.0000   6.1523   0.0000   0.0000   7.0000   6.1523  ?   ?    7.8473   2.7204 0.000000 2.720387 
1 1 1    6   43   27 o   15.943   2.7763   32.400   10.072   0.0000   0.0000   32.400   10.072  ?   ?    15.943   2.7763 0.000000 2.776258 
1 1 1    6   43   28 o   5.6317   2.1102   3.0000   3.7905   0.0000   0.0000   3.0000   3.7905  ?   ?    5.6317   2.1102 0.000000 2.110211 
1 1 1    6   43   29 o   13.423   2.7514   23.500   8.4283   0.0000   0.0000   23.500   8.4283  ?   ?    13.423   2.7514 0.000000 2.751393 
1 1 1    6   43   30 o   10.621   2.6862   14.900   6.7416   0.0000   0.0000   14.900   6.7416  ?   ?    10.621   2.6862 0.000000 2.686247 
1 1 1    6   43   31 o   13.189   2.8170   23.300   8.5062   0.0000   0.0000   23.300   8.5062  ?   ?    13.189   2.8170 0.000000 2.816954 
1 1 1    6   43   32 o   14.249   3.0676   27.900   10.016   0.0000   0.0000   27.900   10.016  ?   ?    14.249   3.0676 0.000000 3.067621 
1 1 1    6   43   33 f   15.851   3.0022   34.500   10.826   0.0000   0.0000   34.500   10.826  ?   ?    15.851   3.0022 0.000000 3.002210 
1 1 1    6   43   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   43   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   44    0 o  ?   ?  -10.0000   1.0194 -10.0000   1.0194 -10.0000   1.0194  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    6   44    1 o   34.830   2.3821  146.215   19.474  155.900   27.519  136.500   27.562   35.642   3.3073   33.228   3.5686 2.413967 4.865507 
1 1 1    6   44    2 o   34.711   2.3729  145.217   19.333  140.000   27.387  150.400   27.297   33.683   3.4941   34.984   3.3451 -1.301388 4.837154 
1 1 1    6   44    3 o   38.561   2.5429  179.610   23.025  186.200   32.538  173.000   32.587   38.840   3.5882   37.356   3.7446 1.484352 5.186257 
1 1 1    6   44    4 o   31.701   2.2297  120.966   16.585  127.500   23.607  114.600   23.304   32.255   3.1393   30.511   3.2863 1.743702 4.544773 
1 1 1    6   44    5 o   21.440   1.9193   55.300   9.6142   46.100   13.596   64.500   13.596   19.263   3.0938   23.017   2.5441 -3.754259 4.005473 
1 1 1    6   44    6 o   17.516   1.9397   37.076   7.8881   36.700   10.840   37.500   11.501   17.230   2.7572   17.380   2.9047 -0.1506653 4.004921 
1 1 1    6   44    7 o   25.059   1.9426   75.460   11.405   87.600   16.558   64.500   15.733   26.821   2.6490   22.877   2.9834 3.943829 3.989770 
1 1 1    6   44    8 o   14.028   2.1801   24.120   6.9868   6.7000   10.578   37.600   9.3054   8.9980   3.4875   17.554   2.3003 -8.556004 4.177785 
1 1 1    6   44    9 o   17.823   1.9237   38.385   7.9676   43.100   11.855   34.500   10.761   18.684   2.7708   16.660   2.8369 2.024185 3.965552 
1 1 1    6   44   10 o   16.071   1.7299   31.149   6.4614   50.000   9.7157   16.200   8.6522   20.334   2.0514   11.346   3.1284 8.988562 3.741004 
1 1 1    6   44   11 o   18.175   1.8651   39.882   7.8912   46.300   11.362   33.900   10.968   19.429   2.5370   16.471   2.9273 2.958359 3.873705 
1 1 1    6   44   12 o   34.583   3.4615  148.700   27.888   0.0000   0.0000  148.700   27.888  ?   ?    34.583   3.4615 0.000000 3.461461 
1 1 1    6   44   13 o   20.466   2.7528   51.700   12.966   0.0000   0.0000   51.700   12.966  ?   ?    20.466   2.7528 0.000000 2.752797 
1 1 1    6   44   14 o   38.525   3.7268  186.200   33.480   0.0000   0.0000  186.200   33.480  ?   ?    38.525   3.7268 0.000000 3.726837 
1 1 1    6   44   15 o   21.420   2.7563   56.700   13.618   0.0000   0.0000   56.700   13.618  ?   ?    21.420   2.7563 0.000000 2.756276 
1 1 1    6   44   16 f   11.833   2.6882   17.700   7.3407   0.0000   0.0000   17.700   7.3407  ?   ?    11.833   2.6882 0.000000 2.688194 
1 1 1    6   44   17 o   30.983   3.3243  120.200   23.941   0.0000   0.0000  120.200   23.941  ?   ?    30.983   3.3243 0.000000 3.324275 
1 1 1    6   44   18 o   17.216   2.9870   37.400   11.703   0.0000   0.0000   37.400   11.703  ?   ?    17.216   2.9870 0.000000 2.987037 
1 1 1    6   44   19 o   9.9816   2.6642   12.600   6.3967   0.0000   0.0000   12.600   6.3967  ?   ?    9.9816   2.6642 0.000000 2.664162 
1 1 1    6   44   20 o   19.891   2.9667   49.700   13.508   0.0000   0.0000   49.700   13.508  ?   ?    19.891   2.9667 0.000000 2.966663 
1 1 1    6   44   21 o   31.656   3.3517  126.300   24.673   0.0000   0.0000  126.300   24.673  ?   ?    31.656   3.3517 0.000000 3.351700 
1 1 1    6   44   22 o   12.484   3.1183   20.100   9.1657   0.0000   0.0000   20.100   9.1657  ?   ?    12.484   3.1183 0.000000 3.118323 
1 1 1    6   44   23 f   33.155   3.5328  140.300   27.232   0.0000   0.0000  140.300   27.232  ?   ?    33.155   3.5328 0.000000 3.532804 
1 1 1    6   44   24 o   26.048   3.0823   85.700   18.591   0.0000   0.0000   85.700   18.591  ?   ?    26.048   3.0823 0.000000 3.082266 
1 1 1    6   44   25 o   8.8883   2.9342   9.6000   7.1533   0.0000   0.0000   9.6000   7.1533  ?   ?    8.8883   2.9342 0.000000 2.934242 
1 1 1    6   44   26 o   23.155   3.0649   68.800   16.346   0.0000   0.0000   68.800   16.346  ?   ?    23.155   3.0649 0.000000 3.064887 
1 1 1    6   44   27 o   24.699   3.1762   79.500   18.095   0.0000   0.0000   79.500   18.095  ?   ?    24.699   3.1762 0.000000 3.176207 
1 1 1    6   44   28 o   13.671   3.1101   25.100   9.8140   0.0000   0.0000   25.100   9.8140  ?   ?    13.671   3.1101 0.000000 3.110108 
1 1 1    6   44   29 o   38.100   4.2254  209.500   37.374   0.0000   0.0000  209.500   37.374  ?   ?    38.100   4.2254 0.000000 4.225411 
1 1 1    6   44   30 o   10.721   3.2300   15.900   8.8517   0.0000   0.0000   15.900   8.8517  ?   ?    10.721   3.2300 0.000000 3.230018 
1 1 1    6   44   31 o   13.295   2.9811   24.300   9.1275   0.0000   0.0000   24.300   9.1275  ?   ?    13.295   2.9811 0.000000 2.981050 
1 1 1    6   44   32 o   16.171   3.3637   37.200   12.426   0.0000   0.0000   37.200   12.426  ?   ?    16.171   3.3637 0.000000 3.363652 
1 1 1    6   44   33 o   8.7539   3.0876  10.0000   7.9446   0.0000   0.0000  10.0000   7.9446  ?   ?    8.7539   3.0876 0.000000 3.087637 
1 1 1    6   44   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   45    0 o   22.698   2.9286   64.600   14.977   64.600   14.977   64.600   14.977   22.698   2.9286   22.698   2.9286 0.000000 0.000000 
1 1 1    6   45    1 o   13.558   1.8231   22.325   5.6887   23.900   8.2532   20.900   7.8519   13.854   2.6187   12.927   2.6610 0.9274187 3.733449 
1 1 1    6   45    2 o   38.788   2.5736  182.354   23.438  164.400   33.197  200.200   33.096   36.192   3.9484   40.208   3.5212 -4.015915 5.290433 
1 1 1    6   45    3 f   9.5135   1.8637   11.177   4.0369   9.4000   5.6724   13.000   5.7466   8.7467   2.5739   10.192   2.4232 -1.445519 3.535127 
1 1 1    6   45    4 f   19.336   1.8468   45.056   8.3297   46.100   11.746   44.000   11.814   19.364   2.6374   18.884   2.7286 0.4797630 3.794929 
1 1 1    6   45    5 o   22.023   1.9262   58.439   9.9168   54.700   13.913   62.300   14.139   21.043   2.8751   22.532   2.7118 -1.488718 3.952240 
1 1 1    6   45    6 o   36.667   2.4480  162.816   21.073  178.000   29.886  147.800   29.719   37.932   3.3718   34.368   3.7215 3.563461 5.021775 
1 1 1    6   45    7 o   15.044   1.8123   27.415   6.3085   41.000   9.9554   18.300   8.1546   18.310   2.3574   12.034   2.9031 6.275380 3.739684 
1 1 1    6   45    8 o   15.946   2.5970   31.500   9.4422   0.0000   0.0000   31.500   9.4422  ?   ?    15.946   2.5970 0.000000 2.597048 
1 1 1    6   45    9 o   29.737   3.2256  109.600   22.287   0.0000   0.0000  109.600   22.287  ?   ?    29.737   3.2256 0.000000 3.225626 
1 1 1    6   45   10 o   20.520   2.9966   52.400   14.092   0.0000   0.0000   52.400   14.092  ?   ?    20.520   2.9966 0.000000 2.996595 
1 1 1    6   45   11 o   20.171   3.0366   50.800   14.015   0.0000   0.0000   50.800   14.015  ?   ?    20.171   3.0366 0.000000 3.036590 
1 1 1    6   45   12 o   10.307   2.7252   13.400   6.7341   0.0000   0.0000   13.400   6.7341  ?   ?    10.307   2.7252 0.000000 2.725200 
1 1 1    6   45   13 o   38.022   3.7307  182.500   33.064   0.0000   0.0000  182.500   33.064  ?   ?    38.022   3.7307 0.000000 3.730663 
1 1 1    6   45   14 o   14.289   2.9605   25.900   9.6608   0.0000   0.0000   25.900   9.6608  ?   ?    14.289   2.9605 0.000000 2.960497 
1 1 1    6   45   15 o   24.797   2.9949   76.600   17.182   0.0000   0.0000   76.600   17.182  ?   ?    24.797   2.9949 0.000000 2.994876 
1 1 1    6   45   16 o   49.754   4.7113  325.400   54.692   0.0000   0.0000  325.400   54.692  ?   ?    49.754   4.7113 0.000000 4.711296 
1 1 1    6   45   17 o   24.988   2.9925   77.900   17.306   0.0000   0.0000   77.900   17.306  ?   ?    24.988   2.9925 0.000000 2.992504 
1 1 1    6   45   18 o   10.173   3.0285   13.000   7.8164   0.0000   0.0000   13.000   7.8164  ?   ?    10.173   3.0285 0.000000 3.028531 
1 1 1    6   45   19 o   38.420   3.8820  189.300   34.735   0.0000   0.0000  189.300   34.735  ?   ?    38.420   3.8820 0.000000 3.881956 
1 1 1    6   45   20 o   24.655   3.0650   76.400   17.459   0.0000   0.0000   76.400   17.459  ?   ?    24.655   3.0650 0.000000 3.064954 
1 1 1    6   45   21 o   48.688   4.6865  316.700   53.215   0.0000   0.0000  316.700   53.215  ?   ?    48.688   4.6865 0.000000 4.686474 
1 1 1    6   45   22 o   29.672   3.3137  112.000   22.821   0.0000   0.0000  112.000   22.821  ?   ?    29.672   3.3137 0.000000 3.313716 
1 1 1    6   45   23 o   15.751   2.9132   31.800   10.436   0.0000   0.0000   31.800   10.436  ?   ?    15.751   2.9132 0.000000 2.913249 
1 1 1    6   45   24 o   20.958   2.8582   55.900   13.777   0.0000   0.0000   55.900   13.777  ?   ?    20.958   2.8582 0.000000 2.858238 
1 1 1    6   45   25 o   24.853   3.0316   79.700   17.423   0.0000   0.0000   79.700   17.423  ?   ?    24.853   3.0316 0.000000 3.031592 
1 1 1    6   45   26 o   23.924   3.1380   75.200   17.300   0.0000   0.0000   75.200   17.300  ?   ?    23.924   3.1380 0.000000 3.137977 
1 1 1    6   45   27 o   17.282   2.9183   39.500   11.485   0.0000   0.0000   39.500   11.485  ?   ?    17.282   2.9183 0.000000 2.918267 
1 1 1    6   45   28 o   24.190   3.1841   78.900   17.746   0.0000   0.0000   78.900   17.746  ?   ?    24.190   3.1841 0.000000 3.184122 
1 1 1    6   45   29 o   2.8290   1.4111  -9.7000   3.8137   0.0000   0.0000  -9.7000   3.8137  ?   ?    2.8290   1.4111 0.000000 1.411124 
1 1 1    6   45   30 f   18.695   2.9966   47.500   12.782   0.0000   0.0000   47.500   12.782  ?   ?    18.695   2.9966 0.000000 2.996611 
1 1 1    6   45   31 o   5.0067   2.2742  -2.5000   5.8544   0.0000   0.0000  -2.5000   5.8544  ?   ?    5.0067   2.2742 0.000000 2.274165 
1 1 1    6   45   32 o   13.588   3.1751   26.200   10.004   0.0000   0.0000   26.200   10.004  ?   ?    13.588   3.1751 0.000000 3.175139 
1 1 1    6   46    0 o   13.072   3.3181   24.000   8.8559   24.000   8.8559   24.000   8.8559   13.072   3.3181   13.072   3.3181 0.000000 0.000000 
1 1 1    6   46    1 f   27.751   2.1575   93.073   14.027  101.300   19.810   84.800   19.865   28.675   2.9687   26.082   3.2991 2.592140 4.438157 
1 1 1    6   46    2 o   10.439   2.8416   13.700   7.1921   0.0000   0.0000   13.700   7.1921  ?   ?    10.439   2.8416 0.000000 2.841551 
1 1 1    6   46    3 o   10.908   2.6902   15.000   6.8860   0.0000   0.0000   15.000   6.8860  ?   ?    10.908   2.6902 0.000000 2.690188 
1 1 1    6   46    4 o   21.135   2.9016   55.400   14.098   0.0000   0.0000   55.400   14.098  ?   ?    21.135   2.9016 0.000000 2.901550 
1 1 1    6   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   46    6 o   14.264   3.0296   25.800   9.8897   0.0000   0.0000   25.800   9.8897  ?   ?    14.264   3.0296 0.000000 3.029632 
1 1 1    6   46    7 o   25.849   3.0660   83.000   18.350   0.0000   0.0000   83.000   18.350  ?   ?    25.849   3.0660 0.000000 3.066042 
1 1 1    6   46    8 f   45.655   4.3362  267.700   46.187   0.0000   0.0000  267.700   46.187  ?   ?    45.655   4.3362 0.000000 4.336222 
1 1 1    6   46    9 o   36.717   3.6937  170.000   31.591   0.0000   0.0000  170.000   31.591  ?   ?    36.717   3.6937 0.000000 3.693750 
1 1 1    6   46   10 o   22.349   2.9077   62.100   14.982   0.0000   0.0000   62.100   14.982  ?   ?    22.349   2.9077 0.000000 2.907750 
1 1 1    6   46   11 o   26.371   3.1918   87.000   19.471   0.0000   0.0000   87.000   19.471  ?   ?    26.371   3.1918 0.000000 3.191801 
1 1 1    6   46   12 o   25.709   3.1577   82.700   18.766   0.0000   0.0000   82.700   18.766  ?   ?    25.709   3.1577 0.000000 3.157662 
1 1 1    6   46   13 o   29.296   3.1969  107.300   21.756   0.0000   0.0000  107.300   21.756  ?   ?    29.296   3.1969 0.000000 3.196864 
1 1 1    6   46   14 o   13.195   2.9572   22.200   8.9858   0.0000   0.0000   22.200   8.9858  ?   ?    13.195   2.9572 0.000000 2.957200 
1 1 1    6   46   15 o   9.0352   2.5960   10.200   5.8322   0.0000   0.0000   10.200   5.8322  ?   ?    9.0352   2.5960 0.000000 2.596042 
1 1 1    6   46   16 o   7.8652   2.6705   7.1000   5.9201   0.0000   0.0000   7.1000   5.9201  ?   ?    7.8652   2.6705 0.000000 2.670464 
1 1 1    6   46   17 o   29.967   3.3884  113.600   23.557   0.0000   0.0000  113.600   23.557  ?   ?    29.967   3.3884 0.000000 3.388444 
1 1 1    6   46   18 o   34.739   3.5669  153.700   28.844   0.0000   0.0000  153.700   28.844  ?   ?    34.739   3.5669 0.000000 3.566855 
1 1 1    6   46   19 o   15.964   2.6267   32.000   9.5574   0.0000   0.0000   32.000   9.5574  ?   ?    15.964   2.6267 0.000000 2.626707 
1 1 1    6   46   20 o   20.385   2.9386   52.600   13.737   0.0000   0.0000   52.600   13.737  ?   ?    20.385   2.9386 0.000000 2.938648 
1 1 1    6   46   21 o   17.836   2.8113   40.400   11.448   0.0000   0.0000   40.400   11.448  ?   ?    17.836   2.8113 0.000000 2.811329 
1 1 1    6   46   22 o   12.348   2.9351   19.900   8.4324   0.0000   0.0000   19.900   8.4324  ?   ?    12.348   2.9351 0.000000 2.935088 
1 1 1    6   46   23 o   29.238   3.3368  111.900   22.625   0.0000   0.0000  111.900   22.625  ?   ?    29.238   3.3368 0.000000 3.336810 
1 1 1    6   46   24 o   28.455   3.3209  107.100   21.895   0.0000   0.0000  107.100   21.895  ?   ?    28.455   3.3209 0.000000 3.320947 
1 1 1    6   46   25 o   27.199   3.2114   98.500   20.228   0.0000   0.0000   98.500   20.228  ?   ?    27.199   3.2114 0.000000 3.211441 
1 1 1    6   46   26 o   28.312   3.4006  109.200   22.280   0.0000   0.0000  109.200   22.280  ?   ?    28.312   3.4006 0.000000 3.400619 
1 1 1    6   46   27 o   14.684   3.0534   29.400   10.243   0.0000   0.0000   29.400   10.243  ?   ?    14.684   3.0534 0.000000 3.053428 
1 1 1    6   46   28 o   12.502   3.1930   21.900   9.4597   0.0000   0.0000   21.900   9.4597  ?   ?    12.502   3.1930 0.000000 3.193024 
1 1 1    6   46   29 o   6.1180   2.5678   1.8000   6.2664   0.0000   0.0000   1.8000   6.2664  ?   ?    6.1180   2.5678 0.000000 2.567775 
1 1 1    6   46   30 o   5.8775   2.5552   0.2000   6.6112   0.0000   0.0000   0.2000   6.6112  ?   ?    5.8775   2.5552 0.000000 2.555213 
1 1 1    6   46   31 o   14.264   3.2395   29.000   10.663   0.0000   0.0000   29.000   10.663  ?   ?    14.264   3.2395 0.000000 3.239518 
1 1 1    6   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   12 o   23.231   3.0958   67.700   16.560   0.0000   0.0000   67.700   16.560  ?   ?    23.231   3.0958 0.000000 3.095797 
1 1 1    6   47   13 o   6.5168   2.4545   3.9000   5.1410   0.0000   0.0000   3.9000   5.1410  ?   ?    6.5168   2.4545 0.000000 2.454476 
1 1 1    6   47   14 o   9.0295   2.8348  10.0000   6.7315   0.0000   0.0000  10.0000   6.7315  ?   ?    9.0295   2.8348 0.000000 2.834805 
1 1 1    6   47   15 o   16.844   2.7155   35.600   10.434   0.0000   0.0000   35.600   10.434  ?   ?    16.844   2.7155 0.000000 2.715459 
1 1 1    6   47   16 o   21.993   2.9063   60.700   14.723   0.0000   0.0000   60.700   14.723  ?   ?    21.993   2.9063 0.000000 2.906280 
1 1 1    6   47   17 o   9.5555   2.8662   11.500   6.9814   0.0000   0.0000   11.500   6.9814  ?   ?    9.5555   2.8662 0.000000 2.866221 
1 1 1    6   47   18 o   24.764   3.0875   77.900   17.663   0.0000   0.0000   77.900   17.663  ?   ?    24.764   3.0875 0.000000 3.087484 
1 1 1    6   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   47   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   48   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   49   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   51   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   52   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   53   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    6   54    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    1 o  178.240   9.4831  3793.76  396.553  3793.76  396.553  3793.76  396.553  178.240   9.4831  178.240   9.4831 0.000000 0.000000 
1 1 1    7    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0    9 o  338.306   26.232 13957.60  2066.57 13957.60  2066.57 13957.60  2066.57  338.306   26.232  338.306   26.232 0.000000 0.000000 
1 1 1    7    0   10 o  122.109   6.7089  1778.18  192.113  1778.18  192.113  1778.18  192.113  122.109   6.7089  122.109   6.7089 0.000000 0.000000 
1 1 1    7    0   11 o  163.158   8.8577  3176.66  338.966  3176.66  338.966  3176.66  338.966  163.158   8.8577  163.158   8.8577 0.000000 0.000000 
1 1 1    7    0   12 o  232.061   17.883  6521.70  966.561  6521.70  966.561  6521.70  966.561  232.061   17.883  232.061   17.883 0.000000 0.000000 
1 1 1    7    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   14 o  232.029   17.913  6530.50  967.982  6530.50  967.982  6530.50  967.982  232.029   17.913  232.029   17.913 0.000000 0.000000 
1 1 1    7    0   15 o   15.994   2.6569   32.600   9.2016   32.600   9.2016   32.600   9.2016   15.994   2.6569   15.994   2.6569 0.000000 0.000000 
1 1 1    7    0   16 o  201.330   15.579  4918.00  730.466  4918.00  730.466  4918.00  730.466  201.330   15.579  201.330   15.579 0.000000 0.000000 
1 1 1    7    0   17 o  156.169   12.124  2950.80  440.907  2950.80  440.907  2950.80  440.907  156.169   12.124  156.169   12.124 0.000000 0.000000 
1 1 1    7    0   18 o   98.053   7.7627  1160.00  177.143  1160.00  177.143  1160.00  177.143   98.053   7.7627   98.053   7.7627 0.000000 0.000000 
1 1 1    7    0   19 o  164.971   12.826  3303.40  492.714  3303.40  492.714  3303.40  492.714  164.971   12.826  164.971   12.826 0.000000 0.000000 
1 1 1    7    0   20 o  136.940   10.691  2271.20  340.865  2271.20  340.865  2271.20  340.865  136.940   10.691  136.940   10.691 0.000000 0.000000 
1 1 1    7    0   21 o  299.020   23.762 11187.90  1653.42 11187.90  1653.42 11187.90  1653.42  299.020   23.762  299.020   23.762 0.000000 0.000000 
1 1 1    7    0   22 o  350.770   28.480 15740.00  2323.21 15740.00  2323.21 15740.00  2323.21  350.770   28.480  350.770   28.480 0.000000 0.000000 
1 1 1    7    0   23 f   72.937   5.9478  642.400  100.872  642.400  100.872  642.400  100.872   72.937   5.9478   72.937   5.9478 0.000000 0.000000 
1 1 1    7    0   24 o  342.855   27.988 15108.00  2231.16 15108.00  2231.16 15108.00  2231.16  342.855   27.988  342.855   27.988 0.000000 0.000000 
1 1 1    7    0   25 o   43.028   3.9229  224.300   39.097  224.300   39.097  224.300   39.097   43.028   3.9229   43.028   3.9229 0.000000 0.000000 
1 1 1    7    0   26 o   75.145   6.1077  682.300  106.729  682.300  106.729  682.300  106.729   75.145   6.1077   75.145   6.1077 0.000000 0.000000 
1 1 1    7    0   27 o  271.085   21.791  9289.80  1374.18  9289.80  1374.18  9289.80  1374.18  271.085   21.791  271.085   21.791 0.000000 0.000000 
1 1 1    7    0   28 o  110.741   8.7519  1488.70  225.574  1488.70  225.574  1488.70  225.574  110.741   8.7519  110.741   8.7519 0.000000 0.000000 
1 1 1    7    0   29 o  202.398   16.121  5110.60  759.213  5110.60  759.213  5110.60  759.213  202.398   16.121  202.398   16.121 0.000000 0.000000 
1 1 1    7    0   30 o  136.464   10.797  2285.30  342.924  2285.30  342.924  2285.30  342.924  136.464   10.797  136.464   10.797 0.000000 0.000000 
1 1 1    7    0   31 o   19.602   2.7811   48.100   12.125   48.100   12.125   48.100   12.125   19.602   2.7811   19.602   2.7811 0.000000 0.000000 
1 1 1    7    0   32 o   49.220   4.3409  294.100   49.550  294.100   49.550  294.100   49.550   49.220   4.3409   49.220   4.3409 0.000000 0.000000 
1 1 1    7    0   33 o   15.959   2.7581   32.700   9.4628   32.700   9.4628   32.700   9.4628   15.959   2.7581   15.959   2.7581 0.000000 0.000000 
1 1 1    7    0   34 o  ?   ?   -2.4000   0.5456  -2.4000   0.5456  -2.4000   0.5456  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    7    0   35 o   12.587   2.8521   21.400   7.3919   21.400   7.3919   21.400   7.3919   12.587   2.8521   12.587   2.8521 0.000000 0.000000 
1 1 1    7    0   36 o   31.263   3.2355  119.700   23.300  119.700   23.300  119.700   23.300   31.263   3.2355   31.263   3.2355 0.000000 0.000000 
1 1 1    7    0   37 o   16.379   2.7185   34.300   9.6431   34.300   9.6431   34.300   9.6431   16.379   2.7185   16.379   2.7185 0.000000 0.000000 
1 1 1    7    0   38 o   7.6510   2.9077   9.4000   4.9383   9.4000   4.9383   9.4000   4.9383   7.6510   2.9077   7.6510   2.9077 0.000000 0.000000 
1 1 1    7    0   39 o   15.717   2.8263   32.000   9.4811   32.000   9.4811   32.000   9.4811   15.717   2.8263   15.717   2.8263 0.000000 0.000000 
1 1 1    7    0   40 o   5.3488   2.6526   5.0000   4.0427   5.0000   4.0427   5.0000   4.0427   5.3488   2.6526   5.3488   2.6526 0.000000 0.000000 
1 1 1    7    0   41 o   7.7380   2.9805   9.7000   5.1604   9.7000   5.1604   9.7000   5.1604   7.7380   2.9805   7.7380   2.9805 0.000000 0.000000 
1 1 1    7    0   42 o   8.6448   2.8707   11.400   5.2155   11.400   5.2155   11.400   5.2155   8.6448   2.8707   8.6448   2.8707 0.000000 0.000000 
1 1 1    7    0   43 o   38.816   3.7508  186.800   33.642  186.800   33.642  186.800   33.642   38.816   3.7508   38.816   3.7508 0.000000 0.000000 
1 1 1    7    0   44 o   6.7604   3.3503   8.1000   6.4472   8.1000   6.4472   8.1000   6.4472   6.7604   3.3503   6.7604   3.3503 0.000000 0.000000 
1 1 1    7    0   45 o   22.755   3.0940   65.500   15.756   65.500   15.756   65.500   15.756   22.755   3.0940   22.755   3.0940 0.000000 0.000000 
1 1 1    7    0   46 o   13.023   3.3252   23.900   8.8398   23.900   8.8398   23.900   8.8398   13.023   3.3252   13.023   3.3252 0.000000 0.000000 
1 1 1    7    0   47 o   34.760   3.5150  151.000   28.175  151.000   28.175  151.000   28.175   34.760   3.5150   34.760   3.5150 0.000000 0.000000 
1 1 1    7    0   48 f   35.875   3.6338  162.000   30.060  162.000   30.060  162.000   30.060   35.875   3.6338   35.875   3.6338 0.000000 0.000000 
1 1 1    7    0   49 o   5.5959   3.0516   5.4000   5.7237   5.4000   5.7237   5.4000   5.7237   5.5959   3.0516   5.5959   3.0516 0.000000 0.000000 
1 1 1    7    0   50 o   12.910   3.4434   24.100   9.0705   24.100   9.0705   24.100   9.0705   12.910   3.4434   12.910   3.4434 0.000000 0.000000 
1 1 1    7    0   51 o   4.6791   2.7871   3.0000   5.4093   3.0000   5.4093   3.0000   5.4093   4.6791   2.7871   4.6791   2.7871 0.000000 0.000000 
1 1 1    7    0   52 o   7.0979   3.1674   8.9000   5.6373   8.9000   5.6373   8.9000   5.6373   7.0979   3.1674   7.0979   3.1674 0.000000 0.000000 
1 1 1    7    0   53 o   21.372   3.0257   59.400   14.387   59.400   14.387   59.400   14.387   21.372   3.0257   21.372   3.0257 0.000000 0.000000 
1 1 1    7    0   54 o   3.5140   2.2517   0.4000   4.2194   0.4000   4.2194   0.4000   4.2194   3.5140   2.2517   3.5140   2.2517 0.000000 0.000000 
1 1 1    7    0   55 o   5.4202   3.0890   5.2000   6.1866   5.2000   6.1866   5.2000   6.1866   5.4202   3.0890   5.4202   3.0890 0.000000 0.000000 
1 1 1    7    0   56 o   10.926   3.5637   19.600   8.1411   19.600   8.1411   19.600   8.1411   10.926   3.5637   10.926   3.5637 0.000000 0.000000 
1 1 1    7    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    3 o  192.323   10.161  4405.81  459.837  4759.00  650.387  4052.80  650.228  199.160   13.917  183.433   15.147 15.72714 20.56984 
1 1 1    7    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    7 o  237.042   12.803  6701.28  713.963  6908.60  1007.94  6492.50  1011.46  239.549   17.949  232.012   18.619 7.537552 25.86184 
1 1 1    7    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1   10 o  323.352   24.868 12768.20  1884.27 12768.20  1884.27   0.0000   0.0000  323.352   24.868  ?   ?  0.000000 24.86834 
1 1 1    7    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1   12 o  281.946   21.600  9663.50  1427.13  9663.50  1427.13   0.0000   0.0000  281.946   21.600  ?   ?  0.000000 21.59989 
1 1 1    7    1   13 o  334.300   25.918 13759.90  2029.99 13759.90  2029.99   0.0000   0.0000  334.300   25.918  ?   ?  0.000000 25.91808 
1 1 1    7    1   14 o  377.514   29.745 17837.90  2630.15 17837.90  2630.15   0.0000   0.0000  377.514   29.745  ?   ?  0.000000 29.74533 
1 1 1    7    1   15 o  125.198   6.7711  1862.15  199.435  1997.90  281.989  1726.30  282.098  129.354   9.2938  120.073   10.041 9.281227 13.68235 
1 1 1    7    1   16 o  171.515   9.2693  3508.05  374.021  3599.10  528.210  3416.50  529.684  172.907   13.033  168.335   13.437 4.571152 18.71939 
1 1 1    7    1   17 o  220.238   16.978  5916.00  876.142  5916.00  876.142   0.0000   0.0000  220.238   16.978  ?   ?  0.000000 16.97791 
1 1 1    7    1   18 o  319.463   25.605 12984.70  1915.33 12984.70  1915.33   0.0000   0.0000  319.463   25.605  ?   ?  0.000000 25.60508 
1 1 1    7    1   19 o  251.702   19.779  7888.60  1166.11  7888.60  1166.11   0.0000   0.0000  251.702   19.779  ?   ?  0.000000 19.77888 
1 1 1    7    1   20 o  215.434   16.803  5722.60  848.018  5722.60  848.018   0.0000   0.0000  215.434   16.803  ?   ?  0.000000 16.80262 
1 1 1    7    1   21 o   30.707   3.0720  112.600   21.977  112.600   21.977   0.0000   0.0000   30.707   3.0720  ?   ?  0.000000 3.072029 
1 1 1    7    1   22 o  151.891   11.744  2800.40  417.943  2800.40  417.943   0.0000   0.0000  151.891   11.744  ?   ?  0.000000 11.74381 
1 1 1    7    1   23 o  183.069   14.262  4117.60  611.655  4117.60  611.655   0.0000   0.0000  183.069   14.262  ?   ?  0.000000 14.26167 
1 1 1    7    1   24 o  173.441   13.500  3688.60  548.562  3688.60  548.562   0.0000   0.0000  173.441   13.500  ?   ?  0.000000 13.50038 
1 1 1    7    1   25 o  286.211   23.689 10749.00  1586.64 10749.00  1586.64   0.0000   0.0000  286.211   23.689  ?   ?  0.000000 23.68923 
1 1 1    7    1   26 o  141.019   10.959  2419.40  362.073  2419.40  362.073   0.0000   0.0000  141.019   10.959  ?   ?  0.000000 10.95924 
1 1 1    7    1   27 o   71.444   5.7359  610.900   95.952  610.900   95.952   0.0000   0.0000   71.444   5.7359  ?   ?  0.000000 5.735904 
1 1 1    7    1   28 o   80.967   6.4330  787.000  121.980  787.000  121.980   0.0000   0.0000   80.967   6.4330  ?   ?  0.000000 6.433007 
1 1 1    7    1   29 o   33.104   3.2118  131.000   24.791  131.000   24.791   0.0000   0.0000   33.104   3.2118  ?   ?  0.000000 3.211769 
1 1 1    7    1   30 o   81.385   6.4867  798.900  123.626  798.900  123.626   0.0000   0.0000   81.385   6.4867  ?   ?  0.000000 6.486693 
1 1 1    7    1   31 o  159.648   12.972  3252.70  484.790  3252.70  484.790   0.0000   0.0000  159.648   12.972  ?   ?  0.000000 12.97181 
1 1 1    7    1   32 o   58.200   4.8549  407.900   66.113  407.900   66.113   0.0000   0.0000   58.200   4.8549  ?   ?  0.000000 4.854949 
1 1 1    7    1   33 o   63.247   5.2203  484.200   77.267  484.200   77.267   0.0000   0.0000   63.247   5.2203  ?   ?  0.000000 5.220285 
1 1 1    7    1   34 o   51.587   4.4067  321.400   53.166  321.400   53.166   0.0000   0.0000   51.587   4.4067  ?   ?  0.000000 4.406749 
1 1 1    7    1   35 o   61.387   5.1278  459.400   73.650  459.400   73.650   0.0000   0.0000   61.387   5.1278  ?   ?  0.000000 5.127789 
1 1 1    7    1   36 o   42.047   3.7899  213.700   37.225  213.700   37.225   0.0000   0.0000   42.047   3.7899  ?   ?  0.000000 3.789887 
1 1 1    7    1   37 o   25.245   2.8101   76.900   16.468   76.900   16.468   0.0000   0.0000   25.245   2.8101  ?   ?  0.000000 2.810105 
1 1 1    7    1   38 o   41.856   3.7937  212.600   37.088  212.600   37.088   0.0000   0.0000   41.856   3.7937  ?   ?  0.000000 3.793680 
1 1 1    7    1   39 o   41.400   3.7752  208.600   36.500  208.600   36.500   0.0000   0.0000   41.400   3.7752  ?   ?  0.000000 3.775167 
1 1 1    7    1   40 o   35.197   3.3985  150.800   27.895  150.800   27.895   0.0000   0.0000   35.197   3.3985  ?   ?  0.000000 3.398513 
1 1 1    7    1   41 o   73.011   6.3414  693.000  108.244  693.000  108.244   0.0000   0.0000   73.011   6.3414  ?   ?  0.000000 6.341431 
1 1 1    7    1   42 o   47.597   4.2879  283.700   47.675  283.700   47.675   0.0000   0.0000   47.597   4.2879  ?   ?  0.000000 4.287906 
1 1 1    7    1   43 o   25.017   2.8625   76.800   16.606   76.800   16.606   0.0000   0.0000   25.017   2.8625  ?   ?  0.000000 2.862540 
1 1 1    7    1   44 o   23.089   2.7741   65.600   14.821   65.600   14.821   0.0000   0.0000   23.089   2.7741  ?   ?  0.000000 2.774059 
1 1 1    7    1   45 o   25.796   2.9237   82.200   17.495   82.200   17.495   0.0000   0.0000   25.796   2.9237  ?   ?  0.000000 2.923674 
1 1 1    7    1   46 o   35.797   3.5291  160.700   29.443  160.700   29.443   0.0000   0.0000   35.797   3.5291  ?   ?  0.000000 3.529081 
1 1 1    7    1   47 o   31.045   3.2447  120.600   23.435  120.600   23.435   0.0000   0.0000   31.045   3.2447  ?   ?  0.000000 3.244680 
1 1 1    7    1   48 o   32.734   3.3772  135.800   25.729  135.800   25.729   0.0000   0.0000   32.734   3.3772  ?   ?  0.000000 3.377156 
1 1 1    7    1   49 o   15.510   2.6301   30.400   9.2886   30.400   9.2886   0.0000   0.0000   15.510   2.6301  ?   ?  0.000000 2.630098 
1 1 1    7    1   50 o   11.574   2.5540   17.200   6.7933   17.200   6.7933   0.0000   0.0000   11.574   2.5540  ?   ?  0.000000 2.554028 
1 1 1    7    1   51 o   11.024   2.5507   15.700   6.5079   15.700   6.5079   0.0000   0.0000   11.024   2.5507  ?   ?  0.000000 2.550652 
1 1 1    7    1   52 o   7.4437   2.3006   6.9000   4.4530   6.9000   4.4530   0.0000   0.0000   7.4437   2.3006  ?   ?  0.000000 2.300570 
1 1 1    7    1   53 o   13.564   2.5979   23.900   8.0180   23.900   8.0180   0.0000   0.0000   13.564   2.5979  ?   ?  0.000000 2.597873 
1 1 1    7    1   54 o   25.892   3.1544   90.700   18.888   90.700   18.888   0.0000   0.0000   25.892   3.1544  ?   ?  0.000000 3.154448 
1 1 1    7    1   55 o   10.222   2.5498   14.300   6.1343   14.300   6.1343   0.0000   0.0000   10.222   2.5498  ?   ?  0.000000 2.549772 
1 1 1    7    1   56 o   4.6437   1.8695   1.6000   3.1471   1.6000   3.1471   0.0000   0.0000   4.6437   1.8695  ?   ?  0.000000 1.869505 
1 1 1    7    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2    0 o   81.781   6.5532  805.800  124.682  805.800  124.682  805.800  124.682   81.781   6.5532   81.781   6.5532 0.000000 0.000000 
1 1 1    7    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2    2 o  227.200   11.841  6162.28  633.085  6718.00  895.735  5607.60  894.901  236.162   16.159  215.208   17.769 20.95447 24.01781 
1 1 1    7    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2    6 o  246.180   13.314  7234.10  771.108  7522.00  1088.91  6944.50  1092.12  249.777   18.595  239.703   19.463 10.07391 26.91784 
1 1 1    7    2    7 o  258.472   14.130  7980.40  859.137  8482.20  1213.44  7476.00  1216.58  265.132   19.519  248.413   20.935 16.71881 28.62274 
1 1 1    7    2    8 o  307.411   23.573 11492.10  1698.18 11492.10  1698.18   0.0000   0.0000  307.411   23.573  ?   ?  0.000000 23.57347 
1 1 1    7    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2   10 o  210.784   11.219  5291.41  556.422  5357.40  786.543  5225.30  787.256  211.193   15.888  208.507   16.115 2.685806 22.62995 
1 1 1    7    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2   12 o  384.893   30.200 18416.70  2722.73 18416.70  2722.73   0.0000   0.0000  384.893   30.200  ?   ?  0.000000 30.19968 
1 1 1    7    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2   14 o  407.282   32.423 20983.30  3092.40 20983.30  3092.40   0.0000   0.0000  407.282   32.423  ?   ?  0.000000 32.42275 
1 1 1    7    2   15 o  308.707   17.352 11533.50  1259.76 13029.70  1779.99 10032.00  1783.14  325.041   23.346  282.952   27.016 42.08936 35.70596 
1 1 1    7    2   16 o  220.424   12.342  5827.70  639.839  6814.80  904.251  4837.90  905.489  237.101   16.249  198.369   19.586 38.73233 25.44902 
1 1 1    7    2   17 o  273.125   21.338  9243.20  1365.23  9243.20  1365.23   0.0000   0.0000  273.125   21.338  ?   ?  0.000000 21.33756 
1 1 1    7    2   18 o   99.637   5.5617  1179.80  130.333  1265.20  184.104  1094.00  184.534  102.905   7.6307   95.547   8.2602 7.358505 11.24540 
1 1 1    7    2   19 o  283.237   15.318  9780.04  1020.73  9722.00  1441.57  9838.40  1445.49  277.689   22.169  279.420   22.088 -1.730865 31.29438 
1 1 1    7    2   20 o  150.575   7.9585  2707.74  281.968  2611.40  398.116  2804.70  399.412  146.936   11.568  152.427   11.175 -5.490906 16.08369 
1 1 1    7    2   21 o   73.808   4.1380  646.861   71.830  651.000  101.448  642.700  101.718   73.834   5.8671   73.350   5.9231 0.4831390 8.337026 
1 1 1    7    2   22 o  102.859   5.4082  1258.54  130.896  1170.50  184.736  1347.30  185.498   98.742   7.9915  106.090   7.4519 -7.348061 10.92680 
1 1 1    7    2   23 o  105.060   5.7865  1314.66  143.002  1355.10  201.962  1274.00  202.510  106.229   8.1126  102.919   8.4062 3.310387 11.68240 
1 1 1    7    2   24 o   34.225   2.2446  139.022   18.040  163.300   25.527  114.800   25.497   37.045   2.9424   30.945   3.5538 6.100079 4.613842 
1 1 1    7    2   25 o  241.361   13.303  7129.27  755.281  7291.30  1066.57  6966.30  1069.69  239.803   18.991  233.898   19.547 5.905380 27.25271 
1 1 1    7    2   26 o  126.560   7.0188  1916.14  208.936  2049.50  295.165  1782.20  295.796  130.158   9.6727  121.079   10.448 9.078728 14.23810 
1 1 1    7    2   27 o   66.505   5.3910  529.000   83.934  529.000   83.934   0.0000   0.0000   66.505   5.3910  ?   ?  0.000000 5.391028 
1 1 1    7    2   28 o  133.485   10.425  2174.80  326.005  2174.80  326.005   0.0000   0.0000  133.485   10.425  ?   ?  0.000000 10.42534 
1 1 1    7    2   29 o  119.200   9.3411  1731.60  260.824  1731.60  260.824   0.0000   0.0000  119.200   9.3411  ?   ?  0.000000 9.341130 
1 1 1    7    2   30 f   50.884   4.3268  310.000   51.495  310.000   51.495   0.0000   0.0000   50.884   4.3268  ?   ?  0.000000 4.326754 
1 1 1    7    2   31 o   68.473   5.5674  564.900   89.238  564.900   89.238   0.0000   0.0000   68.473   5.5674  ?   ?  0.000000 5.567362 
1 1 1    7    2   32 o   96.966   7.7559  1154.50  176.102  1154.50  176.102   0.0000   0.0000   96.966   7.7559  ?   ?  0.000000 7.755866 
1 1 1    7    2   33 o   71.839   5.8492  627.600   98.363  627.600   98.363   0.0000   0.0000   71.839   5.8492  ?   ?  0.000000 5.849215 
1 1 1    7    2   34 o   66.557   5.4802  539.300   85.364  539.300   85.364   0.0000   0.0000   66.557   5.4802  ?   ?  0.000000 5.480180 
1 1 1    7    2   35 o   71.526   5.8852  628.600   98.519  628.600   98.519   0.0000   0.0000   71.526   5.8852  ?   ?  0.000000 5.885229 
1 1 1    7    2   36 o   74.073   6.1231  678.900  106.141  678.900  106.141   0.0000   0.0000   74.073   6.1231  ?   ?  0.000000 6.123143 
1 1 1    7    2   37 o   16.626   2.4891   33.600   9.4715   33.600   9.4715   0.0000   0.0000   16.626   2.4891  ?   ?  0.000000 2.489064 
1 1 1    7    2   38 o   12.331   2.3832   18.700   6.6883   18.700   6.6883   0.0000   0.0000   12.331   2.3832  ?   ?  0.000000 2.383179 
1 1 1    7    2   39 o  112.780   10.027  1753.50  264.260  1753.50  264.260   0.0000   0.0000  112.780   10.027  ?   ?  0.000000 10.02746 
1 1 1    7    2   40 o   59.327   5.0973  439.200   70.716  439.200   70.716   0.0000   0.0000   59.327   5.0973  ?   ?  0.000000 5.097290 
1 1 1    7    2   41 o   18.984   2.6001   44.000   11.349   44.000   11.349   0.0000   0.0000   18.984   2.6001  ?   ?  0.000000 2.600105 
1 1 1    7    2   42 o   19.738   2.6300   47.700   11.953   47.700   11.953   0.0000   0.0000   19.738   2.6300  ?   ?  0.000000 2.629957 
1 1 1    7    2   43 o   54.887   4.9106  386.600   62.973  386.600   62.973   0.0000   0.0000   54.887   4.9106  ?   ?  0.000000 4.910580 
1 1 1    7    2   44 o   36.276   3.5350  164.000   29.896  164.000   29.896   0.0000   0.0000   36.276   3.5350  ?   ?  0.000000 3.535038 
1 1 1    7    2   45 o   35.632   3.5015  158.600   29.081  158.600   29.081   0.0000   0.0000   35.632   3.5015  ?   ?  0.000000 3.501467 
1 1 1    7    2   46 o   5.3835   1.9762   2.8000   3.2929   2.8000   3.2929   0.0000   0.0000   5.3835   1.9762  ?   ?  0.000000 1.976179 
1 1 1    7    2   47 o   10.407   2.5771   13.700   6.2996   13.700   6.2996   0.0000   0.0000   10.407   2.5771  ?   ?  0.000000 2.577060 
1 1 1    7    2   48 o   24.645   2.8994   76.000   16.551   76.000   16.551   0.0000   0.0000   24.645   2.8994  ?   ?  0.000000 2.899394 
1 1 1    7    2   49 o   34.510   3.5367  153.400   28.414  153.400   28.414   0.0000   0.0000   34.510   3.5367  ?   ?  0.000000 3.536712 
1 1 1    7    2   50 o   19.716   2.7719   49.400   12.549   49.400   12.549   0.0000   0.0000   19.716   2.7719  ?   ?  0.000000 2.771937 
1 1 1    7    2   51 o   37.194   3.8445  185.300   33.278  185.300   33.278   0.0000   0.0000   37.194   3.8445  ?   ?  0.000000 3.844528 
1 1 1    7    2   52 o   18.512   2.7749   44.100   11.756   44.100   11.756   0.0000   0.0000   18.512   2.7749  ?   ?  0.000000 2.774870 
1 1 1    7    2   53 o   13.593   2.7816   24.300   8.6277   24.300   8.6277   0.0000   0.0000   13.593   2.7816  ?   ?  0.000000 2.781615 
1 1 1    7    2   54 o   16.581   2.7515   36.500   10.395   36.500   10.395   0.0000   0.0000   16.581   2.7515  ?   ?  0.000000 2.751503 
1 1 1    7    2   55 o   10.416   2.7319   15.100   6.8029   15.100   6.8029   0.0000   0.0000   10.416   2.7319  ?   ?  0.000000 2.731938 
1 1 1    7    2   56 o   6.7960   2.3027   6.0000   4.4017   6.0000   4.4017   0.0000   0.0000   6.7960   2.3027  ?   ?  0.000000 2.302695 
1 1 1    7    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    2 o  230.285   12.668  6336.20  686.236  5773.20  971.651  6896.50  969.320  218.138   19.055  239.098   17.285 -20.96017 25.72625 
1 1 1    7    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    7 o  337.947   26.032 13959.00  2061.37 13959.00  2061.37   0.0000   0.0000  337.947   26.032  ?   ?  0.000000 26.03171 
1 1 1    7    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3    9 o  123.617   6.6659  1813.09  193.860  1889.80  274.092  1736.30  274.228  125.929   9.2828  120.624   9.7098 5.305717 13.43319 
1 1 1    7    3   10 o  284.034   21.723  9790.90  1445.94  9790.90  1445.94   0.0000   0.0000  284.034   21.723  ?   ?  0.000000 21.72321 
1 1 1    7    3   11 o   90.138   4.9072  963.279  104.057  1077.40  147.172  849.200  147.145   95.198   6.5874   84.364   7.4632 10.83314 9.954596 
1 1 1    7    3   12 o  309.608   23.837 11719.90  1729.30 11719.90  1729.30   0.0000   0.0000  309.608   23.837  ?   ?  0.000000 23.83691 
1 1 1    7    3   13 o  240.539   18.373  7001.50  1035.71  7001.50  1035.71   0.0000   0.0000  240.539   18.373  ?   ?  0.000000 18.37335 
1 1 1    7    3   14 o  284.583   21.948  9912.50  1463.55  9912.50  1463.55   0.0000   0.0000  284.583   21.948  ?   ?  0.000000 21.94846 
1 1 1    7    3   15 o  313.989   17.616 11947.06  1300.82 13062.70  1837.45 10826.10  1841.82  324.791   24.130  293.916   26.834 30.87561 36.08757 
1 1 1    7    3   16 o   73.128   4.2108  634.450   72.406  720.300  102.308  548.300  102.486   77.801   5.6064   67.716   6.4888 10.08522 8.575306 
1 1 1    7    3   17 o  126.239   9.7039  1910.00  287.055  1910.00  287.055   0.0000   0.0000  126.239   9.7039  ?   ?  0.000000 9.703930 
1 1 1    7    3   18 o  182.280   9.9445  3978.58  426.423  4123.80  602.065  3832.40  604.047  184.367   13.932  177.484   14.540 6.882080 20.13771 
1 1 1    7    3   19 o   35.297   2.3322  147.841   19.329  154.900   27.352  140.800   27.318   36.051   3.2478   34.338   3.4143 1.712299 4.712345 
1 1 1    7    3   20 o  175.112   9.5590  3677.22  393.772  3848.50  556.202  3505.10  557.557  177.879   13.339  169.437   14.062 8.442154 19.38239 
1 1 1    7    3   21 o  167.771   8.7113  3370.57  343.924  3187.80  485.220  3555.10  487.554  161.831   12.802  171.203   12.139 -9.371964 17.64190 
1 1 1    7    3   22 o  214.224   11.397  5548.42  574.469  5405.40  810.918  5692.50  813.933  208.736   16.589  214.479   16.190 -5.743088 23.17999 
1 1 1    7    3   23 o  314.890   26.396 13184.20  1944.62 13184.20  1944.62   0.0000   0.0000  314.890   26.396  ?   ?  0.000000 26.39602 
1 1 1    7    3   24 f   52.646   3.1018  328.941   38.390  325.000   54.228  332.900   54.355   52.185   4.4429   52.826   4.3974 -0.6408920 6.251147 
1 1 1    7    3   25 o   94.966   5.2345  1073.60  116.930  1087.80  165.064  1059.30  165.665   95.208   7.4002   93.917   7.5335 1.290695 10.56012 
1 1 1    7    3   26 o  307.210   16.545 11809.75  1195.81 11199.60  1687.62 12425.00  1694.66  289.019   24.973  306.411   23.603 -17.39172 34.36240 
1 1 1    7    3   27 o   65.261   3.5309  505.732   54.210  456.000   76.423  556.100   76.909   61.728   5.2942   68.285   4.8002 -6.557522 7.146371 
1 1 1    7    3   28 o   53.571   3.1814  340.929   40.065  348.400   56.551  333.400   56.769   53.998   4.4755   52.797   4.5995 1.201279 6.417538 
1 1 1    7    3   29 o   84.730   4.7684  856.216   95.017  892.400  134.160  819.800  134.589   86.107   6.6497   82.429   6.9802 3.678551 9.640618 
1 1 1    7    3   30 o   83.313   4.4138  827.833   86.524  745.500  122.056  911.000  122.672   78.541   6.6435   87.049   6.0046 -8.507729 8.954948 
1 1 1    7    3   31 f   82.807   6.6229  831.000  128.419  831.000  128.419   0.0000   0.0000   82.807   6.6229  ?   ?  0.000000 6.622923 
1 1 1    7    3   32 o   83.148   6.6817  842.300  130.083  842.300  130.083   0.0000   0.0000   83.148   6.6817  ?   ?  0.000000 6.681728 
1 1 1    7    3   33 o   29.869   3.0432  107.100   21.164  107.100   21.164   0.0000   0.0000   29.869   3.0432  ?   ?  0.000000 3.043211 
1 1 1    7    3   34 f   59.802   5.0051  433.900   70.028  433.900   70.028   0.0000   0.0000   59.802   5.0051  ?   ?  0.000000 5.005093 
1 1 1    7    3   35 o   32.299   3.1892  125.600   24.006  125.600   24.006   0.0000   0.0000   32.299   3.1892  ?   ?  0.000000 3.189167 
1 1 1    7    3   36 o   34.158   3.3062  140.700   26.333  140.700   26.333   0.0000   0.0000   34.158   3.3062  ?   ?  0.000000 3.306172 
1 1 1    7    3   37 o   8.3643   2.2349   8.6000   4.4983   8.6000   4.4983   0.0000   0.0000   8.3643   2.2349  ?   ?  0.000000 2.234895 
1 1 1    7    3   38 o   84.211   7.0395  900.500  138.699  900.500  138.699   0.0000   0.0000   84.211   7.0395  ?   ?  0.000000 7.039497 
1 1 1    7    3   39 o   58.091   4.9655  417.100   67.460  417.100   67.460   0.0000   0.0000   58.091   4.9655  ?   ?  0.000000 4.965536 
1 1 1    7    3   40 o   48.699   4.2985  292.200   48.924  292.200   48.924   0.0000   0.0000   48.699   4.2985  ?   ?  0.000000 4.298511 
1 1 1    7    3   41 o   67.995   5.8937  595.000   93.694  595.000   93.694   0.0000   0.0000   67.995   5.8937  ?   ?  0.000000 5.893699 
1 1 1    7    3   42 o   43.850   4.0166  239.500   41.127  239.500   41.127   0.0000   0.0000   43.850   4.0166  ?   ?  0.000000 4.016554 
1 1 1    7    3   43 o   47.771   4.3391  288.400   48.413  288.400   48.413   0.0000   0.0000   47.771   4.3391  ?   ?  0.000000 4.339090 
1 1 1    7    3   44 o   18.256   2.6008   41.100   10.895   41.100   10.895   0.0000   0.0000   18.256   2.6008  ?   ?  0.000000 2.600847 
1 1 1    7    3   45 f   60.374   5.5033  485.600   77.595  485.600   77.595   0.0000   0.0000   60.374   5.5033  ?   ?  0.000000 5.503271 
1 1 1    7    3   46 o   20.497   2.6612   51.900   12.577   51.900   12.577   0.0000   0.0000   20.497   2.6612  ?   ?  0.000000 2.661240 
1 1 1    7    3   47 o   11.892   2.4936   17.800   6.7785   17.800   6.7785   0.0000   0.0000   11.892   2.4936  ?   ?  0.000000 2.493621 
1 1 1    7    3   48 o   42.494   4.0952  235.100   40.584  235.100   40.584   0.0000   0.0000   42.494   4.0952  ?   ?  0.000000 4.095224 
1 1 1    7    3   49 o   11.231   2.5420   16.100   6.5845   16.100   6.5845   0.0000   0.0000   11.231   2.5420  ?   ?  0.000000 2.541990 
1 1 1    7    3   50 o   33.349   3.5294  145.200   27.371  145.200   27.371   0.0000   0.0000   33.349   3.5294  ?   ?  0.000000 3.529409 
1 1 1    7    3   51 o   15.789   2.6485   31.900   9.5250   31.900   9.5250   0.0000   0.0000   15.789   2.6485  ?   ?  0.000000 2.648470 
1 1 1    7    3   52 o   32.305   3.5087  138.500   26.335  138.500   26.335   0.0000   0.0000   32.305   3.5087  ?   ?  0.000000 3.508706 
1 1 1    7    3   53 o   15.860   2.6967   32.700   9.7382   32.700   9.7382   0.0000   0.0000   15.860   2.6967  ?   ?  0.000000 2.696714 
1 1 1    7    3   54 o   23.105   2.9841   71.600   15.901   71.600   15.901   0.0000   0.0000   23.105   2.9841  ?   ?  0.000000 2.984114 
1 1 1    7    3   55 o   24.083   3.1606   81.900   17.540   81.900   17.540   0.0000   0.0000   24.083   3.1606  ?   ?  0.000000 3.160577 
1 1 1    7    3   56 o   6.8051   2.6832   5.0000   6.3505   5.0000   6.3505   0.0000   0.0000   6.8051   2.6832  ?   ?  0.000000 2.683199 
1 1 1    7    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    3 o  127.431   6.5322  1926.33  195.902  1712.30  276.649  2141.60  277.447  119.738   9.8724  134.137   8.8082 -14.39964 13.23063 
1 1 1    7    4    4 o  294.637   22.646 10553.50  1563.53 10553.50  1563.53   0.0000   0.0000  294.637   22.646  ?   ?  0.000000 22.64610 
1 1 1    7    4    5 o  374.501   29.142 17282.60  2556.83 17282.60  2556.83   0.0000   0.0000  374.501   29.142  ?   ?  0.000000 29.14207 
1 1 1    7    4    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4    9 o  229.960   12.440  6306.29  672.980  6554.40  950.236  6056.60  953.245  233.373   17.368  224.082   18.172 9.291168 25.13642 
1 1 1    7    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4   12 o  248.635   13.464  7391.40  787.566  7721.50  1112.44  7059.70  1115.14  252.674   18.779  241.239   19.749 11.43547 27.25184 
1 1 1    7    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4   14 o  290.174   22.438 10333.10  1525.53 10333.10  1525.53   0.0000   0.0000  290.174   22.438  ?   ?  0.000000 22.43826 
1 1 1    7    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4   16 f  199.493   10.677  4759.76  501.138  4775.20  707.371  4744.20  710.068  198.524   15.205  197.837   15.319 0.6871033 21.58386 
1 1 1    7    4   17 o  140.700   7.7097  2358.47  255.174  2461.10  360.303  2255.20  361.440  143.146   10.738  136.869   11.284 6.276474 15.57622 
1 1 1    7    4   18 o  143.085   8.0344  2443.06  270.365  2716.70  381.894  2168.10  382.814  150.284   10.834  133.807   12.252 16.47670 16.35481 
1 1 1    7    4   19 o   78.139   4.3586  724.917   80.102  732.100  113.151  717.700  113.413   78.309   6.1690   77.520   6.2487 0.7895432 8.780809 
1 1 1    7    4   20 o   29.451   2.0701  102.972   14.305   92.300   20.204  113.700   20.257   27.764   3.1367   30.888   2.8079 -3.123781 4.209883 
1 1 1    7    4   21 o   60.681   3.5201  437.040   50.223  444.600   70.841  429.400   71.213   61.049   4.9569   59.974   5.0761 1.074539 7.094859 
1 1 1    7    4   22 o  244.604   13.300  7291.49  765.310  7313.20  1080.15  7269.60  1084.49  241.022   19.136  240.184   19.284 0.8382874 27.16726 
1 1 1    7    4   23 o   59.884   3.4199  425.647   48.160  413.400   67.964  438.000   68.254   58.842   4.9369   60.597   4.8096 -1.754211 6.892387 
1 1 1    7    4   24 o  167.633   8.6980  3372.40  343.121  3177.90  484.010  3568.90  486.491  161.190   12.822  171.183   12.113 -9.993179 17.63921 
1 1 1    7    4   25 o   99.632   5.3964  1182.02  126.486  1158.20  178.559  1206.00  179.198   98.175   7.7657  100.222   7.6293 -2.046822 10.88631 
1 1 1    7    4   26 o  134.913   7.3329  2179.79  232.734  2220.40  328.779  2139.00  329.494  135.226   10.375  132.626   10.610 2.599731 14.83974 
1 1 1    7    4   27 o   71.991   4.0672  616.179   68.859  629.100   97.273  603.200   97.489   72.501   5.7285   70.958   5.8709 1.542091 8.202654 
1 1 1    7    4   28 o   70.567   4.0096  592.345   66.538  611.500   93.988  573.100   94.210   71.452   5.6158   69.120   5.8264 2.332306 8.092220 
1 1 1    7    4   29 o   85.934   4.8636  881.161   98.287  1008.30  138.912  753.700  139.087   91.589   6.4644   78.845   7.5634 12.74454 9.949524 
1 1 1    7    4   30 f  124.664   6.3341  1868.11  185.848  1638.30  262.068  2100.60  263.596  115.335   9.7130  131.276   8.5500 -15.94125 12.94009 
1 1 1    7    4   31 o   91.699   5.2226  1008.84  112.619  1130.40  159.108  886.800  159.428   96.478   7.0324   85.023   8.0361 11.45514 10.67862 
1 1 1    7    4   32 o   25.457   1.6443   76.957   9.8314   40.800   13.784  114.400   14.027   18.251   3.3206   31.034   1.9235 -12.78306 3.837471 
1 1 1    7    4   33 o   60.113   3.4524  431.703   48.800  422.500   68.840  441.000   69.189   59.095   4.9796   60.408   4.8925 -1.313206 6.980919 
1 1 1    7    4   34 o   91.987   5.1373  1024.54  111.145  1021.90  156.835  1027.20  157.532   90.683   7.3884   90.910   7.4026 -0.2274933 10.45877 
1 1 1    7    4   35 o   61.751   3.6308  457.770   52.710  498.700   74.480  416.700   74.607   64.013   4.9661   58.288   5.4851 5.725933 7.399215 
1 1 1    7    4   36 o   79.452   6.5529  786.100  121.845  786.100  121.845   0.0000   0.0000   79.452   6.5529  ?   ?  0.000000 6.552892 
1 1 1    7    4   37 o   82.137   6.8168  848.300  131.021  848.300  131.021   0.0000   0.0000   82.137   6.8168  ?   ?  0.000000 6.816814 
1 1 1    7    4   38 o   55.922   4.7779  383.700   62.487  383.700   62.487   0.0000   0.0000   55.922   4.7779  ?   ?  0.000000 4.777859 
1 1 1    7    4   39 o   33.795   3.2979  138.500   25.982  138.500   25.982   0.0000   0.0000   33.795   3.2979  ?   ?  0.000000 3.297858 
1 1 1    7    4   40 f   26.033   2.8840   82.300   17.431   82.300   17.431   0.0000   0.0000   26.033   2.8840  ?   ?  0.000000 2.884002 
1 1 1    7    4   41 o   46.841   4.2090  272.200   46.058  272.200   46.058   0.0000   0.0000   46.841   4.2090  ?   ?  0.000000 4.209013 
1 1 1    7    4   42 o   63.541   5.6011  524.100   83.182  524.100   83.182   0.0000   0.0000   63.541   5.6011  ?   ?  0.000000 5.601113 
1 1 1    7    4   43 o   4.5465   1.8338   1.1000   3.0341   1.1000   3.0341   0.0000   0.0000   4.5465   1.8338  ?   ?  0.000000 1.833782 
1 1 1    7    4   44 o   40.378   3.8253  204.800   36.038  204.800   36.038   0.0000   0.0000   40.378   3.8253  ?   ?  0.000000 3.825289 
1 1 1    7    4   45 o   60.925   5.5605  495.900   79.114  495.900   79.114   0.0000   0.0000   60.925   5.5605  ?   ?  0.000000 5.560468 
1 1 1    7    4   46 o   11.326   2.4277   16.100   6.2977   16.100   6.2977   0.0000   0.0000   11.326   2.4277  ?   ?  0.000000 2.427654 
1 1 1    7    4   47 o   40.949   3.9204  214.400   37.445  214.400   37.445   0.0000   0.0000   40.949   3.9204  ?   ?  0.000000 3.920358 
1 1 1    7    4   48 o   10.209   2.3998   13.200   5.6878   13.200   5.6878   0.0000   0.0000   10.209   2.3998  ?   ?  0.000000 2.399806 
1 1 1    7    4   49 o   25.436   2.9505   81.700   17.393   81.700   17.393   0.0000   0.0000   25.436   2.9505  ?   ?  0.000000 2.950547 
1 1 1    7    4   50 o   26.501   3.0548   89.900   18.766   89.900   18.766   0.0000   0.0000   26.501   3.0548  ?   ?  0.000000 3.054821 
1 1 1    7    4   51 o   16.170   2.6316   33.400   9.7024   33.400   9.7024   0.0000   0.0000   16.170   2.6316  ?   ?  0.000000 2.631569 
1 1 1    7    4   52 o   11.198   2.6942   16.400   7.0377   16.400   7.0377   0.0000   0.0000   11.198   2.6942  ?   ?  0.000000 2.694196 
1 1 1    7    4   53 o   15.190   2.7028   30.100   9.3392   30.100   9.3392   0.0000   0.0000   15.190   2.7028  ?   ?  0.000000 2.702770 
1 1 1    7    4   54 o   19.354   2.8113   49.900   12.472   49.900   12.472   0.0000   0.0000   19.354   2.8113  ?   ?  0.000000 2.811262 
1 1 1    7    4   55 o   8.6288   2.6649   10.200   5.9762   10.200   5.9762   0.0000   0.0000   8.6288   2.6649  ?   ?  0.000000 2.664856 
1 1 1    7    4   56 o   12.275   3.1494   22.700   9.1734   22.700   9.1734   0.0000   0.0000   12.275   3.1494  ?   ?  0.000000 3.149365 
1 1 1    7    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    4   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    1 f  149.492   7.9833  2654.14  280.793  2683.00  397.158  2625.30  397.044  149.867   11.306  148.217   11.433 1.649506 16.07884 
1 1 1    7    5    2 o  332.378   17.818 13275.15  1393.40 13436.70  1968.13 13112.80  1973.00  331.485   25.335  327.264   25.739 4.220398 36.11594 
1 1 1    7    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5    7 o   89.658   4.9082  952.947  103.519  949.500  146.336  956.400  146.460   89.308   6.9949   89.636   6.9743 -0.3281708 9.877769 
1 1 1    7    5    8 o  287.797   22.033 10049.60  1485.96 10049.60  1485.96   0.0000   0.0000  287.797   22.033  ?   ?  0.000000 22.03274 
1 1 1    7    5    9 o   89.766   4.8707  955.239  102.857  1044.80  145.511  865.800  145.412   93.741   6.6161   85.216   7.2967 8.524895 9.849577 
1 1 1    7    5   10 f  411.597   32.331 21135.70  3117.09 21135.70  3117.09   0.0000   0.0000  411.597   32.331  ?   ?  0.000000 32.33135 
1 1 1    7    5   11 o  169.717   8.9982  3424.63  359.326  3366.10  507.873  3483.30  508.455  167.635   12.930  170.586   12.714 -2.950638 18.13352 
1 1 1    7    5   12 o  397.314   31.318 19758.00  2914.47 19758.00  2914.47   0.0000   0.0000  397.314   31.318  ?   ?  0.000000 31.31832 
1 1 1    7    5   13 o  349.417   27.341 15159.10  2237.90 15159.10  2237.90   0.0000   0.0000  349.417   27.341  ?   ?  0.000000 27.34082 
1 1 1    7    5   14 o  403.661   32.522 20786.70  3073.64 20786.70  3073.64   0.0000   0.0000  403.661   32.522  ?   ?  0.000000 32.52178 
1 1 1    7    5   15 o  147.787   7.8924  2599.13  274.431  2573.00  387.936  2625.30  388.273  146.437   11.306  147.950   11.197 -1.512772 15.91223 
1 1 1    7    5   16 o  275.176   15.176  9157.33  982.331  9784.80  1387.65  8527.00  1390.81  281.467   21.030  261.689   22.733 19.77872 30.96847 
1 1 1    7    5   17 o  383.641   31.779 19338.90  2852.95 19338.90  2852.95   0.0000   0.0000  383.641   31.779  ?   ?  0.000000 31.77855 
1 1 1    7    5   18 o  117.801   6.3943  1651.35  177.204  1672.60  250.284  1630.00  250.926  118.102   9.0433  116.549   9.1920 1.552292 12.89477 
1 1 1    7    5   19 o   99.447   5.4129  1175.66  126.632  1217.10  179.380  1134.50  178.792  100.864   7.5870   97.316   7.8471 3.547508 10.91506 
1 1 1    7    5   20 f  396.993   34.835 21938.90  3232.62 21938.90  3232.62   0.0000   0.0000  396.993   34.835  ?   ?  0.000000 34.83548 
1 1 1    7    5   21 o   33.803   2.2751  135.631   18.054  129.700   25.492  141.600   25.573   32.949   3.3218   34.458   3.1788 -1.508831 4.597703 
1 1 1    7    5   22 o  108.074   5.8809  1391.11  149.518  1393.40  211.017  1388.80  211.886  107.690   8.3638  107.500   8.4142 0.1899872 11.86386 
1 1 1    7    5   23 o   47.862   2.8898  271.848   32.508  271.300   45.876  272.400   46.070   47.689   4.1141   47.785   4.1232 -0.9618378E-01 5.824686 
1 1 1    7    5   24 o  159.881   8.4773  3066.24  318.905  2968.90  450.168  3164.30  451.835  155.961   12.324  161.191   11.956 -5.230637 17.17041 
1 1 1    7    5   25 o  100.812   5.3847  1210.15  127.720  1145.90  180.276  1274.90  180.973   97.614   7.8884  103.085   7.4857 -5.470421 10.87484 
1 1 1    7    5   26 o  194.222   10.031  4561.88  458.491  4196.50  646.888  4930.70  649.931  183.560   15.057  199.831   13.859 -16.27029 20.46407 
1 1 1    7    5   27 o  217.306   12.090  5784.73  617.944  6097.40  872.897  5470.60  874.917  219.338   16.986  206.752   18.103 12.58562 24.82417 
1 1 1    7    5   28 o   11.284   1.6094   15.348   4.1669   16.600   5.8981   14.100   5.8877   11.656   2.2240   10.710   2.3889 0.9464111 3.263942 
1 1 1    7    5   29 o  175.458   9.2056  3744.59  380.073  3466.90  536.297  4024.80  538.721  165.798   13.824  179.519   12.792 -13.72003 18.83473 
1 1 1    7    5   30 o   49.311   3.0206  289.215   35.003  318.200   49.447  260.100   49.557   51.582   4.0932   46.523   4.5700 5.058853 6.135079 
1 1 1    7    5   31 o   14.578   1.6599   25.450   5.6120   24.800   7.9365   26.100   7.9365   14.273   2.4426   14.662   2.3734 -0.3890476 3.405724 
1 1 1    7    5   32 o  120.611   6.6896  1769.38  189.776  1790.00  267.890  1748.60  268.880  119.512   9.5729  117.998   9.7368 1.514198 13.65450 
1 1 1    7    5   33 f   95.155   5.4653  1096.09  122.287  1211.10  172.722  980.500  173.160   99.020   7.4413   88.515   8.3844 10.50475 11.21035 
1 1 1    7    5   34 o   56.852   3.2921  386.491   44.007  373.800   62.092  399.300   62.380   55.519   4.7829   57.438   4.6388 -1.918892 6.662862 
1 1 1    7    5   35 f   34.863   2.3412  144.958   19.163  146.900   27.044  143.000   27.156   34.923   3.3193   34.439   3.3830 0.4837456 4.739441 
1 1 1    7    5   36 o   70.767   4.0436  604.278   67.291  597.100   95.017  611.500   95.311   69.544   5.8401   70.412   5.7835 -0.8682785 8.219250 
1 1 1    7    5   37 f   66.225   3.7645  528.937   58.626  511.200   82.648  546.900   83.174   64.348   5.4918   66.654   5.3290 -2.306129 7.652345 
1 1 1    7    5   38 o   45.422   2.8159  247.306   30.053  248.200   42.368  246.400   42.637   45.158   4.0151   44.978   4.0581 0.1796875 5.708635 
1 1 1    7    5   39 o   60.463   5.1554  453.700   72.904  453.700   72.904   0.0000   0.0000   60.463   5.1554  ?   ?  0.000000 5.155432 
1 1 1    7    5   40 o   28.327   2.9958   97.500   19.735   97.500   19.735   0.0000   0.0000   28.327   2.9958  ?   ?  0.000000 2.995810 
1 1 1    7    5   41 o   62.301   5.4163  494.800   78.889  494.800   78.889   0.0000   0.0000   62.301   5.4163  ?   ?  0.000000 5.416298 
1 1 1    7    5   42 o   16.262   2.4940   32.500   9.2712   32.500   9.2712   0.0000   0.0000   16.262   2.4940  ?   ?  0.000000 2.493961 
1 1 1    7    5   43 o   26.071   2.8997   83.500   17.549   83.500   17.549   0.0000   0.0000   26.071   2.8997  ?   ?  0.000000 2.899740 
1 1 1    7    5   44 o   13.722   2.4688   23.400   7.7054   23.400   7.7054   0.0000   0.0000   13.722   2.4688  ?   ?  0.000000 2.468807 
1 1 1    7    5   45 o   18.794   2.6033   43.600   11.243   43.600   11.243   0.0000   0.0000   18.794   2.6033  ?   ?  0.000000 2.603324 
1 1 1    7    5   46 o   24.535   2.8469   74.500   16.188   74.500   16.188   0.0000   0.0000   24.535   2.8469  ?   ?  0.000000 2.846941 
1 1 1    7    5   47 o   15.911   2.5068   31.500   9.1070   31.500   9.1070   0.0000   0.0000   15.911   2.5068  ?   ?  0.000000 2.506832 
1 1 1    7    5   48 o   39.573   3.8646  202.500   35.652  202.500   35.652   0.0000   0.0000   39.573   3.8646  ?   ?  0.000000 3.864632 
1 1 1    7    5   49 o   19.022   2.6639   45.500   11.637   45.500   11.637   0.0000   0.0000   19.022   2.6639  ?   ?  0.000000 2.663873 
1 1 1    7    5   50 o   13.149   2.5543   22.100   7.6454   22.100   7.6454   0.0000   0.0000   13.149   2.5543  ?   ?  0.000000 2.554318 
1 1 1    7    5   51 o   13.253   2.5238   22.500   7.6095   22.500   7.6095   0.0000   0.0000   13.253   2.5238  ?   ?  0.000000 2.523802 
1 1 1    7    5   52 o   11.860   2.4320   18.100   6.5823   18.100   6.5823   0.0000   0.0000   11.860   2.4320  ?   ?  0.000000 2.431953 
1 1 1    7    5   53 o   9.6287   2.4244   12.100   5.5089   12.100   5.5089   0.0000   0.0000   9.6287   2.4244  ?   ?  0.000000 2.424427 
1 1 1    7    5   54 o   24.430   3.1422   81.500   17.706   81.500   17.706   0.0000   0.0000   24.430   3.1422  ?   ?  0.000000 3.142160 
1 1 1    7    5   55 o   6.4728   2.2203   5.2000   4.0929   5.2000   4.0929   0.0000   0.0000   6.4728   2.2203  ?   ?  0.000000 2.220258 
1 1 1    7    5   56 o   8.7535   2.6629   10.900   5.9949   10.900   5.9949   0.0000   0.0000   8.7535   2.6629  ?   ?  0.000000 2.662864 
1 1 1    7    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    5   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6    0 o   92.505   7.3458  1030.50  158.131  1030.50  158.131  1030.50  158.131   92.505   7.3458   92.505   7.3458 0.000000 0.000000 
1 1 1    7    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6    2 o  129.095   6.5512  1976.45  199.052  1629.80  281.137  2324.90  281.868  116.768   10.302  139.837   8.5776 -23.06870 13.40514 
1 1 1    7    6    3 o  238.805   12.623  6798.67  709.260  7142.10  1003.30  6455.60  1002.79  243.705   17.552  231.395   18.507 12.31044 25.50664 
1 1 1    7    6    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6    5 o  178.780   9.3787  3798.46  394.552  4328.20  558.109  3269.20  557.852  190.419   12.481  165.036   14.460 25.38324 19.10193 
1 1 1    7    6    6 o  195.089   10.346  4527.37  474.908  4497.70  671.271  4557.10  671.971  193.697   14.788  194.996   14.702 -1.299728 20.85242 
1 1 1    7    6    7 o  281.250   15.363  9466.18  1016.44 10400.90  1436.29  8528.40  1438.63  293.230   20.879  264.601   23.261 28.62985 31.25739 
1 1 1    7    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6    9 o  361.848   28.085 16131.80  2380.93 16131.80  2380.93   0.0000   0.0000  361.848   28.085  ?   ?  0.000000 28.08496 
1 1 1    7    6   10 o  389.142   30.451 18815.90  2775.87 18815.90  2775.87   0.0000   0.0000  389.142   30.451  ?   ?  0.000000 30.45127 
1 1 1    7    6   11 o  340.325   26.389 14262.50  2104.11 14262.50  2104.11   0.0000   0.0000  340.325   26.389  ?   ?  0.000000 26.38890 
1 1 1    7    6   12 o  163.147   8.6460  3165.08  331.899  3113.90  468.583  3216.60  470.172  161.214   12.404  163.897   12.237 -2.683563 17.42422 
1 1 1    7    6   13 o  331.185   25.842 13588.80  2004.96 13588.80  2004.96   0.0000   0.0000  331.185   25.842  ?   ?  0.000000 25.84183 
1 1 1    7    6   14 o  159.258   8.7215  3020.71  326.738  3448.10  461.831  2592.40  462.324  169.645   11.598  146.571   13.510 23.07391 17.80552 
1 1 1    7    6   15 o  117.472   6.2635  1639.40  173.119  1569.60  244.645  1709.40  245.010  114.535   9.1212  119.620   8.7343 -5.085136 12.62872 
1 1 1    7    6   16 o  100.539   5.4633  1200.45  129.218  1186.90  182.711  1214.00  182.772   99.663   7.8267  100.815   7.7365 -1.152115 11.00503 
1 1 1    7    6   17 o   93.388   5.1242  1035.81  112.568  1141.90  159.184  929.700  159.207   97.839   6.9350   88.112   7.7300 9.727600 10.38493 
1 1 1    7    6   18 o   70.510   3.9858  590.040   66.091  599.600   93.518  580.500   93.417   70.900   5.6322   69.743   5.7227 1.157143 8.029409 
1 1 1    7    6   19 o  118.964   6.5630  1685.81  183.654  1794.50  259.414  1576.60  260.038  122.277   9.0486  114.424   9.7159 7.852921 13.27688 
1 1 1    7    6   20 o  157.898   8.5023  2983.53  315.844  2992.30  445.795  2974.70  447.553  157.060   12.114  156.566   12.202 0.4944763 17.19380 
1 1 1    7    6   21 o  237.066   12.868  6830.11  717.660  6863.60  1013.29  6796.40  1016.57  234.169   18.475  232.895   18.641 1.273346 26.24524 
1 1 1    7    6   22 o  166.485   9.0094  3326.88  352.868  3363.20  498.157  3290.30  499.910  166.028   12.805  164.127   13.005 1.900955 18.25144 
1 1 1    7    6   23 o  218.925   12.161  5824.45  626.217  6265.20  884.650  5381.80  886.563  224.224   16.831  206.711   18.354 17.51231 24.90261 
1 1 1    7    6   24 o  121.842   6.6179  1772.10  189.691  1788.60  267.880  1755.50  268.648  121.745   9.3907  120.573   9.5129 1.172043 13.36712 
1 1 1    7    6   25 f  122.410   6.6983  1790.25  192.884  1845.10  272.401  1735.10  273.160  123.580   9.4052  119.718   9.7473 3.862404 13.54504 
1 1 1    7    6   26 o   38.002   2.4556  171.440   21.918  169.300   30.923  173.600   31.071   37.653   3.5187   38.136   3.4889 -0.4829025 4.955194 
1 1 1    7    6   27 o   60.434   3.3628  433.745   47.800  401.500   67.387  466.400   67.813   57.929   4.9745   62.518   4.6264 -4.589291 6.793302 
1 1 1    7    6   28 o  124.840   6.8092  1869.51  199.971  1886.30  282.326  1852.60  283.280  124.412   9.6864  123.238   9.8158 1.174393 13.79046 
1 1 1    7    6   29 o  109.174   5.9608  1428.33  153.089  1423.80  216.108  1432.90  216.894  108.173   8.5296  108.519   8.5329 -0.3457870 12.06499 
1 1 1    7    6   30 o   66.815   3.6477  531.555   57.334  487.600   80.859  576.000   81.309   63.650   5.4318   69.312   5.0014 -5.661312 7.383667 
1 1 1    7    6   31 o   79.066   4.4295  747.841   82.368  774.900  116.507  720.800  116.466   79.992   6.2168   77.055   6.4604 2.937103 8.965794 
1 1 1    7    6   32 o   40.309   2.5493  193.387   24.141  190.000   34.073  196.800   34.207   39.782   3.6685   40.503   3.6146 -0.7211494 5.150064 
1 1 1    7    6   33 o   60.100   3.4992  431.865   49.445  435.700   69.793  428.000   70.059   59.991   4.9716   59.435   5.0392 0.5556679 7.078932 
1 1 1    7    6   34 o   44.601   2.8229  237.484   29.577  271.700   41.778  203.100   41.880   47.527   3.7531   40.893   4.4066 6.633198 5.788298 
1 1 1    7    6   35 f   13.141   1.6672   20.773   5.0571   28.400   7.1410   13.100   7.1629   15.346   2.0196   10.332   2.8455 5.014525 3.489373 
1 1 1    7    6   36 f   36.312   2.4332  157.452   20.743  179.100   29.300  135.700   29.370   38.577   3.2466   33.417   3.7889 5.160000 4.989580 
1 1 1    7    6   37 o   33.770   2.3527  136.276   18.644  149.100   26.290  123.300   26.445   35.160   3.2015   31.858   3.5771 3.301617 4.800548 
1 1 1    7    6   38 f   98.401   5.7639  1203.19  133.346  1333.40  188.368  1072.40  188.792  101.407   7.9296   89.720   9.0340 11.68649 12.02042 
1 1 1    7    6   39 f   40.969   2.5730  201.184   24.766  191.600   34.905  210.900   35.145   39.637   3.7749   41.657   3.6085 -2.019650 5.222136 
1 1 1    7    6   40 o   53.592   3.2633  347.930   41.100  382.900   58.058  312.800   58.191   55.635   4.4567   49.958   4.9998 5.676674 6.697824 
1 1 1    7    6   41 o   41.116   2.6941  204.153   26.013  225.900   36.701  182.200   36.875   42.867   3.6608   38.250   4.1492 4.617245 5.533255 
1 1 1    7    6   42 o   43.249   3.9802  233.200   40.192  233.200   40.192   0.0000   0.0000   43.249   3.9802  ?   ?  0.000000 3.980188 
1 1 1    7    6   43 o   10.990   2.4152   15.100   6.0965   15.100   6.0965   0.0000   0.0000   10.990   2.4152  ?   ?  0.000000 2.415184 
1 1 1    7    6   44 o   28.823   3.0804  102.700   20.641  102.700   20.641   0.0000   0.0000   28.823   3.0804  ?   ?  0.000000 3.080357 
1 1 1    7    6   45 o   16.079   2.5029   32.000   9.1942   32.000   9.1942   0.0000   0.0000   16.079   2.5029  ?   ?  0.000000 2.502898 
1 1 1    7    6   46 o   17.438   2.5905   37.700   10.343   37.700   10.343   0.0000   0.0000   17.438   2.5905  ?   ?  0.000000 2.590456 
1 1 1    7    6   47 o   12.331   2.4459   19.100   6.8707   19.100   6.8707   0.0000   0.0000   12.331   2.4459  ?   ?  0.000000 2.445896 
1 1 1    7    6   48 o   38.302   3.7710  189.300   33.665  189.300   33.665   0.0000   0.0000   38.302   3.7710  ?   ?  0.000000 3.771023 
1 1 1    7    6   49 o   16.410   2.5601   33.900   9.5965   33.900   9.5965   0.0000   0.0000   16.410   2.5601  ?   ?  0.000000 2.560116 
1 1 1    7    6   50 o   26.268   3.0159   88.300   18.367   88.300   18.367   0.0000   0.0000   26.268   3.0159  ?   ?  0.000000 3.015874 
1 1 1    7    6   51 o   4.4609   1.8419   0.8000   3.1488   0.8000   3.1488   0.0000   0.0000   4.4609   1.8419  ?   ?  0.000000 1.841942 
1 1 1    7    6   52 o   13.393   2.5289   23.100   7.7050   23.100   7.7050   0.0000   0.0000   13.393   2.5289  ?   ?  0.000000 2.528937 
1 1 1    7    6   53 o   13.119   2.5886   22.500   7.7342   22.500   7.7342   0.0000   0.0000   13.119   2.5886  ?   ?  0.000000 2.588583 
1 1 1    7    6   54 o   12.533   2.5203   20.900   7.2003   20.900   7.2003   0.0000   0.0000   12.533   2.5203  ?   ?  0.000000 2.520334 
1 1 1    7    6   55 o   20.968   3.0091   62.100   14.472   62.100   14.472   0.0000   0.0000   20.968   3.0091  ?   ?  0.000000 3.009101 
1 1 1    7    6   56 o   11.676   3.0715   20.500   8.5826   20.500   8.5826   0.0000   0.0000   11.676   3.0715  ?   ?  0.000000 3.071531 
1 1 1    7    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    6   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    7    0 o   28.563   3.0509   99.600   19.986   99.600   19.986   99.600   19.986   28.563   3.0509   28.563   3.0509 0.000000 0.000000 
1 1 1    7    7    1 o  122.947   6.2722  1792.41  181.490  2070.90  256.987  1515.30  256.347  131.984   8.2878  112.642   9.7332 19.34209 12.78367 
1 1 1    7    7    2 o  332.610   17.532 13270.69  1372.13 14438.20  1941.99 12106.80  1938.98  344.648   24.012  314.526   26.350 30.12207 35.64949 
1 1 1    7    7    3 o  297.195   15.734 10568.72  1100.27 11172.30  1557.09  9966.80  1554.95  303.748   21.855  286.351   23.195 17.39716 31.86955 
1 1 1    7    7    4 o  323.880   24.959 12790.90  1894.18   0.0000   0.0000 12790.90  1894.18  ?   ?   323.880   24.959 0.000000 24.95947 
1 1 1    7    7    5 o  275.258   14.465  9052.71  936.884  9797.60  1325.44  8308.90  1324.47  284.946   19.822  261.748   21.622 23.19772 29.33318 
1 1 1    7    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    7    7 o  258.707   13.654  7992.26  831.149  8455.10  1175.80  7530.00  1175.05  264.766   18.931  249.441   20.120 15.32521 27.62660 
1 1 1    7    7    8 o  259.828   13.854  8066.34  846.915  8285.50  1197.34  7846.90  1198.09  261.846   19.505  254.603   20.091 7.242477 28.00159 
1 1 1    7    7    9 o  233.863   12.443  6525.31  684.696  6589.50  967.885  6461.00  968.728  233.793   17.662  231.434   17.864 2.359573 25.12149 
1 1 1    7    7   10 o  370.456   28.919 17006.00  2509.74 17006.00  2509.74   0.0000   0.0000  370.456   28.919  ?   ?  0.000000 28.91916 
1 1 1    7    7   11 o  133.696   7.1644  2122.55  225.360  2313.80  318.704  1931.30  318.711  139.281   9.7518  127.041   10.724 12.23972 14.49508 
1 1 1    7    7   12 o   84.223   4.7438  841.354   93.962  947.700  132.786  734.700  132.978   89.257   6.3414   78.423   7.2633 10.83389 9.642045 
1 1 1    7    7   13 o  125.944   6.9132  1884.74  204.812  1978.60  289.195  1790.30  290.103  128.684   9.5858  122.282   10.138 6.401817 13.95246 
1 1 1    7    7   14 o  284.830   15.605  9794.56  1045.57 10328.60  1476.93  9258.00  1480.40  289.557   21.760  273.311   23.156 16.24619 31.77544 
1 1 1    7    7   15 o  158.494   8.4039  2993.23  313.400  2894.10  442.940  3092.60  443.491  155.055   12.196  160.413   11.791 -5.358093 16.96345 
1 1 1    7    7   16 o  428.868   36.490 24823.80  3660.30 24823.80  3660.30   0.0000   0.0000  428.868   36.490  ?   ?  0.000000 36.49030 
1 1 1    7    7   17 o  297.777   16.073 10816.14  1125.97 10713.30  1589.58 10919.70  1595.16  291.297   23.304  294.231   23.146 -2.934265 32.84542 
1 1 1    7    7   18 o  179.861   9.6449  3876.57  408.142  4127.80  577.182  3625.30  577.219  184.398   13.346  172.393   14.309 12.00465 19.56651 
1 1 1    7    7   19 o  198.414   10.671  4735.34  498.149  4981.30  704.426  4489.30  704.553  201.789   14.889  191.114   15.752 10.67448 21.67504 
1 1 1    7    7   20 o  168.880   8.7167  3415.35  346.425  3825.90  490.246  3005.90  489.594  177.776   11.744  156.911   13.340 20.86557 17.77333 
1 1 1    7    7   21 o   51.365   2.9621  312.994   35.775  292.600   50.402  333.700   50.787   49.516   4.3550   52.934   4.0950 -3.417877 5.977845 
1 1 1    7    7   22 o  172.200   9.4317  3564.88  382.058  3705.60  539.396  3423.20  541.233  174.097   13.219  167.017   13.848 7.080063 19.14485 
1 1 1    7    7   23 o  139.460   7.4544  2325.72  244.596  2279.90  345.219  2371.90  346.606  137.147   10.746  139.962   10.565 -2.815125 15.06956 
1 1 1    7    7   24 o  241.282   13.203  7119.32  749.414  7186.20  1058.09  7052.00  1061.58  238.123   18.975  235.649   19.246 2.473282 27.02669 
1 1 1    7    7   25 o   56.538   3.2374  379.456   43.041  361.100   60.715  398.000   61.026   54.977   4.7227   57.766   4.5096 -2.788670 6.529935 
1 1 1    7    7   26 o  250.369   13.915  7738.92  819.438  7943.20  1157.25  7533.50  1160.48  248.111   19.920  240.898   20.599 7.213821 28.65520 
1 1 1    7    7   27 o   71.955   3.9168  615.485   66.301  575.300   93.458  656.200   94.072   69.279   5.7653   74.082   5.4151 -4.803009 7.909582 
1 1 1    7    7   28 o  184.512   10.150  4153.19  440.523  4248.30  622.229  4057.60  623.761  183.632   14.467  179.119   14.882 4.513718 20.75488 
1 1 1    7    7   29 o  134.622   7.0750  2183.81  224.119  2041.40  316.086  2327.80  317.826  128.596   10.501  137.728   9.8372 -9.132538 14.38880 
1 1 1    7    7   30 o   38.441   2.4811  175.658   22.401  178.600   31.637  172.700   31.723   38.634   3.5061   37.974   3.5800 0.6597252 5.010887 
1 1 1    7    7   31 f  106.368   5.9024  1364.84  147.669  1432.50  208.701  1297.00  208.971  107.906   8.2532  102.406   8.7249 5.500305 12.00994 
1 1 1    7    7   32 o   77.014   4.2912  710.900   77.728  692.900  109.623  729.100  110.228   75.418   6.2108   77.424   6.0780 -2.006416 8.689953 
1 1 1    7    7   33 o   35.947   2.3607  153.883   19.927  150.900   28.100  156.900   28.262   35.432   3.4003   36.145   3.3494 -0.7132607 4.772871 
1 1 1    7    7   34 o   31.078   2.1709  115.091   15.832  113.000   22.340  117.200   22.439   30.640   3.1317   31.219   3.0841 -0.5786018 4.395380 
1 1 1    7    7   35 f   86.653   4.9637  912.593  101.144  954.400  142.797  870.500  143.283   87.430   6.9747   83.217   7.3677 4.212875 10.14545 
1 1 1    7    7   36 o  136.111   7.8488  2355.35  251.195  2375.30  354.341  2335.20  356.154  131.441   11.533  130.018   11.727 1.423904 16.44753 
1 1 1    7    7   37 o  108.340   6.2508  1462.50  159.234  1675.00  225.087  1249.60  225.296  113.562   8.4543   96.235   10.063 17.32680 13.14310 
1 1 1    7    7   38 f   29.395   2.1360  103.262   14.725  107.600   20.796   98.900   20.852   29.841   2.9915   28.562   3.1437 1.279049 4.339611 
1 1 1    7    7   39 o   25.735   1.9926   79.207   12.014   84.700   16.980   73.700   17.002   26.469   2.7571   24.619   2.9857 1.849787 4.063997 
1 1 1    7    7   40 o   16.612   1.7146   33.135   6.6293   40.000   9.3858   26.300   9.3646   18.175   2.2340   14.560   2.8256 3.614739 3.602039 
1 1 1    7    7   41 o   41.735   2.7332  210.606   26.787  236.700   37.806  184.300   37.959   43.846   3.6857   38.386   4.2596 5.459362 5.632767 
1 1 1    7    7   42 o   5.9111   1.6406   4.2828   2.3709   5.5000   3.3772   3.1000   3.3292   6.7316   1.9875   5.5455   1.9942 1.186114 2.815475 
1 1 1    7    7   43 o   55.709   5.0149  401.700   65.264  401.700   65.264   0.0000   0.0000   55.709   5.0149  ?   ?  0.000000 5.014899 
1 1 1    7    7   44 o   13.513   2.4526   22.700   7.5376   22.700   7.5376   0.0000   0.0000   13.513   2.4526  ?   ?  0.000000 2.452614 
1 1 1    7    7   45 o   20.920   2.6794   54.000   12.932   54.000   12.932   0.0000   0.0000   20.920   2.6794  ?   ?  0.000000 2.679395 
1 1 1    7    7   46 o   19.382   2.6473   46.500   11.800   46.500   11.800   0.0000   0.0000   19.382   2.6473  ?   ?  0.000000 2.647339 
1 1 1    7    7   47 o   14.914   2.5171   27.800   8.5490   27.800   8.5490   0.0000   0.0000   14.914   2.5171  ?   ?  0.000000 2.517115 
1 1 1    7    7   48 o   12.685   2.4501   20.300   7.0733   20.300   7.0733   0.0000   0.0000   12.685   2.4501  ?   ?  0.000000 2.450145 
1 1 1    7    7   49 f   18.304   2.6279   42.200   11.033   42.200   11.033   0.0000   0.0000   18.304   2.6279  ?   ?  0.000000 2.627895 
1 1 1    7    7   50 o   17.932   2.6760   40.900   10.984   40.900   10.984   0.0000   0.0000   17.932   2.6760  ?   ?  0.000000 2.675982 
1 1 1    7    7   51 o   23.266   2.8717   69.300   15.442   69.300   15.442   0.0000   0.0000   23.266   2.8717  ?   ?  0.000000 2.871674 
1 1 1    7    7   52 o   29.589   3.2774  115.200   22.515  115.200   22.515   0.0000   0.0000   29.589   3.2774  ?   ?  0.000000 3.277409 
1 1 1    7    7   53 o   10.805   2.4718   15.300   6.1698   15.300   6.1698   0.0000   0.0000   10.805   2.4718  ?   ?  0.000000 2.471826 
1 1 1    7    7   54 o   6.2148   2.1453   4.6000   3.8243   4.6000   3.8243   0.0000   0.0000   6.2148   2.1453  ?   ?  0.000000 2.145339 
1 1 1    7    7   55 o   8.1620   2.4802   9.1000   5.2028   9.1000   5.2028   0.0000   0.0000   8.1620   2.4802  ?   ?  0.000000 2.480210 
1 1 1    7    7   56 o   6.1258   2.4546   3.6000   5.3975   3.6000   5.3975   0.0000   0.0000   6.1258   2.4546  ?   ?  0.000000 2.454616 
1 1 1    7    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    8    0 o   35.739   3.4431  155.000   28.438  155.000   28.438  155.000   28.438   35.739   3.4431   35.739   3.4431 0.000000 0.000000 
1 1 1    7    8    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    8    2 o   92.747   5.0870  1019.83  110.984  979.800  157.010  1059.80  156.900   90.689   7.3963   94.374   7.0925 -3.685249 10.24734 
1 1 1    7    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    8    4 o  353.923   27.353 15366.40  2268.22 15366.40  2268.22   0.0000   0.0000  353.923   27.353  ?   ?  0.000000 27.35256 
1 1 1    7    8    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    8    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    8    7 o  338.340   17.885 13759.46  1423.82 12661.30  2011.86 14861.40  2015.32  320.994   26.787  348.957   24.615 -27.96301 36.37930 
1 1 1    7    8    8 o  260.135   13.538  8083.90  828.760  7020.00  1171.46  9149.90  1172.62  240.406   20.842  275.570   18.122 -35.16374 27.61848 
1 1 1    7    8    9 o  151.437   8.0191  2724.31  285.740  2521.00  403.961  2927.90  404.233  145.112   11.893  156.602   11.001 -11.48975 16.20120 
1 1 1    7    8   10 o  370.679   29.005 17067.90  2518.59 17067.90  2518.59   0.0000   0.0000  370.679   29.005  ?   ?  0.000000 29.00505 
1 1 1    7    8   11 o  132.717   7.1260  2091.97  222.506  2129.80  314.589  2054.10  314.753  133.530   10.051  131.092   10.250 2.438263 14.35516 
1 1 1    7    8   12 o   83.290   4.6445  822.822   90.984  935.100  128.630  710.400  128.712   88.665   6.1823   77.107   7.1504 11.55787 9.452485 
1 1 1    7    8   13 o  100.604   5.3446  1200.97  126.511  1144.00  178.477  1258.50  179.352   97.900   7.7846  102.758   7.4418 -4.857254 10.76946 
1 1 1    7    8   14 o  227.769   12.444  6225.27  666.784  6599.30  941.945  5849.60  944.007  232.840   17.255  218.668   18.455 14.17189 25.26459 
1 1 1    7    8   15 o  320.548   17.399 12524.04  1312.02 12818.90  1854.89 12228.80  1856.06  319.247   24.800  311.256   25.476 7.991577 35.55378 
1 1 1    7    8   16 o  195.633   10.408  4585.45  479.098  4322.50  677.354  4848.70  677.740  188.311   15.367  199.861   14.458 -11.54971 21.09921 
1 1 1    7    8   17 o   64.512   3.5296  493.601   53.564  554.400   75.876  433.200   75.627   68.267   4.7362   60.228   5.3741 8.038502 7.163229 
1 1 1    7    8   18 o   53.743   3.1350  342.630   39.613  358.300   56.057  327.000   55.985   54.845   4.3646   52.355   4.5744 2.490231 6.322504 
1 1 1    7    8   19 o  141.568   7.6313  2392.99  254.167  2445.40  359.325  2340.50  359.569  142.339   10.770  139.161   11.033 3.178192 15.41810 
1 1 1    7    8   20 o  190.436   10.218  4364.01  457.810  4579.90  647.495  4148.20  647.387  193.397   14.279  183.641   15.062 9.756424 20.75456 
1 1 1    7    8   21 o  164.911   8.8751  3262.17  344.339  3310.70  486.865  3213.60  487.072  164.839   12.603  162.307   12.813 2.531799 17.97253 
1 1 1    7    8   22 o  128.184   6.8643  1961.39  207.019  2034.00  292.888  1888.90  292.651  129.870   9.6190  125.021   9.9966 4.849052 13.87292 
1 1 1    7    8   23 o  177.867   9.5352  3807.40  399.026  3899.60  564.476  3715.30  564.140  178.341   13.504  173.884   13.854 4.456406 19.34685 
1 1 1    7    8   24 o   55.737   3.2810  368.823   42.992  355.900   60.855  381.700   60.745   54.578   4.7698   56.560   4.5878 -1.981785 6.618047 
1 1 1    7    8   25 o   93.802   5.1706  1047.88  114.087  991.800  161.388  1103.90  161.299   90.792   7.5975   95.911   7.1739 -5.119713 10.44928 
1 1 1    7    8   26 o   55.648   3.1902  367.670   41.746  348.300   58.842  387.300   59.236   53.981   4.6619   56.975   4.4379 -2.993774 6.436504 
1 1 1    7    8   27 o  127.859   7.0258  1960.95  211.312  2052.40  298.514  1869.10  299.168  129.868   9.8065  123.695   10.337 6.172829 14.24865 
1 1 1    7    8   28 o  122.547   6.7138  1803.15  193.543  1829.20  273.199  1776.90  274.226  122.413   9.5263  120.562   9.7149 1.850761 13.60619 
1 1 1    7    8   29 o   17.033   1.7184   34.641   6.8172   36.800   9.6611   32.500   9.6209   17.472   2.4054   16.374   2.5731 1.098335 3.522332 
1 1 1    7    8   30 o   31.403   2.1995  117.266   16.207  123.800   22.894  110.700   22.948   32.170   3.0502   30.375   3.2498 1.794210 4.457000 
1 1 1    7    8   31 o   88.805   4.9619  947.048  103.635  965.600  146.373  928.400  146.753   88.932   7.0274   87.121   7.1979 1.810265 10.05954 
1 1 1    7    8   32 o   57.215   3.2921  390.664   44.290  374.900   62.467  406.600   62.806   55.711   4.7951   58.080   4.6175 -2.369446 6.656933 
1 1 1    7    8   33 o   26.149   2.0127   81.475   12.332   85.500   17.387   77.400   17.494   26.681   2.8015   25.341   2.9805 1.339563 4.090435 
1 1 1    7    8   34 o   44.785   2.7973  239.538   29.434  256.500   41.579  222.500   41.673   46.121   3.8531   42.854   4.1710 3.266842 5.678335 
1 1 1    7    8   35 o   72.073   4.1569  626.879   70.446  647.600   99.437  606.000   99.816   72.499   5.8585   69.995   6.1000 2.503525 8.457669 
1 1 1    7    8   36 o   25.245   1.9735   76.062   11.671   80.200   16.481   71.900   16.530   25.802   2.7472   24.380   2.9300 1.422009 4.016484 
1 1 1    7    8   37 o   70.659   4.1597  605.320   69.098  703.900   97.635  506.400   97.804   75.485   5.5157   63.331   6.6387 12.15394 8.631056 
1 1 1    7    8   38 o   42.755   2.7226  219.200   27.344  244.500   38.632  193.800   38.708   44.890   3.6768   39.768   4.1848 5.121845 5.570605 
1 1 1    7    8   39 o   87.574   5.2044  953.904  107.140  1099.20  151.361  808.000  151.678   92.176   7.0064   77.492   8.4248 14.68453 10.95751 
1 1 1    7    8   40 o   63.129   3.8050  487.651   56.457  537.900   79.723  437.100   79.962   65.334   5.2109   58.359   5.8827 6.974823 7.858715 
1 1 1    7    8   41 o   40.344   2.6203  196.633   24.828  226.400   35.092  166.800   35.131   42.937   3.4914   36.519   4.1475 6.418011 5.421365 
1 1 1    7    8   42 o   22.284   1.9014   59.725   9.9095   62.800   13.959   56.600   14.070   22.663   2.6588   21.445   2.8490 1.218275 3.896917 
1 1 1    7    8   43 o   4.8601   1.6629   2.5831   2.2958   5.1000   3.1682  -0.2000   3.3315   6.4849   1.9276   4.2764   1.8362 2.208498 2.662193 
1 1 1    7    8   44 o   41.212   2.7604  207.368   26.708  246.400   37.691  168.000   37.852   44.426   3.6244   36.074   4.5445 8.352539 5.812788 
1 1 1    7    8   45 o   32.547   2.3138  128.466   17.667  155.600   24.955  101.200   25.016   35.527   3.0028   28.203   3.8574 7.324608 4.888392 
1 1 1    7    8   46 o   29.412   3.1310  107.700   21.411  107.700   21.411   0.0000   0.0000   29.412   3.1310  ?   ?  0.000000 3.130991 
1 1 1    7    8   47 o   16.505   2.5649   34.000   9.6719   34.000   9.6719   0.0000   0.0000   16.505   2.5649  ?   ?  0.000000 2.564862 
1 1 1    7    8   48 o   7.9434   2.2395   7.9000   4.3817   7.9000   4.3817   0.0000   0.0000   7.9434   2.2395  ?   ?  0.000000 2.239472 
1 1 1    7    8   49 o   8.8672   2.3213  10.0000   4.9174  10.0000   4.9174   0.0000   0.0000   8.8672   2.3213  ?   ?  0.000000 2.321283 
1 1 1    7    8   50 o   20.509   2.7440   53.500   12.956   53.500   12.956   0.0000   0.0000   20.509   2.7440  ?   ?  0.000000 2.744021 
1 1 1    7    8   51 o   24.375   2.9414   76.300   16.588   76.300   16.588   0.0000   0.0000   24.375   2.9414  ?   ?  0.000000 2.941421 
1 1 1    7    8   52 o   3.7310   1.5866   0.1000   2.4440   0.1000   2.4440   0.0000   0.0000   3.7310   1.5866  ?   ?  0.000000 1.586560 
1 1 1    7    8   53 f   9.1246   2.3903   10.900   5.2119   10.900   5.2119   0.0000   0.0000   9.1246   2.3903  ?   ?  0.000000 2.390314 
1 1 1    7    8   54 o   20.778   2.9241   58.900   13.950   58.900   13.950   0.0000   0.0000   20.778   2.9241  ?   ?  0.000000 2.924142 
1 1 1    7    8   55 o   14.115   2.7095   27.800   8.7028   27.800   8.7028   0.0000   0.0000   14.115   2.7095  ?   ?  0.000000 2.709511 
1 1 1    7    8   56 o   7.8568   2.4810   8.6000   5.1490   8.6000   5.1490   0.0000   0.0000   7.8568   2.4810  ?   ?  0.000000 2.481046 
1 1 1    7    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7    9    0 o  360.662   28.033 15898.40  2354.29 15898.40  2354.29 15898.40  2354.29  360.662   28.033  360.662   28.033 0.000000 0.000000 
1 1 1    7    9    1 o  176.787   9.1275  3713.68  379.737  3241.90  536.563  4187.10  537.495  164.409   13.953  187.298   12.220 -22.88847 18.54719 
1 1 1    7    9    2 o  195.498   10.375  4547.10  477.225  4372.00  674.803  4722.30  674.993  190.869   15.095  198.533   14.498 -7.663544 20.92999 
1 1 1    7    9    3 o  290.318   15.315 10085.26  1046.23  9498.20  1479.04 10673.20  1480.15  279.531   22.601  296.894   21.253 -17.36337 31.02390 
1 1 1    7    9    4 o  244.060   12.935  7106.87  742.818  7261.40  1050.79  6952.50  1050.22  245.454   18.260  240.035   18.676 5.419006 26.11918 
1 1 1    7    9    5 o   62.633   3.2752  464.665   48.271  575.700   68.431  354.700   68.100   69.675   4.1786   54.512   5.3598 15.16290 6.796162 
1 1 1    7    9    6 o  204.245   10.312  4963.18  495.742  4106.00  700.405  5823.70  701.768  184.624   16.231  220.710   13.530 -36.08595 21.13061 
1 1 1    7    9    7 o  325.817   17.362 12758.07  1330.94 12984.00  1882.57 12532.30  1881.90  325.831   24.650  319.871   25.117 5.959564 35.19224 
1 1 1    7    9    8 o  199.589   10.386  4742.55  487.809  5234.20  690.288  4252.10  689.444  209.010   14.068  187.936   15.679 21.07370 21.06497 
1 1 1    7    9    9 o  363.678   19.300 15980.05  1651.52 15507.80  2332.03 16455.20  2339.18  353.759   28.150  364.940   27.343 -11.18094 39.24341 
1 1 1    7    9   10 o  267.173   13.990  8549.08  879.551  7722.60  1243.26  9377.20  1244.49  251.597   21.122  278.200   19.059 -26.60300 28.44950 
1 1 1    7    9   11 o   75.698   4.2445  679.485   75.564  755.100  106.838  603.800  106.888   79.681   5.7162   71.126   6.4338 8.555511 8.606301 
1 1 1    7    9   12 o  249.900   13.892  7502.38  816.518  8438.80  1153.64  6562.40  1155.83  263.305   18.676  230.910   21.442 32.39468 28.43516 
1 1 1    7    9   13 o   12.525   1.6521   18.850   4.7672   18.900   6.7544   18.800   6.7294   12.441   2.3860   12.407   2.3835 0.3348064E-01 3.372550 
1 1 1    7    9   14 o  222.049   12.077  5917.60  630.867  6155.90  890.963  5678.00  893.403  224.766   16.911  215.492   17.714 9.273590 24.48993 
1 1 1    7    9   15 o  187.198   10.013  4192.90  441.016  4208.80  623.646  4177.00  623.736  186.292   14.286  185.561   14.346 0.7302704 20.24591 
1 1 1    7    9   16 o  130.060   6.3931  2006.89  196.344  2302.20  278.750  1716.10  276.607  138.782   8.5475  119.473   9.8936 19.30855 13.07453 
1 1 1    7    9   17 o  106.034   5.5542  1336.40  138.584  1582.20  196.108  1091.20  195.867  115.145   7.2496   95.262   8.8069 19.88259 11.40689 
1 1 1    7    9   18 o  193.775   10.310  4511.02  470.039  5019.10  664.855  4003.30  664.617  203.006   13.954  180.430   15.757 22.57558 21.04769 
1 1 1    7    9   19 o  235.682   12.691  6736.18  703.700  7376.40  995.234  6096.10  995.129  243.887   17.395  220.380   19.318 23.50786 25.99541 
1 1 1    7    9   20 o  182.728   9.7984  4014.06  421.247  3971.20  595.445  4057.00  596.022  180.032   14.120  182.046   13.972 -2.013672 19.86379 
1 1 1    7    9   21 o   87.256   4.8049  905.154   98.620  910.300  139.422  900.000  139.516   87.201   6.8253   86.696   6.8713 0.5054245 9.685013 
1 1 1    7    9   22 o  169.261   9.0773  3441.36  361.487  3503.40  511.377  3379.40  511.062  169.337   12.885  166.191   13.130 3.145645 18.39629 
1 1 1    7    9   23 o   44.466   2.7434  234.660   28.666  198.600   40.545  270.700   40.533   40.722   4.2805   47.688   3.6267 -6.965618 5.610301 
1 1 1    7    9   24 o  207.119   11.100  5202.92  540.904  5492.10  765.189  4914.10  764.720  210.196   15.526  198.139   16.494 12.05743 22.65232 
1 1 1    7    9   25 o   57.142   3.2588  387.655   43.790  414.200   61.982  361.200   61.876   58.933   4.4877   54.966   4.8158 3.967197 6.582660 
1 1 1    7    9   26 o   51.442   2.9561  314.128   35.757  343.300   50.631  285.100   50.506   53.668   4.0245   48.826   4.4288 4.842133 5.984217 
1 1 1    7    9   27 o  112.883   6.1763  1524.80  164.010  1429.20  231.999  1620.30  231.890  108.413   9.1479  115.684   8.5494 -7.270958 12.52100 
1 1 1    7    9   28 o  149.187   8.1306  2692.63  285.349  2581.00  403.605  2804.20  403.484  144.052   11.974  150.514   11.438 -6.461990 16.55890 
1 1 1    7    9   29 o   70.654   4.0210  595.129   66.810  562.800   94.526  627.400   94.440   68.315   5.9181   72.236   5.5798 -3.921318 8.133812 
1 1 1    7    9   30 o   32.770   2.2812  127.727   17.542  121.100   24.859  134.300   24.757   31.762   3.3658   33.496   3.1676 -1.734058 4.621898 
1 1 1    7    9   31 o   34.560   2.3390  142.128   18.975  148.200   26.773  136.000   26.898   35.168   3.2611   33.648   3.4334 1.519722 4.735241 
1 1 1    7    9   32 o   66.275   3.7798  525.671   58.909  519.600   83.110  531.800   83.511   65.427   5.4284   66.208   5.3883 -0.7815170 7.648671 
1 1 1    7    9   33 o   42.366   2.6218  213.977   26.100  203.700   36.781  224.400   37.042   41.105   3.8336   43.197   3.6661 -2.091187 5.304370 
1 1 1    7    9   34 o   49.139   3.0254  288.783   34.934  308.700   49.302  268.700   49.506   50.528   4.1693   47.021   4.5142 3.507313 6.145014 
1 1 1    7    9   35 o   71.931   4.0944  624.277   69.258  619.600   97.703  629.000   98.191   70.858   5.8927   71.405   5.8755 -0.5473480 8.321426 
1 1 1    7    9   36 o   23.902   1.9155   68.196   10.721   76.700   15.165   59.700   15.158   25.254   2.5792   22.174   2.9695 3.080740 3.933264 
1 1 1    7    9   37 o   60.807   3.6324  446.107   51.917  468.700   73.171  423.200   73.677   61.722   5.0650   58.471   5.3970 3.250847 7.401493 
1 1 1    7    9   38 o   42.871   2.7530  220.542   27.723  245.900   39.135  195.000   39.277   44.991   3.7169   39.858   4.2381 5.133560 5.637146 
1 1 1    7    9   39 o   17.701   1.7778   37.592   7.3305   43.300   10.329   31.800   10.405   18.904   2.3657   16.055   2.8488 2.848988 3.702999 
1 1 1    7    9   40 o   32.108   2.2369  123.750   16.854  155.400   23.835   92.100   23.835   35.830   2.8404   27.225   3.8120 8.604502 4.753841 
1 1 1    7    9   41 o   48.357   3.0601  284.614   34.763  331.000   49.103  238.000   49.223   51.591   4.0635   43.194   4.9133 8.397205 6.375938 
1 1 1    7    9   42 o   41.857   2.7183  212.714   26.721  257.900   37.763  167.400   37.817   45.689   3.5275   36.232   4.5183 9.456768 5.732201 
1 1 1    7    9   43 o   42.716   2.8275  222.709   28.359  264.100   40.029  181.000   40.183   46.003   3.7167   37.469   4.6409 8.534039 5.945746 
1 1 1    7    9   44 o   27.754   2.1014   93.035   13.670  105.800   19.306   80.200   19.359   29.354   2.8199   25.331   3.3161 4.023048 4.352932 
1 1 1    7    9   45 o   34.475   2.4422  144.531   19.752  181.800   27.885  107.000   27.983   38.354   3.1056   28.790   4.2434 9.564075 5.258461 
1 1 1    7    9   46 o   40.844   2.5888  203.876   24.839  247.800   35.177  160.200   35.078   44.536   3.3699   35.139   4.3184 9.396393 5.477647 
1 1 1    7    9   47 o   2.8140   1.2198  -0.2184   1.4978   2.4000   1.9706  -3.8000   2.3047   4.6106   1.5408   2.5575   1.2386 2.053078 1.976917 
1 1 1    7    9   48 o   19.737   2.6543   48.800   12.057   48.800   12.057   0.0000   0.0000   19.737   2.6543  ?   ?  0.000000 2.654276 
1 1 1    7    9   49 o   13.016   2.5384   21.600   7.5216   21.600   7.5216   0.0000   0.0000   13.016   2.5384  ?   ?  0.000000 2.538354 
1 1 1    7    9   50 o   30.068   3.2743  117.300   22.872  117.300   22.872   0.0000   0.0000   30.068   3.2743  ?   ?  0.000000 3.274287 
1 1 1    7    9   51 o   14.559   2.5393   27.100   8.4122   27.100   8.4122   0.0000   0.0000   14.559   2.5393  ?   ?  0.000000 2.539321 
1 1 1    7    9   52 o   4.3491   1.7415   1.2000   2.7148   1.2000   2.7148   0.0000   0.0000   4.3491   1.7415  ?   ?  0.000000 1.741496 
1 1 1    7    9   53 o   16.061   2.6291   33.800   9.6258   33.800   9.6258   0.0000   0.0000   16.061   2.6291  ?   ?  0.000000 2.629077 
1 1 1    7    9   54 o   7.7844   2.4181   8.0000   4.9125   8.0000   4.9125   0.0000   0.0000   7.7844   2.4181  ?   ?  0.000000 2.418067 
1 1 1    7    9   55 o   4.3502   1.7406   1.4000   2.7096   1.4000   2.7096   0.0000   0.0000   4.3502   1.7406  ?   ?  0.000000 1.740550 
1 1 1    7    9   56 o   12.273   2.8508   22.100   8.1040   22.100   8.1040   0.0000   0.0000   12.273   2.8508  ?   ?  0.000000 2.850806 
1 1 1    7    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   10    0 o   64.259   5.3214  497.800   79.473  497.800   79.473  497.800   79.473   64.259   5.3214   64.259   5.3214 0.000000 0.000000 
1 1 1    7   10    1 o  277.034   14.669  9177.71  956.216  9586.70  1352.60  8769.10  1351.99  281.489   20.490  268.833   21.477 12.65652 29.68301 
1 1 1    7   10    2 o  111.203   5.9517  1466.64  155.720  1601.80  220.310  1331.70  220.132  116.017   8.0924  105.634   8.9082 10.38358 12.03505 
1 1 1    7   10    3 o  292.268   15.500 10228.57  1065.92  9667.80  1507.19 10789.70  1507.67  281.810   22.846  298.290   21.550 -16.47983 31.40550 
1 1 1    7   10    4 o  429.361   33.967 23102.20  3415.74   0.0000   0.0000 23102.20  3415.74  ?   ?   429.361   33.967 0.000000 33.96726 
1 1 1    7   10    5 f  234.604   12.397  6565.88  684.329  6873.80  968.134  6258.40  967.439  238.922   17.276  227.686   18.145 11.23590 25.05394 
1 1 1    7   10    6 o  149.579   7.9111  2657.49  278.436  2846.80  393.985  2468.60  393.550  154.435   10.873  143.625   11.706 10.80957 15.97653 
1 1 1    7   10    7 o  275.694   14.680  9102.16  952.243  8966.60  1346.71  9237.70  1346.64  271.584   21.167  275.805   20.831 -4.220703 29.69748 
1 1 1    7   10    8 o  398.351   21.380 19267.66  2003.72 19515.80  2837.37 19020.80  2830.01  395.260   30.639  389.948   30.990 5.312286 43.57893 
1 1 1    7   10    9 o  207.261   11.029  5123.35  537.855  5069.30  760.623  5177.40  760.661  205.076   15.829  207.311   15.654 -2.234665 22.26238 
1 1 1    7   10   10 o  270.670   14.222  8789.80  905.821  7904.80  1280.48  9676.30  1281.57  254.016   21.551  282.161   19.352 -28.14444 28.96419 
1 1 1    7   10   11 o  209.411   10.886  5237.10  536.448  4850.00  757.382  5626.80  759.930  200.123   16.165  216.010   14.991 -15.88663 22.04646 
1 1 1    7   10   12 o  293.910   15.934 10440.82  1101.73 11915.00  1557.76  8965.40  1558.42  311.250   21.323  267.814   24.929 43.43542 32.80448 
1 1 1    7   10   13 o  303.246   16.478 11156.58  1175.53 11341.40  1659.84 10970.60  1665.07  301.655   23.487  296.313   24.003 5.342255 33.58260 
1 1 1    7   10   14 o  136.243   7.4244  2210.41  237.956  2379.40  336.258  2040.90  336.782  140.860   10.178  130.211   11.058 10.64871 15.02870 
1 1 1    7   10   15 o  255.961   13.777  7924.49  829.609  7947.20  1174.91  7901.90  1171.58  253.151   19.813  252.423   19.815 0.7280426 28.02069 
1 1 1    7   10   16 o   68.954   3.8179  564.127   61.923  622.900   87.627  505.500   87.518   72.331   5.1644   65.045   5.7574 7.285439 7.734238 
1 1 1    7   10   17 f   57.547   3.3080  392.876   44.763  433.400   63.323  352.400   63.285   60.340   4.4761   54.314   4.9901 6.026035 6.703454 
1 1 1    7   10   18 o  111.046   5.9779  1467.65  156.176  1638.10  220.898  1297.30  220.835  116.971   8.0464  103.816   9.1001 13.15456 12.14728 
1 1 1    7   10   19 o   84.739   4.6599  853.231   92.885  901.300  131.385  805.200  131.333   86.854   6.4522   82.003   6.8450 4.851097 9.406592 
1 1 1    7   10   20 o  237.593   12.799  6863.65  715.408  6727.60  1011.20  7000.00  1012.28  231.515   18.655  236.460   18.271 -4.945007 26.11208 
1 1 1    7   10   21 o  331.414   18.438 13762.94  1437.21 14843.00  2032.49 12682.80  2032.56  335.053   25.890  306.313   28.424 28.73996 38.44807 
1 1 1    7   10   22 o   84.345   4.6437  845.730   92.132  893.700  130.320  797.800  130.267   86.448   6.4301   81.583   6.8247 4.865250 9.376679 
1 1 1    7   10   23 o  123.372   6.6195  1817.12  192.139  1736.10  271.591  1898.30  271.861  119.829   9.6809  125.461   9.2415 -5.632393 13.38380 
1 1 1    7   10   24 o   91.594   4.9978  998.557  107.686  1090.70  152.327  906.500  152.256   95.422   6.8049   86.806   7.5015 8.616020 10.12812 
1 1 1    7   10   25 o   76.223   4.2520  690.852   76.227  687.700  107.830  694.000  107.773   75.771   6.0778   76.125   6.0452 -0.3544922 8.572276 
1 1 1    7   10   26 o  168.515   9.0699  3432.12  359.584  3554.80  508.688  3309.60  508.370  169.602   12.796  163.329   13.297 6.273499 18.45356 
1 1 1    7   10   27 o  117.738   6.3901  1661.14  176.995  1569.60  250.294  1752.70  250.322  113.458   9.4277  120.139   8.8868 -6.680595 12.95597 
1 1 1    7   10   28 f  190.346   10.366  4453.56  464.189  4666.30  656.677  4241.10  656.249  191.162   14.659  181.441   15.465 9.721680 21.30827 
1 1 1    7   10   29 o   70.528   4.0372  593.304   66.957  560.200   94.769  626.300   94.614   68.117   5.9516   72.139   5.5980 -4.022285 8.170624 
1 1 1    7   10   30 o   50.953   3.0867  309.190   36.964  285.700   52.319  332.600   52.231   48.710   4.6032   52.661   4.2361 -3.951340 6.255693 
1 1 1    7   10   31 o  111.819   6.1543  1516.49  161.877  1533.60  229.010  1499.40  228.847  110.930   8.8153  109.612   8.9188 1.318184 12.54011 
1 1 1    7   10   32 o   42.907   2.6905  219.414   27.122  210.200   38.386  228.600   38.327   41.769   3.9384   43.611   3.7585 -1.842396 5.444004 
1 1 1    7   10   33 o   99.606   5.5218  1207.22  129.366  1229.70  183.062  1184.80  182.842   99.026   7.8942   97.081   8.0485 1.945007 11.27371 
1 1 1    7   10   34 f   46.190   2.8702  255.003   31.150  269.200   43.971  240.700   44.136   47.204   3.9820   44.546   4.2472 2.657707 5.821970 
1 1 1    7   10   35 o  123.618   7.1123  1915.72  206.738  2267.20  292.281  1563.80  292.461  131.632   9.4664  106.379   11.844 25.25328 15.16200 
1 1 1    7   10   36 o   24.653   1.9528   72.559   11.275   74.500   15.908   70.600   15.983   24.849   2.7576   24.163   2.8565 0.6862831 3.970357 
1 1 1    7   10   37 o   40.134   2.6125  192.863   24.624  208.400   34.754  177.200   34.894   41.480   3.5834   38.124   3.9326 3.356052 5.320369 
1 1 1    7   10   38 o   57.284   3.4687  396.584   46.699  417.500   65.832  375.400   66.253   58.160   4.8374   54.964   5.1653 3.196125 7.076785 
1 1 1    7   10   39 o   33.923   2.3829  138.104   18.967  151.200   26.718  124.800   26.929   35.267   3.2447   31.890   3.6413 3.376287 4.877182 
1 1 1    7   10   40 o   60.055   3.7358  442.124   52.715  489.900   74.301  393.700   74.804   62.263   5.0983   55.232   5.8233 7.031090 7.739708 
1 1 1    7   10   41 o   23.172   1.9296   64.529   10.462   67.800   14.731   61.200   14.862   23.566   2.6958   22.320   2.8875 1.246014 3.950306 
1 1 1    7   10   42 o   44.565   2.8192  241.718   29.515  244.200   41.589  239.200   41.894   44.116   4.0370   43.609   4.1170 0.5077629 5.766048 
1 1 1    7   10   43 o   64.147   3.9501  516.028   59.544  588.600   84.105  443.100   84.310   66.913   5.3681   56.838   6.3927 10.07450 8.347621 
1 1 1    7   10   44 o   37.738   2.5867  173.406   22.912  193.700   32.279  152.800   32.526   39.410   3.5051   34.663   4.0502 4.747700 5.356299 
1 1 1    7   10   45 o   37.593   2.6306  172.615   23.205  220.100   32.743  124.700   32.891   42.069   3.3231   30.832   4.6633 11.23736 5.726205 
1 1 1    7   10   46 o   4.7904   1.6708   2.4540   2.3223   0.6000   3.1073   4.8000   3.4954   4.3929   1.8231   6.3808   2.0473 -1.987875 2.741389 
1 1 1    7   10   47 o   14.151   1.7809   24.425   5.8194   29.200   8.1267   19.400   8.3370   15.339   2.3157   12.293   2.9161 3.046070 3.723722 
1 1 1    7   10   48 o   31.357   3.3001  125.400   24.069  125.400   24.069   0.0000   0.0000   31.357   3.3001  ?   ?  0.000000 3.300095 
1 1 1    7   10   49 f   18.687   2.6222   44.100   11.252   44.100   11.252   0.0000   0.0000   18.687   2.6222  ?   ?  0.000000 2.622185 
1 1 1    7   10   50 o   9.7032   2.4141   12.100   5.5089   12.100   5.5089   0.0000   0.0000   9.7032   2.4141  ?   ?  0.000000 2.414120 
1 1 1    7   10   51 o   10.370   2.4621   13.900   5.9391   13.900   5.9391   0.0000   0.0000   10.370   2.4621  ?   ?  0.000000 2.462079 
1 1 1    7   10   52 o   10.214   2.4845   13.600   5.9348   13.600   5.9348   0.0000   0.0000   10.214   2.4845  ?   ?  0.000000 2.484550 
1 1 1    7   10   53 o   9.6687   2.4866   12.400   5.7094   12.400   5.7094   0.0000   0.0000   9.6687   2.4866  ?   ?  0.000000 2.486640 
1 1 1    7   10   54 o   17.566   2.7469   42.000   11.021   42.000   11.021   0.0000   0.0000   17.566   2.7469  ?   ?  0.000000 2.746887 
1 1 1    7   10   55 o   13.624   2.7648   26.300   8.5906   26.300   8.5906   0.0000   0.0000   13.624   2.7648  ?   ?  0.000000 2.764830 
1 1 1    7   10   56 o   16.188   2.9828   38.700   10.982   38.700   10.982   0.0000   0.0000   16.188   2.9828  ?   ?  0.000000 2.982791 
1 1 1    7   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   11    0 o   22.609   2.8071   63.100   14.365   63.100   14.365   63.100   14.365   22.609   2.8071   22.609   2.8071 0.000000 0.000000 
1 1 1    7   11    1 o  410.932   21.923 20466.08  2119.61 19002.90  2995.52 21933.30  2999.65  389.728   32.856  420.527   30.413 -30.79929 44.77120 
1 1 1    7   11    2 o  120.179   6.1926  1713.06  175.141  1979.40  247.940  1447.80  247.434  129.007   8.1814  110.068   9.6166 18.93908 12.62589 
1 1 1    7   11    3 o  302.323   15.621 10952.86  1111.40 12262.00  1572.89  9647.50  1570.61  318.057   21.062  280.882   23.908 37.17563 31.86175 
1 1 1    7   11    4 o  144.983   7.3213  2495.00  249.839  2928.30  353.756  2063.80  352.896  156.822   9.5991  131.270   11.501 25.55243 14.98022 
1 1 1    7   11    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   11    6 o  389.225   21.176 18379.43  1938.95 16195.40  2742.90 20560.90  2741.29  358.675   32.746  407.285   28.687 -48.60947 43.53428 
1 1 1    7   11    7 o  391.079   18.435 18413.89  1702.41 23027.80  2416.04 13864.10  2399.20  434.050   23.662  332.377   30.923 101.6735 38.93730 
1 1 1    7   11    8 o  230.064   12.230  6324.94  662.004  6577.70  936.324  6072.30  936.107  233.314   17.114  223.895   17.854 9.419479 24.73228 
1 1 1    7   11    9 o  340.503   16.977 13959.04  1365.04 16628.30  1932.51 11301.10  1928.40  368.449   22.317  300.662   27.465 67.78659 35.38882 
1 1 1    7   11   10 o  241.792   12.942  7008.88  736.237  7033.20  1039.51  6984.40  1042.89  240.351   18.457  239.459   18.589 0.8924866 26.19546 
1 1 1    7   11   11 o  183.113   9.8484  4001.77  424.274  4117.60  599.452  3885.50  600.578  184.801   13.837  179.362   14.299 5.439636 19.89794 
1 1 1    7   11   12 o  230.238   12.392  6363.32  671.214  6513.40  948.395  6212.70  950.087  231.080   17.511  225.451   17.996 5.629120 25.10960 
1 1 1    7   11   13 o  147.736   7.2330  2590.52  252.329  2183.80  355.577  3003.10  358.131  134.684   11.284  158.464   9.6163 -23.77997 14.82593 
1 1 1    7   11   14 o  290.619   15.721 10275.03  1074.87 11806.40  1520.11  8743.70  1520.09  308.084   21.021  262.298   24.838 45.78564 32.53904 
1 1 1    7   11   15 o   94.326   5.1896  1057.14  115.147  1133.90  162.798  980.300  162.888   97.439   7.1249   90.470   7.6979 6.969048 10.48911 
1 1 1    7   11   16 o  145.668   7.9866  2533.80  273.670  2645.70  386.340  2421.10  387.720  148.089   11.129  141.464   11.712 6.624756 16.15660 
1 1 1    7   11   17 o   97.010   5.2365  1118.62  119.510  1247.40  169.062  990.000  168.964  102.192   7.0490   90.827   7.9582 11.36475 10.63121 
1 1 1    7   11   18 o  147.477   8.1688  2601.78  283.366  2799.90  400.152  2402.50  401.331  152.149   11.217  140.561   12.213 11.58774 16.58213 
1 1 1    7   11   19 o   36.145   2.3616  155.044   20.045  166.800   28.355  143.300   28.342   37.415   3.2414   34.626   3.5149 2.788544 4.781358 
1 1 1    7   11   20 o  212.010   11.381  5437.62  567.661  5319.60  802.362  5555.90  803.227  206.950   16.558  211.749   16.187 -4.799255 23.15509 
1 1 1    7   11   21 o   60.043   3.4407  427.927   48.579  451.900   68.734  404.000   68.669   61.561   4.7654   58.149   5.0512 3.412254 6.944320 
1 1 1    7   11   22 o  163.113   8.7912  3194.57  337.357  3312.30  477.049  3076.80  477.140  164.784   12.350  158.575   12.853 6.208771 17.82450 
1 1 1    7   11   23 o  218.077   11.863  5786.14  608.604  5954.90  860.456  5617.20  860.935  218.029   16.844  211.315   17.408 6.713593 24.22313 
1 1 1    7   11   24 o  135.198   7.3239  2188.89  232.943  2317.00  329.384  2060.70  329.479  138.228   10.162  130.085   10.824 8.142960 14.84728 
1 1 1    7   11   25 o  168.441   9.0088  3423.41  357.026  3629.40  505.087  3217.70  504.734  171.750   12.541  161.216   13.379 10.53320 18.33779 
1 1 1    7   11   26 o   98.422   5.2807  1155.54  122.280  1248.60  173.036  1062.70  172.824  101.873   7.2402   93.778   7.8774 8.095734 10.69928 
1 1 1    7   11   27 o  118.240   6.3273  1676.27  176.023  1819.10  249.045  1533.70  248.824  122.384   8.6739  112.011   9.4969 10.37360 12.86182 
1 1 1    7   11   28 o   75.262   4.2157  675.451   74.620  671.200  105.546  679.700  105.512   74.639   6.0402   75.123   5.9979 -0.4843369 8.512261 
1 1 1    7   11   29 o   92.615   5.1179  1028.16  111.492  999.700  157.695  1056.60  157.653   90.570   7.4392   93.210   7.2190 -2.640182 10.36612 
1 1 1    7   11   30 o  124.303   6.7948  1877.69  198.687  1920.80  281.181  1834.70  280.790  123.941   9.6844  120.954   9.9183 2.987251 13.86221 
1 1 1    7   11   31 o   89.266   4.9537  959.539  104.008  968.100  147.187  951.000  146.993   88.775   7.0802   87.954   7.1391 0.8202744 10.05461 
1 1 1    7   11   32 o   37.036   2.4166  163.402   21.019  163.100   29.801  163.700   29.650   36.830   3.4674   36.903   3.4422 -0.7305527E-01 4.885830 
1 1 1    7   11   33 f   46.417   2.8419  257.303   30.999  256.800   43.990  257.800   43.689   46.095   4.0837   46.196   4.0458 -0.1003494 5.748523 
1 1 1    7   11   34 o  109.807   6.1636  1485.81  159.173  1476.50  225.214  1495.10  224.996  106.987   8.9982  107.735   8.9245 -0.7487946 12.67333 
1 1 1    7   11   35 o   7.6393   1.7836   7.1944   3.1591   4.4000   4.6447   9.6000   4.3094   6.5976   2.3572   8.8183   2.0997 -2.220689 3.156764 
1 1 1    7   11   36 o   77.639   4.3395  731.630   79.239  763.600  112.185  699.800  111.937   78.291   6.1168   74.745   6.4039 3.546394 8.855827 
1 1 1    7   11   37 o   80.993   4.6375  802.377   88.326  809.100  124.662  795.600  125.162   79.882   6.6698   79.133   6.7631 0.7489014 9.498722 
1 1 1    7   11   38 o   28.052   2.1204   94.171   13.942  118.300   19.688   69.900   19.745   31.343   2.6860   23.803   3.6277 7.539915 4.513847 
1 1 1    7   11   39 o   10.705   1.6550   13.924   4.0485   12.000   5.6876   15.900   5.7641   9.8269   2.4574   11.352   2.2299 -1.524776 3.318342 
1 1 1    7   11   40 o   41.961   2.6159  212.427   25.790  271.100   36.496  153.900   36.450   47.137   3.2996   34.926   4.5261 12.21096 5.601182 
1 1 1    7   11   41 o   5.5323   1.6616   3.6769   2.3453   1.6000   3.1667   6.2000   3.4903   4.8240   1.8971   7.1058   1.9971 -2.281774 2.754524 
1 1 1    7   11   42 o   38.521   2.6104  180.143   23.605  203.200   33.280  156.800   33.485   40.485   3.5161   35.223   4.1028 5.261353 5.403332 
1 1 1    7   11   43 o   19.595   1.8561   46.322   8.4860   49.400   11.865   43.100   12.141   20.055   2.5642   18.626   2.8513 1.429045 3.834754 
1 1 1    7   11   44 o   38.596   2.6202  181.578   23.739  224.200   33.522  138.700   33.623   42.487   3.3690   32.740   4.4655 9.746670 5.593808 
1 1 1    7   11   45 o   18.041   1.8066   39.349   7.5930   40.900   10.578   37.700   10.906   18.201   2.5296   17.394   2.7462 0.8062363 3.733734 
1 1 1    7   11   46 o   26.299   2.0611   83.890   12.698   90.500   17.903   77.200   18.011   27.006   2.8505   24.791   3.1477 2.215397 4.246565 
1 1 1    7   11   47 o   18.529   1.8287   41.712   7.8970   51.700   11.134   31.600   11.203   20.475   2.3451   15.669   3.1371 4.805920 3.916698 
1 1 1    7   11   48 o   35.810   3.6227  166.000   30.212  166.000   30.212   0.0000   0.0000   35.810   3.6227  ?   ?  0.000000 3.622670 
1 1 1    7   11   49 o   12.739   2.4934   20.700   7.2319   20.700   7.2319   0.0000   0.0000   12.739   2.4934  ?   ?  0.000000 2.493443 
1 1 1    7   11   50 o   7.3102   2.2702   6.6000   4.3302   6.6000   4.3302   0.0000   0.0000   7.3102   2.2702  ?   ?  0.000000 2.270153 
1 1 1    7   11   51 o   7.1713   2.1953   6.4000   4.0658   6.4000   4.0658   0.0000   0.0000   7.1713   2.1953  ?   ?  0.000000 2.195266 
1 1 1    7   11   52 o   3.2251   1.4424  -0.9000   2.2530  -0.9000   2.2530   0.0000   0.0000   3.2251   1.4424  ?   ?  0.000000 1.442391 
1 1 1    7   11   53 f   8.6971   2.3874  10.0000   5.0520  10.0000   5.0520   0.0000   0.0000   8.6971   2.3874  ?   ?  0.000000 2.387391 
1 1 1    7   11   54 o   12.790   2.6428   22.500   7.7178   22.500   7.7178   0.0000   0.0000   12.790   2.6428  ?   ?  0.000000 2.642820 
1 1 1    7   11   55 o   12.292   2.6886   21.400   7.5868   21.400   7.5868   0.0000   0.0000   12.292   2.6886  ?   ?  0.000000 2.688623 
1 1 1    7   11   56 o   5.2367   2.1762   1.8000   4.4359   1.8000   4.4359   0.0000   0.0000   5.2367   2.1762  ?   ?  0.000000 2.176184 
1 1 1    7   11   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   12    0 o  142.681   11.062  2454.30  367.551  2454.30  367.551  2454.30  367.551  142.681   11.062  142.681   11.062 0.000000 0.000000 
1 1 1    7   12    1 o  338.318   18.069 13786.38  1438.31 13455.90  2033.86 14117.00  2034.29  330.629   26.267  339.041   25.598 -8.411560 36.67743 
1 1 1    7   12    2 o  380.012   29.854 17961.40  2657.37   0.0000   0.0000 17961.40  2657.37  ?   ?   380.012   29.854 0.000000 29.85396 
1 1 1    7   12    3 o  222.417   11.621  5899.69  608.232  5387.50  859.657  6413.10  860.683  211.188   17.393  230.945   15.879 -19.75708 23.55105 
1 1 1    7   12    4 o  222.271   11.799  5894.98  617.080  5706.80  872.514  6083.30  872.851  217.420   17.133  224.675   16.569 -7.254639 23.83462 
1 1 1    7   12    5 o  221.149   11.721  5836.67  609.896  6188.90  862.685  5484.70  862.363  226.657   16.226  213.011   17.294 13.64667 23.71394 
1 1 1    7   12    6 o  342.947   18.389 14214.18  1483.72 14439.20  2098.38 13989.20  2098.21  341.658   26.209  336.000   26.664 5.658417 37.38859 
1 1 1    7   12    7 o  243.615   12.950  7104.09  742.265  7411.50  1049.90  6796.90  1049.54  247.260   18.108  236.434   18.958 10.82603 26.21637 
1 1 1    7   12    8 o  153.917   8.2289  2818.55  297.999  2819.10  421.537  2818.00  421.332  153.333   11.731  153.303   11.728 0.2940369E-01 16.58811 
1 1 1    7   12    9 o  308.336   16.292 11485.35  1182.00 12451.30  1672.46 10521.40  1670.74  317.915   22.422  290.915   24.550 26.99957 33.24852 
1 1 1    7   12   10 o  184.267   10.023  4054.41  434.478  4501.00  614.022  3606.60  614.867  193.313   13.537  172.463   15.256 20.85066 20.39536 
1 1 1    7   12   11 o  314.098   17.194 11995.97  1270.44 13220.90  1795.85 10768.80  1797.49  325.778   23.502  291.906   26.362 33.87204 35.31717 
1 1 1    7   12   12 o  194.768   10.579  4542.34  484.713  4717.50  684.348  4366.00  686.633  197.200   14.804  189.433   15.485 7.767426 21.42348 
1 1 1    7   12   13 o   74.511   4.1319  658.761   72.415  747.400  102.462  570.300  102.359   79.240   5.5102   69.058   6.3480 10.18169 8.405952 
1 1 1    7   12   14 o   71.739   4.0359  610.754   68.090  614.800   96.247  606.700   96.341   71.792   5.7250   71.308   5.7709 0.4833069 8.128931 
1 1 1    7   12   15 o  119.837   6.4708  1709.70  182.432  1733.20  258.007  1686.20  257.989  120.166   9.1616  118.488   9.2953 1.678078 13.05133 
1 1 1    7   12   16 o   70.657   3.9865  592.610   66.242  594.300   93.410  590.900   93.952   70.568   5.6531   70.358   5.7041 0.2102432 8.030805 
1 1 1    7   12   17 o  111.818   6.0492  1488.59  159.132  1553.50  225.067  1423.70  225.025  113.800   8.4355  108.831   8.8324 4.968826 12.21345 
1 1 1    7   12   18 o   36.654   2.3965  159.451   20.629  159.600   29.102  159.300   29.246   36.575   3.4088   36.538   3.4298 0.3715897E-01 4.835681 
1 1 1    7   12   19 o  115.890   6.3010  1600.74  171.783  1659.10  242.848  1542.30  243.027  117.469   8.8192  113.151   9.1747 4.318604 12.72607 
1 1 1    7   12   20 o   94.077   5.1554  1052.86  114.092  1063.40  161.297  1042.30  161.403   94.195   7.3089   93.235   7.3917 0.9599915 10.39509 
1 1 1    7   12   21 o  174.560   9.4244  3664.86  387.032  3817.20  547.242  3512.40  547.450  176.624   13.217  169.107   13.830 7.516495 19.13029 
1 1 1    7   12   22 o  233.798   12.518  6662.51  688.580  7660.30  974.013  5665.60  973.584  247.740   16.748  210.645   19.806 37.09471 25.93764 
1 1 1    7   12   23 o   57.198   3.3059  388.433   44.461  415.000   62.898  361.900   62.857   58.987   4.5508   55.014   4.8895 3.972916 6.679625 
1 1 1    7   12   24 o  176.256   9.5197  3751.49  394.743  3744.10  557.857  3758.90  558.646  174.045   13.684  174.395   13.675 -0.3506470 19.34596 
1 1 1    7   12   25 o   25.409   1.9531   76.747   11.629   67.600   16.442   85.900   16.448   23.713   3.0037   26.822   2.6309 -3.108232 3.992938 
1 1 1    7   12   26 o   36.542   2.3764  158.583   20.394  165.200   28.879  152.000   28.805   37.199   3.3226   35.652   3.4654 1.547955 4.800900 
1 1 1    7   12   27 o   56.129   3.2553  374.584   42.961  387.400   60.794  361.800   60.719   56.896   4.5633   54.945   4.7259 1.951550 6.569489 
1 1 1    7   12   28 o   73.193   4.0401  638.719   69.558  678.900   98.469  598.700   98.270   75.142   5.5895   70.449   5.9632 4.693336 8.173277 
1 1 1    7   12   29 o   78.572   4.3909  738.297   81.140  657.600  114.748  819.000  114.752   73.514   6.6831   82.345   5.9413 -8.830879 8.942253 
1 1 1    7   12   30 o   50.405   2.9909  302.671   35.440  309.100   50.233  296.300   50.006   50.715   4.2333   49.631   4.3097 1.084576 6.041027 
1 1 1    7   12   31 o   32.726   2.2289  127.495   17.122  128.800   24.260  126.200   24.169   32.757   3.1763   32.418   3.1990 0.3391113 4.508053 
1 1 1    7   12   32 o  127.002   7.1342  1993.56  213.086  1947.20  301.560  2039.80  301.140  122.354   10.540  125.558   10.246 -3.203690 14.69975 
1 1 1    7   12   33 o   49.817   3.0382  296.788   35.569  278.300   50.353  315.200   50.250   47.866   4.5080   51.054   4.2056 -3.187908 6.165143 
1 1 1    7   12   34 o   74.789   4.2001  675.364   73.875  703.200  104.542  647.600  104.408   75.515   5.9098   72.312   6.1737 3.203766 8.546340 
1 1 1    7   12   35 o   40.403   2.4976  194.946   23.711  210.800   33.590  179.200   33.476   41.815   3.4321   38.456   3.7335 3.359245 5.071318 
1 1 1    7   12   36 o   88.587   4.5761  955.593   95.399  1124.50  135.138  787.800  134.691   95.058   6.0519   78.548   7.3471 16.50977 9.518653 
1 1 1    7   12   37 o   33.169   2.0069  131.198   15.644  158.400   22.250  104.600   22.001   36.340   2.6102   29.354   3.2274 6.986296 4.150793 
1 1 1    7   12   38 o   34.933   2.3271  146.193   19.086  147.700   27.053  144.700   26.931   34.854   3.3274   34.488   3.3491 0.3652000 4.721040 
1 1 1    7   12   39 o   46.307   2.8937  259.040   31.483  323.200   44.511  194.800   44.538   51.393   3.6923   39.283   4.9085 12.10981 6.142182 
1 1 1    7   12   40 o   35.167   2.4026  149.049   19.832  169.300   28.013  128.700   28.081   37.200   3.2208   32.187   3.7659 5.013386 4.955356 
1 1 1    7   12   41 o   42.314   2.7320  217.254   27.152  253.500   38.370  180.900   38.427   45.274   3.6193   37.795   4.3873 7.479412 5.687534 
1 1 1    7   12   42 o   27.887   2.1032   93.784   13.748   99.600   19.386   87.900   19.500   28.474   2.9248   26.645   3.1609 1.829250 4.306531 
1 1 1    7   12   43 o   8.2427   1.8586   8.4448   3.5312   14.600   4.8664   1.6000   5.1318   10.879   1.9668   5.8049   2.3689 5.073851 3.078930 
1 1 1    7   12   44 o   17.408   1.7926   36.617   7.2635   44.400   10.228   28.700   10.317   19.051   2.3216   15.072   3.0042 3.979872 3.796730 
1 1 1    7   12   45 o   12.093   1.6692   17.796   4.6394   13.400   6.4526   22.500   6.6751   10.301   2.6404   13.506   2.1662 -3.204556 3.415284 
1 1 1    7   12   46 o   26.003   2.0997   82.182   12.783  108.000   18.031   56.100   18.124   29.615   2.6049   20.740   3.8421 8.875685 4.641924 
1 1 1    7   12   47 o   18.115   1.8239   39.906   7.6954   52.100   10.858   27.600   10.908   20.569   2.2735   14.567   3.2533 6.001975 3.968944 
1 1 1    7   12   48 o   33.700   3.4796  146.800   27.292  146.800   27.292   0.0000   0.0000   33.700   3.4796  ?   ?  0.000000 3.479640 
1 1 1    7   12   49 o   5.5377   2.0229   3.1000   3.4445   3.1000   3.4445   0.0000   0.0000   5.5377   2.0229  ?   ?  0.000000 2.022925 
1 1 1    7   12   50 o   18.154   2.6316   41.900   10.952   41.900   10.952   0.0000   0.0000   18.154   2.6316  ?   ?  0.000000 2.631598 
1 1 1    7   12   51 o   14.080   2.5503   25.500   8.1669   25.500   8.1669   0.0000   0.0000   14.080   2.5503  ?   ?  0.000000 2.550285 
1 1 1    7   12   52 o   9.9813   2.5184   13.100   5.9355   13.100   5.9355   0.0000   0.0000   9.9813   2.5184  ?   ?  0.000000 2.518368 
1 1 1    7   12   53 o   4.9769   1.8769   2.4000   3.0082   2.4000   3.0082   0.0000   0.0000   4.9769   1.8769  ?   ?  0.000000 1.876871 
1 1 1    7   12   54 o   9.0244   2.4699   11.200   5.4166   11.200   5.4166   0.0000   0.0000   9.0244   2.4699  ?   ?  0.000000 2.469875 
1 1 1    7   12   55 f   5.2083   2.0654   2.4000   3.7829   2.4000   3.7829   0.0000   0.0000   5.2083   2.0654  ?   ?  0.000000 2.065402 
1 1 1    7   12   56 o   6.2968   2.4876   4.2000   5.4681   4.2000   5.4681   0.0000   0.0000   6.2968   2.4876  ?   ?  0.000000 2.487581 
1 1 1    7   12   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   13    0 o   83.185   6.6685  833.700  129.053  833.700  129.053  833.700  129.053   83.185   6.6685   83.185   6.6685 0.000000 0.000000 
1 1 1    7   13    1 o  188.700   10.048  4241.20  446.134  4244.10  630.844  4238.30  631.014  187.923   14.324  187.790   14.338 0.1324158 20.26732 
1 1 1    7   13    2 o  264.101   14.069  8356.54  874.225  8397.50  1236.44  8315.60  1236.24  262.794   20.077  261.464   20.179 1.330048 28.46528 
1 1 1    7   13    3 o  227.248   12.085  6169.37  646.144  6270.40  913.941  6068.40  913.631  227.783   17.117  223.975   17.412 3.807922 24.41606 
1 1 1    7   13    4 o  440.171   35.680 24868.60  3676.70 24868.60  3676.70   0.0000   0.0000  440.171   35.680  ?   ?  0.000000 35.68026 
1 1 1    7   13    5 o  495.895   41.439 32547.00  4808.03 32547.00  4808.03   0.0000   0.0000  495.895   41.439  ?   ?  0.000000 41.43941 
1 1 1    7   13    6 o  301.347   15.981 10946.52  1133.09 10140.60  1601.85 11753.60  1603.02  286.395   23.905  309.457   22.082 -23.06183 32.54289 
1 1 1    7   13    7 o   58.239   3.3617  402.134   46.034  418.900   65.133  385.400   65.071   59.331   4.6871   56.872   4.8930 2.458546 6.775721 
1 1 1    7   13    8 o  239.765   12.792  6896.21  721.631  7079.40  1020.66  6713.10  1020.42  241.077   18.061  234.517   18.579 6.560547 25.91034 
1 1 1    7   13    9 o  272.966   14.752  8988.37  947.360  9157.70  1337.94  8818.10  1341.61  272.637   20.942  267.240   21.440 5.396576 29.97109 
1 1 1    7   13   10 o   58.937   3.3885  411.920   46.960  425.300   66.613  398.700   66.212   59.766   4.7594   57.840   4.8937 1.925720 6.826488 
1 1 1    7   13   11 o  206.295   11.068  5102.07  537.213  5135.30  760.090  5068.90  759.379  205.373   15.794  203.997   15.890 1.375793 22.40403 
1 1 1    7   13   12 o  132.501   7.2994  2091.47  227.506  2364.60  321.466  1817.40  322.019  140.443   9.7538  122.710   11.238 17.73354 14.88052 
1 1 1    7   13   13 o  177.342   9.5994  3765.54  400.495  3904.30  565.802  3626.20  566.970  179.409   13.453  172.665   14.027 6.743423 19.43579 
1 1 1    7   13   14 o  135.053   7.0733  2173.26  224.789  2646.70  318.082  1700.90  317.717  148.656   9.1053  118.487   11.500 30.16924 14.66848 
1 1 1    7   13   15 o  137.235   7.0677  2244.62  228.259  2604.90  323.114  1885.70  322.500  147.375   9.3329  124.875   11.051 22.49997 14.46472 
1 1 1    7   13   16 o  101.757   5.4256  1231.28  129.900  1336.30  183.899  1126.70  183.513  105.706   7.4144   96.893   8.0948 8.813103 10.97721 
1 1 1    7   13   17 o  151.438   8.0029  2742.03  285.169  2965.30  403.578  2519.40  403.001  156.655   10.979  144.023   11.958 12.63130 16.23384 
1 1 1    7   13   18 o   93.890   5.2870  1048.81  116.739  1153.30  164.890  943.800  165.300   98.169   7.1625   88.600   7.9868 9.569679 10.72798 
1 1 1    7   13   19 o  123.871   6.6597  1830.40  194.085  1984.00  274.518  1676.90  274.436  128.420   9.1118  117.791   9.9599 10.62952 13.49906 
1 1 1    7   13   20 f  191.792   10.363  4437.12  467.574  4918.40  661.205  3955.70  661.295  200.202   14.076  178.530   15.851 21.67181 21.19892 
1 1 1    7   13   21 o  193.634   10.280  4525.11  468.366  4948.00  662.715  4103.10  662.026  200.638   14.077  181.818   15.570 18.82018 20.99007 
1 1 1    7   13   22 o   31.186   2.1471  115.478   15.715  126.900   22.246  104.100   22.203   32.627   2.9182   29.486   3.2425 3.141258 4.362272 
1 1 1    7   13   23 o  108.834   5.9449  1413.09  152.203  1516.80  215.204  1309.30  215.291  112.265   8.1740  104.089   8.8428 8.176254 12.04200 
1 1 1    7   13   24 o   45.685   2.7898  247.801   29.952  249.400   42.346  246.200   42.373   45.705   3.9628   45.405   3.9926 0.2999229 5.625390 
1 1 1    7   13   25 o   17.202   1.7365   35.322   6.9573   32.800   9.8833   37.800   9.7954   16.448   2.6335   17.718   2.4033 -1.270008 3.565291 
1 1 1    7   13   26 o   51.011   2.9939  309.151   35.906  341.100   50.817  277.300   50.739   53.459   4.0558   48.099   4.5203 5.359745 6.073121 
1 1 1    7   13   27 f  120.822   6.5848  1757.10  187.156  1770.40  264.721  1743.80  264.637  120.101   9.4095  119.155   9.4839 0.9463882 13.35973 
1 1 1    7   13   28 o   71.832   4.0156  615.617   67.841  641.600   96.002  589.700   95.880   72.982   5.6137   69.886   5.8641 3.095924 8.117964 
1 1 1    7   13   29 o   50.884   3.0115  308.320   36.024  315.800   51.048  300.900   50.843   51.287   4.2535   50.036   4.3463 1.251392 6.081348 
1 1 1    7   13   30 o   84.601   4.7042  860.138   93.606  894.200  132.402  826.100  132.356   85.549   6.6053   82.086   6.8921 3.463104 9.546238 
1 1 1    7   13   31 o   52.505   3.1212  329.105   38.524  321.900   54.501  336.300   54.461   51.616   4.5170   52.794   4.4089 -1.177849 6.312055 
1 1 1    7   13   32 o   55.024   3.1906  362.043   41.278  379.900   58.469  344.300   58.282   56.040   4.4551   53.267   4.6811 2.773823 6.462283 
1 1 1    7   13   33 o   78.377   4.1739  740.418   76.971  828.900  109.090  652.700  108.619   82.257   5.6506   72.572   6.4040 9.685135 8.540550 
1 1 1    7   13   34 o   6.7406   1.5251   5.5933   2.3708   6.8000   3.4386   4.5000   3.2731   7.4366   1.9384   6.2232   1.9795 1.213388 2.770524 
1 1 1    7   13   35 o  101.057   5.5266  1256.59  131.381  1373.90  185.965  1139.70  185.638  103.811   7.6399   93.714   8.4807 10.09683 11.41448 
1 1 1    7   13   36 o   13.713   1.7609   22.666   5.5705   18.400   7.9900   26.700   7.7703   12.173   2.8328   14.811   2.2961 -2.637915 3.646483 
1 1 1    7   13   37 o   40.511   2.4479  196.387   23.307  223.700   33.030  169.300   32.893   43.027   3.2754   37.245   3.7929 5.782112 5.011460 
1 1 1    7   13   38 o   29.147   2.0707  101.673   14.159  105.800   20.090   97.600   19.959   29.543   2.9179   28.336   3.0299 1.207966 4.206473 
1 1 1    7   13   39 o   29.466   2.0190  104.010   13.964  116.200   19.821   92.000   19.675   30.974   2.7383   27.433   3.0911 3.540144 4.129504 
1 1 1    7   13   40 o   63.607   3.5501  496.681   53.109  555.400   75.249  438.400   74.968   66.204   4.8471   58.200   5.5210 8.004116 7.346862 
1 1 1    7   13   41 o   2.2393   1.0188  -0.7464   1.1810  -1.7000   1.3923   1.7000   2.2300   2.1548   1.0214   4.3431   1.6203 -2.188294 1.915404 
1 1 1    7   13   42 o   27.236   2.1430   89.592   13.671  110.000   19.267   68.900   19.401   29.991   2.7513   23.357   3.6357 6.633286 4.559432 
1 1 1    7   13   43 f   14.649   1.7702   26.004   5.9991   28.100   8.2906   23.700   8.6917   15.082   2.4089   13.733   2.7758 1.349795 3.675315 
1 1 1    7   13   44 o   25.112   1.8760   75.956   11.044  109.000   15.665   43.300   15.572   29.995   2.2275   18.335   3.7239 11.66043 4.339276 
1 1 1    7   13   45 o   19.964   1.9833   48.363   9.2261   64.100   12.922   32.000   13.177   22.869   2.4301   15.702   3.6269 7.167509 4.365768 
1 1 1    7   13   46 o   38.568   2.6482  183.094   23.972  228.000   33.847  137.900   33.955   42.514   3.4000   32.157   4.6030 10.35662 5.722531 
1 1 1    7   13   47 o   27.872   2.1291   94.845   13.907  117.700   19.648   71.900   19.687   30.751   2.7344   23.490   3.6692 7.261187 4.576016 
1 1 1    7   13   48 o   11.951   2.4651   18.200   6.7260   18.200   6.7260   0.0000   0.0000   11.951   2.4651  ?   ?  0.000000 2.465124 
1 1 1    7   13   49 o   16.427   2.6029   34.300   9.7599   34.300   9.7599   0.0000   0.0000   16.427   2.6029  ?   ?  0.000000 2.602918 
1 1 1    7   13   50 o   11.677   2.4468   17.500   6.5307   17.500   6.5307   0.0000   0.0000   11.677   2.4468  ?   ?  0.000000 2.446767 
1 1 1    7   13   51 o   9.0540   2.4390   10.600   5.3316   10.600   5.3316   0.0000   0.0000   9.0540   2.4390  ?   ?  0.000000 2.439032 
1 1 1    7   13   52 o   8.8320   2.3608   10.200   5.0182   10.200   5.0182   0.0000   0.0000   8.8320   2.3608  ?   ?  0.000000 2.360805 
1 1 1    7   13   53 o   3.6748   1.5944  -0.2000   2.5635  -0.2000   2.5635   0.0000   0.0000   3.6748   1.5944  ?   ?  0.000000 1.594354 
1 1 1    7   13   54 o   10.370   2.5738   15.000   6.2727   15.000   6.2727   0.0000   0.0000   10.370   2.5738  ?   ?  0.000000 2.573755 
1 1 1    7   13   55 o   8.4128   2.5543  10.0000   5.5200  10.0000   5.5200   0.0000   0.0000   8.4128   2.5543  ?   ?  0.000000 2.554317 
1 1 1    7   13   56 o   10.070   2.9409   15.300   7.4303   15.300   7.4303   0.0000   0.0000   10.070   2.9409  ?   ?  0.000000 2.940933 
1 1 1    7   14    0 o   52.903   4.5361  337.900   55.707  337.900   55.707  337.900   55.707   52.903   4.5361   52.903   4.5361 0.000000 0.000000 
1 1 1    7   14    1 o  150.921   7.8537  2708.07  278.923  3063.30  394.725  2353.80  394.189  160.125   10.497  139.987   12.042 20.13831 15.97528 
1 1 1    7   14    2 o  292.553   15.308 10299.52  1053.82  9209.40  1489.46 11392.20  1491.20  273.194   23.312  305.332   20.806 -32.13751 31.24643 
1 1 1    7   14    3 o  410.752   21.600 20647.00  2087.74 19170.70  2946.95 22134.50  2958.10  387.264   32.527  418.499   30.135 -31.23563 44.34108 
1 1 1    7   14    4 o  223.528   11.374  5971.42  598.372  6952.30  847.041  4994.30  845.414  240.194   15.009  202.532   17.860 37.66196 23.32943 
1 1 1    7   14    5 o  184.381   9.7889  4055.02  424.673  4215.90  600.829  3894.40  600.329  187.121   13.693  179.656   14.268 7.465576 19.77578 
1 1 1    7   14    6 o  241.133   12.847  6976.63  728.862  7243.30  1031.00  6710.20  1030.53  243.851   18.033  234.355   18.780 9.496536 26.03577 
1 1 1    7   14    7 o  123.117   6.6009  1801.47  191.204  1706.10  270.289  1897.00  270.519  119.345   9.6742  125.976   9.1565 -6.630035 13.32033 
1 1 1    7   14    8 o  213.539   11.393  5462.75  572.397  5746.00  809.846  5180.00  809.136  217.567   15.873  206.189   16.764 11.37721 23.08612 
1 1 1    7   14    9 o  223.401   12.222  5996.34  642.306  6473.10  907.416  5517.60  909.303  230.403   16.794  211.972   18.347 18.43100 24.87296 
1 1 1    7   14   10 o  331.197   18.134 13439.57  1412.81 13685.80  1995.70 13192.20  2000.35  328.086   25.972  321.544   26.584 6.541412 37.16523 
1 1 1    7   14   11 o  246.395   13.400  7335.92  776.691  7736.50  1097.63  6934.20  1099.19  250.389   18.699  236.318   19.882 14.07127 27.29411 
1 1 1    7   14   12 o  203.520   10.865  4974.81  520.275  4889.80  734.542  5060.40  737.023  199.949   15.683  203.528   15.451 -3.579376 22.01559 
1 1 1    7   14   13 o  106.259   5.6136  1342.23  140.355  1249.20  197.945  1436.30  199.044  102.081   8.2832  109.603   7.7404 -7.522697 11.33692 
1 1 1    7   14   14 f  112.822   6.0474  1514.63  160.525  1443.20  226.752  1586.40  227.282  109.634   8.8337  115.060   8.4238 -5.426392 12.20634 
1 1 1    7   14   15 o  130.535   6.8732  2031.20  211.112  2263.10  298.749  1799.90  298.366  137.286   9.2698  122.072   10.452 15.21465 13.97009 
1 1 1    7   14   16 o   90.780   4.7833  979.119  102.176  1102.80  144.693  856.100  144.305   96.132   6.4108   84.499   7.3040 11.63374 9.718377 
1 1 1    7   14   17 o   17.224   1.8079   35.430   7.2433   29.900   10.369   40.700   10.123   15.652   2.9126   18.405   2.3853 -2.752425 3.764668 
1 1 1    7   14   18 o   94.072   5.1445  1052.55  113.846  1041.20  160.663  1064.00  161.346   93.204   7.3598   94.235   7.3079 -1.030670 10.37170 
1 1 1    7   14   19 o   73.757   4.0560  646.071   70.370  746.200   99.558  546.100   99.480   79.123   5.3602   67.487   6.3158 11.63570 8.283781 
1 1 1    7   14   20 o   85.521   4.6343  869.391   93.239  975.400  131.927  763.600  131.792   90.367   6.2203   79.757   7.0711 10.61057 9.417699 
1 1 1    7   14   21 o   45.060   2.7275  240.948   28.884  225.600   40.780  256.400   40.918   43.461   4.0191   46.385   3.7682 -2.924522 5.509364 
1 1 1    7   14   22 o   42.787   2.6781  217.319   26.922  225.000   38.028  209.600   38.120   43.431   3.7446   41.888   3.8987 1.543034 5.405682 
1 1 1    7   14   23 o   84.638   4.6779  852.550   93.131  862.800  131.707  842.300  131.707   84.813   6.6291   83.775   6.7142 1.037102 9.435309 
1 1 1    7   14   24 o  143.701   7.8016  2482.90  263.741  2526.20  372.785  2439.50  373.186  143.657   11.075  141.055   11.299 2.601791 15.82134 
1 1 1    7   14   25 o   49.174   2.9534  287.254   34.134  298.100   48.264  276.400   48.282   49.954   4.1287   48.064   4.2995 1.889523 5.960815 
1 1 1    7   14   26 o   41.606   2.5141  205.580   24.584  175.900   34.697  235.500   34.837   38.302   3.8903   44.449   3.3436 -6.147415 5.129708 
1 1 1    7   14   27 o  119.815   6.5461  1730.25  184.503  1780.30  260.927  1680.20  260.927  120.334   9.2536  116.735   9.5494 3.599464 13.29735 
1 1 1    7   14   28 o   92.904   5.1230  1035.68  111.954  1122.20  158.341  949.200  158.311   96.053   7.0299   88.041   7.6922 8.011940 10.42061 
1 1 1    7   14   29 o  148.660   8.2400  2725.06  288.125  2614.00  407.487  2836.10  407.454  141.998   12.273  148.520   11.713 -6.522064 16.96556 
1 1 1    7   14   30 o   34.779   2.3342  144.012   19.059  139.500   26.990  148.500   26.916   34.065   3.4008   35.179   3.2779 -1.113483 4.723314 
1 1 1    7   14   31 o   87.753   4.8807  930.227  100.736  960.200  142.516  900.300  142.408   88.182   6.8992   85.239   7.1409 2.942749 9.929309 
1 1 1    7   14   32 o   85.939   4.7860  894.191   96.738  913.900  137.015  874.600  136.603   85.808   6.8183   83.846   6.9625 1.962105 9.745001 
1 1 1    7   14   33 o   37.472   2.3622  167.434   20.795  181.100   29.535  154.000   29.282   38.811   3.2527   35.711   3.5182 3.099979 4.791455 
1 1 1    7   14   34 o   69.907   3.9606  589.665   65.112  625.100   92.127  554.300   92.036   71.278   5.5166   66.911   5.8849 4.366806 8.066257 
1 1 1    7   14   35 o   43.678   2.7016  228.289   27.727  234.200   39.250  222.400   39.174   43.955   3.8195   42.796   3.9200 1.159313 5.473125 
1 1 1    7   14   36 o   59.049   3.4624  420.603   48.066  418.200   68.021  423.000   67.931   58.220   4.9962   58.574   4.9579 -0.3544998 7.038620 
1 1 1    7   14   37 o   33.467   2.0824  133.777   16.375  160.900   23.254  107.100   23.062   36.577   2.7116   29.641   3.3540 6.935989 4.312989 
1 1 1    7   14   38 o   37.829   2.3562  171.652   20.943  193.300   29.686  150.200   29.552   39.905   3.1766   34.995   3.6289 4.910805 4.822865 
1 1 1    7   14   39 o   36.440   2.3424  159.690   20.049  180.800   28.395  138.700   28.314   38.510   3.1501   33.516   3.6359 4.993729 4.810671 
1 1 1    7   14   40 o   23.279   1.8858   65.084   10.277   66.800   14.604   63.400   14.465   23.385   2.6939   22.759   2.7471 0.6254044 3.847515 
1 1 1    7   14   41 o   22.478   1.7431   60.627   9.1796   70.900   13.061   50.600   12.904   24.178   2.3160   20.264   2.7693 3.914385 3.610106 
1 1 1    7   14   42 o   16.968   1.7738   34.752   7.0022   32.300   10.012   37.100   9.7963   16.113   2.7289   17.372   2.4566 -1.259026 3.671803 
1 1 1    7   14   43 f   18.868   1.8382   42.986   8.0859   56.200   11.398   29.600   11.472   21.481   2.2821   15.239   3.2848 6.241877 3.999693 
1 1 1    7   14   44 o   23.209   2.0053   65.146   10.882   80.300   15.317   49.700   15.464   25.604   2.5680   19.780   3.4353 5.823174 4.289050 
1 1 1    7   14   45 o   20.249   1.9563   49.753   9.2376   66.600   12.968   32.400   13.162   23.314   2.3894   15.784   3.6098 7.530462 4.328921 
1 1 1    7   14   46 o   10.893   1.8524   14.658   4.5942   18.300   6.2578   10.400   6.7663   12.089   2.2756   9.1593   2.8367 2.929840 3.636652 
1 1 1    7   14   47 o   7.5324   1.7168   7.0918   2.9856   4.4000   3.8799   11.000   4.6751   6.2719   2.1611   9.3318   2.1637 -3.059891 3.058115 
1 1 1    7   14   48 o   9.4030   2.3967   11.300   5.3374   11.300   5.3374   0.0000   0.0000   9.4030   2.3967  ?   ?  0.000000 2.396704 
1 1 1    7   14   49 o   7.5788   2.2336   7.2000   4.2687   7.2000   4.2687   0.0000   0.0000   7.5788   2.2336  ?   ?  0.000000 2.233624 
1 1 1    7   14   50 o   12.790   2.4933   21.000   7.2598   21.000   7.2598   0.0000   0.0000   12.790   2.4933  ?   ?  0.000000 2.493303 
1 1 1    7   14   51 o   14.339   2.5769   26.600   8.4045   26.600   8.4045   0.0000   0.0000   14.339   2.5769  ?   ?  0.000000 2.576893 
1 1 1    7   14   52 o   10.364   2.4482   14.200   5.8961   14.200   5.8961   0.0000   0.0000   10.364   2.4482  ?   ?  0.000000 2.448227 
1 1 1    7   14   53 o   16.418   2.7188   36.600   10.172   36.600   10.172   0.0000   0.0000   16.418   2.7188  ?   ?  0.000000 2.718838 
1 1 1    7   14   54 o   4.1813   1.7270   0.9000   2.7691   0.9000   2.7691   0.0000   0.0000   4.1813   1.7270  ?   ?  0.000000 1.726967 
1 1 1    7   14   55 o   4.4430   1.8995   0.5000   3.5372   0.5000   3.5372   0.0000   0.0000   4.4430   1.8995  ?   ?  0.000000 1.899480 
1 1 1    7   14   56 o   8.4774   2.8411   10.600   6.7001   10.600   6.7001   0.0000   0.0000   8.4774   2.8411  ?   ?  0.000000 2.841129 
1 1 1    7   15    0 o  261.563   20.297  8352.80  1236.29  8352.80  1236.29  8352.80  1236.29  261.563   20.297  261.563   20.297 0.000000 0.000000 
1 1 1    7   15    1 o   88.226   4.6667  923.196   96.876  799.500  136.836  1047.50  137.172   81.812   7.1551   93.840   6.2257 -12.02841 9.484433 
1 1 1    7   15    2 o  201.662   10.505  4857.65  498.536  4253.30  704.632  5463.40  705.443  187.179   16.099  212.940   14.109 -25.76138 21.40663 
1 1 1    7   15    3 o  177.295   9.3701  3748.71  390.893  3436.90  552.597  4061.00  553.016  168.688   13.999  183.773   12.824 -15.08490 18.98514 
1 1 1    7   15    4 o  151.840   8.1023  2745.10  289.457  2669.90  409.218  2820.40  409.492  149.056   11.721  153.296   11.394 -4.240402 16.34617 
1 1 1    7   15    5 o  429.341   21.643 22721.49  2187.19 27380.80  3096.77 18083.90  3089.54  464.524   28.368  369.636   35.847 94.88718 45.71355 
1 1 1    7   15    6 o  194.517   10.392  4524.85  475.597  4504.80  672.620  4544.90  672.571  192.806   14.889  193.690   14.818 -0.8847504 21.00573 
1 1 1    7   15    7 o  142.145   7.6257  2406.05  255.026  2385.40  360.693  2426.70  360.628  140.903   10.926  142.147   10.825 -1.243805 15.38070 
1 1 1    7   15    8 o  125.816   6.4626  1882.03  191.354  2185.10  271.276  1581.90  269.959  135.263   8.5370  114.717   10.068 20.54579 13.19979 
1 1 1    7   15    9 o   61.217   3.5982  444.630   51.785  502.800   73.153  386.200   73.317   64.998   4.8001   56.829   5.5337 8.168976 7.325493 
1 1 1    7   15   10 o   81.496   4.5526  788.519   87.260  835.500  123.314  741.400  123.494   83.693   6.2856   78.752   6.7047 4.940498 9.190273 
1 1 1    7   15   11 o  196.213   10.589  4622.15  488.791  4933.20  691.032  4310.70  691.477  201.236   14.643  187.585   15.757 13.65121 21.50987 
1 1 1    7   15   12 o  158.877   8.2800  3014.94  309.561  3661.50  438.063  2370.00  437.510  174.491   10.683  139.438   13.455 35.05287 17.18010 
1 1 1    7   15   13 o  177.133   9.6094  3762.06  400.432  4155.70  566.073  3367.80  566.521  185.036   13.039  165.892   14.611 19.14372 19.58309 
1 1 1    7   15   14 o  170.706   9.1575  3492.54  367.789  3932.50  520.170  3052.70  520.094  180.119   12.304  157.937   14.094 22.18199 18.70845 
1 1 1    7   15   15 o  124.447   6.7153  1846.40  196.609  1850.00  278.127  1842.80  277.967  123.953   9.5764  123.707   9.5906 0.2462692 13.55312 
1 1 1    7   15   16 o  141.806   7.4014  2401.37  246.981  2687.40  349.576  2116.30  348.992  149.369   9.9683  132.087   11.298 17.28259 15.06675 
1 1 1    7   15   17 o  219.174   11.447  5809.37  590.405  6550.60  835.598  5070.40  834.321  230.585   15.435  201.403   17.724 29.18163 23.50270 
1 1 1    7   15   18 o  124.154   6.6801  1839.03  195.122  1801.60  275.498  1876.70  276.392  122.200   9.6254  124.783   9.4502 -2.583389 13.48905 
1 1 1    7   15   19 o  128.355   6.8155  1966.58  205.832  2129.30  291.286  1804.30  290.895  132.956   9.3371  122.101   10.182 10.85465 13.81502 
1 1 1    7   15   20 o   44.781   2.7465  237.997   28.903  259.300   40.878  216.700   40.873   46.653   3.7421   42.577   4.1168 4.076420 5.563368 
1 1 1    7   15   21 f   79.614   4.3675  753.507   81.795  832.000  115.744  675.200  115.607   83.443   5.9124   75.009   6.5939 8.434250 8.856450 
1 1 1    7   15   22 f   84.484   4.6589  849.231   92.585  899.200  130.960  799.300  130.911   86.646   6.4468   81.584   6.8590 5.062553 9.413114 
1 1 1    7   15   23 o  250.593   13.811  7780.80  814.115  8352.80  1151.33  7208.80  1151.34  254.058   19.337  234.065   21.056 19.99280 28.58771 
1 1 1    7   15   24 o   50.859   3.0127  307.239   36.020  327.100   50.955  287.400   50.926   52.346   4.1565   49.004   4.4495 3.342430 6.088866 
1 1 1    7   15   25 o  112.980   6.1858  1530.44  164.401  1600.60  232.432  1460.20  232.564  114.729   8.6430  109.386   9.0859 5.342758 12.54011 
1 1 1    7   15   26 o  129.947   6.9843  2037.40  213.529  2263.10  302.079  1812.00  301.871  135.777   9.4813  120.794   10.694 14.98359 14.29156 
1 1 1    7   15   27 o   30.650   2.1731  111.719   15.626  117.800   22.064  105.600   22.134   31.377   3.0150   29.663   3.2112 1.713497 4.404750 
1 1 1    7   15   28 o   79.486   4.4445  756.598   83.087  779.600  117.509  733.600  117.498   80.145   6.2588   77.659   6.4660 2.485558 8.999022 
1 1 1    7   15   29 o   60.857   3.4932  442.283   49.989  460.700   70.727  423.900   70.663   61.786   4.8876   59.193   5.1054 2.593315 7.067772 
1 1 1    7   15   30 o   19.693   1.7396   46.254   8.0065   52.000   11.369   40.600   11.277   20.810   2.3551   18.300   2.6899 2.509586 3.575194 
1 1 1    7   15   31 o   53.486   3.1655  342.051   39.802  340.900   56.307  343.200   56.270   53.047   4.5387   53.233   4.5191 -0.1858940 6.404883 
1 1 1    7   15   32 o   39.942   2.6007  190.458   24.395  176.100   34.571  204.700   34.430   38.136   3.8936   41.220   3.5726 -3.084892 5.284248 
1 1 1    7   15   33 o   99.864   5.5809  1222.74  131.080  1273.10  185.476  1172.50  185.273  100.075   7.9133   95.700   8.2802 4.374908 11.45348 
1 1 1    7   15   34 o   78.935   4.4774  756.548   83.112  754.600  117.491  758.500  117.586   77.690   6.4630   77.900   6.4503 -0.2097092 9.131132 
1 1 1    7   15   35 o   60.992   3.5515  448.499   50.929  452.800   72.034  444.200   72.015   60.640   5.0773   60.032   5.1293 0.6075058 7.217258 
1 1 1    7   15   36 o   10.452   1.5898   13.243   3.8002   14.400   5.5188   12.200   5.2406   10.804   2.2368   9.9280   2.2831 0.8762980 3.196192 
1 1 1    7   15   37 o   60.348   3.5400  441.948   50.225  443.600   71.069  440.300   70.990   59.610   5.0980   59.377   5.1129 0.2324600 7.220183 
1 1 1    7   15   38 o   55.347   3.2768  372.029   42.635  387.200   60.337  356.900   60.253   55.713   4.6282   53.346   4.8357 2.367222 6.693619 
1 1 1    7   15   39 o   10.137   1.8005   12.600   4.1519   8.3000   6.0201   16.500   5.7337   8.3860   2.6864   11.561   2.1802 -3.175416 3.459757 
1 1 1    7   15   40 o   37.614   2.2929  170.448   20.269  202.400   28.756  138.900   28.574   40.716   3.0123   33.408   3.6833 7.308353 4.758181 
1 1 1    7   15   41 o   27.446   1.9933   90.656   12.830   98.300   18.197   83.100   18.093   28.351   2.7529   25.958   3.0074 2.393080 4.077151 
1 1 1    7   15   42 o   17.144   1.6763   35.395   6.6994   38.000   9.5780   32.900   9.3740   17.608   2.3633   16.323   2.5126 1.284887 3.449399 
1 1 1    7   15   43 o   10.208   1.6865   12.762   3.9232   11.600   5.7106   13.800   5.3989   9.6143   2.4941   10.513   2.2431 -0.8986845 3.354435 
1 1 1    7   15   44 o   25.206   2.1244   77.006   12.526  100.100   17.618   53.400   17.813   28.572   2.6412   20.335   3.8507 8.237230 4.669455 
1 1 1    7   15   45 o   29.526   2.2094  106.085   15.292  129.600   21.588   82.400   21.666   32.342   2.8560   25.302   3.7389 7.039661 4.704899 
1 1 1    7   15   46 o   8.6239   1.8853   9.3032   3.7321   14.300   5.1120   3.6000   5.4614   10.691   2.0999   6.5147   2.5112 4.176137 3.273485 
1 1 1    7   15   47 o   25.605   2.0518   80.147   12.302  102.700   17.379   57.500   17.415   28.727   2.5897   20.883   3.6653 7.844107 4.487889 
1 1 1    7   15   48 o   11.185   2.4343   16.000   6.2468   16.000   6.2468   0.0000   0.0000   11.185   2.4343  ?   ?  0.000000 2.434271 
1 1 1    7   15   49 o   9.9781   2.4374   12.800   5.6938   12.800   5.6938   0.0000   0.0000   9.9781   2.4374  ?   ?  0.000000 2.437430 
1 1 1    7   15   50 o   4.2547   1.7478   0.8000   2.8170   0.8000   2.8170   0.0000   0.0000   4.2547   1.7478  ?   ?  0.000000 1.747845 
1 1 1    7   15   51 o   17.081   2.6391   37.800   10.301   37.800   10.301   0.0000   0.0000   17.081   2.6391  ?   ?  0.000000 2.639066 
1 1 1    7   15   52 o   12.458   2.5694   20.700   7.3078   20.700   7.3078   0.0000   0.0000   12.458   2.5694  ?   ?  0.000000 2.569411 
1 1 1    7   15   53 o   2.9485   1.3350  -1.0000   1.9978  -1.0000   1.9978   0.0000   0.0000   2.9485   1.3350  ?   ?  0.000000 1.334987 
1 1 1    7   15   54 o   10.725   2.6923   16.400   6.8084   16.400   6.8084   0.0000   0.0000   10.725   2.6923  ?   ?  0.000000 2.692334 
1 1 1    7   15   55 o   3.8900   1.7453  -1.0000   3.3266  -1.0000   3.3266   0.0000   0.0000   3.8900   1.7453  ?   ?  0.000000 1.745313 
1 1 1    7   15   56 o   6.5839   2.4957   5.3000   5.3361   5.3000   5.3361   0.0000   0.0000   6.5839   2.4957  ?   ?  0.000000 2.495680 
1 1 1    7   16    0 o   57.899   4.8825  404.600   65.661  404.600   65.661  404.600   65.661   57.899   4.8825   57.899   4.8825 0.000000 0.000000 
1 1 1    7   16    1 o   43.121   2.5311  220.430   25.660  261.500   36.387  179.800   36.191   46.922   3.3052   38.789   4.0091 8.133488 5.195891 
1 1 1    7   16    2 o  178.066   9.5238  3786.17  399.003  3886.70  564.229  3685.60  564.323  179.444   13.413  174.603   13.800 4.841019 19.24394 
1 1 1    7   16    3 o  133.717   7.0985  2127.22  223.333  1973.40  315.652  2281.40  316.030  128.184   10.521  138.039   9.7583 -9.855103 14.34979 
1 1 1    7   16    4 f  214.688   11.132  5523.00  562.431  4688.40  794.896  6359.70  795.900  195.657   17.386  229.168   14.786 -33.51166 22.82361 
1 1 1    7   16    5 o  124.191   6.6383  1834.39  193.970  1685.10  274.216  1983.90  274.413  118.472   9.8925  128.770   9.0829 -10.29739 13.42980 
1 1 1    7   16    6 o   41.360   2.5539  202.880   24.820  216.000   35.265  190.000   34.940   42.597   3.5379   39.910   3.7516 2.687462 5.156641 
1 1 1    7   16    7 o  154.374   8.2325  2842.98  299.019  2782.90  422.099  2903.50  423.658  151.891   11.863  155.224   11.643 -3.333237 16.62181 
1 1 1    7   16    8 o  299.221   16.184 10925.76  1139.24 10820.10  1608.93 11032.00  1613.33  292.609   23.483  295.624   23.300 -3.014679 33.08116 
1 1 1    7   16    9 o  272.694   14.189  9019.74  910.484  8298.50  1284.82  9747.30  1290.44  257.262   21.342  280.167   19.629 -22.90488 28.99684 
1 1 1    7   16   10 o  130.699   7.1881  2036.19  220.992  2262.40  312.228  1809.10  312.834  137.275   9.6944  122.387   10.940 14.88761 14.61732 
1 1 1    7   16   11 o  102.827   5.6408  1257.39  136.442  1292.30  192.714  1222.30  193.203  103.894   7.9148  100.978   8.1727 2.916290 11.37704 
1 1 1    7   16   12 o  204.507   11.168  5038.40  537.286  5444.10  759.275  4631.50  760.401  210.770   15.361  193.626   16.797 17.14424 22.76225 
1 1 1    7   16   13 o   63.841   3.5636  483.612   53.507  583.300   75.742  384.300   75.599   70.028   4.6061   56.629   5.7325 13.39917 7.353742 
1 1 1    7   16   14 o  278.297   15.405  9502.89  1008.43 10135.20  1424.97  8868.50  1427.31  282.467   21.526  262.608   23.258 19.85886 31.69024 
1 1 1    7   16   15 o  127.665   6.6815  1943.17  200.720  2389.90  284.047  1497.60  283.677  141.202   8.5594  111.059   10.960 30.14275 13.90629 
1 1 1    7   16   16 o   73.533   4.0709  642.101   70.412  675.500   99.726  608.900   99.429   75.232   5.6550   71.362   5.9549 3.870361 8.212129 
1 1 1    7   16   17 o  234.068   12.625  6661.69  695.244  6884.90  983.578  6438.80  982.870  234.607   17.889  226.369   18.550 8.237701 25.77079 
1 1 1    7   16   18 o  103.478   5.6559  1275.08  137.679  1286.30  194.459  1263.80  194.958  103.493   8.0197  102.559   8.1165 0.9349518 11.41021 
1 1 1    7   16   19 o   74.312   4.0906  655.993   71.505  733.700  101.193  578.500  101.053   78.420   5.4994   69.475   6.2257 8.945190 8.306797 
1 1 1    7   16   20 o  163.002   8.6406  3192.65  331.396  3461.50  468.973  2924.50  468.357  168.473   11.864  154.302   12.975 14.17102 17.58115 
1 1 1    7   16   21 o  149.752   7.8767  2689.71  277.554  2999.40  392.832  2381.00  392.209  157.172   10.647  139.413   12.032 17.75893 16.06637 
1 1 1    7   16   22 o   63.295   3.5810  475.955   53.302  529.900   75.412  422.100   75.349   66.637   4.8252   59.339   5.4379 7.297684 7.270029 
1 1 1    7   16   23 o   62.837   3.5641  469.260   52.666  519.900   74.510  418.700   74.451   65.981   4.8155   59.080   5.3962 6.900681 7.232448 
1 1 1    7   16   24 o  184.224   10.080  4144.90  436.851  4229.60  617.617  4060.10  617.985  182.987   14.410  178.987   14.753 4.000839 20.62282 
1 1 1    7   16   25 o   92.714   5.1251  1027.82  111.769  1084.50  158.031  971.100  158.100   94.700   7.1190   89.449   7.5557 5.251282 10.38119 
1 1 1    7   16   26 o   91.906   5.0763  1011.55  109.739  1012.40  155.088  1010.70  155.301   91.280   7.2550   91.197   7.2720 0.8340454E-01 10.27218 
1 1 1    7   16   27 o   40.891   2.5802  198.897   24.786  193.800   35.043  204.000   35.064   40.197   3.7345   41.266   3.6354 -1.069107 5.211830 
1 1 1    7   16   28 o   62.817   3.6263  471.263   53.562  474.500   75.597  468.000   75.901   62.673   5.1537   62.223   5.2138 0.4501305 7.331071 
1 1 1    7   16   29 o   54.838   3.2145  358.935   41.443  371.400   58.644  346.500   58.575   55.499   4.5139   53.552   4.6790 1.946720 6.501421 
1 1 1    7   16   30 o  112.197   6.2306  1539.78  164.422  1507.10  232.454  1572.50  232.602  108.870   9.1262  111.397   8.9173 -2.527145 12.75956 
1 1 1    7   16   31 o   52.571   3.1000  330.476   38.313  342.700   54.237  318.300   54.129   53.218   4.3541   51.227   4.5212 1.991211 6.276841 
1 1 1    7   16   32 o   77.515   4.4746  726.967   81.556  681.800  115.487  771.900  115.188   73.974   6.6836   79.010   6.2244 -5.035812 9.133100 
1 1 1    7   16   33 o   52.109   3.1067  325.387   38.053  327.700   53.966  323.100   53.667   51.898   4.4465   51.528   4.4544 0.3705215 6.293894 
1 1 1    7   16   34 o   61.868   3.5792  460.984   52.066  474.000   73.676  448.000   73.588   62.136   5.0655   60.327   5.2170 1.808334 7.271636 
1 1 1    7   16   35 o   21.800   1.8197   56.776   9.2815   59.600   13.183   54.000   13.070   22.216   2.5599   21.108   2.6827 1.107466 3.708082 
1 1 1    7   16   36 o   36.853   2.4390  162.718   21.105  149.400   29.866  176.000   29.827   34.981   3.6703   38.096   3.3496 -3.114773 4.969033 
1 1 1    7   16   37 o   7.1778   1.6481   6.3617   2.7345   6.2000   4.0275   6.5000   3.7246   7.1908   2.1815   7.2938   2.0677 -0.1029902 3.005736 
1 1 1    7   16   38 o   63.714   3.7200  497.814   55.725  511.100   78.916  484.600   78.700   63.355   5.3244   61.558   5.4712 1.796848 7.634333 
1 1 1    7   16   39 f   27.792   1.8784   92.548   12.255  111.800   17.471   73.900   17.195   30.410   2.4538   24.517   3.0349 5.892817 3.902772 
1 1 1    7   16   40 o   40.582   2.5897  199.576   24.687  204.100   35.006  195.100   34.819   40.510   3.7004   39.561   3.7730 0.9491768 5.284730 
1 1 1    7   16   41 o   31.931   2.2064  123.070   16.535  128.000   23.455  118.200   23.313   32.224   3.1216   30.904   3.2430 1.320057 4.501264 
1 1 1    7   16   42 o   24.092   1.9122   69.921   10.789   72.200   15.358   67.700   15.160   24.240   2.7307   23.442   2.7937 0.7978020 3.906558 
1 1 1    7   16   43 o   28.137   1.9930   95.469   13.156  104.900   18.738   86.300   18.476   29.234   2.7465   26.387   3.0196 2.847296 4.081855 
1 1 1    7   16   44 o   25.379   1.7600   77.494   10.482   95.300   14.955   60.300   14.696   27.987   2.2829   22.006   2.8987 5.980509 3.689748 
1 1 1    7   16   45 o   7.8816   1.7819   7.7486   3.2385   9.1000   4.5025   6.3000   4.6616   8.5104   2.2180   7.2910   2.3669 1.219302 3.243691 
1 1 1    7   16   46 o   14.716   1.7297   26.380   5.8962   23.900   8.1524   29.100   8.5378   13.737   2.6086   15.246   2.4549 -1.508661 3.582031 
1 1 1    7   16   47 o   14.662   1.9233   26.471   6.4984   43.600   9.0696   8.4000   9.3155   18.821   2.0753   8.9040   3.3137 9.916533 3.909872 
1 1 1    7   16   48 o   13.612   2.5094   23.600   7.7687   23.600   7.7687   0.0000   0.0000   13.612   2.5094  ?   ?  0.000000 2.509352 
1 1 1    7   16   49 o   4.6300   1.7971   1.7000   2.8122   1.7000   2.8122   0.0000   0.0000   4.6300   1.7971  ?   ?  0.000000 1.797149 
1 1 1    7   16   50 o   16.575   2.5967   35.200   9.8292   35.200   9.8292   0.0000   0.0000   16.575   2.5967  ?   ?  0.000000 2.596671 
1 1 1    7   16   51 o   4.0984   1.6927   0.7000   2.6601   0.7000   2.6601   0.0000   0.0000   4.0984   1.6927  ?   ?  0.000000 1.692677 
1 1 1    7   16   52 o  ?   ?   -5.9000   1.0194  -5.9000   1.0194   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   16   53 o   26.886   3.4318  106.800   21.291  106.800   21.291   0.0000   0.0000   26.886   3.4318  ?   ?  0.000000 3.431773 
1 1 1    7   16   54 o   9.6760   2.9148   13.800   7.2089   13.800   7.2089   0.0000   0.0000   9.6760   2.9148  ?   ?  0.000000 2.914827 
1 1 1    7   16   55 o   1.7482   0.8759  -4.3000   1.5433  -4.3000   1.5433   0.0000   0.0000   1.7482   0.8759  ?   ?  0.000000 0.8758668 
1 1 1    7   17    0 o   29.529   3.1146  106.400   21.165  106.400   21.165  106.400   21.165   29.529   3.1146   29.529   3.1146 0.000000 0.000000 
1 1 1    7   17    1 o  142.743   7.6116  2427.44  255.635  2280.90  361.387  2574.20  361.659  137.625   11.218  146.422   10.530 -8.797241 15.38592 
1 1 1    7   17    2 o  190.725   10.409  4357.88  467.011  3945.80  660.998  4768.60  659.910  179.778   15.729  198.339   14.184 -18.56029 21.17948 
1 1 1    7   17    3 o  212.349   11.345  5414.45  566.812  5632.30  801.774  5196.80  801.412  214.881   15.914  206.068   16.611 8.812531 23.00400 
1 1 1    7   17    4 o   46.051   2.8048  251.542   30.356  258.100   42.954  245.000   42.905   46.548   3.9450   45.331   4.0508 1.216629 5.654392 
1 1 1    7   17    5 o  145.057   7.7748  2508.87  265.343  2413.80  375.197  2604.00  375.306  141.496   11.324  147.111   10.881 -5.615372 15.70458 
1 1 1    7   17    6 o  161.623   8.7833  3121.67  333.955  3337.70  471.883  2904.90  472.686  166.262   12.102  154.764   13.056 11.49869 17.80253 
1 1 1    7   17    7 o   45.813   2.7828  248.952   29.962  242.900   42.207  255.100   42.539   45.136   4.0015   46.272   3.9303 -1.136063 5.608920 
1 1 1    7   17    8 o  279.092   15.202  9492.37  998.093  9602.60  1409.45  9381.50  1413.59  276.265   21.782  272.777   22.137 3.488190 31.05639 
1 1 1    7   17    9 o   87.566   4.8804  910.961  100.514  1007.50  142.066  814.200  142.230   91.881   6.5917   82.424   7.3859 9.456993 9.899623 
1 1 1    7   17   10 f   31.975   1.9903  121.246   14.953  165.500   21.258   77.900   21.038   37.346   2.4236   25.412   3.6073 11.93445 4.345838 
1 1 1    7   17   11 o   78.716   4.3651  735.826   80.820  837.900  114.310  633.800  114.282   83.840   5.8097   72.725   6.7311 11.11504 8.891578 
1 1 1    7   17   12 o  116.368   6.3639  1613.19  174.209  1702.50  246.170  1523.60  246.569  119.077   8.8174  112.489   9.3677 6.588226 12.86468 
1 1 1    7   17   13 o  282.095   15.176  9757.02  1007.18  9409.30  1421.97 10107.10  1426.79  271.199   22.405  281.881   21.600 -10.68176 31.12133 
1 1 1    7   17   14 o   37.122   2.4194  163.550   21.093  178.600   29.830  148.500   29.830   38.720   3.2938   35.241   3.6368 3.479134 4.906662 
1 1 1    7   17   15 o   28.722   2.0638   97.968   13.904  103.000   19.725   93.000   19.601   29.376   2.8807   27.881   3.0257 1.494143 4.177683 
1 1 1    7   17   16 o  192.077   8.9743  4415.37  407.040  5547.50  576.866  3292.80  574.426  214.111   11.451  163.277   15.069 50.83447 18.92600 
1 1 1    7   17   17 o  122.501   5.7142  1781.93  165.294  2271.80  234.367  1297.10  233.159  137.901   7.2224  103.547   9.6467 34.35378 12.05082 
1 1 1    7   17   18 o   63.460   3.3832  477.828   50.514  618.300   71.571  338.400   71.305   72.125   4.2208   53.064   5.7843 19.06089 7.160518 
1 1 1    7   17   19 o   46.915   2.8240  261.218   31.139  282.500   44.071  240.000   44.004   48.691   3.8648   44.811   4.2079 3.879452 5.713396 
1 1 1    7   17   20 o   84.183   4.6599  843.052   92.271  849.100  130.473  837.000  130.508   84.165   6.6182   83.550   6.6706 0.6155167 9.396683 
1 1 1    7   17   21 o  145.974   7.9835  2560.59  274.146  2658.60  387.232  2462.10  388.172  147.522   11.200  141.717   11.704 5.805038 16.19948 
1 1 1    7   17   22 f  209.995   11.056  5385.76  546.323  4954.50  770.979  5820.70  774.268  197.245   16.710  215.086   15.345 -17.84142 22.68708 
1 1 1    7   17   23 o  128.017   6.9150  1968.18  208.259  1918.90  294.324  2017.60  294.723  125.238   10.037  128.547   9.7828 -3.308853 14.01561 
1 1 1    7   17   24 o   28.641   2.0998   97.524   14.103  104.700   19.911   90.300   19.977   29.596   2.8858   27.430   3.1409 2.165697 4.265286 
1 1 1    7   17   25 o   96.287   5.3159  1110.77  120.399  1130.50  170.168  1091.00  170.371   96.445   7.5317   94.679   7.6868 1.766235 10.76166 
1 1 1    7   17   26 o   64.603   3.6933  497.701   56.108  515.500   79.347  479.900   79.351   65.445   5.1767   63.082   5.3784 2.362930 7.464893 
1 1 1    7   17   27 o   57.789   3.3540  398.238   45.573  377.700   64.431  418.800   64.469   55.952   4.9269   59.001   4.6653 -3.049622 6.785220 
1 1 1    7   17   28 o  103.132   5.7176  1288.01  138.697  1383.40  196.136  1192.60  196.158  105.706   7.9151   97.707   8.5892 7.999321 11.68002 
1 1 1    7   17   29 o   42.020   2.6549  210.469   26.208  201.100   37.102  219.800   37.025   40.844   3.8940   42.757   3.7038 -1.912899 5.374126 
1 1 1    7   17   30 o   72.181   4.0864  626.636   69.364  616.200   98.030  637.100   98.161   70.872   5.9115   72.116   5.8137 -1.243088 8.291271 
1 1 1    7   17   31 o   56.027   3.2923  376.001   43.366  372.000   61.335  380.000   61.323   55.306   4.7423   55.920   4.6873 -0.6140480 6.667850 
1 1 1    7   17   32 o   18.794   1.6890   42.175   7.4158   49.400   10.581   35.200   10.396   20.274   2.2480   16.996   2.6792 3.278601 3.497350 
1 1 1    7   17   33 o   35.534   2.3021  150.684   19.212  160.900   27.259  140.600   27.083   36.549   3.1904   34.098   3.4092 2.450985 4.669232 
1 1 1    7   17   34 o   43.736   2.7204  229.051   27.956  227.700   39.552  230.400   39.519   43.285   3.9119   43.552   3.8834 -0.2668915 5.512159 
1 1 1    7   17   35 o   52.780   3.1517  335.250   39.101  325.300   55.297  345.200   55.297   51.444   4.6006   53.069   4.4538 -1.624950 6.403300 
1 1 1    7   17   36 o   29.555   2.1205  104.550   14.701  102.500   20.793  106.600   20.787   29.045   3.0785   29.644   3.0114 -0.5987873 4.306467 
1 1 1    7   17   37 o   26.984   1.9947   87.224   12.620   93.700   17.884   80.800   17.811   27.797   2.7612   25.734   2.9866 2.063246 4.067445 
1 1 1    7   17   38 o   44.064   2.7407  234.835   28.376  255.200   40.144  214.500   40.114   45.469   3.7730   41.471   4.1521 3.997982 5.610269 
1 1 1    7   17   39 o   34.543   2.3092  143.822   18.727  153.100   26.524  134.600   26.445   35.314   3.2160   33.001   3.4443 2.312653 4.712303 
1 1 1    7   17   40 o   62.095   3.5327  476.306   51.584  544.300   73.056  408.700   72.847   65.226   4.7764   55.669   5.6184 9.556679 7.374360 
1 1 1    7   17   41 o   18.271   1.6010   40.087   6.8378   49.900   9.7528   30.600   9.5894   20.299   2.0634   15.687   2.6853 4.611594 3.386487 
1 1 1    7   17   42 o   36.324   2.2386  159.417   19.108  189.400   27.129  129.900   26.918   39.289   2.9457   32.190   3.6031 7.099022 4.653927 
1 1 1    7   17   43 o   19.091   1.6817   43.871   7.5040   51.200   10.708   36.800   10.519   20.491   2.2502   17.211   2.6749 3.279303 3.495520 
1 1 1    7   17   44 o   18.643   1.6484   41.901   7.1816   49.800   10.255   34.300   10.060   20.188   2.1861   16.568   2.6616 3.620424 3.444271 
1 1 1    7   17   45 o   48.176   2.7593  286.887   31.259  343.900   44.309  230.400   44.104   51.922   3.6369   41.579   4.5673 10.34294 5.838432 
1 1 1    7   17   46 o   7.9659   1.8093   7.9467   3.3258   7.4000   4.5076   8.6000   4.9273   7.7225   2.3001   8.2800   2.3882 -0.5574980 3.315725 
1 1 1    7   17   47 o   28.909   2.2423  102.960   15.187  121.200   21.385   84.400   21.572   30.914   2.9659   25.257   3.7291 5.657198 4.764755 
1 1 1    7   17   48 o   10.413   2.4132   13.900   5.8175   13.900   5.8175   0.0000   0.0000   10.413   2.4132  ?   ?  0.000000 2.413185 
1 1 1    7   17   49 o   35.116   3.6668  164.200   29.957  164.200   29.957   0.0000   0.0000   35.116   3.6668  ?   ?  0.000000 3.666759 
1 1 1    7   17   50 o   21.029   2.7947   57.200   13.534   57.200   13.534   0.0000   0.0000   21.029   2.7947  ?   ?  0.000000 2.794650 
1 1 1    7   17   51 o   15.343   2.5823   30.900   9.0232   30.900   9.0232   0.0000   0.0000   15.343   2.5823  ?   ?  0.000000 2.582272 
1 1 1    7   17   52 o   6.3194   2.1378   4.9000   3.7936   4.9000   3.7936   0.0000   0.0000   6.3194   2.1378  ?   ?  0.000000 2.137758 
1 1 1    7   17   53 o   13.265   2.6565   24.500   8.0311   24.500   8.0311   0.0000   0.0000   13.265   2.6565  ?   ?  0.000000 2.656469 
1 1 1    7   17   54 o   9.8865   2.7314   14.200   6.5881   14.200   6.5881   0.0000   0.0000   9.8865   2.7314  ?   ?  0.000000 2.731416 
1 1 1    7   17   55 f   8.6466   2.5148   10.700   5.4431   10.700   5.4431   0.0000   0.0000   8.6466   2.5148  ?   ?  0.000000 2.514812 
1 1 1    7   18    0 o  305.443   24.182 11597.60  1718.99 11597.60  1718.99 11597.60  1718.99  305.443   24.182  305.443   24.182 0.000000 0.000000 
1 1 1    7   18    1 o  322.815   15.742 12671.81  1199.97 15602.10  1701.98  9775.50  1692.09  354.197   20.436  275.504   26.330 78.69299 33.33020 
1 1 1    7   18    2 o   67.922   3.7874  547.329   60.503  593.400   85.631  501.400   85.498   70.591   5.1731   64.799   5.6440 5.792931 7.656091 
1 1 1    7   18    3 o  180.315   9.6402  3893.25  408.982  4004.10  578.523  3782.50  578.252  181.637   13.587  176.365   14.000 5.272171 19.50889 
1 1 1    7   18    4 o  172.251   8.4723  3534.40  344.609  4233.50  488.140  2839.80  486.565  187.623   11.067  152.770   13.631 34.85352 17.55787 
1 1 1    7   18    5 o   88.859   4.8584  937.801  101.557  978.500  143.710  897.200  143.538   90.525   6.7719   86.615   7.0799 3.910492 9.797143 
1 1 1    7   18    6 o  209.669   11.385  5292.08  561.552  5579.00  793.568  5004.30  794.742  213.403   15.861  201.584   16.850 11.81854 23.14116 
1 1 1    7   18    7 o  156.574   8.3087  2928.89  306.097  3613.30  432.984  2245.10  432.790  173.337   10.630  135.583   13.706 37.75356 17.34496 
1 1 1    7   18    8 o  130.884   7.1796  2042.90  221.050  2245.60  312.384  1839.60  312.841  136.690   9.7418  123.377   10.848 13.31319 14.58043 
1 1 1    7   18    9 o  286.009   15.807 10030.57  1063.41 10728.60  1502.84  9330.60  1504.93  290.828   22.047  269.515   23.894 21.31268 32.51203 
1 1 1    7   18   10 o  150.422   8.1161  2705.00  287.216  2719.50  405.504  2690.40  406.868  149.885   11.546  149.043   11.653 0.8421631 16.40452 
1 1 1    7   18   11 o   73.721   4.1551  645.389   72.037  662.500  101.762  628.200  101.991   74.491   5.8318   72.499   6.0118 1.991989 8.375638 
1 1 1    7   18   12 o   89.202   5.0314  946.144  105.547  1059.10  149.105  832.700  149.428   94.140   6.7523   83.253   7.6878 10.88723 10.23210 
1 1 1    7   18   13 o   31.912   2.2096  120.906   16.548  142.100   23.400   99.700   23.406   34.548   2.8950   28.818   3.5121 5.729635 4.551480 
1 1 1    7   18   14 o   50.630   2.8468  304.019   33.897  365.600   48.048  243.000   47.828   55.462   3.6898   45.062   4.5575 10.40061 5.863874 
1 1 1    7   18   15 o  108.707   5.6660  1406.55  144.939  1588.00  205.259  1226.10  204.692  115.171   7.5900  100.907   8.6748 14.26394 11.52651 
1 1 1    7   18   16 o   29.416   2.0037  102.714   13.835  123.000   19.682   82.900   19.452   32.151   2.6152   26.281   3.2005 5.870216 4.133060 
1 1 1    7   18   17 o  229.481   12.109  6402.67  653.846  7100.20  925.366  5707.20  923.992  238.787   16.513  212.499   18.601 26.28813 24.87326 
1 1 1    7   18   18 o  129.803   7.0812  2014.85  216.226  2098.60  305.509  1930.80  306.071  131.699   9.8961  126.146   10.367 5.553497 14.33197 
1 1 1    7   18   19 o   24.092   1.9042   69.009   10.745   61.700   15.154   76.400   15.238   22.656   2.8989   25.289   2.5882 -2.632154 3.886171 
1 1 1    7   18   20 o   80.785   4.4160  776.287   83.921  864.100  118.759  688.700  118.606   84.997   5.9545   75.694   6.7050 9.303596 8.967379 
1 1 1    7   18   21 o   88.424   4.7216  931.024   98.230  1063.30  139.064  799.300  138.773   94.219   6.2866   81.412   7.2961 12.80712 9.630857 
1 1 1    7   18   22 o   71.727   4.0204  612.211   67.821  643.400   95.973  581.100   95.854   73.277   5.5886   69.560   5.8910 3.717209 8.120147 
1 1 1    7   18   23 o  196.436   10.796  4751.52  498.868  4646.90  705.414  4856.20  705.596  189.804   15.885  194.446   15.496 -4.641129 22.19135 
1 1 1    7   18   24 o   99.550   5.3677  1186.88  125.714  1279.70  177.954  1094.40  177.620  102.746   7.3839   94.754   8.0135 7.991280 10.89671 
1 1 1    7   18   25 o   17.937   1.7399   38.400   7.2768   40.500   10.291   36.300   10.291   18.335   2.4373   17.317   2.5968 1.018623 3.561391 
1 1 1    7   18   26 o   42.983   2.6567  219.833   26.833  205.800   37.923  233.900   37.971   41.389   3.9273   44.192   3.6719 -2.803291 5.376510 
1 1 1    7   18   27 o   36.738   2.3634  160.599   20.394  178.500   28.883  142.800   28.800   38.622   3.1957   34.448   3.5934 4.174103 4.808798 
1 1 1    7   18   28 o   95.041   5.3013  1092.42  118.500  1117.90  167.505  1066.90  167.665   95.020   7.5269   92.698   7.7301 2.321686 10.78932 
1 1 1    7   18   29 o   77.128   4.3657  716.417   79.185  733.700  111.928  699.100  112.041   77.304   6.1834   75.368   6.3547 1.936150 8.866600 
1 1 1    7   18   30 o   45.352   2.7898  245.600   29.732  243.800   42.044  247.400   42.049   44.918   4.0059   45.259   3.9748 -0.3409538 5.643238 
1 1 1    7   18   31 o   64.534   3.7155  500.693   56.381  489.000   79.711  512.400   79.759   63.151   5.3971   64.711   5.2652 -1.559967 7.539982 
1 1 1    7   18   32 o   16.911   1.7571   34.251   6.9140   31.400   9.8687   37.000   9.6894   16.023   2.7045   17.480   2.4116 -1.456949 3.623562 
1 1 1    7   18   33 o   27.156   1.8222   87.837   11.617  109.400   16.572   67.000   16.290   30.242   2.3387   23.498   3.0047 6.744413 3.807590 
1 1 1    7   18   34 o   26.176   1.9497   81.805   11.965   89.100   16.974   74.600   16.869   27.197   2.6777   24.809   2.9364 2.387722 3.974006 
1 1 1    7   18   35 o   28.611   2.0440   97.848   13.718  104.400   19.479   91.400   19.324   29.395   2.8417   27.441   3.0328 1.953867 4.156088 
1 1 1    7   18   36 o   54.850   3.2971  364.627   42.506  353.400   60.185  375.800   60.040   53.214   4.8427   54.988   4.6680 -1.774605 6.726209 
1 1 1    7   18   37 o   59.984   3.5525  439.847   50.094  441.000   70.934  438.700   70.754   58.981   5.1446   58.825   5.1454 0.1553535 7.276149 
1 1 1    7   18   38 o   52.381   3.1847  334.613   39.205  328.500   55.502  340.700   55.387   50.989   4.6612   52.009   4.5559 -1.019299 6.517883 
1 1 1    7   18   39 o   39.032   2.4603  184.144   22.560  202.100   32.000  166.400   31.811   40.493   3.3774   36.544   3.7390 3.949081 5.038588 
1 1 1    7   18   40 o   17.438   1.6548   36.570   6.7323   43.200   9.6176   30.200   9.4271   18.844   2.2029   15.597   2.6547 3.247264 3.449700 
1 1 1    7   18   41 f   21.799   1.8102   57.182   9.2340   61.900   13.156   52.600   12.964   22.497   2.5197   20.655   2.7246 1.842432 3.711081 
1 1 1    7   18   42 o   14.288   1.5670   24.626   5.2002   30.300   7.4732   19.300   7.2407   15.758   2.0574   12.407   2.5565 3.351470 3.281605 
1 1 1    7   18   43 o   13.654   1.6006   22.558   5.0627   26.000   7.2603   19.300   7.0634   14.534   2.1830   12.404   2.4979 2.129382 3.317339 
1 1 1    7   18   44 o   41.328   2.4938  208.896   24.223  247.500   34.347  170.700   34.165   44.437   3.2968   36.329   4.0517 8.108021 5.223488 
1 1 1    7   18   45 o   39.897   2.8027  197.662   26.237  243.700   36.981  151.000   37.231   43.622   3.6229   33.244   4.8888 10.37823 6.084859 
1 1 1    7   18   46 o   10.411   1.8961   13.498   4.4895   17.700   6.1191   8.6000   6.6072   11.851   2.2692   8.4616   2.8213 3.389603 3.620637 
1 1 1    7   18   47 o   7.2029   1.8442   6.5236   3.1502   5.9000   4.0326   7.5000   5.0462   6.9623   2.1953   7.8017   2.4553 -0.8393979 3.293602 
1 1 1    7   18   48 o   18.509   2.6593   43.500   11.289   43.500   11.289   0.0000   0.0000   18.509   2.6593  ?   ?  0.000000 2.659329 
1 1 1    7   18   49 o   23.986   2.9213   74.100   16.205   74.100   16.205   0.0000   0.0000   23.986   2.9213  ?   ?  0.000000 2.921300 
1 1 1    7   18   50 o   13.458   2.5749   23.600   7.8846   23.600   7.8846   0.0000   0.0000   13.458   2.5749  ?   ?  0.000000 2.574894 
1 1 1    7   18   51 o   16.441   2.6870   36.000   10.071   36.000   10.071   0.0000   0.0000   16.441   2.6870  ?   ?  0.000000 2.687037 
1 1 1    7   18   52 o   10.699   2.5274   15.700   6.2835   15.700   6.2835   0.0000   0.0000   10.699   2.5274  ?   ?  0.000000 2.527376 
1 1 1    7   18   53 o   5.9923   2.1414   4.3000   3.8334   4.3000   3.8334   0.0000   0.0000   5.9923   2.1414  ?   ?  0.000000 2.141429 
1 1 1    7   18   54 o   9.9561   2.7199   14.400   6.5757   14.400   6.5757   0.0000   0.0000   9.9561   2.7199  ?   ?  0.000000 2.719883 
1 1 1    7   18   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   19    0 o  194.713   15.153  4621.90  687.001  4621.90  687.001  4621.90  687.001  194.713   15.153  194.713   15.153 0.000000 0.000000 
1 1 1    7   19    1 o   74.474   3.8892  657.916   68.158  826.100   96.515  490.600   96.266   83.371   4.9243   63.967   6.4617 19.40413 8.124175 
1 1 1    7   19    2 o  177.876   8.5482  3771.28  359.051  3168.80  505.567  4384.40  510.011  161.434   13.383  190.777   11.373 -29.34325 17.56269 
1 1 1    7   19    3 o   28.373   2.0816   95.615   13.849   90.000   19.612  101.200   19.559   27.420   3.0824   29.119   2.8824 -1.698904 4.220095 
1 1 1    7   19    4 o  124.696   6.8265  1852.74  200.244  2066.00  283.028  1639.00  283.347  131.228   9.1916  116.534   10.406 14.69456 13.88442 
1 1 1    7   19    5 o  154.070   8.3931  2837.90  304.202  3182.80  429.989  2492.30  430.426  162.402   11.283  143.131   12.873 19.27095 17.11742 
1 1 1    7   19    6 o  231.134   12.642  6467.60  687.376  7017.70  971.476  5916.10  972.718  238.214   17.391  217.593   19.125 20.62103 25.84990 
1 1 1    7   19    7 o  231.873   12.218  6501.20  666.605  8062.20  943.115  4942.80  942.330  256.399   15.652  197.862   20.464 58.53633 25.76392 
1 1 1    7   19    8 o  204.249   11.081  5028.35  532.447  5663.50  752.818  4392.60  753.169  215.059   14.916  188.185   17.137 26.87369 22.71936 
1 1 1    7   19    9 o  245.153   12.702  7287.12  732.763  9132.30  1036.95  5446.70  1035.61  272.332   16.198  206.773   21.526 65.55881 26.93929 
1 1 1    7   19   10 o   98.690   5.4885  1158.83  127.400  1232.80  179.894  1084.40  180.448  101.463   7.5628   95.017   8.1204 6.445274 11.09669 
1 1 1    7   19   11 o  117.766   6.4361  1652.99  178.301  1731.00  251.928  1574.70  252.384  120.003   8.9549  114.312   9.4342 5.690758 13.00747 
1 1 1    7   19   12 o   66.535   3.8263  525.637   59.862  618.400   84.619  432.700   84.698   72.054   5.0043   60.061   6.0546 11.99332 7.855032 
1 1 1    7   19   13 o  167.514   8.9487  3366.17  352.695  3984.50  498.879  2748.30  498.692  181.305   11.715  149.445   14.306 31.85939 18.49105 
1 1 1    7   19   14 o  130.234   7.0426  2025.07  215.776  2019.70  304.283  2030.50  306.030  129.323   10.043  129.661   10.074 -0.3383331 14.22508 
1 1 1    7   19   15 o   77.105   4.3017  706.404   78.011  702.200  110.382  710.600  110.265   76.621   6.1527   77.089   6.1074 -0.4673767 8.669245 
1 1 1    7   19   16 o   80.953   4.2777  778.542   81.483  888.200  115.476  669.800  114.993   86.287   5.6995   74.735   6.5833 11.55273 8.707697 
1 1 1    7   19   17 o   52.590   2.8649  328.035   35.443  401.100   50.267  255.800   49.981   58.092   3.6835   46.218   4.6423 11.87325 5.926167 
1 1 1    7   19   18 o  177.670   9.7548  3811.71  407.691  4210.70  576.198  3411.70  576.928  185.053   13.274  165.613   14.912 19.43970 19.96454 
1 1 1    7   19   19 o   86.321   4.7359  886.947   96.166  987.200  136.035  786.800  135.963   90.794   6.3856   80.841   7.1977 9.953293 9.621986 
1 1 1    7   19   20 o   61.120   3.4359  443.776   49.388  490.700   69.938  397.100   69.753   64.125   4.6503   57.568   5.1869 6.557224 6.966344 
1 1 1    7   19   21 o   21.093   1.8010   52.964   8.8844   57.600   12.614   48.400   12.515   21.929   2.4796   20.044   2.7141 1.884703 3.676185 
1 1 1    7   19   22 o   79.439   4.4165  752.278   82.518  791.400  116.731  713.200  116.665   81.131   6.1385   76.913   6.4841 4.218468 8.928926 
1 1 1    7   19   23 o  105.725   5.1883  1333.65  129.530  1621.60  183.615  1048.40  182.753  115.984   6.7332   92.594   8.4514 23.39014 10.80567 
1 1 1    7   19   24 o  113.352   6.2154  1548.60  165.728  1547.50  234.379  1549.70  234.371  112.112   8.9272  112.196   8.9200 -0.8396912E-01 12.61988 
1 1 1    7   19   25 f   54.167   3.1962  349.551   40.701  357.600   57.557  341.500   57.562   54.552   4.5086   53.277   4.6212 1.274174 6.456212 
1 1 1    7   19   26 f  125.455   6.9681  1921.17  205.613  2019.70  290.676  1822.50  290.886  126.660   9.7948  119.830   10.383 6.829735 14.27364 
1 1 1    7   19   27 o   43.538   2.7097  225.858   27.720  235.400   39.185  216.300   39.219   44.264   3.7853   42.381   3.9649 1.883484 5.481726 
1 1 1    7   19   28 o   51.289   3.0739  314.162   37.056  327.300   52.381  301.000   52.430   52.076   4.2980   49.873   4.5005 2.203205 6.223144 
1 1 1    7   19   29 o   55.004   3.2490  362.007   42.012  371.800   59.393  352.200   59.436   55.388   4.5822   53.856   4.7212 1.531784 6.579240 
1 1 1    7   19   30 o   50.898   3.0463  309.897   36.444  308.000   51.500  311.800   51.580   50.397   4.3708   50.716   4.3491 -0.3186188 6.165909 
1 1 1    7   19   31 o   14.952   1.6500   26.798   5.7286   31.700   8.1456   22.000   8.0581   16.197   2.1855   13.367   2.6465 2.830095 3.432254 
1 1 1    7   19   32 o   32.829   2.0422  128.398   15.753  158.400   22.450   99.300   22.110   36.377   2.6313   28.616   3.3346 7.761345 4.247715 
1 1 1    7   19   33 o   20.689   1.7464   51.113   8.4518   57.900   12.031   44.500   11.876   21.934   2.3600   19.131   2.7042 2.802847 3.589200 
1 1 1    7   19   34 o   41.896   2.6447  210.402   26.030  211.900   36.786  208.900   36.839   41.724   3.7744   41.414   3.8097 0.3102150 5.362872 
1 1 1    7   19   35 o   57.100   3.3802  394.851   45.374  394.000   64.189  395.700   64.147   56.287   4.8776   56.419   4.8624 -0.1311150 6.887245 
1 1 1    7   19   36 f   21.009   1.8485   52.924   9.0774   49.400   12.882   56.400   12.793   20.093   2.7904   21.547   2.5648 -1.454355 3.790044 
1 1 1    7   19   37 o   37.585   2.4217  170.143   21.379  184.300   30.296  156.100   30.174   38.789   3.3402   35.552   3.6458 3.236618 4.944553 
1 1 1    7   19   38 o   31.703   2.1919  120.973   16.308  132.200   23.091  109.800   23.035   32.880   3.0074   29.824   3.3275 3.055656 4.485117 
1 1 1    7   19   39 o   8.1832   1.6643   8.2657   3.1065   8.7000   4.5946   7.9000   4.2162   8.3716   2.2679   7.9859   2.1764 0.3857737 3.143285 
1 1 1    7   19   40 o   39.888   2.5033  192.836   23.458  213.800   33.266  172.100   33.085   41.555   3.4205   37.032   3.8393 4.523071 5.142019 
1 1 1    7   19   41 o   26.112   1.9420   82.102   11.889   92.200   16.896   72.200   16.731   27.463   2.6379   24.149   2.9986 3.313931 3.993777 
1 1 1    7   19   42 o   12.033   1.6508   17.600   4.5671   17.600   6.5504   17.600   6.3709   11.862   2.4205   11.877   2.3549 -0.1449585E-01 3.376998 
1 1 1    7   19   43 o   26.337   1.8549   83.658   11.462  101.800   16.321   66.000   16.102   28.864   2.4168   22.958   3.0453 5.905045 3.887775 
1 1 1    7   19   44 o   20.330   1.7547   49.989   8.3411   56.000   11.909   44.200   11.686   21.312   2.4087   18.796   2.7114 2.516130 3.626789 
1 1 1    7   19   45 o   17.554   1.8245   37.519   7.4523   39.700   10.381   35.200   10.705   17.821   2.5386   16.655   2.8227 1.166035 3.796286 
1 1 1    7   19   46 o   26.998   2.1171   89.370   13.389  105.100   18.893   73.500   18.977   28.904   2.8033   23.731   3.4908 5.173138 4.477047 
1 1 1    7   19   47 o   24.374   2.0347   72.893   11.604   84.900   16.347   60.700   16.474   25.957   2.7069   21.552   3.3455 4.404409 4.303425 
1 1 1    7   19   48 o   12.166   2.4943   19.000   6.9255   19.000   6.9255   0.0000   0.0000   12.166   2.4943  ?   ?  0.000000 2.494348 
1 1 1    7   19   49 o   8.2891   2.3470   8.8000   4.8020   8.8000   4.8020   0.0000   0.0000   8.2891   2.3470  ?   ?  0.000000 2.347039 
1 1 1    7   19   50 o   7.6135   2.3346   7.4000   4.5960   7.4000   4.5960   0.0000   0.0000   7.6135   2.3346  ?   ?  0.000000 2.334588 
1 1 1    7   19   51 o   15.573   2.6319   32.500   9.3337   32.500   9.3337   0.0000   0.0000   15.573   2.6319  ?   ?  0.000000 2.631930 
1 1 1    7   19   52 o   13.865   2.6638   26.600   8.4045   26.600   8.4045   0.0000   0.0000   13.865   2.6638  ?   ?  0.000000 2.663841 
1 1 1    7   19   53 o   3.2788   1.5178  -2.0000   2.7807  -2.0000   2.7807   0.0000   0.0000   3.2788   1.5178  ?   ?  0.000000 1.517769 
1 1 1    7   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   20    0 o  314.973   25.083 12442.20  1838.40 12442.20  1838.40 12442.20  1838.40  314.973   25.083  314.973   25.083 0.000000 0.000000 
1 1 1    7   20    1 o   94.282   5.1596  1056.59  114.433  1016.50  161.813  1096.70  161.853   92.121   7.5038   95.760   7.2107 -3.638420 10.40678 
1 1 1    7   20    2 o  226.424   11.077  6159.03  592.246  4832.80  836.347  7493.00  838.783  197.007   18.183  247.903   14.391 -50.89626 23.18877 
1 1 1    7   20    3 o  268.616   14.389  8795.18  909.401  8191.10  1285.38  9400.60  1286.80  254.266   21.613  273.773   20.044 -19.50679 29.47702 
1 1 1    7   20    4 o  125.752   6.8800  1885.39  203.523  1993.00  287.512  1777.30  288.140  128.740   9.5252  121.384   10.146 7.356499 13.91630 
1 1 1    7   20    5 f   70.877   3.9373  596.295   65.638  574.800   92.287  618.300   93.375   69.381   5.6828   71.994   5.5349 -2.613762 7.932827 
1 1 1    7   20    6 o  168.311   13.045  3448.90  514.404  3448.90  514.404   0.0000   0.0000  168.311   13.045  ?   ?  0.000000 13.04470 
1 1 1    7   20    7 o   47.487   2.8880  267.561   32.231  269.800   45.465  265.300   45.698   47.568   4.0873   47.161   4.1457 0.4078064 5.821692 
1 1 1    7   20    8 o  158.834   8.6651  3021.84  323.768  3235.80  457.457  2807.10  458.298  163.350   11.942  151.743   12.913 11.60710 17.58877 
1 1 1    7   20    9 o  102.683   5.6521  1254.87  136.521  1351.00  192.947  1158.50  193.193  106.195   7.7478   98.163   8.4159 8.032555 11.43921 
1 1 1    7   20   10 o   58.225   3.1434  402.071   43.058  521.300   61.017  283.800   60.771   66.251   3.9177   48.621   5.3834 17.62949 6.658028 
1 1 1    7   20   11 o  131.333   6.7001  2056.64  207.096  2785.30  293.121  1330.40  292.635  152.552   8.1666  104.260   12.112 48.29227 14.60798 
1 1 1    7   20   12 o   56.315   3.2248  376.307   42.705  481.800   60.435  271.100   60.353   63.667   4.0408   47.488   5.4828 16.17820 6.811005 
1 1 1    7   20   13 f   42.129   2.6493  210.639   26.222  209.400   36.925  211.900   37.243   41.893   3.7731   42.144   3.7826 -0.2503319 5.342731 
1 1 1    7   20   14 o  114.897   6.2332  1574.07  168.482  1802.80  238.285  1345.40  238.256  122.544   8.2832  105.442   9.6770 17.10235 12.73798 
1 1 1    7   20   15 o   74.787   4.0407  664.336   71.094  747.200  100.703  582.000  100.381   79.148   5.4208   69.691   6.1633 9.457222 8.207983 
1 1 1    7   20   16 o   50.824   2.6902  306.264   32.170  387.600   45.662  226.100   45.331   57.130   3.4001   43.446   4.4831 13.68420 5.626603 
1 1 1    7   20   17 o   61.894   3.5396  454.979   51.518  479.600   72.888  430.400   72.827   63.384   4.9081   59.984   5.1928 3.400734 7.145233 
1 1 1    7   20   18 o  159.304   8.7646  3058.70  328.433  3315.30  464.072  2801.20  464.877  164.419   12.037  150.487   13.216 13.93108 17.87566 
1 1 1    7   20   19 o   33.486   2.1829  133.115   17.166  150.600   24.407  116.000   24.147   35.555   2.9333   31.123   3.3378 4.432011 4.443543 
1 1 1    7   20   20 o  114.361   6.0994  1565.21  164.117  1714.80  232.317  1416.20  231.875  119.044   8.3166  107.834   9.1940 11.21059 12.39742 
1 1 1    7   20   21 o   9.4967   1.7479   10.998   3.7753   10.300   5.5465   11.600   5.1534   9.1820   2.4937   9.7093   2.2857 -0.5272532 3.382691 
1 1 1    7   20   22 o   79.670   4.4019  757.292   82.491  798.800  116.742  715.900  116.579   81.445   6.1148   76.986   6.4728 4.458832 8.904382 
1 1 1    7   20   23 o   54.050   3.1421  347.633   39.930  379.100   56.529  316.300   56.409   56.269   4.2867   51.290   4.7101 4.979546 6.368737 
1 1 1    7   20   24 o   64.518   3.6950  496.644   56.059  503.100   79.319  490.200   79.240   64.599   5.2451   63.744   5.3127 0.8555260 7.465626 
1 1 1    7   20   25 f  123.399   6.6640  1852.37  193.463  2024.40  273.863  1681.00  273.335  127.381   9.1660  115.334   10.139 12.04710 13.66824 
1 1 1    7   20   26 o   73.338   4.1083  644.548   70.861  627.300  100.063  661.900  100.363   71.767   5.9585   73.787   5.8070 -2.020287 8.320159 
1 1 1    7   20   27 o   41.428   2.5952  204.534   25.259  194.800   35.692  214.300   35.752   40.209   3.8043   42.228   3.6204 -2.018963 5.251712 
1 1 1    7   20   28 o   43.356   2.6032  224.115   26.527  183.700   37.453  264.800   37.578   38.928   4.1378   46.986   3.4101 -8.057419 5.361959 
1 1 1    7   20   29 f   49.008   2.9613  287.099   34.108  281.100   48.234  293.100   48.239   48.169   4.2853   49.220   4.1902 -1.051708 5.993498 
1 1 1    7   20   30 o  120.546   6.7038  1806.15  190.071  1715.00  268.578  1897.60  269.025  113.946   10.086  120.567   9.5270 -6.621552 13.87415 
1 1 1    7   20   31 o   64.438   3.7116  500.040   56.237  493.500   79.472  506.600   79.591   63.348   5.3631   64.220   5.2957 -0.8717995 7.537063 
1 1 1    7   20   32 o   37.893   2.4956  171.690   22.205  157.100   31.446  186.200   31.360   35.948   3.7601   39.260   3.4168 -3.311340 5.080605 
1 1 1    7   20   33 o   51.733   3.1111  321.754   37.829  319.700   53.548  323.800   53.447   51.080   4.4849   51.424   4.4451 -0.3448601 6.314565 
1 1 1    7   20   34 o   15.944   1.6919   30.506   6.2726   28.200   8.8828   32.800   8.8587   15.160   2.5734   16.423   2.3514 -1.262928 3.485898 
1 1 1    7   20   35 o   28.330   2.0726   96.145   13.769   98.900   19.490   93.400   19.454   28.534   2.9344   27.697   3.0237 0.8368492 4.213470 
1 1 1    7   20   36 o   28.200   2.0868   95.462   13.797   92.200   19.548   98.700   19.478   27.452   3.0679   28.453   2.9415 -1.000357 4.250249 
1 1 1    7   20   37 o   60.748   3.5615  453.135   50.866  431.900   71.826  474.500   72.046   57.973   5.3056   61.014   5.0458 -3.040932 7.321898 
1 1 1    7   20   38 o   3.3256   1.2820   0.8525   1.4235   1.2000   2.1945   0.6000   1.8705   4.0665   1.5850   3.5391   1.4355 0.5274165 2.138432 
1 1 1    7   20   39 o   15.301   1.6636   28.231   5.9141   34.100   8.3774   22.400   8.3504   16.723   2.1727   13.369   2.7372 3.354179 3.494741 
1 1 1    7   20   40 o   13.054   1.6423   20.634   4.9503   21.600   7.0624   19.700   6.9409   13.203   2.3515   12.578   2.4248 0.6248035 3.377732 
1 1 1    7   20   41 o   26.582   2.0130   85.241   12.542   94.100   17.746   76.400   17.728   27.691   2.7503   24.798   3.0949 2.893475 4.140342 
1 1 1    7   20   42 o   23.679   1.8043   67.529   10.012   83.700   14.236   51.700   14.085   26.217   2.3236   20.322   3.0276 5.895548 3.816478 
1 1 1    7   20   43 o   28.368   2.0204   97.462   13.446  112.000   19.074   83.100   18.957   30.128   2.7100   25.701   3.1925 4.427826 4.187585 
1 1 1    7   20   44 o   14.567   1.6106   25.730   5.4472   31.100   7.7927   20.600   7.6172   15.888   2.1307   12.741   2.6194 3.147828 3.376551 
1 1 1    7   20   45 o   31.396   2.3485  121.372   17.285  151.700   24.376   90.700   24.514   34.679   3.0064   26.028   4.1260 8.650885 5.105145 
1 1 1    7   20   46 o   21.171   1.8339   54.644   9.0774   47.700   12.656   62.000   13.027   19.340   2.8572   22.262   2.5226 -2.921635 3.811433 
1 1 1    7   20   47 o   17.149   2.6112   37.300   10.240   37.300   10.240   0.0000   0.0000   17.149   2.6112  ?   ?  0.000000 2.611168 
1 1 1    7   20   48 o   26.519   3.0612   90.900   18.817   90.900   18.817   0.0000   0.0000   26.519   3.0612  ?   ?  0.000000 3.061231 
1 1 1    7   20   49 o   7.2980   2.2266   6.7000   4.1872   6.7000   4.1872   0.0000   0.0000   7.2980   2.2266  ?   ?  0.000000 2.226650 
1 1 1    7   20   50 o   2.8183   1.2671  -0.8000   1.7637  -0.8000   1.7637   0.0000   0.0000   2.8183   1.2671  ?   ?  0.000000 1.267149 
1 1 1    7   20   51 o   20.354   2.8875   57.100   13.489   57.100   13.489   0.0000   0.0000   20.354   2.8875  ?   ?  0.000000 2.887513 
1 1 1    7   20   52 o   9.0547   2.4164   11.300   5.2627   11.300   5.2627   0.0000   0.0000   9.0547   2.4164  ?   ?  0.000000 2.416388 
1 1 1    7   20   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   20   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   21    0 o   53.789   4.6106  349.600   57.571  349.600   57.571  349.600   57.571   53.789   4.6106   53.789   4.6106 0.000000 0.000000 
1 1 1    7   21    1 o  135.692   7.2856  2197.40  232.591  2295.00  329.022  2099.90  328.844  137.995   10.169  131.835   10.654 6.160141 14.72815 
1 1 1    7   21    2 o   46.277   2.7880  254.061   30.323  226.900   42.853  281.300   42.914   43.578   4.2172   48.614   3.7678 -5.036407 5.655181 
1 1 1    7   21    3 o  279.333   14.787  9540.91  971.857  8957.20  1371.04 10130.40  1377.81  265.095   22.104  283.231   20.745 -18.13568 30.31399 
1 1 1    7   21    4 o   54.358   2.9803  350.386   38.109  302.500   53.583  399.400   54.210   50.333   4.5577   57.955   3.9854 -7.622437 6.054451 
1 1 1    7   21    5 o  188.690   9.8354  4277.47  436.714  5281.80  617.969  3275.50  617.245  208.612   12.604  162.549   16.301 46.06290 20.60507 
1 1 1    7   21    6 o   45.754   2.7967  248.391   30.071  245.400   42.464  251.400   42.591   45.358   4.0058   45.918   3.9669 -0.5599823 5.637639 
1 1 1    7   21    7 o  113.822   6.1713  1543.26  165.249  1534.10  233.123  1552.50  234.276  112.968   8.8088  113.649   8.7983 -0.6808472 12.45005 
1 1 1    7   21    8 o  154.048   8.3349  2841.02  302.063  3244.00  427.119  2437.80  427.244  163.791   11.109  141.260   12.953 22.53050 17.06394 
1 1 1    7   21    9 o  247.414   13.579  7464.32  790.308  7793.60  1116.61  7133.80  1118.72  249.008   19.136  237.410   20.146 11.59877 27.78580 
1 1 1    7   21   10 o  153.405   11.891  2859.10  427.390  2859.10  427.390   0.0000   0.0000  153.405   11.891  ?   ?  0.000000 11.89128 
1 1 1    7   21   11 o  175.851   13.699  3788.30  564.352  3788.30  564.352   0.0000   0.0000  175.851   13.699  ?   ?  0.000000 13.69884 
1 1 1    7   21   12 o   78.933   4.3700  740.324   81.135  849.000  114.782  631.800  114.702   84.352   5.7977   72.550   6.7737 11.80252 8.916070 
1 1 1    7   21   13 o  153.939   7.9282  2837.67  287.217  3574.60  406.567  2103.50  405.806  172.121   10.047  130.733   13.332 41.38820 16.69364 
1 1 1    7   21   14 o  247.346   13.130  7482.83  764.142  8266.40  1081.44  6701.50  1079.88  256.194   17.990  228.708   20.203 27.48622 27.05212 
1 1 1    7   21   15 f   19.893   1.8302   47.153   8.5010   44.000   12.125   50.200   11.922   19.092   2.7705   20.453   2.5219 -1.360641 3.746377 
1 1 1    7   21   16 o  178.025   9.1651  3820.59  383.979  4355.10  543.748  3288.90  542.311  188.595   12.277  162.762   14.254 25.83281 18.81187 
1 1 1    7   21   17 o  190.843   9.7687  4408.56  438.752  5189.50  621.203  3631.20  619.776  205.277   12.881  169.910   15.622 35.36681 20.24771 
1 1 1    7   21   18 o  107.615   5.7585  1383.15  145.803  1657.60  206.309  1109.30  206.086  117.396   7.4812   95.437   9.2612 21.95820 11.90544 
1 1 1    7   21   19 o   69.833   3.9186  580.208   64.357  617.400   91.067  543.100   90.963   71.802   5.4108   67.247   5.7846 4.555145 7.920801 
1 1 1    7   21   20 o   33.955   2.2132  136.932   17.648  157.100   25.032  117.000   24.885   36.305   2.9453   31.231   3.4309 5.074059 4.521709 
1 1 1    7   21   21 o  121.481   6.4371  1775.32  183.996  1968.80  260.498  1582.70  259.922  126.977   8.7412  113.292   9.8128 13.68453 13.14151 
1 1 1    7   21   22 o  127.454   6.9694  1965.98  208.960  2003.30  295.604  1928.70  295.424  127.090   9.9288  124.566   10.131 2.524254 14.18539 
1 1 1    7   21   23 o   68.481   3.7413  559.432   60.270  649.700   85.386  469.800   85.085   73.545   4.9455   62.255   5.8566 11.28934 7.665351 
1 1 1    7   21   24 o   78.483   4.3235  737.720   79.817  833.100  112.955  642.600  112.801   82.959   5.8026   72.515   6.6621 10.44456 8.834768 
1 1 1    7   21   25 o   76.988   4.2893  710.864   77.668  765.200  109.926  656.700  109.752   79.344   5.9094   73.286   6.4064 6.058258 8.715722 
1 1 1    7   21   26 o   35.469   2.3563  149.840   19.623  151.500   27.834  148.200   27.668   35.508   3.3596   35.112   3.3787 0.3957405 4.764731 
1 1 1    7   21   27 o   24.645   1.9386   72.395   11.191   68.600   15.815   76.200   15.837   23.848   2.8657   25.179   2.7061 -1.330608 3.941468 
1 1 1    7   21   28 o   39.912   2.5746  190.084   24.135  176.200   34.175  203.900   34.091   38.169   3.8440   41.156   3.5424 -2.986919 5.227283 
1 1 1    7   21   29 o   43.258   2.6745  223.477   27.185  211.300   38.409  235.700   38.482   41.778   3.9399   44.200   3.7216 -2.421608 5.419694 
1 1 1    7   21   30 o   29.512   2.1229  103.907   14.695  106.000   20.747  101.800   20.817   29.658   3.0039   29.042   3.0826 0.6152306 4.304149 
1 1 1    7   21   31 o   29.709   2.1135  105.337   14.730  108.200   20.879  102.500   20.784   29.954   2.9919   29.131   3.0676 0.8233299 4.285036 
1 1 1    7   21   32 o   67.679   3.8269  554.109   60.909  587.900   86.320  520.600   85.959   68.948   5.3436   64.666   5.6871 4.281830 7.803655 
1 1 1    7   21   33 o   25.856   2.0479   79.992   12.402   72.500   17.648   87.300   17.431   24.384   3.1378   26.874   2.7873 -2.490366 4.197018 
1 1 1    7   21   34 o   40.955   2.5782  201.477   24.806  219.200   35.104  183.800   35.058   42.414   3.5372   38.686   3.8905 3.727833 5.258128 
1 1 1    7   21   35 o   13.675   1.6532   22.544   5.2302   23.600   7.4178   21.500   7.3755   13.861   2.3502   13.194   2.4577 0.6673183 3.400561 
1 1 1    7   21   36 o   42.423   2.6831  217.498   26.740  200.600   37.813  234.400   37.818   40.152   4.0432   43.601   3.7084 -3.448704 5.486334 
1 1 1    7   21   37 o   56.508   3.3848  391.743   44.957  400.900   63.602  382.600   63.556   56.081   4.8505   54.674   4.9773 1.407356 6.949924 
1 1 1    7   21   38 o   16.525   1.7169   32.907   6.6020   29.100   9.3455   36.700   9.3278   15.303   2.6840   17.321   2.3405 -2.017784 3.561146 
1 1 1    7   21   39 o   52.190   3.1424  334.058   38.546  356.800   54.564  311.400   54.462   53.018   4.3980   49.234   4.7432 3.784046 6.468420 
1 1 1    7   21   40 o   7.0265   1.6927   6.1265   2.7751   3.4000   3.9826   8.7000   3.8692   5.9229   2.1734   8.3569   1.9894 -2.433944 2.946426 
1 1 1    7   21   41 o   13.521   1.5710   22.087   4.9221   30.300   7.0100   14.100   6.9128   15.790   1.9196   10.570   2.7451 5.219397 3.349688 
1 1 1    7   21   42 o   17.501   1.7307   37.027   7.0586   38.900   10.044   35.200   9.9219   17.739   2.4644   16.823   2.5800 0.9157867 3.567872 
1 1 1    7   21   43 o   24.369   1.8158   71.773   10.374   92.100   14.736   51.800   14.607   27.443   2.2950   20.188   3.1683 7.254938 3.912211 
1 1 1    7   21   44 o   41.279   2.6963  211.102   26.138  207.600   36.973  214.600   36.957   39.861   3.9812   40.608   3.9021 -0.7462959 5.574670 
1 1 1    7   21   45 o   8.2183   1.8151   8.4684   3.4284   7.1000   4.4351   10.500   5.4041   7.5698   2.2876   9.0806   2.4595 -1.510712 3.358927 
1 1 1    7   21   46 o   12.802   1.7509   20.147   5.1541   17.800   6.7202   23.500   8.0320   11.798   2.4904   13.559   2.6033 -1.761193 3.602687 
1 1 1    7   21   47 o   13.473   2.5202   23.200   7.7233   23.200   7.7233   0.0000   0.0000   13.473   2.5202  ?   ?  0.000000 2.520169 
1 1 1    7   21   48 o   22.023   2.8272   62.400   14.363   62.400   14.363   0.0000   0.0000   22.023   2.8272  ?   ?  0.000000 2.827245 
1 1 1    7   21   49 o   12.858   2.5181   21.600   7.3722   21.600   7.3722   0.0000   0.0000   12.858   2.5181  ?   ?  0.000000 2.518124 
1 1 1    7   21   50 o   14.575   2.6105   28.400   8.6548   28.400   8.6548   0.0000   0.0000   14.575   2.6105  ?   ?  0.000000 2.610517 
1 1 1    7   21   51 o   9.0377   2.4684   11.200   5.4166   11.200   5.4166   0.0000   0.0000   9.0377   2.4684  ?   ?  0.000000 2.468374 
1 1 1    7   21   52 o   6.1476   2.3752   4.0000   4.8948   4.0000   4.8948   0.0000   0.0000   6.1476   2.3752  ?   ?  0.000000 2.375244 
1 1 1    7   21   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   22    0 o   65.600   5.4306  519.600   82.797  519.600   82.797  519.600   82.797   65.600   5.4306   65.600   5.4306 0.000000 0.000000 
1 1 1    7   22    1 o  117.851   6.3074  1654.65  174.891  1775.80  247.483  1533.80  247.182  121.628   8.6738  112.834   9.3617 8.793991 12.76229 
1 1 1    7   22    2 o  123.300   6.5339  1811.98  189.560  1694.10  267.664  1930.60  268.494  118.547   9.6454  126.756   9.0293 -8.208733 13.21216 
1 1 1    7   22    3 o  337.209   19.013 14227.17  1507.79 16950.30  2131.74 11501.00  2132.93  360.667   25.188  289.027   31.776 71.63974 40.54872 
1 1 1    7   22    4 o   94.810   5.2319  1069.13  116.679  1129.10  164.901  1009.00  165.117   97.125   7.2421   91.700   7.6965 5.424835 10.56811 
1 1 1    7   22    5 o   37.765   2.4117  169.228   21.394  161.100   30.124  177.500   30.390   36.735   3.5156   38.592   3.3686 -1.856876 4.868981 
1 1 1    7   22    6 o   13.569   1.8182   22.138   5.6792   29.700   7.8882   14.000   8.1831   15.704   2.1866   10.755   3.0703 4.948029 3.769350 
1 1 1    7   22    7 o   87.307   4.7315  905.874   97.182  858.000  137.115  954.200  137.760   84.641   6.9208   89.347   6.5757 -4.706520 9.546575 
1 1 1    7   22    8 o   67.818   3.8500  546.107   61.400  604.200   86.827  488.000   86.838   71.188   5.2012   63.849   5.8237 7.338844 7.808176 
1 1 1    7   22    9 o   63.969   3.6952  485.871   55.580  569.100   78.569  402.500   78.636   69.121   4.8443   57.932   5.8274 11.18881 7.577976 
1 1 1    7   22   10 o  287.143   15.890 10195.31  1073.22 11573.10  1517.51  8816.60  1518.02  300.439   21.533  258.341   25.205 42.09866 33.15067 
1 1 1    7   22   11 o  234.194   12.969  6694.22  714.397  7317.30  1009.57  6069.30  1011.05  241.445   17.834  218.268   19.833 23.17715 26.67186 
1 1 1    7   22   12 o   60.221   3.5414  430.680   50.139  519.600   70.855  341.500   70.959   66.051   4.5709   53.314   5.7261 12.73778 7.326810 
1 1 1    7   22   13 o   92.177   5.0470  1011.17  109.437  1048.80  154.827  973.600  154.707   93.533   7.0621   90.042   7.3400 3.491104 10.18573 
1 1 1    7   22   14 o   25.013   1.9067   74.356   11.177   96.600   15.840   52.300   15.774   28.488   2.3764   20.764   3.3295 7.723803 4.090603 
1 1 1    7   22   15 f  144.244   7.6534  2496.01  259.751  2759.60  367.616  2233.20  367.072  150.709   10.393  135.016   11.627 15.69312 15.59500 
1 1 1    7   22   16 o  195.965   10.810  4677.83  498.302  5060.20  704.216  4294.40  705.197  201.089   14.937  184.117   16.392 16.97252 22.17662 
1 1 1    7   22   17 f  142.243   7.8024  2435.69  261.070  2567.40  368.881  2303.50  369.538  144.765   10.870  136.763   11.551 8.001984 15.86137 
1 1 1    7   22   18 o  182.586   14.685  4219.80  627.776  4219.80  627.776   0.0000   0.0000  182.586   14.685  ?   ?  0.000000 14.68462 
1 1 1    7   22   19 o   79.826   4.4229  759.803   83.044  800.000  117.510  719.700  117.373   81.552   6.1473   77.242   6.4954 4.309914 8.943123 
1 1 1    7   22   20 o   31.440   2.1276  117.455   15.703  132.700   22.277  102.400   22.138   33.349   2.8564   29.208   3.2656 4.141403 4.338545 
1 1 1    7   22   21 o  129.649   6.9776  2034.66  212.831  2285.90  301.133  1783.90  300.843  136.090   9.4287  119.341   10.792 16.74889 14.33086 
1 1 1    7   22   22 o   48.461   2.9096  279.524   33.142  262.800   46.833  296.300   46.907   46.759   4.2894   49.722   4.0298 -2.962528 5.885407 
1 1 1    7   22   23 o  111.352   6.1325  1501.83  160.628  1533.60  227.223  1470.10  227.101  111.115   8.7303  108.654   8.9304 2.460335 12.48883 
1 1 1    7   22   24 o  107.041   5.9255  1389.40  149.190  1425.20  210.977  1353.60  210.997  107.007   8.4175  104.114   8.6609 2.892204 12.07747 
1 1 1    7   22   25 o   20.627   1.7921   50.741   8.6423   55.600   12.298   46.000   12.147   21.511   2.4657   19.499   2.7116 2.012056 3.665085 
1 1 1    7   22   26 o   37.009   2.4062  163.225   20.914  170.100   29.631  156.400   29.523   37.620   3.3713   36.032   3.5145 1.587616 4.870031 
1 1 1    7   22   27 o   57.038   3.3449  389.553   44.854  391.300   63.383  387.800   63.482   56.759   4.7733   56.493   4.8044 0.2661514 6.772491 
1 1 1    7   22   28 o   30.588   2.1544  111.550   15.462  112.800   21.866  110.300   21.866   30.609   3.0666   30.257   3.1045 0.3517723 4.363655 
1 1 1    7   22   29 o   44.445   2.7087  236.055   28.292  222.900   39.942  249.300   40.079   42.882   3.9904   45.430   3.7701 -2.548592 5.489710 
1 1 1    7   22   30 o   36.950   2.3548  162.965   20.439  145.500   28.836  180.600   28.976   34.652   3.5754   38.735   3.1964 -4.083458 4.795904 
1 1 1    7   22   31 o   66.990   3.8345  542.561   60.405  518.800   85.356  566.400   85.495   64.625   5.6501   67.689   5.3936 -3.063644 7.811192 
1 1 1    7   22   32 o   36.675   2.4295  161.016   20.921  148.300   29.605  173.700   29.569   34.887   3.6476   37.874   3.3404 -2.986824 4.946018 
1 1 1    7   22   33 o   68.974   3.9558  580.418   64.161  616.700   90.840  544.300   90.634   70.045   5.5373   65.497   5.9242 4.547493 8.109131 
1 1 1    7   22   34 o   15.786   1.6994   29.951   6.2349   29.800   8.8377   30.100   8.7975   15.593   2.4835   15.679   2.4569 -0.8586979E-01 3.493381 
1 1 1    7   22   35 o   23.149   1.8697   64.263   10.134   74.600   14.357   54.000   14.305   24.816   2.4833   20.948   2.9756 3.868507 3.875671 
1 1 1    7   22   36 o   47.295   2.8643  271.435   31.838  292.900   45.095  250.100   44.958   48.547   3.9684   44.633   4.3197 3.914623 5.865834 
1 1 1    7   22   37 o   44.628   2.7945  242.042   29.301  248.600   41.463  235.500   41.413   44.594   3.9794   43.324   4.0967 1.269939 5.711251 
1 1 1    7   22   38 o   41.689   2.5513  210.577   24.994  245.600   35.410  175.800   35.285   44.613   3.3865   37.344   4.0671 7.268650 5.292466 
1 1 1    7   22   39 o   14.725   1.6517   26.173   5.6441   28.700   8.0260   23.700   7.9388   15.284   2.2947   13.803   2.5289 1.480803 3.414817 
1 1 1    7   22   40 o   25.460   1.9597   78.126   11.691   85.000   16.563   71.300   16.505   26.330   2.7023   23.996   2.9768 2.333906 4.020466 
1 1 1    7   22   41 o   9.6184   1.6122   11.339   3.5320   16.300   5.0531   6.6000   4.9390   11.506   1.9280   7.4879   2.4365 4.018322 3.107060 
1 1 1    7   22   42 o   47.739   2.8971  281.588   32.504  321.400   46.033  242.000   45.903   50.112   3.9214   42.824   4.6121 7.287903 6.053855 
1 1 1    7   22   43 o   32.896   2.1441  131.696   16.564  162.700   23.504  101.100   23.349   36.230   2.7682   28.041   3.6100 8.189230 4.549193 
1 1 1    7   22   44 o   27.806   2.0873   94.463   13.605   91.000   19.009   98.100   19.481   26.784   3.0604   27.850   3.0102 -1.065500 4.292732 
1 1 1    7   22   45 o   7.8735   1.9769   7.8193   3.6701   10.100   4.6859   4.2000   5.9029   8.9150   2.2312   6.8255   2.6159 2.089467 3.438177 
1 1 1    7   22   46 o   12.753   1.7571   20.008   5.1511   16.200   6.7819   25.200   7.9190   11.209   2.6108   14.098   2.4688 -2.888560 3.593222 
1 1 1    7   22   47 o   9.4919   2.4201   11.600   5.4408   11.600   5.4408   0.0000   0.0000   9.4919   2.4201  ?   ?  0.000000 2.420067 
1 1 1    7   22   48 o   8.7069   2.3445   9.8000   4.9276   9.8000   4.9276   0.0000   0.0000   8.7069   2.3445  ?   ?  0.000000 2.344501 
1 1 1    7   22   49 o   20.096   2.7891   53.500   12.878   53.500   12.878   0.0000   0.0000   20.096   2.7891  ?   ?  0.000000 2.789059 
1 1 1    7   22   50 o   21.506   2.9494   63.800   14.583   63.800   14.583   0.0000   0.0000   21.506   2.9494  ?   ?  0.000000 2.949363 
1 1 1    7   22   51 o   12.795   2.8644   23.300   8.4387   23.300   8.4387   0.0000   0.0000   12.795   2.8644  ?   ?  0.000000 2.864351 
1 1 1    7   22   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   22   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   23    0 f  193.044   15.077  4558.40  677.623  4558.40  677.623  4558.40  677.623  193.044   15.077  193.044   15.077 0.000000 0.000000 
1 1 1    7   23    1 o   68.004   3.8963  549.138   62.307  566.200   87.890  531.900   88.343   68.872   5.4487   66.711   5.6615 2.161880 7.857566 
1 1 1    7   23    2 o  169.906   9.1998  3464.97  367.727  3763.50  519.896  3166.10  520.195  175.864   12.603  160.732   13.841 15.13199 18.71882 
1 1 1    7   23    3 o  114.899   5.9853  1572.05  161.831  1442.40  227.993  1703.70  229.743  109.473   8.8966  119.193   8.2128 -9.719620 12.10782 
1 1 1    7   23    4 o  214.683   11.701  5580.52  590.914  5865.00  835.137  5295.30  836.220  217.555   16.377  206.074   17.346 11.48083 23.85511 
1 1 1    7   23    5 o  326.298   18.049 13291.94  1385.32 15406.20  1959.26 11178.20  1959.02  343.991   24.276  286.795   29.340 57.19604 38.08125 
1 1 1    7   23    6 o   99.446   5.5243  1177.28  129.215  1267.40  182.508  1086.70  182.968  102.835   7.5691   95.045   8.2337 7.790176 11.18415 
1 1 1    7   23    7 o  129.896   6.9051  2014.30  211.040  2379.30  298.597  1650.00  298.314  140.679   9.0365  116.513   10.972 24.16568 14.21408 
1 1 1    7   23    8 o   30.350   2.1325  109.377   15.186   99.100   21.252  120.100   21.707   28.771   3.1814   31.735   2.9298 -2.964203 4.324954 
1 1 1    7   23    9 o  204.459   10.978  5059.95  528.068  5933.80  746.930  4186.70  746.672  219.504   14.492  182.451   17.547 37.05330 22.75800 
1 1 1    7   23   10 o   9.4779   1.8432   10.979   3.9767   11.800   5.3927  10.0000   5.8877   9.7964   2.3593   9.0954   2.6069 0.7010040 3.516027 
1 1 1    7   23   11 o  125.343   6.8349  1877.37  201.534  2019.90  284.890  1734.60  285.134  129.359   9.3905  119.586   10.195 9.772362 13.86051 
1 1 1    7   23   12 o  206.122   10.929  5155.16  530.035  6428.00  749.875  3884.30  749.290  228.325   13.976  174.486   18.466 53.83929 23.15855 
1 1 1    7   23   13 o   86.971   4.7693  900.249   97.572  868.600  137.770  932.100  138.208   85.046   6.9202   88.167   6.6883 -3.120735 9.624057 
1 1 1    7   23   14 o  129.431   6.8542  2005.52  208.740  2241.00  295.412  1770.70  294.995  136.092   9.2474  120.477   10.474 15.61565 13.97171 
1 1 1    7   23   15 o  114.518   6.2233  1568.52  167.656  1636.00  237.150  1501.10  237.054  116.263   8.7012  111.210   9.1068 5.053001 12.59545 
1 1 1    7   23   16 o  116.753   5.7745  1624.90  159.201  1954.60  225.731  1298.60  224.561  127.414   7.5361  103.203   9.3151 24.21099 11.98185 
1 1 1    7   23   17 o  214.168   11.297  5654.41  569.320  6555.00  805.852  4757.00  804.430  226.919   15.126  190.202   18.130 36.71701 23.61126 
1 1 1    7   23   18 o   87.672   4.8757  918.139  100.540  931.800  141.981  904.400  142.390   87.821   6.9021   86.474   7.0341 1.346474 9.854878 
1 1 1    7   23   19 o   75.907   4.2495  687.485   75.863  714.800  107.317  660.200  107.258   77.026   5.9463   73.943   6.2001 3.083115 8.590656 
1 1 1    7   23   20 o   93.169   5.0588  1040.25  110.880  1153.10  156.948  927.800  156.667   97.519   6.8593   87.122   7.6944 10.39709 10.30792 
1 1 1    7   23   21 o   69.517   3.9168  577.117   64.035  642.200   90.583  512.100   90.536   73.016   5.2896   64.975   5.9675 8.040504 7.974378 
1 1 1    7   23   22 o   12.149   1.6059   17.757   4.4940   23.500   6.4381   12.300   6.2758   13.948   2.0130   10.005   2.6240 3.943281 3.307188 
1 1 1    7   23   23 o   83.448   4.6682  837.001   91.619  838.900  129.523  835.100  129.615   82.784   6.6828   82.585   6.7043 0.1984863 9.466127 
1 1 1    7   23   24 o   49.607   2.9690  293.574   34.619  266.500   48.935  320.700   48.982   46.942   4.4686   51.634   4.0498 -4.692543 6.030642 
1 1 1    7   23   25 o   91.807   5.1180  1021.08  110.511  990.300  156.229  1051.90  156.342   89.133   7.4922   92.030   7.2530 -2.896553 10.42783 
1 1 1    7   23   26 o   97.038   5.4212  1146.19  123.726  1121.00  174.936  1171.40  175.013   94.380   7.9228   96.628   7.7350 -2.247955 11.07252 
1 1 1    7   23   27 o   38.647   2.4479  178.142   22.224  211.100   31.457  145.300   31.401   41.943   3.2003   34.596   3.9126 7.346840 5.054703 
1 1 1    7   23   28 o   21.000   1.8249   52.657   8.9598   51.000   12.515   54.400   12.833   20.537   2.6420   21.226   2.6156 -0.6891022 3.717694 
1 1 1    7   23   29 o  112.831   6.4926  1585.21  172.255  1628.30  242.875  1541.60  244.344  111.381   9.3201  107.929   9.6906 3.452110 13.44515 
1 1 1    7   23   30 o   90.207   5.0714  997.753  107.589  980.200  151.528  1015.60  152.788   87.617   7.3929   89.266   7.3125 -1.648598 10.39847 
1 1 1    7   23   31 f   67.583   3.8826  553.652   61.701  544.700   86.788  562.800   87.737   66.113   5.6122   67.230   5.5769 -1.117653 7.911988 
1 1 1    7   23   32 o   80.438   4.6200  796.401   87.386  824.800  123.580  768.000  123.585   80.221   6.5818   77.139   6.8561 3.081215 9.504001 
1 1 1    7   23   33 o   72.793   4.2196  651.684   72.220  637.800  102.077  665.600  102.192   70.413   6.2026   72.071   6.0611 -1.657951 8.672294 
1 1 1    7   23   34 o   53.110   3.2276  343.033   40.286  353.200   56.881  332.800   57.066   53.127   4.5788   51.450   4.7508 1.676983 6.598148 
1 1 1    7   23   35 o   50.085   3.0365  304.923   35.743  294.900   50.480  315.000   50.616   48.459   4.4615   50.191   4.3126 -1.731922 6.205122 
1 1 1    7   23   36 o   42.905   2.7213  223.255   27.428  226.300   38.755  220.200   38.824   42.620   3.8938   41.999   3.9615 0.6204681 5.554783 
1 1 1    7   23   37 o   62.864   3.7359  490.142   55.208  504.400   78.099  475.900   78.055   62.227   5.3675   60.243   5.5493 1.984142 7.720412 
1 1 1    7   23   38 o   49.884   3.0531  304.684   35.791  311.900   50.672  297.500   50.559   49.563   4.3745   48.315   4.4826 1.247890 6.263384 
1 1 1    7   23   39 o   22.482   1.8662   60.872   9.8178   65.400   13.928   56.400   13.841   23.105   2.5980   21.369   2.8112 1.736013 3.827841 
1 1 1    7   23   40 f   21.526   1.8543   55.890   9.3338   57.500   13.243   54.300   13.157   21.605   2.6515   20.964   2.7221 0.6413116 3.800027 
1 1 1    7   23   41 o   27.335   2.0296   90.446   13.007  100.300   18.446   80.700   18.344   28.499   2.7762   25.386   3.1261 3.112654 4.180917 
1 1 1    7   23   42 o   31.920   2.0833  123.677   15.617  154.200   22.168   93.600   22.005   35.356   2.6750   27.059   3.5278 8.296442 4.427304 
1 1 1    7   23   43 o   22.340   1.8175   60.536   9.5047   77.600   13.487   43.700   13.397   25.123   2.2989   18.434   3.1933 6.689249 3.934719 
1 1 1    7   23   44 o   14.959   1.9409   27.542   6.6944   33.200   9.0482   20.700   9.9505   16.274   2.4288   12.531   3.3125 3.743148 4.107518 
1 1 1    7   23   45 o   8.9948   1.8453   10.136   3.7879   9.8000   4.9711   10.600   5.8491   8.7751   2.3514   9.1168   2.5934 -0.3417034 3.500730 
1 1 1    7   23   46 o   10.866   1.9978   14.815   4.9373   20.400   6.5965   7.7000   7.4452   12.701   2.2833   8.2788   2.9816 4.422676 3.755444 
1 1 1    7   23   47 o   17.075   2.6479   37.400   10.330   37.400   10.330   0.0000   0.0000   17.075   2.6479  ?   ?  0.000000 2.647901 
1 1 1    7   23   48 o   18.671   2.7248   45.500   11.660   45.500   11.660   0.0000   0.0000   18.671   2.7248  ?   ?  0.000000 2.724765 
1 1 1    7   23   49 o   5.9566   2.0966   4.1000   3.6612   4.1000   3.6612   0.0000   0.0000   5.9566   2.0966  ?   ?  0.000000 2.096573 
1 1 1    7   23   50 o   16.934   2.8421   39.800   10.962   39.800   10.962   0.0000   0.0000   16.934   2.8421  ?   ?  0.000000 2.842070 
1 1 1    7   23   51 o   6.3819   2.3820   4.7000   4.8206   4.7000   4.8206   0.0000   0.0000   6.3819   2.3820  ?   ?  0.000000 2.382012 
1 1 1    7   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   24    0 o  161.483   12.652  3177.00  475.644  3177.00  475.644  3177.00  475.644  161.483   12.652  161.483   12.652 -0.000000 0.000000 
1 1 1    7   24    1 o  139.319   7.6642  2321.98  251.168  2469.40  354.686  2173.70  355.728  142.857   10.590  133.731   11.373 9.125580 15.53968 
1 1 1    7   24    2 o  181.539   9.6274  3965.00  411.229  3792.80  580.398  4138.60  582.740  175.676   14.110  183.844   13.518 -8.168243 19.54067 
1 1 1    7   24    3 f  207.643   9.9505  5180.04  487.895  4220.30  687.290  6155.00  692.717  184.354   15.945  224.568   13.120 -40.21445 20.64894 
1 1 1    7   24    4 o  147.319   7.5153  2595.01  260.569  2319.30  367.384  2874.10  369.627  138.124   11.365  154.262   10.205 -16.13855 15.27398 
1 1 1    7   24    5 o  111.035   6.0523  1469.69  158.089  1589.30  223.539  1350.00  223.604  115.011   8.2865  105.770   9.0395 9.240402 12.26291 
1 1 1    7   24    6 o  105.115   5.7654  1316.48  142.559  1333.20  201.122  1299.60  202.100  105.311   8.1511  103.933   8.3041 1.378448 11.63613 
1 1 1    7   24    7 o   79.219   4.4949  746.143   83.738  810.800  118.247  681.100  118.600   82.355   6.1243   75.337   6.7378 7.017967 9.105200 
1 1 1    7   24    8 o  115.065   6.3144  1579.86  170.912  1695.60  241.535  1463.80  241.877  118.675   8.6792  110.031   9.3995 8.644234 12.79376 
1 1 1    7   24    9 o  184.553   9.9140  4112.24  430.466  4018.90  607.924  4206.10  609.622  180.256   14.403  184.605   14.091 -4.349518 20.14933 
1 1 1    7   24   10 o  118.878   6.5329  1688.66  182.685  1817.40  258.150  1559.50  258.562  122.708   8.9713  113.391   9.7514 9.317017 13.25048 
1 1 1    7   24   11 o  153.857   8.3896  2846.90  303.655  3104.00  429.265  2589.40  429.601  159.434   11.479  145.019   12.673 14.41475 17.09846 
1 1 1    7   24   12 o   70.256   4.0076  586.878   66.211  623.000   93.535  550.600   93.737   72.171   5.5305   67.756   5.9181 4.415306 8.100064 
1 1 1    7   24   13 o  229.380   12.263  6468.31  661.828  7207.20  936.629  5731.50  935.305  238.155   16.762  210.114   19.058 28.04089 25.38088 
1 1 1    7   24   14 o  202.646   11.059  5027.95  527.194  4850.10  745.455  5205.90  745.675  194.981   16.341  202.608   15.709 -7.626724 22.66726 
1 1 1    7   24   15 o  141.507   7.6946  2414.50  256.148  2359.00  362.257  2470.00  362.240  138.279   11.190  141.660   10.913 -3.380615 15.63051 
1 1 1    7   24   16 o  132.114   6.9461  2100.69  215.937  2448.00  305.630  1754.50  305.132  141.666   9.1858  119.000   10.983 22.66584 14.31772 
1 1 1    7   24   17 o   41.219   2.5245  201.839   24.453  232.100   34.674  171.900   34.489   44.116   3.3536   37.846   3.9158 6.269783 5.155624 
1 1 1    7   24   18 o   56.634   3.3703  381.905   44.868  425.900   63.378  337.700   63.528   59.625   4.5354   52.934   5.1476 6.690872 6.860567 
1 1 1    7   24   19 o   37.821   2.3921  170.041   21.254  194.500   30.125  145.800   29.990   40.362   3.1867   34.830   3.7032 5.532070 4.885569 
1 1 1    7   24   20 o   70.602   4.0053  595.653   66.501  598.100   93.983  593.200   94.110   70.318   5.7094   70.018   5.7425 0.2996750 8.097725 
1 1 1    7   24   21 o   24.828   1.9615   73.409   11.406   78.900   16.118   67.900   16.143   25.652   2.7015   23.738   2.9431 1.913921 3.995023 
1 1 1    7   24   22 o   90.176   5.0150  979.835  106.368  993.300  150.508  966.400  150.345   89.876   7.1509   88.595   7.2500 1.280701 10.18323 
1 1 1    7   24   23 o   67.521   3.8382  546.249   60.945  577.800   86.259  514.800   86.119   68.991   5.3363   64.983   5.6690 4.007500 7.785489 
1 1 1    7   24   24 o  116.209   6.3747  1655.77  174.259  1821.90  246.610  1490.10  246.269  119.980   8.7651  107.556   9.8041 12.42344 13.15097 
1 1 1    7   24   25 o   28.972   2.1040  100.041   14.296  103.000   20.250   97.100   20.186   29.267   2.9713   28.392   3.0592 0.8750801 4.264616 
1 1 1    7   24   26 o   78.553   4.3748  745.083   80.826  684.800  114.195  805.600  114.416   74.265   6.5799   80.898   6.0329 -6.632919 8.926993 
1 1 1    7   24   27 f   43.138   2.6959  222.344   27.324  212.600   38.631  232.100   38.655   41.893   3.9517   43.835   3.7710 -1.942368 5.462317 
1 1 1    7   24   28 o   63.170   3.6335  480.154   53.972  501.300   76.411  459.100   76.245   63.979   5.1001   61.107   5.3375 2.872723 7.382423 
1 1 1    7   24   29 o   37.798   2.4059  170.676   21.362  156.200   30.133  185.300   30.287   35.887   3.6046   39.194   3.3033 -3.307045 4.889293 
1 1 1    7   24   30 o   60.824   3.5444  446.534   50.687  437.100   71.624  456.000   71.742   59.465   5.1516   60.802   5.0423 -1.336449 7.208642 
1 1 1    7   24   31 o   92.591   5.3209  1066.43  115.846  1088.50  163.727  1044.30  163.936   91.101   7.6826   88.993   7.8827 2.108269 11.00721 
1 1 1    7   24   32 o   50.707   3.0670  310.621   36.550  321.300   51.761  300.000   51.619   51.007   4.3387   49.198   4.4928 1.808285 6.245782 
1 1 1    7   24   33 o   29.417   2.0940  103.785   14.451  110.600   20.536   97.100   20.339   30.158   2.9203   28.184   3.1076 1.973181 4.264455 
1 1 1    7   24   34 f   17.800   1.7656   38.088   7.3233   39.200   10.416   37.000   10.298   17.896   2.5357   17.364   2.5910 0.5325356 3.625287 
1 1 1    7   24   35 o   58.650   3.5029  422.746   48.291  440.100   68.301  405.400   68.287   58.702   4.9741   56.123   5.2123 2.579712 7.204795 
1 1 1    7   24   36 o   11.787   1.6951   16.889   4.5825   21.300   6.4522   12.400   6.5095   13.169   2.1490   9.9629   2.6997 3.206072 3.450597 
1 1 1    7   24   37 o   21.984   1.8663   58.151   9.5967   56.700   13.576   59.600   13.568   21.477   2.7393   22.051   2.6594 -0.5745220 3.817833 
1 1 1    7   24   38 o   32.421   2.2125  126.889   16.837  150.000   23.843  103.900   23.780   34.992   2.9120   28.808   3.5723 6.183783 4.608825 
1 1 1    7   24   39 o   13.753   1.7377   22.943   5.5173   21.600   7.5294   24.500   8.1080   13.157   2.5152   14.026   2.5416 -0.8692837 3.575775 
1 1 1    7   24   40 o   22.109   1.8513   59.015   9.5765   65.000   13.583   53.100   13.504   22.995   2.5441   20.655   2.8441 2.340858 3.815949 
1 1 1    7   24   41 o   21.568   1.8410   56.283   9.2865   67.800   13.172   44.900   13.095   23.497   2.4079   18.843   3.0470 4.654236 3.883612 
1 1 1    7   24   42 o   15.800   1.6939   30.297   6.2214   34.900   8.8499   25.800   8.7477   16.795   2.2912   14.272   2.6944 2.523241 3.536855 
1 1 1    7   24   43 o   18.170   1.6241   39.973   6.8948   26.600   9.4205   55.400   10.118   14.393   2.8725   21.276   2.0390 -6.882993 3.522587 
1 1 1    7   24   44 o   13.518   1.7734   22.421   5.5241   20.900   7.4300   24.300   8.2604   12.803   2.5473   13.799   2.6310 -0.9966249 3.662083 
1 1 1    7   24   45 o   19.601   1.9458   47.123   8.8873   50.300   12.176   43.500   13.002   19.953   2.6498   18.309   3.1190 1.644350 4.092633 
1 1 1    7   24   46 o   28.230   2.1076   98.216   13.948   91.100   19.482  105.700   19.978   26.495   3.1772   28.700   2.9918 -2.205303 4.364153 
1 1 1    7   24   47 o   29.491   3.2959  115.500   22.560  115.500   22.560   0.0000   0.0000   29.491   3.2959  ?   ?  0.000000 3.295928 
1 1 1    7   24   48 o   15.134   2.6002   30.200   8.9577   30.200   8.9577   0.0000   0.0000   15.134   2.6002  ?   ?  0.000000 2.600232 
1 1 1    7   24   49 o   12.939   2.8149   23.200   8.3560   23.200   8.3560   0.0000   0.0000   12.939   2.8149  ?   ?  0.000000 2.814896 
1 1 1    7   24   50 o   9.6723   2.8104   13.300   6.8009   13.300   6.8009   0.0000   0.0000   9.6723   2.8104  ?   ?  0.000000 2.810440 
1 1 1    7   24   51 o   9.4795   2.7179   12.900   6.3988   12.900   6.3988   0.0000   0.0000   9.4795   2.7179  ?   ?  0.000000 2.717922 
1 1 1    7   24   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   25    0 o   28.206   3.1121   97.400   20.084   97.400   20.084   97.400   20.084   28.206   3.1121   28.206   3.1121 -0.000000 0.000000 
1 1 1    7   25    1 o  128.612   6.9516  1976.33  210.335  2178.50  297.549  1774.40  297.370  134.400   9.4354  120.910   10.520 13.49021 14.13154 
1 1 1    7   25    2 o  240.292   12.829  7047.69  725.298  7741.60  1027.25  6357.90  1024.20  248.341   17.632  223.387   19.615 24.95464 26.37478 
1 1 1    7   25    3 o  127.407   6.7665  1938.62  202.843  1832.70  286.355  2045.30  287.375  123.053   9.9397  130.196   9.4107 -7.143616 13.68797 
1 1 1    7   25    4 o  128.488   7.0768  1973.98  213.888  2208.30  302.268  1739.00  302.700  135.255   9.5248  119.547   10.841 15.70875 14.43071 
1 1 1    7   25    5 o  258.201   14.310  8215.68  869.094  8834.20  1228.46  7595.90  1229.71  262.691   19.953  241.725   21.778 20.96600 29.53619 
1 1 1    7   25    6 f  129.297   6.2862  1989.95  191.927  1650.90  270.243  2335.00  272.625  116.678   9.9020  139.399   8.3201 -22.72007 12.93342 
1 1 1    7   25    7 o  252.456   13.945  7858.20  828.067  8017.70  1169.77  7698.00  1172.36  249.524   20.022  243.946   20.543 5.577728 28.68599 
1 1 1    7   25    8 o   25.637   1.9952   78.138   11.984   77.500   16.794   78.800   17.105   25.440   2.8443   25.651   2.8733 -0.2115326 4.042960 
1 1 1    7   25    9 o   59.676   3.4260  422.987   48.075  497.900   68.017  348.200   67.960   64.636   4.4841   53.858   5.4172 10.77798 7.032289 
1 1 1    7   25   10 o  118.790   6.5212  1688.26  182.224  1787.00  257.495  1589.20  257.913  121.504   9.0393  114.349   9.6416 7.155663 13.21625 
1 1 1    7   25   11 o  157.341   8.6850  2989.00  321.431  3130.90  453.783  2846.10  455.364  159.389   12.148  151.555   12.845 7.834290 17.67967 
1 1 1    7   25   12 o   86.465   4.6919  890.734   95.438  967.900  135.115  813.900  134.824   89.803   6.4139   82.173   7.0155 7.629745 9.505500 
1 1 1    7   25   13 o  211.421   11.502  5507.31  572.090  5162.80  808.594  5852.60  809.522  199.506   17.336  213.722   16.160 -14.21573 23.69984 
1 1 1    7   25   14 o  186.507   10.222  4263.65  448.483  4334.70  634.269  4192.60  634.232  184.535   14.677  181.222   14.954 3.312759 20.95353 
1 1 1    7   25   15 o   97.718   5.0383  1140.94  115.861  1386.00  164.141  897.600  163.565  107.320   6.5078   85.776   8.1742 21.54332 10.44839 
1 1 1    7   25   16 o   71.798   4.0538  614.694   68.447  602.400   96.776  627.000   96.822   70.697   5.8496   72.165   5.7289 -1.468147 8.187654 
1 1 1    7   25   17 o   86.503   4.6912  895.041   95.467  1021.70  135.122  768.800  134.899   91.991   6.2576   79.417   7.2742 12.57388 9.595412 
1 1 1    7   25   18 o   35.347   2.3678  148.602   19.649  148.800   27.679  148.400   27.898   35.239   3.3673   35.186   3.4001 0.5260086E-01 4.785327 
1 1 1    7   25   19 f   59.820   3.4628  426.843   48.706  419.800   68.847  433.900   68.914   59.001   4.9883   60.011   4.9060 -1.009624 6.996603 
1 1 1    7   25   20 f   96.008   5.3369  1111.57  120.516  1130.30  170.342  1092.80  170.529   95.807   7.5916   94.118   7.7416 1.688820 10.84273 
1 1 1    7   25   21 o   50.363   3.0201  302.498   35.751  297.900   50.546  307.100   50.573   49.712   4.3497   50.495   4.2817 -0.7831879 6.103490 
1 1 1    7   25   22 o   69.568   3.9268  580.298   64.243  622.800   90.910  537.900   90.798   71.595   5.4174   66.348   5.8555 5.247009 7.977212 
1 1 1    7   25   23 o   11.534   1.7034   16.086   4.5000   14.600   6.4448   17.500   6.2861   10.873   2.5537   11.946   2.3120 -1.072982 3.444814 
1 1 1    7   25   24 o   47.851   2.8452  273.359   32.005  303.500   45.330  243.400   45.193   50.207   3.8529   44.812   4.3246 5.395348 5.791933 
1 1 1    7   25   25 o   39.346   2.4629  184.629   22.768  209.900   32.276  159.600   32.121   41.805   3.2963   36.308   3.8029 5.497269 5.032649 
1 1 1    7   25   26 o   19.621   1.8000   45.999   8.2469   45.700   11.643   46.300   11.683   19.432   2.6027   19.563   2.5930 -0.1307201 3.673957 
1 1 1    7   25   27 f   92.204   5.1924  1039.05  112.593  1016.70  159.225  1061.40  159.237   89.497   7.6063   91.602   7.4256 -2.104919 10.62994 
1 1 1    7   25   28 o   27.286   2.0344   88.875   13.014  100.300   18.425   77.500   18.384   28.877   2.7346   25.265   3.1499 3.611204 4.171305 
1 1 1    7   25   29 o   11.801   1.7810   16.885   4.8084   11.700   6.9297   21.700   6.6775   9.7937   2.8344   13.338   2.1967 -3.543955 3.585979 
1 1 1    7   25   30 o   19.192   1.7895   44.106   8.0163   45.800   11.318   42.400   11.356   19.430   2.5265   18.656   2.6524 0.7732391 3.663167 
1 1 1    7   25   31 o   23.057   1.8898   63.640   10.199   65.500   14.463   61.800   14.384   23.235   2.6855   22.544   2.7597 0.6914787 3.850664 
1 1 1    7   25   32 o   54.618   3.2552  362.312   41.793  388.600   59.147  336.100   59.061   55.864   4.5225   51.702   4.8959 4.162216 6.665092 
1 1 1    7   25   33 o   55.547   3.3098  376.106   43.217  397.400   61.181  354.900   61.055   56.265   4.6464   52.951   4.9401 3.314869 6.781815 
1 1 1    7   25   34 o   39.304   2.5651  186.716   23.677  180.700   33.528  192.700   33.440   38.158   3.7703   39.485   3.6271 -1.326637 5.231700 
1 1 1    7   25   35 o   22.384   1.8814   60.243   9.8524   61.600   13.968   58.900   13.899   22.431   2.6908   21.911   2.7468 0.5201664 3.845166 
1 1 1    7   25   36 o   35.214   2.3792  149.855   19.668  157.300   27.805  142.400   27.824   35.695   3.3375   33.861   3.5317 1.834286 4.859211 
1 1 1    7   25   37 o   32.817   2.2543  130.031   17.363  135.500   24.599  124.600   24.511   33.148   3.1817   31.715   3.3222 1.432884 4.600084 
1 1 1    7   25   38 o   28.476   2.0254   97.696   13.530  110.000   19.217   85.600   19.054   29.982   2.7447   26.276   3.1326 3.706425 4.164946 
1 1 1    7   25   39 f   14.739   1.6982   26.299   5.8022   26.600   8.2173   26.000   8.1937   14.633   2.4658   14.457   2.4900 0.1759768 3.504289 
1 1 1    7   25   40 o   48.217   2.9379  287.147   33.291  319.100   47.157  255.400   47.005   49.886   4.0378   44.110   4.5795 5.776062 6.105411 
1 1 1    7   25   41 o   27.286   1.9143   90.112   12.256  110.400   17.481   70.500   17.187   29.971   2.4927   23.613   3.1619 6.357819 4.026281 
1 1 1    7   25   42 o   33.897   2.2378  140.600   17.811  174.600   25.245  106.900   25.133   37.371   2.8830   28.594   3.8176 8.776823 4.783950 
1 1 1    7   25   43 o   30.701   2.1784  115.554   15.690  108.000   21.783  123.700   22.619   29.047   3.2305   31.188   3.1129 -2.141390 4.486216 
1 1 1    7   25   44 o   17.480   1.8323   37.348   7.4505   46.100   10.479   28.400   10.596   19.241   2.3555   14.737   3.1409 4.503832 3.926000 
1 1 1    7   25   45 o   12.220   1.9919   18.632   5.5498   25.400   7.4713   10.300   8.2894   14.198   2.3077   9.2079   3.1597 4.990398 3.912647 
1 1 1    7   25   46 o   28.842   2.1916  103.310   14.814  102.200   20.598  104.500   21.321   27.953   3.1771   28.196   3.2626 -0.2428627 4.553922 
1 1 1    7   25   47 o   10.352   2.4727   14.100   5.9616   14.100   5.9616   0.0000   0.0000   10.352   2.4727  ?   ?  0.000000 2.472719 
1 1 1    7   25   48 o   12.945   2.8650   23.000   8.5259   23.000   8.5259   0.0000   0.0000   12.945   2.8650  ?   ?  0.000000 2.865025 
1 1 1    7   25   49 o   19.489   2.9577   53.100   13.184   53.100   13.184   0.0000   0.0000   19.489   2.9577  ?   ?  0.000000 2.957736 
1 1 1    7   25   50 o   8.6557   2.6632   10.500   5.9751   10.500   5.9751   0.0000   0.0000   8.6557   2.6632  ?   ?  0.000000 2.663211 
1 1 1    7   25   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   26    0 o  313.258   25.660 12614.70  1868.84 12614.70  1868.84 12614.70  1868.84  313.258   25.660  313.258   25.660 -0.000000 0.000000 
1 1 1    7   26    1 o  188.668   9.9243  4303.13  440.586  3880.00  621.503  4730.60  624.675  176.462   15.059  195.884   13.589 -19.42198 20.28416 
1 1 1    7   26    2 o   74.413   3.9295  657.779   68.803  773.100   97.871  545.100   96.743   80.522   5.1747   67.398   6.1463 13.12342 8.034564 
1 1 1    7   26    3 o  183.220   9.6607  4055.46  416.491  3523.50  588.189  4590.40  589.830  168.081   14.976  193.224   13.003 -25.14243 19.83349 
1 1 1    7   26    4 o  111.711   5.3234  1482.77  140.424  1204.30  197.394  1768.10  199.808   99.859   8.4505  121.514   6.9930 -21.65494 10.96868 
1 1 1    7   26    5 o  111.306   6.1615  1479.91  161.314  1625.40  227.932  1333.90  228.333  116.113   8.3692  104.860   9.3185 11.25294 12.52511 
1 1 1    7   26    6 o  212.612   10.467  5476.10  525.516  4557.60  740.516  6408.00  745.899  189.697   16.702  227.392   13.959 -37.69548 21.76694 
1 1 1    7   26    7 o  183.202   9.7419  4066.41  419.924  4796.90  594.206  3337.60  593.519  197.218   12.829  162.662   15.645 34.55667 20.23249 
1 1 1    7   26    8 o  222.886   12.298  6112.25  644.770  6284.20  911.176  5939.80  912.511  221.459   17.568  214.695   18.170 6.763626 25.27411 
1 1 1    7   26    9 o  217.258   11.877  5803.68  607.033  5734.90  856.785  5873.00  860.174  211.331   17.321  214.025   17.164 -2.693863 24.38529 
1 1 1    7   26   10 o   70.045   3.9889  583.853   65.704  601.500   92.780  566.100   93.059   70.836   5.5922   68.668   5.7932 2.167725 8.051950 
1 1 1    7   26   11 o   10.633   1.7961   13.731   4.3490   12.300   5.7143   15.700   6.7044   9.9989   2.4414   11.296   2.5713 -1.296743 3.545674 
1 1 1    7   26   12 o   11.671   1.7557   16.457   4.6887   11.800   6.0605   23.400   7.3998   9.8101   2.5813   13.876   2.3418 -4.065455 3.485261 
1 1 1    7   26   13 o  193.043   10.414  4588.28  472.942  4111.00  668.375  5066.90  669.309  177.733   16.100  199.327   14.315 -21.59419 21.54399 
1 1 1    7   26   14 o   39.060   2.4881  181.314   22.829  199.800   32.317  162.900   32.253   40.904   3.3760   36.850   3.7592 4.054218 5.052620 
1 1 1    7   26   15 o   94.883   5.1742  1078.83  115.493  1209.90  163.408  948.000  163.255   99.916   6.9695   88.039   7.9382 11.87680 10.56360 
1 1 1    7   26   16 o   78.003   4.3201  727.255   79.263  794.800  112.174  659.900  112.016   81.141   5.8948   73.716   6.5017 7.424805 8.776153 
1 1 1    7   26   17 o  128.170   7.0604  1998.51  212.862  2007.50  300.913  1989.50  301.152  126.498   10.160  125.883   10.219 0.6148758 14.41013 
1 1 1    7   26   18 o   55.192   3.3655  363.479   43.652  402.600   61.516  323.800   61.953   57.858   4.5390   51.708   5.1422 6.150318 6.858932 
1 1 1    7   26   19 f   30.214   2.1632  108.672   15.332  115.700   21.649  101.600   21.716   31.071   2.9876   29.060   3.2187 2.010757 4.391530 
1 1 1    7   26   20 o   80.003   4.4944  769.348   84.564  761.000  119.579  777.700  119.602   78.820   6.4822   79.718   6.4077 -0.8978577 9.114705 
1 1 1    7   26   21 o   76.895   4.2834  710.830   77.469  762.600  109.685  659.300  109.430   79.025   5.9209   73.247   6.3908 5.778389 8.712038 
1 1 1    7   26   22 o   31.918   2.1549  121.320   16.146  138.200   22.888  104.600   22.780   33.969   2.8806   29.437   3.3361 4.531944 4.407652 
1 1 1    7   26   23 o   76.027   4.3106  696.607   77.068  719.200  108.974  674.000  109.007   76.496   6.0831   73.932   6.3042 2.564232 8.760497 
1 1 1    7   26   24 o   46.699   2.8689  260.616   31.484  253.000   44.572  268.200   44.477   45.703   4.1762   47.103   4.0378 -1.400925 5.808992 
1 1 1    7   26   25 o   29.894   2.0990  106.545   14.723  120.700   20.863   92.500   20.781   31.712   2.8152   27.646   3.2449 4.066101 4.295907 
1 1 1    7   26   26 o   33.345   2.2623  132.675   17.708  124.400   25.005  141.000   25.080   32.078   3.3506   34.218   3.1389 -2.140083 4.591249 
1 1 1    7   26   27 o   28.356   2.0801   95.985   13.831  105.200   19.575   86.800   19.543   29.560   2.8394   26.760   3.1533 2.799864 4.243305 
1 1 1    7   26   28 f   54.768   3.2544  360.902   41.899  365.600   59.239  356.200   59.268   54.607   4.6379   53.866   4.7068 0.7407990 6.607941 
1 1 1    7   26   29 o   50.829   3.0759  311.105   36.745  304.100   51.982  318.100   51.948   49.716   4.4759   50.906   4.3638 -1.189369 6.251077 
1 1 1    7   26   30 o   39.142   2.5226  183.937   23.192  179.200   32.754  188.700   32.844   38.283   3.6681   39.326   3.5758 -1.042938 5.122668 
1 1 1    7   26   31 o   42.883   2.7010  221.647   27.211  220.800   38.422  222.500   38.543   42.345   3.8858   42.511   3.8825 -0.1655388 5.493039 
1 1 1    7   26   32 o   36.516   2.4221  160.494   20.767  157.000   29.343  164.000   29.395   35.740   3.5227   36.565   3.4450 -0.8253784 4.927167 
1 1 1    7   26   33 o   41.936   2.6794  212.762   26.394  217.900   37.285  207.600   37.370   41.938   3.8064   40.870   3.9203 1.068203 5.464192 
1 1 1    7   26   34 o   49.189   3.0287  294.956   35.009  298.400   49.466  291.500   49.554   48.681   4.3490   48.065   4.4154 0.6155434 6.197492 
1 1 1    7   26   35 o   33.392   2.2970  134.549   18.002  134.400   25.407  134.700   25.510   33.000   3.3049   33.033   3.3151 -0.3292084E-01 4.681050 
1 1 1    7   26   36 o   55.115   3.2826  373.339   42.529  345.700   60.078  401.100   60.211   51.735   4.9793   56.112   4.5843 -4.376431 6.768240 
1 1 1    7   26   37 o   34.550   2.3806  144.542   19.303  154.600   27.243  134.400   27.356   35.341   3.3027   32.795   3.5911 2.545834 4.878921 
1 1 1    7   26   38 o   30.533   2.1655  112.732   15.512   99.600   21.922  125.900   21.952   28.224   3.3549   31.967   2.9412 -3.742447 4.461618 
1 1 1    7   26   39 o   28.983   2.0864  101.703   14.184  117.900   20.088   85.600   20.030   30.930   2.7801   26.076   3.3289 4.854055 4.337092 
1 1 1    7   26   40 o   28.797   2.0982  100.713   14.169  112.800   20.069   88.700   20.008   30.140   2.8538   26.496   3.2671 3.644270 4.337982 
1 1 1    7   26   41 o   19.035   1.7492   43.928   7.7744   58.000   11.023   30.000   10.967   21.751   2.1753   15.237   3.1520 6.513642 3.829733 
1 1 1    7   26   42 o   19.125   1.7899   44.493   7.9895   47.600   11.312   41.400   11.286   19.522   2.5121   18.101   2.7249 1.421186 3.706190 
1 1 1    7   26   43 o   20.482   1.9309   51.282   9.2288   53.500   12.700   48.800   13.433   20.615   2.6719   19.515   3.0120 1.099604 4.026307 
1 1 1    7   26   44 o   11.923   1.9901   17.729   5.4055   24.200   7.2644   9.7000   8.0913   13.868   2.2988   9.0153   3.1201 4.852678 3.875497 
1 1 1    7   26   45 o   22.304   1.9586   61.151   10.211   60.300   14.063   62.100   14.850   21.709   2.8093   21.959   2.9376 -0.2495670 4.064688 
1 1 1    7   26   46 o   10.382   2.3733   14.000   5.6917   14.000   5.6917   0.0000   0.0000   10.382   2.3733  ?   ?  0.000000 2.373323 
1 1 1    7   26   47 o   36.628   4.2133  200.000   35.778  200.000   35.778   0.0000   0.0000   36.628   4.2133  ?   ?  0.000000 4.213294 
1 1 1    7   26   48 o   14.255   2.8720   28.200   9.3333   28.200   9.3333   0.0000   0.0000   14.255   2.8720  ?   ?  0.000000 2.872021 
1 1 1    7   26   49 o   5.9968   2.3477   3.5000   4.8308   3.5000   4.8308   0.0000   0.0000   5.9968   2.3477  ?   ?  0.000000 2.347710 
1 1 1    7   26   50 f   12.274   2.8119   21.600   7.9750   21.600   7.9750   0.0000   0.0000   12.274   2.8119  ?   ?  0.000000 2.811870 
1 1 1    7   26   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   27    0 o   25.494   3.0216   80.000   17.517   80.000   17.517   80.000   17.517   25.494   3.0216   25.494   3.0216 0.000000 0.000000 
1 1 1    7   27    1 o   80.953   4.5001  780.121   85.684  756.100  120.853  804.400  121.501   79.339   6.5080   81.885   6.3329 -2.546417 9.080764 
1 1 1    7   27    2 o   88.217   4.7685  926.873   98.966  1034.10  140.339  820.800  139.582   92.876   6.4387   82.519   7.2364 10.35674 9.686209 
1 1 1    7   27    3 o   85.107   4.6209  862.462   92.517  759.600  130.562  966.200  131.117   79.397   7.0368   89.799   6.2217 -10.40271 9.392859 
1 1 1    7   27    4 o  129.608   6.6819  2012.18  203.804  1706.50  287.303  2321.80  289.152  118.103   10.408  138.507   8.8878 -20.40325 13.68664 
1 1 1    7   27    5 o  109.942   6.0898  1446.00  157.482  1634.10  222.565  1257.40  222.860  116.312   8.1551  101.564   9.3990 14.74706 12.44372 
1 1 1    7   27    6 o   83.500   4.6939  830.982   92.176  946.200  130.282  715.500  130.432   88.810   6.2523   76.937   7.2653 11.87264 9.585196 
1 1 1    7   27    7 o  173.087   8.7147  3626.89  355.046  3109.50  500.307  4151.80  503.935  157.463   13.588  183.441   11.695 -25.97842 17.92789 
1 1 1    7   27    8 o  158.202   8.6734  3034.12  322.780  3164.70  456.181  2903.20  456.780  159.584   12.198  152.426   12.810 7.157990 17.68828 
1 1 1    7   27    9 o  119.033   6.5640  1702.03  183.787  1786.10  259.645  1617.60  260.185  120.985   9.1562  114.884   9.6811 6.100624 13.32516 
1 1 1    7   27   10 o   56.260   3.2066  376.283   42.423  350.100   59.750  402.900   60.243   54.038   4.7301   58.048   4.4284 -4.010826 6.479557 
1 1 1    7   27   11 o   63.901   3.5259  485.879   52.998  546.600   75.118  425.700   74.782   67.588   4.7366   59.480   5.3826 8.107574 7.169943 
1 1 1    7   27   12 o   92.247   5.0279  1018.23  109.109  1129.80  154.423  907.000  154.184   96.663   6.8088   86.285   7.6465 10.37830 10.23862 
1 1 1    7   27   13 f   54.665   3.2053  355.666   41.194  370.000   58.326  341.400   58.189   55.551   4.4846   53.312   4.6693 2.239342 6.474101 
1 1 1    7   27   14 o   72.182   3.9523  621.745   67.109  527.800   94.779  716.200   95.036   65.972   6.1551   77.188   5.2452 -11.21567 8.086858 
1 1 1    7   27   15 o   78.176   4.3418  731.112   79.835  672.600  112.819  789.800  112.988   74.370   6.4893   80.807   5.9635 -6.436676 8.813285 
1 1 1    7   27   16 o   61.195   3.5401  446.906   50.938  440.100   72.071  453.700   72.004   60.381   5.1025   61.336   5.0153 -0.9546509 7.154601 
1 1 1    7   27   17 o   83.480   4.6540  836.729   91.377  897.700  129.249  775.800  129.204   85.845   6.4225   79.562   6.9469 6.283577 9.460863 
1 1 1    7   27   18 o   80.049   4.4378  769.356   83.557  742.100  117.647  797.100  118.694   77.897   6.4540   80.827   6.2679 -2.930046 8.996647 
1 1 1    7   27   19 o   54.519   3.2305  355.014   41.404  315.300   58.565  394.700   58.544   50.971   4.9272   57.235   4.3646 -6.263306 6.582349 
1 1 1    7   27   20 o   36.889   2.4181  162.147   20.948  163.300   29.662  161.000   29.587   36.849   3.4490   36.583   3.4663 0.2658081 4.889898 
1 1 1    7   27   21 o   83.650   4.7003  845.098   92.468  797.500  130.768  892.700  130.772   80.184   6.9759   85.096   6.5585 -4.912735 9.574835 
1 1 1    7   27   22 o   76.527   4.3229  706.082   77.798  690.300  109.961  721.900  110.085   74.812   6.2827   76.589   6.1386 -1.776596 8.783741 
1 1 1    7   27   23 o   18.628   1.7173   41.442   7.4690   47.700   10.657   35.400   10.471   19.914   2.3092   17.049   2.6901 2.864687 3.545271 
1 1 1    7   27   24 f   96.329   5.4162  1134.46  122.701  1150.20  173.492  1118.70  173.560   95.299   7.7773   93.875   7.9030 1.423584 11.08806 
1 1 1    7   27   25 f   28.955   2.0967  100.024   14.239  104.800   20.193   95.300   20.081   29.498   2.9380   28.088   3.0780 1.409937 4.255129 
1 1 1    7   27   26 o   72.593   4.1772  638.588   71.304  610.600  100.907  666.500  100.771   69.932   6.1740   73.268   5.8739 -3.336052 8.521834 
1 1 1    7   27   27 o   38.549   2.5001  177.804   22.635  173.900   32.025  181.700   31.996   37.846   3.6280   38.718   3.5387 -0.8719521 5.068019 
1 1 1    7   27   28 o   51.218   3.0861  315.895   37.151  304.600   52.529  327.200   52.550   49.741   4.5216   51.643   4.3498 -1.901985 6.274226 
1 1 1    7   27   29 o   12.047   1.5894   17.514   4.4108   9.3000   6.1025   26.500   6.3825   8.7978   2.6889   14.816   1.8657 -6.017982 3.272747 
1 1 1    7   27   30 o   38.609   2.5173  179.299   22.825  179.700   32.327  178.900   32.233   38.284   3.6188   38.198   3.6165 0.8518982E-01 5.116173 
1 1 1    7   27   31 o   44.960   2.7977  244.294   29.555  252.100   41.812  236.500   41.782   45.163   3.9606   43.664   4.1004 1.499287 5.700876 
1 1 1    7   27   32 o   7.1208   1.8057   6.2745   3.0405   5.8000   4.4222   6.7000   4.1873   7.0769   2.3057   7.4353   2.2174 -0.3584428 3.198895 
1 1 1    7   27   33 o   30.488   2.1778  111.893   15.576  110.100   21.986  113.700   22.068   29.929   3.1587   30.435   3.1145 -0.5066185 4.435966 
1 1 1    7   27   34 o   16.947   1.7351   34.588   6.8458   36.400   9.7149   32.800   9.6484   17.227   2.4578   16.302   2.5932 0.9249630 3.572861 
1 1 1    7   27   35 o   44.326   2.7758  238.980   28.907  261.300   40.900  216.700   40.863   45.774   3.8187   41.405   4.2392 4.369686 5.705568 
1 1 1    7   27   36 o   30.871   2.2002  115.051   15.934  114.200   22.548  115.900   22.519   30.394   3.1891   30.635   3.1583 -0.2402706 4.488337 
1 1 1    7   27   37 o   27.420   2.0626   90.754   13.257   94.300   18.874   87.300   18.626   27.651   2.9354   26.560   3.0237 1.091034 4.214173 
1 1 1    7   27   38 o   42.450   2.6850  220.548   26.776  245.700   37.906  195.500   37.828   44.156   3.6686   39.002   4.1721 5.154312 5.555593 
1 1 1    7   27   39 o   21.506   1.8750   56.001   9.4265   56.900   13.326   55.100   13.336   21.404   2.6965   21.037   2.7504 0.3665447 3.851760 
1 1 1    7   27   40 o   25.042   1.9036   76.001   11.172   88.700   15.894   63.600   15.707   26.805   2.5414   22.445   3.0419 4.360394 3.963844 
1 1 1    7   27   41 o   6.2826   1.7288   4.9000   2.6454   7.8000   3.7411   2.0000   3.7411   7.8757   2.0061   5.2406   2.0616 2.635124 2.876580 
1 1 1    7   27   42 o   10.889   2.0165   14.823   4.9940   20.100   6.6092   7.8000   7.6242   12.637   2.2995   8.3914   3.0177 4.245651 3.794031 
1 1 1    7   27   43 o   33.918   2.3908  142.301   19.026  142.400   26.732  142.200   27.085   33.124   3.4692   33.053   3.5245 0.7057571E-01 4.945434 
1 1 1    7   27   44 o   17.962   1.8065   39.491   7.5583   39.200   10.535   39.800   10.850   17.566   2.6199   17.672   2.6846 -0.1063347 3.751128 
1 1 1    7   27   45 o   19.327   1.9867   46.283   8.9380   61.600   12.489   30.200   12.797   22.079   2.4360   14.747   3.6853 7.331779 4.417664 
1 1 1    7   27   46 o   8.6043   2.5936   9.7000   5.7062   9.7000   5.7062   0.0000   0.0000   8.6043   2.5936  ?   ?  0.000000 2.593608 
1 1 1    7   27   47 o   1.7989   0.9101  -6.5000   1.9022  -6.5000   1.9022   0.0000   0.0000   1.7989   0.9101  ?   ?  0.000000 0.9101481 
1 1 1    7   27   48 o   26.896   3.5246  106.600   21.847  106.600   21.847   0.0000   0.0000   26.896   3.5246  ?   ?  0.000000 3.524631 
1 1 1    7   27   49 o   5.3027   2.1783   1.9000   4.3751   1.9000   4.3751   0.0000   0.0000   5.3027   2.1783  ?   ?  0.000000 2.178271 
1 1 1    7   27   50 o   3.1956   1.5400  -4.8000   3.4582  -4.8000   3.4582   0.0000   0.0000   3.1956   1.5400  ?   ?  0.000000 1.540038 
1 1 1    7   28    0 o  144.312   11.445  2554.10  384.383  2554.10  384.383  2554.10  384.383  144.312   11.445  144.312   11.445 0.000000 0.000000 
1 1 1    7   28    1 o   65.696   3.7855  513.555   58.477  545.800   82.629  481.200   82.769   67.504   5.2244   63.289   5.5960 4.215023 7.655647 
1 1 1    7   28    2 o   72.000   3.8819  616.760   65.755  730.300   93.341  504.900   92.647   78.165   5.0847   64.728   6.1348 13.43744 7.968036 
1 1 1    7   28    3 o   82.327   4.5927  808.149   88.928  818.800  125.766  797.500  125.760   82.467   6.5113   81.358   6.6030 1.108719 9.273450 
1 1 1    7   28    4 o  171.952   9.3998  3602.60  380.225  3481.50  537.498  3723.90  537.941  166.082   13.831  172.182   13.335 -6.099838 19.21241 
1 1 1    7   28    5 o   32.506   2.2678  125.578   17.298  118.400   24.426  132.800   24.500   31.432   3.3422   33.335   3.1499 -1.902317 4.592609 
1 1 1    7   28    6 o  103.665   5.4962  1285.74  134.062  1459.30  190.176  1114.30  189.015  109.899   7.3710   95.610   8.4594 14.28922 11.22017 
1 1 1    7   28    7 o   53.411   3.0174  339.016   37.900  438.200   53.717  240.700   53.482   60.647   3.7696   44.643   5.1690 16.00480 6.397494 
1 1 1    7   28    8 o  135.542   7.4819  2222.62  238.541  2346.90  337.046  2097.90  337.650  137.750   10.439  129.801   11.123 7.948975 15.25491 
1 1 1    7   28    9 o   98.470   5.4211  1162.14  125.569  1156.80  177.410  1167.50  177.753   97.486   7.7714   97.947   7.7486 -0.4613266 10.97432 
1 1 1    7   28   10 f  105.193   5.6822  1328.71  140.622  1270.30  198.222  1387.90  199.523  101.883   8.3116  106.666   7.9793 -4.782463 11.52180 
1 1 1    7   28   11 o   82.300   4.3906  809.233   85.019  943.600  120.422  675.700  120.048   88.517   5.7932   74.518   6.9006 13.99879 9.009970 
1 1 1    7   28   12 o   61.957   3.5667  457.644   51.962  462.700   73.532  452.600   73.439   61.999   5.0669   61.302   5.1202 0.6973190 7.203407 
1 1 1    7   28   13 o  122.851   6.7466  1831.38  194.967  1862.30  275.794  1800.50  275.655  122.201   9.6357  120.030   9.8113 2.171417 13.75171 
1 1 1    7   28   14 o   13.730   1.8223   22.692   5.7623   15.500   8.3269   29.300   7.9821   11.245   3.0561   15.573   2.2347 -4.328053 3.785957 
1 1 1    7   28   15 o   82.034   4.5878  807.547   88.514  848.500  125.183  766.600  125.174   83.472   6.3997   79.177   6.7598 4.294228 9.308653 
1 1 1    7   28   16 o   47.682   2.8772  270.931   32.244  282.800   45.637  259.100   45.562   48.511   4.0202   46.380   4.2059 2.130501 5.818218 
1 1 1    7   28   17 o   33.164   2.1579  130.857   16.807  160.700   23.847  101.400   23.692   36.684   2.7734   28.960   3.5380 7.723442 4.495461 
1 1 1    7   28   18 o   18.398   1.7322   40.415   7.4367   55.200   10.566   25.900   10.469   21.481   2.1103   14.476   3.1519 7.004966 3.793127 
1 1 1    7   28   19 o   49.810   2.9999  296.249   35.120  294.300   49.653  298.200   49.681   49.355   4.3035   49.690   4.2757 -0.3356667 6.066463 
1 1 1    7   28   20 o   19.396   1.8120   44.937   8.2029   48.900   11.695   41.100   11.508   20.139   2.5140   18.399   2.7319 1.740486 3.712565 
1 1 1    7   28   21 o   32.433   2.2373  125.390   17.029  120.500   24.057  130.300   24.109   31.617   3.2695   32.916   3.1399 -1.298426 4.533069 
1 1 1    7   28   22 o   28.550   2.0754   97.178   13.896  103.100   19.689   91.300   19.615   29.284   2.8848   27.506   3.0725 1.778622 4.214483 
1 1 1    7   28   23 o   31.584   2.1952  118.976   16.270  112.200   22.970  125.800   23.050   30.483   3.2408   32.334   3.0551 -1.851398 4.453827 
1 1 1    7   28   24 o   28.050   2.0555   93.871   13.520  101.200   19.158   86.600   19.082   29.000   2.8339   26.758   3.0759 2.242062 4.182344 
1 1 1    7   28   25 o   37.895   2.4723  171.652   22.002  171.000   31.161  172.300   31.071   37.580   3.5536   37.730   3.5283 -0.1500549 5.007744 
1 1 1    7   28   26 f   26.729   2.0229   85.350   12.673   88.400   17.922   82.300   17.922   27.053   2.8483   26.068   2.9643 0.9853554 4.110962 
1 1 1    7   28   27 o   49.797   3.0354  298.522   35.522  290.600   50.305  306.400   50.167   48.607   4.4315   49.981   4.2923 -1.373817 6.169404 
1 1 1    7   28   28 o   50.643   3.0465  309.459   36.262  326.300   51.344  292.700   51.220   51.489   4.2612   48.630   4.5118 2.859318 6.206000 
1 1 1    7   28   29 o   62.311   3.5337  472.991   51.780  527.100   73.439  419.500   73.018   64.945   4.8231   57.469   5.4456 7.476135 7.274460 
1 1 1    7   28   30 o   55.039   3.2988  368.686   42.675  376.300   60.408  361.100   60.296   54.769   4.7169   53.577   4.8174 1.191673 6.742147 
1 1 1    7   28   31 f   42.210   2.6782  215.390   26.556  209.600   37.523  221.200   37.588   41.099   3.9136   42.285   3.8053 -1.185356 5.458579 
1 1 1    7   28   32 f   43.863   2.7358  233.156   28.195  222.200   39.795  244.200   39.954   42.181   4.0448   44.344   3.8539 -2.162849 5.586861 
1 1 1    7   28   33 o   36.771   2.4124  163.264   20.831  155.700   29.390  170.900   29.529   35.449   3.5590   37.229   3.3963 -1.780251 4.919534 
1 1 1    7   28   34 o   74.536   4.4398  701.579   77.790  720.100  109.924  683.000  110.098   72.972   6.4456   70.750   6.6688 2.222679 9.274607 
1 1 1    7   28   35 o   47.099   2.9440  270.968   32.578  279.200   46.021  262.700   46.123   47.025   4.1883   45.494   4.3464 1.531815 6.035946 
1 1 1    7   28   36 o   10.240   1.8189   12.899   4.2370   21.000   5.9045   4.3000   6.0834   13.100   1.9698   7.0019   2.6622 6.097926 3.311665 
1 1 1    7   28   37 o   24.447   1.9706   72.218   11.279   75.000   15.901   69.400   16.003   24.645   2.7810   23.640   2.9295 1.004871 4.039257 
1 1 1    7   28   38 o   24.376   1.9637   71.946   11.207   71.500   15.782   72.400   15.919   23.981   2.8422   24.130   2.8487 -0.1496429 4.024084 
1 1 1    7   28   39 o   11.618   1.6797   16.502   4.4741   19.700   6.3758   13.400   6.2800   12.572   2.2293   10.269   2.5902 2.303381 3.417403 
1 1 1    7   28   40 o   9.0496   1.7145   10.158   3.5297   9.9000   5.0764   10.400   4.9111   8.8472   2.3785   9.0635   2.2929 -0.2163715 3.303781 
1 1 1    7   28   41 o   42.954   2.6834  229.383   27.081  273.500   38.350  185.500   38.248   46.068   3.5528   37.022   4.4652 9.046238 5.706153 
1 1 1    7   28   42 o   37.617   2.2734  173.848   20.099  142.400   27.915  207.700   28.962   33.046   3.6375   40.513   3.0498 -7.467506 4.746843 
1 1 1    7   28   43 o   5.2487   1.7255   3.2050   2.4747   3.3000   2.9939   3.0000   4.3972   5.4663   1.8976   5.8735   2.2561 -0.4071074 2.948022 
1 1 1    7   28   44 f   10.142   1.9534   12.966   4.5086   15.800   5.9688   9.2000   6.8801   11.094   2.3514   8.6258   2.8791 2.468215 3.717328 
1 1 1    7   28   45 o   25.520   2.1391   81.564   12.771   89.000   17.985   74.000   18.139   25.991   2.9845   23.340   3.3903 2.650530 4.516786 
1 1 1    7   28   46 o   20.574   2.9962   57.400   14.129   57.400   14.129   0.0000   0.0000   20.574   2.9962  ?   ?  0.000000 2.996235 
1 1 1    7   28   47 o   10.074   2.7121   14.100   6.5949   14.100   6.5949   0.0000   0.0000   10.074   2.7121  ?   ?  0.000000 2.712099 
1 1 1    7   28   48 o   15.522   2.8626   33.900   10.106   33.900   10.106   0.0000   0.0000   15.522   2.8626  ?   ?  0.000000 2.862597 
1 1 1    7   28   49 o   2.7044   1.2969  -3.2000   2.3836  -3.2000   2.3836   0.0000   0.0000   2.7044   1.2969  ?   ?  0.000000 1.296888 
1 1 1    7   28   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   29    0 o  207.230   16.840  5440.20  811.556  5440.20  811.556  5440.20  811.556  207.230   16.840  207.230   16.840 -0.000000 0.000000 
1 1 1    7   29    1 o   95.957   5.3107  1102.30  119.866  1156.40  169.516  1048.20  169.516   97.669   7.4052   92.825   7.8061 4.843330 10.75972 
1 1 1    7   29    2 o  110.196   5.4776  1450.61  142.535  1163.60  200.409  1744.40  202.761   97.442   8.8049  120.139   7.1801 -22.69753 11.36136 
1 1 1    7   29    3 o   71.076   4.0284  602.200   67.333  602.100   95.279  602.300   95.168   70.720   5.7554   70.734   5.7474 -0.1366425E-01 8.133694 
1 1 1    7   29    4 o   21.598   1.9387   55.603   9.7823   53.300   13.842   57.900   13.826   21.020   2.8633   21.944   2.7270 -0.9242668 3.954102 
1 1 1    7   29    5 o   92.802   5.1255  1031.11  111.886  980.600  158.089  1081.80  158.372   89.776   7.5267   94.455   7.1536 -4.679222 10.38389 
1 1 1    7   29    6 o   28.398   2.0892   95.913   13.911  102.700   19.728   89.200   19.619   29.299   2.8891   27.255   3.1038 2.044111 4.240327 
1 1 1    7   29    7 o   84.710   4.7184  858.456   94.009  829.400  132.735  887.700  133.164   82.660   6.8623   85.607   6.6394 -2.946777 9.548447 
1 1 1    7   29    8 o   56.707   3.2808  382.889   43.744  368.700   61.626  397.300   62.104   55.384   4.7584   57.537   4.6097 -2.152882 6.625079 
1 1 1    7   29    9 o   10.943   1.7735   14.523   4.4260   13.400   5.8728   16.000   6.7338   10.430   2.4297   11.398   2.5640 -0.9680376 3.532347 
1 1 1    7   29   10 o   46.531   2.8278  257.666   30.924  282.000   43.765  233.400   43.703   48.531   3.8506   44.050   4.2544 4.480938 5.738219 
1 1 1    7   29   11 o   74.962   4.2907  672.547   75.635  761.500  106.877  583.300  107.053   79.370   5.7412   69.129   6.6398 10.24167 8.777692 
1 1 1    7   29   12 o   83.227   4.6356  830.926   90.742  761.500  128.305  900.400  128.350   78.883   6.9595   86.063   6.3608 -7.179810 9.428338 
1 1 1    7   29   13 o   38.872   2.5160  179.871   22.971  207.600   32.473  152.100   32.498   41.654   3.3293   35.504   3.9429 6.150429 5.160491 
1 1 1    7   29   14 o  116.303   6.2984  1645.20  172.331  1822.60  243.951  1468.50  243.474  120.934   8.5987  107.746   9.6726 13.18875 12.94200 
1 1 1    7   29   15 o   53.041   3.0960  335.662   38.609  371.800   54.668  299.700   54.534   55.600   4.1948   49.763   4.6964 5.836346 6.296989 
1 1 1    7   29   16 o   66.903   3.7855  536.210   59.559  573.300   84.331  499.300   84.126   68.743   5.2344   63.994   5.6242 4.749523 7.683173 
1 1 1    7   29   17 o   48.829   2.9692  284.623   34.073  297.600   48.144  271.600   48.230   49.683   4.1414   47.394   4.3584 2.288967 6.012219 
1 1 1    7   29   18 o   25.854   2.0236   79.690   12.256   79.400   17.045   80.000   17.634   25.684   2.8590   25.766   2.9516 -0.8224869E-01 4.109183 
1 1 1    7   29   19 o   58.547   3.3235  410.226   45.758  453.600   64.843  367.200   64.582   61.235   4.5163   54.895   5.0384 6.339432 6.766241 
1 1 1    7   29   20 f   2.3689   1.0708  -0.7204   1.2791  -0.3000   2.0237  -1.0000   1.6506   3.2795   1.4197   2.6651   1.2094 0.6143565 1.864991 
1 1 1    7   29   21 o   17.495   1.7104   36.593   6.9754   43.400   10.023   30.200   9.7134   18.986   2.2814   15.712   2.7163 3.273492 3.547303 
1 1 1    7   29   22 o   51.775   3.0739  321.008   37.412  337.700   52.976  304.400   52.842   52.765   4.2889   50.003   4.5243 2.761745 6.234077 
1 1 1    7   29   23 o   62.439   3.6067  469.311   52.952  501.300   74.931  437.400   74.839   63.986   4.9989   59.576   5.3778 4.409863 7.342325 
1 1 1    7   29   24 o   44.810   2.7159  240.302   28.602  269.300   40.518  211.500   40.381   47.195   3.6644   41.644   4.1621 5.551250 5.545381 
1 1 1    7   29   25 o   38.341   2.4118  175.818   21.725  202.800   30.799  149.100   30.648   40.997   3.2070   34.961   3.7722 6.036613 4.951174 
1 1 1    7   29   26 o   11.355   1.7068   15.637   4.4349   24.600   6.4291   7.5000   6.1256   14.255   1.9619   8.1434   2.7166 6.111770 3.350982 
1 1 1    7   29   27 o   19.943   1.8391   47.669   8.5633   44.400   12.146   50.900   12.075   19.054   2.7814   20.478   2.5526 -1.423412 3.775178 
1 1 1    7   29   28 o   38.706   2.5131  180.193   22.845  174.900   32.287  185.500   32.330   37.743   3.6690   38.924   3.5567 -1.180244 5.109966 
1 1 1    7   29   29 o   20.324   1.8525   49.589   8.7929   45.100   12.489   54.000   12.382   19.154   2.8481   21.071   2.5397 -1.916866 3.815938 
1 1 1    7   29   30 o   22.815   1.8899   62.482   10.090   67.300   14.296   57.700   14.243   23.514   2.6192   21.689   2.8499 1.824760 3.870683 
1 1 1    7   29   31 o   4.0807   1.5033   1.5586   1.9079   5.5000   2.9734  -1.2000   2.4876   6.6860   1.8300   3.3536   1.5066 3.332397 2.370389 
1 1 1    7   29   32 o   38.267   2.4513  176.837   22.034  161.200   31.098  192.600   31.223   36.014   3.7099   39.558   3.3748 -3.544643 5.015267 
1 1 1    7   29   33 o   26.925   2.0374   87.249   12.858   86.400   18.170   88.100   18.198   26.521   2.9514   26.793   2.9238 -0.2721004 4.154439 
1 1 1    7   29   34 o   17.887   1.7688   38.549   7.3731   38.500   10.372   38.600   10.483   17.686   2.5578   17.703   2.5838 -0.1655388E-01 3.635747 
1 1 1    7   29   35 o   23.168   1.8691   64.608   10.138   57.300   14.250   72.100   14.428   21.524   2.8754   24.291   2.5536 -2.766073 3.845655 
1 1 1    7   29   36 o   29.319   2.1131  103.950   14.531   97.900   20.466  110.100   20.635   28.050   3.1439   29.844   2.9675 -1.793787 4.323192 
1 1 1    7   29   37 o   30.521   2.1986  113.103   15.740  118.000   22.252  108.200   22.266   30.767   3.1052   29.369   3.2660 1.398304 4.506558 
1 1 1    7   29   38 o   24.637   1.9667   73.590   11.346   68.700   16.030   78.500   16.062   23.416   2.9654   25.149   2.7496 -1.732147 4.044003 
1 1 1    7   29   39 o   33.413   2.3130  136.734   18.138  146.400   25.672  127.100   25.629   34.011   3.2356   31.491   3.5060 2.519608 4.770837 
1 1 1    7   29   40 o   30.683   2.1304  115.035   15.340  130.300   21.777  100.000   21.612   32.220   2.8930   27.921   3.3445 4.299526 4.422112 
1 1 1    7   29   41 o   15.883   1.7644   30.783   6.5058   27.400   8.8813   34.700   9.5571   14.678   2.6604   16.618   2.5140 -1.940093 3.660309 
1 1 1    7   29   42 o   17.253   1.7997   36.384   7.2242   34.300   9.9573   38.700   10.497   16.426   2.6579   17.483   2.6236 -1.056810 3.734632 
1 1 1    7   29   43 f   4.7416   1.9247   1.2342   3.3655   1.6000   4.8709   0.9000   4.6555   5.6075   2.3003   5.3013   2.2184 0.3061342 3.195747 
1 1 1    7   29   44 o   40.652   2.8331  213.039   27.026  242.800   38.163  183.100   38.277   41.887   3.9033   35.216   4.7218 6.670818 6.126266 
1 1 1    7   29   45 o   22.587   2.0469   64.237   10.798   65.100   14.967   63.300   15.595   22.037   2.9501   21.547   3.1590 0.4902477 4.322328 
1 1 1    7   29   46 o   18.387   2.9056   46.400   12.197   46.400   12.197   0.0000   0.0000   18.387   2.9056  ?   ?  0.000000 2.905625 
1 1 1    7   29   47 o   7.9156   2.6106   8.4000   5.6628   8.4000   5.6628   0.0000   0.0000   7.9156   2.6106  ?   ?  0.000000 2.610595 
1 1 1    7   29   48 o  ?   ?  -10.8000   1.2779 -10.8000   1.2779   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   29   49 o   12.726   2.9239   23.600   8.6017   23.600   8.6017   0.0000   0.0000   12.726   2.9239  ?   ?  0.000000 2.923869 
1 1 1    7   30    0 o   81.934   6.7032  816.700  127.693  816.700  127.693  816.700  127.693   81.934   6.7032   81.934   6.7032 -0.000000 0.000000 
1 1 1    7   30    1 o  114.558   5.8957  1579.32  158.946  1242.60  224.047  1920.50  225.528   99.994   9.6069  125.573   7.6421 -25.57907 12.27574 
1 1 1    7   30    2 f  108.511   6.0090  1418.70  153.370  1386.70  217.068  1450.60  216.728  106.101   8.7418  108.645   8.5160 -2.544601 12.20408 
1 1 1    7   30    3 o   19.002   1.8661   43.112   8.2650   45.900   11.883   40.500   11.503   19.506   2.6483   18.286   2.7491 1.220644 3.817202 
1 1 1    7   30    4 f   62.886   3.6523  471.600   54.002  498.500   76.299  444.600   76.441   64.373   5.0602   60.694   5.3896 3.679276 7.392811 
1 1 1    7   30    5 o   70.921   4.0331  600.740   67.264  596.700   95.009  604.800   95.243   70.262   5.7776   70.748   5.7509 -0.4855881 8.151887 
1 1 1    7   30    6 o  131.868   6.7430  2108.10  209.265  2482.20  297.231  1740.40  294.676  141.760   8.9248  117.438   10.745 24.32218 13.96826 
1 1 1    7   30    7 o  125.170   6.5775  1899.21  193.730  2159.20  274.901  1642.70  273.058  132.115   8.8631  114.297   10.225 17.81732 13.53174 
1 1 1    7   30    8 o  112.384   6.2077  1528.91  164.100  1554.80  232.470  1503.20  231.678  111.924   8.8685  109.961   9.0013 1.963028 12.63626 
1 1 1    7   30    9 o   69.840   3.4509  580.019   56.912  737.500   81.369  429.200   79.630   78.456   4.4100   59.444   5.7445 19.01154 7.242022 
1 1 1    7   30   10 o   56.275   3.3083  377.763   43.769  354.900   61.916  400.600   61.880   54.208   4.8896   57.694   4.5798 -3.485970 6.699478 
1 1 1    7   30   11 o   24.889   1.9381   73.764   11.301   79.500   16.032   68.100   15.932   25.750   2.6757   23.777   2.8975 1.973650 3.943934 
1 1 1    7   30   12 o   86.929   4.8538  909.802   99.236  920.700  140.325  898.900  140.356   86.597   6.9201   85.517   7.0122 1.080246 9.851881 
1 1 1    7   30   13 o   35.086   2.3440  146.600   19.309  146.300   27.313  146.900   27.300   34.894   3.3562   34.968   3.3471 -0.7352066E-01 4.739940 
1 1 1    7   30   14 o   72.504   4.1095  630.991   70.068  621.900   99.041  640.100   99.142   71.352   5.9320   72.429   5.8466 -1.077110 8.328944 
1 1 1    7   30   15 o   9.0579   1.8663   10.072   3.8590   6.9000   5.5703   13.000   5.3511   7.8236   2.5896   10.272   2.2669 -2.448141 3.441650 
1 1 1    7   30   16 o   53.879   3.1757  346.955   40.226  322.700   56.835  371.300   56.940   51.575   4.7191   55.448   4.3846 -3.873013 6.441677 
1 1 1    7   30   17 o  112.732   6.2961  1560.10  166.932  1581.40  236.077  1538.80  236.077  111.269   9.0637  109.624   9.2050 1.645378 12.91835 
1 1 1    7   30   18 o   89.939   4.9103  980.226  103.889  1130.10  147.031  830.800  146.811   95.655   6.5488   81.233   7.7475 14.42186 10.14444 
1 1 1    7   30   19 o   71.451   3.8330  613.658   64.434  728.300   91.361  500.200   90.889   77.378   5.0274   63.598   6.1279 13.77938 7.926280 
1 1 1    7   30   20 o   58.434   3.3887  409.528   46.558  382.900   65.755  436.300   65.932   55.972   5.0287   59.899   4.6991 -3.927090 6.882528 
1 1 1    7   30   21 o  100.796   5.6682  1248.88  134.364  1223.20  189.961  1274.60  190.079   97.570   8.3245   99.787   8.1376 -2.216927 11.64122 
1 1 1    7   30   22 o   64.620   3.7279  503.428   56.644  523.300   80.151  483.600   80.061   65.239   5.2472   62.592   5.4717 2.646702 7.581135 
1 1 1    7   30   23 o   47.255   2.8926  267.749   32.122  270.900   45.436  264.600   45.419   47.168   4.1207   46.595   4.1721 0.5730896 5.864022 
1 1 1    7   30   24 o   31.745   2.2177  120.501   16.520  117.600   23.366  123.400   23.359   31.142   3.2242   31.930   3.1387 -0.7880230 4.499594 
1 1 1    7   30   25 o   36.401   2.4271  158.810   20.743  156.700   29.404  160.900   29.266   35.867   3.5170   36.369   3.4490 -0.5026436 4.925913 
1 1 1    7   30   26 o   21.044   1.8493   53.050   9.0961   50.300   12.864   55.800   12.864   20.306   2.7539   21.442   2.5934 -1.136103 3.782771 
1 1 1    7   30   27 o   63.803   3.7574  497.956   56.360  482.800   79.721  513.100   79.688   61.589   5.5409   63.657   5.3510 -2.067150 7.702910 
1 1 1    7   30   28 o   34.689   2.3755  144.741   19.341  138.200   27.438  151.200   27.267   33.526   3.5183   35.155   3.3241 -1.628712 4.840265 
1 1 1    7   30   29 o   4.8288   1.7001   2.4328   2.4074   0.8000   3.3871   4.1000   3.4225   4.6511   1.9143   6.0484   2.0306 -1.397324 2.790644 
1 1 1    7   30   30 o   28.815   2.1097   99.844   14.255  108.200   20.167   91.500   20.152   29.768   2.9060   27.258   3.1912 2.510054 4.316146 
1 1 1    7   30   31 o   24.750   1.9657   73.638   11.394   70.000   16.087   77.300   16.140   23.874   2.9140   25.150   2.7633 -1.276733 4.015894 
1 1 1    7   30   32 o   41.273   2.6543  206.552   25.732  211.900   36.384  201.200   36.397   41.263   3.7759   40.139   3.8888 1.124611 5.420364 
1 1 1    7   30   33 o   9.0880   1.7412   10.176   3.6006   9.6000   4.9919   10.800   5.1983   8.7828   2.3576   9.2980   2.3627 -0.5151806 3.337756 
1 1 1    7   30   34 o   67.578   4.0515  573.722   64.354  591.200   90.951  556.200   91.068   66.495   5.8520   64.195   6.0801 2.299927 8.438813 
1 1 1    7   30   35 o   16.837   1.7352   34.243   6.8002   30.300   9.5487   38.300   9.6866   15.579   2.6930   17.651   2.3850 -2.072061 3.597303 
1 1 1    7   30   36 o   33.987   2.3508  140.566   18.751  156.200   26.504  124.900   26.531   35.397   3.2057   31.379   3.6486 4.017405 4.856858 
1 1 1    7   30   37 o   21.752   1.8827   57.299   9.5750   56.800   13.527   57.800   13.556   21.363   2.7449   21.561   2.7232 -0.1985798 3.866560 
1 1 1    7   30   38 o   48.483   3.0628  294.091   34.884  319.700   49.343  268.500   49.325   49.270   4.2837   44.607   4.7561 4.662621 6.400832 
1 1 1    7   30   39 o   40.827   2.6777  206.787   25.672  202.600   36.252  211.000   36.360   39.318   3.9585   40.209   3.8776 -0.8911285 5.541215 
1 1 1    7   30   40 o   32.914   2.2915  133.068   17.699  146.500   25.060  119.700   25.000   33.966   3.1607   30.405   3.5488 3.561031 4.752244 
1 1 1    7   30   41 o   16.626   1.8410   33.840   7.1067   34.700   9.8324   32.900   10.283   16.560   2.6000   16.026   2.8205 0.5348377 3.836013 
1 1 1    7   30   42 o   5.2630   1.9135   2.8189   3.0768   1.5000   3.9710   4.8000   4.8670   5.1558   2.0915   6.6879   2.4105 -1.532085 3.191322 
1 1 1    7   30   43 o   21.307   1.9738   56.162   9.8180   55.800   14.120   56.500   13.661   20.662   2.9800   20.880   2.8448 -0.2176380 4.119872 
1 1 1    7   30   44 o   9.7487   1.9955   12.188   4.4389   4.3000   6.0037   21.700   6.5928   6.7546   2.6247   12.986   2.2303 -6.231868 3.444309 
1 1 1    7   30   45 o   11.718   2.8498   19.000   7.8098   19.000   7.8098   0.0000   0.0000   11.718   2.8498  ?   ?  0.000000 2.849831 
1 1 1    7   30   46 o   5.4183   2.1871   2.2000   4.3194   2.2000   4.3194   0.0000   0.0000   5.4183   2.1871  ?   ?  0.000000 2.187092 
1 1 1    7   30   47 o   11.809   2.7533   19.700   7.5358   19.700   7.5358   0.0000   0.0000   11.809   2.7533  ?   ?  0.000000 2.753262 
1 1 1    7   30   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   31    0 o   70.357   5.8674  602.200   95.919  602.200   95.919  602.200   95.919   70.357   5.8674   70.357   5.8674 0.000000 0.000000 
1 1 1    7   31    1 o   24.848   2.0676   73.581   12.021   66.200   17.218   80.600   16.791   23.396   3.2006   25.922   2.7870 -2.525591 4.243944 
1 1 1    7   31    2 o   63.477   3.5843  480.800   53.506  393.800   75.497  568.600   75.843   56.948   5.6904   68.799   4.6965 -11.85159 7.378187 
1 1 1    7   31    3 f  112.747   6.1919  1539.18  164.220  1667.50  232.484  1411.40  232.000  116.089   8.5408  106.281   9.3390 9.807419 12.65552 
1 1 1    7   31    4 o   45.898   2.7267  250.706   29.420  307.800   41.826  194.800   41.389   50.752   3.5116   40.146   4.4403 10.60655 5.661058 
1 1 1    7   31    5 o  107.296   5.0132  1380.23  127.017  1786.40  181.030  986.400  178.259  121.362   6.3389   89.054   8.5832 32.30824 10.67017 
1 1 1    7   31    6 o   63.241   3.5680  477.488   53.066  557.000   75.218  398.700   74.875   68.053   4.7097   57.286   5.6070 10.76669 7.322553 
1 1 1    7   31    7 f   29.196   2.1446  101.485   14.682   87.300   20.716  115.800   20.811   26.893   3.3336   31.104   2.8657 -4.210979 4.396083 
1 1 1    7   31    8 o   38.651   2.5138  177.883   22.818  173.400   32.208  182.400   32.332   37.983   3.6355   38.980   3.5515 -0.9973373 5.082327 
1 1 1    7   31    9 o   89.071   4.9999  956.304  104.738  947.300  148.568  965.200  147.678   87.678   7.2407   88.567   7.1214 -0.8895264 10.15588 
1 1 1    7   31   10 o   56.422   3.4045  380.496   45.147  323.400   63.958  437.200   63.738   51.529   5.3336   60.229   4.5145 -8.700310 6.987668 
1 1 1    7   31   11 o   75.013   3.9851  674.448   70.337  769.100   99.872  581.300   99.075   79.657   5.3404   68.903   6.1540 10.75442 8.148118 
1 1 1    7   31   12 o  108.684   6.0059  1439.24  153.538  1369.10  217.042  1509.50  217.229  104.085   8.9168  109.680   8.4526 -5.595360 12.28634 
1 1 1    7   31   13 o   48.821   2.9500  284.490   33.849  298.300   47.887  270.700   47.853   49.748   4.1134   47.321   4.3304 2.426468 5.972611 
1 1 1    7   31   14 o   72.912   4.1425  639.103   71.028  636.300  100.499  641.900  100.398   72.072   5.9586   72.405   5.9239 -0.3338776 8.402293 
1 1 1    7   31   15 o   33.960   2.2012  137.345   17.557  158.500   24.921  116.500   24.737   36.381   2.9256   31.061   3.4299 5.320110 4.508196 
1 1 1    7   31   16 o   16.487   1.7629   32.552   6.7569   33.000   9.5342   32.100   9.5772   16.480   2.5309   16.240   2.5841 0.2404804 3.617007 
1 1 1    7   31   17 o  100.459   5.3373  1229.37  126.157  1431.80  178.735  1028.40  178.093  107.194   7.1014   89.756   8.5042 17.43774 11.07934 
1 1 1    7   31   18 o   54.920   3.2513  361.355   41.977  359.000   59.425  363.700   59.304   54.324   4.6782   54.695   4.6352 -0.3714256 6.585634 
1 1 1    7   31   19 o   44.526   2.7562  236.996   28.836  239.800   40.811  234.200   40.751   44.512   3.9228   43.973   3.9673 0.5390129 5.579224 
1 1 1    7   31   20 o   42.717   2.6841  218.201   26.937  221.100   38.089  215.300   38.101   42.730   3.8150   42.146   3.8717 0.5844574 5.435471 
1 1 1    7   31   21 o   50.902   3.0345  310.725   36.308  284.700   51.274  336.900   51.422   48.247   4.5544   52.658   4.1695 -4.411266 6.174770 
1 1 1    7   31   22 o   37.534   2.4550  168.545   21.639  170.400   30.644  166.700   30.560   37.490   3.5021   37.069   3.5341 0.4215050 4.975368 
1 1 1    7   31   23 f   2.0564   0.9590  -1.0974   1.1421  -1.5000   1.9910  -0.9000   1.3942   2.8332   1.3017   2.4277   1.1054 0.4054945 1.707723 
1 1 1    7   31   24 o   59.115   3.4526  423.246   47.986  450.100   67.930  396.500   67.794   60.267   4.8135   56.351   5.1518 3.916149 7.050572 
1 1 1    7   31   25 o   50.008   3.0357  302.135   35.678  284.000   50.437  320.300   50.477   47.824   4.5198   50.960   4.2330 -3.135983 6.192511 
1 1 1    7   31   26 o   33.480   2.3239  134.635   18.258  127.900   25.889  141.300   25.753   32.298   3.4477   34.034   3.2438 -1.735798 4.733800 
1 1 1    7   31   27 o   16.528   1.6795   32.812   6.4636   40.300   9.2609   25.700   9.0255   18.237   2.1946   14.386   2.7573 3.851380 3.524027 
1 1 1    7   31   28 f   35.640   2.3979  153.012   20.063  145.200   28.396  160.800   28.350   34.308   3.5567   36.204   3.3543 -1.895947 4.888942 
1 1 1    7   31   29 o   14.041   1.7238   23.825   5.5956   19.200   7.9351   28.400   7.8917   12.376   2.7828   15.237   2.2621 -2.860875 3.586218 
1 1 1    7   31   30 o   39.163   2.5579  185.459   23.525  178.900   33.293  192.000   33.246   37.946   3.7652   39.397   3.6139 -1.451214 5.218937 
1 1 1    7   31   31 f   29.422   2.1375  104.232   14.749  106.800   20.933  101.700   20.785   29.494   3.0497   28.752   3.1111 0.7419987 4.356503 
1 1 1    7   31   32 o   49.344   2.9963  297.261   34.747  256.600   49.086  338.100   49.194   44.762   4.7149   51.953   4.0417 -7.191750 6.210146 
1 1 1    7   31   33 o   63.170   3.7222  496.603   55.277  440.100   78.107  553.300   78.241   57.362   5.8482   65.236   5.1202 -7.874313 7.772845 
1 1 1    7   31   34 o   12.088   1.6572   17.763   4.6057   24.700   6.5803   11.100   6.4487   14.209   2.0178   9.4419   2.7347 4.767400 3.398601 
1 1 1    7   31   35 o   14.273   1.6675   24.681   5.5142   31.700   7.8374   17.800   7.7597   16.090   2.1140   11.834   2.8173 4.255234 3.522222 
1 1 1    7   31   36 o   44.017   2.8053  238.824   29.006  231.900   40.945  245.800   41.098   42.340   4.1486   43.706   4.0275 -1.366219 5.781998 
1 1 1    7   31   37 o   3.1280   1.3125   0.1743   1.6367  -1.1000   2.1580   1.9000   2.5112   3.0972   1.3962   4.5823   1.7175 -1.485141 2.213413 
1 1 1    7   31   38 o   16.080   1.7799   31.503   6.6452   36.700   9.3509   26.200   9.4453   17.182   2.3676   14.290   2.8982 2.891363 3.742345 
1 1 1    7   31   39 o   26.471   2.1211   85.723   13.148   99.300   18.511   71.900   18.677   28.139   2.8239   23.561   3.4602 4.578890 4.466217 
1 1 1    7   31   40 o   9.0023   2.0442   10.231   4.2462   14.800   5.5904   4.0000   6.5282   10.810   2.2627   6.9767   2.7298 3.833238 3.545601 
1 1 1    7   31   41 o   5.2901   1.8795   2.9746   2.9490   4.9000   3.8107   0.1000   4.6563   6.4572   2.1421   5.0907   2.1779 1.366491 3.054842 
1 1 1    7   31   42 o   8.2341   2.1016   8.6596   4.1001   5.0000   5.7671   12.400   5.8303   6.9870   2.6059   9.7704   2.5129 -2.783440 3.620085 
1 1 1    7   31   43 o   19.614   1.9408   47.946   8.8712   46.400   12.529   49.500   12.562   18.693   2.9352   19.392   2.8265 -0.6991177 4.074875 
1 1 1    7   31   44 o   7.9068   2.0727   8.1590   3.9170   4.1000   5.8295   11.500   5.2888   6.5895   2.5792   9.2893   2.3955 -2.699787 3.520066 
1 1 1    7   31   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   31   46 o   16.090   2.8768   36.300   10.529   36.300   10.529   0.0000   0.0000   16.090   2.8768  ?   ?  0.000000 2.876756 
1 1 1    7   31   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   32    0 o   30.911   3.2912  117.000   23.338  117.000   23.338  117.000   23.338   30.911   3.2912   30.911   3.2912 0.000000 0.000000 
1 1 1    7   32    1 o  108.938   5.9255  1439.07  151.857  1560.00  215.411  1319.60  214.109  112.118   8.1931  102.609   8.9255 9.508713 12.11577 
1 1 1    7   32    2 o   42.230   2.6647  212.432   26.437  198.700   37.363  226.200   37.411   40.619   3.9452   43.414   3.6841 -2.795113 5.397848 
1 1 1    7   32    3 o   77.997   4.4126  730.373   80.937  724.500  114.200  736.300  114.727   77.011   6.3361   77.649   6.3116 -0.6381683 8.943303 
1 1 1    7   32    4 o   35.632   2.4033  151.201   20.103  150.600   28.450  151.800   28.409   35.400   3.4471   35.546   3.4271 -0.1460571 4.860829 
1 1 1    7   32    5 o  147.294   8.1812  2695.31  283.433  2408.80  400.560  2982.60  401.109  134.573   12.758  151.656   11.281 -17.08318 17.03002 
1 1 1    7   32    6 o   81.501   4.5990  799.197   88.148  831.300  124.666  767.100  124.653   82.392   6.4594   78.999   6.7469 3.392723 9.340492 
1 1 1    7   32    7 o   39.821   2.5828  188.967   24.156  187.600   34.375  190.300   33.951   39.479   3.7316   39.780   3.6552 -0.3004150 5.223514 
1 1 1    7   32    8 o  106.566   5.8621  1380.89  146.948  1235.00  207.528  1527.60  208.105   98.848   8.9891  110.736   8.0126 -11.88772 12.04187 
1 1 1    7   32    9 o   76.310   4.4402  700.735   79.665  610.300  112.873  790.500  112.454   70.261   6.8919   80.475   5.9601 -10.21352 9.111585 
1 1 1    7   32   10 o   46.927   2.7266  262.481   30.084  216.500   42.243  309.800   42.853   42.291   4.2894   50.828   3.5936 -8.536983 5.595827 
1 1 1    7   32   11 o   37.008   2.2469  162.998   19.543  196.500   27.894  130.700   27.388   40.542   2.9335   32.902   3.5831 7.640240 4.630740 
1 1 1    7   32   12 o   17.703   1.8540   37.518   7.6352   35.900   11.043   39.000   10.568   17.155   2.8244   17.943   2.5674 -0.7877102 3.816897 
1 1 1    7   32   13 o   72.437   4.1120  631.212   70.047  547.100   99.039  715.400   99.083   66.550   6.3804   76.580   5.5162 -10.03019 8.434357 
1 1 1    7   32   14 o   73.711   4.1022  653.915   71.120  749.600  100.676  558.600  100.482   78.371   5.4746   67.184   6.4115 11.18625 8.430783 
1 1 1    7   32   15 o   80.680   4.5438  786.966   86.213  846.400  121.959  727.600  121.889   82.815   6.2833   76.455   6.8231 6.359840 9.275514 
1 1 1    7   32   16 o   99.739   5.4817  1215.16  128.609  1341.00  182.053  1089.80  181.709  103.306   7.5145   92.371   8.4232 10.93446 11.28796 
1 1 1    7   32   17 o   46.261   2.7977  255.820   30.418  214.700   42.976  297.100   43.059   41.970   4.4019   49.648   3.6994 -7.678059 5.749947 
1 1 1    7   32   18 o   64.424   3.6622  499.527   55.483  449.300   78.369  550.000   78.561   60.340   5.5628   67.076   4.9958 -6.736069 7.476792 
1 1 1    7   32   19 o   74.281   4.2429  668.601   74.114  667.500  104.850  669.700  104.776   73.223   6.1201   73.354   6.1043 -0.1311646 8.643938 
1 1 1    7   32   20 o   37.637   2.4596  169.400   21.739  169.500   30.754  169.300   30.735   37.400   3.5238   37.378   3.5238 0.2222443E-01 4.983365 
1 1 1    7   32   21 o   44.593   2.7725  238.549   29.050  239.300   41.112  237.800   41.055   44.301   3.9723   44.158   3.9800 0.1429482 5.623115 
1 1 1    7   32   22 o   39.231   2.5437  184.557   23.437  166.300   33.152  202.800   33.138   36.855   3.8670   40.871   3.4663 -4.015507 5.193148 
1 1 1    7   32   23 o   47.595   2.9164  272.935   32.619  279.500   46.184  266.400   46.077   47.688   4.1424   46.505   4.2426 1.182838 5.929515 
1 1 1    7   32   24 o   13.786   1.7497   22.947   5.5678   20.600   7.9565   25.200   7.7942   12.872   2.7037   14.335   2.3865 -1.462999 3.606351 
1 1 1    7   32   25 o   10.093   1.7363   12.451   3.9888   12.600   5.6218   12.300   5.6605   10.063   2.3996   9.9417   2.4314 0.1213961 3.416074 
1 1 1    7   32   26 o   34.054   2.3047  139.419   18.424  154.000   26.084  124.900   26.028   35.535   3.1408   31.842   3.5206 3.693695 4.717998 
1 1 1    7   32   27 o   84.172   4.9452  896.001   97.860  874.400  138.398  917.600  138.393   79.951   7.4150   82.226   7.2001 -2.275444 10.33558 
1 1 1    7   32   28 f   64.641   3.8051  515.851   57.826  543.400   81.850  488.400   81.706   64.966   5.3840   61.256   5.7145 3.709705 7.851320 
1 1 1    7   32   29 o   20.272   1.8364   49.406   8.6951   45.900   12.307   52.900   12.286   19.308   2.7795   20.815   2.5532 -1.507492 3.774186 
1 1 1    7   32   30 o   35.245   2.3276  149.807   19.263  131.600   27.173  168.200   27.311   32.551   3.5953   37.042   3.1523 -4.491257 4.781547 
1 1 1    7   32   31 o   54.223   3.2912  360.953   41.941  342.800   59.318  379.100   59.308   51.640   4.9242   54.561   4.6476 -2.920689 6.771087 
1 1 1    7   32   32 o   65.162   3.8469  530.075   58.930  487.100   83.267  573.200   83.413   60.282   5.9261   66.088   5.3920 -5.805447 8.012004 
1 1 1    7   32   33 o   40.918   2.6597  204.259   25.559  181.600   36.153  226.900   36.139   37.732   4.1248   42.559   3.6308 -4.826897 5.495131 
1 1 1    7   32   34 o   19.463   1.8823   45.857   8.5425   29.800   12.122   61.700   12.041   15.196   3.4560   22.478   2.3009 -7.281461 4.151906 
1 1 1    7   32   35 o   35.514   2.4070  153.911   20.066  148.800   28.272  159.100   28.485   34.280   3.5438   35.525   3.4387 -1.244751 4.937889 
1 1 1    7   32   36 o   50.173   3.1549  315.285   37.187  300.600   52.564  330.000   52.617   47.300   4.7714   49.880   4.5162 -2.580738 6.569770 
1 1 1    7   32   37 o   24.212   1.9749   71.340   11.193   70.700   15.713   72.000   15.947   23.723   2.8628   23.935   2.8794 -0.2115879 4.060318 
1 1 1    7   32   38 o   13.700   1.7604   22.958   5.5633   22.200   7.9102   23.700   7.8257   13.207   2.6288   13.695   2.5125 -0.4876366 3.636387 
1 1 1    7   32   39 o   7.3682   2.0027   6.8104   3.5757  10.0000   5.4501   4.4000   4.7378   8.8772   2.4958   6.5233   2.3741 2.353889 3.444630 
1 1 1    7   32   40 o   12.289   1.9583   18.773   5.4920   19.400   7.6326   18.100   7.9084   12.257   2.7092   11.789   2.8683 0.4682341 3.945467 
1 1 1    7   32   41 o   12.542   1.9272   19.611   5.5250   17.800   7.6371   21.600   8.0029   11.641   2.8103   12.880   2.7169 -1.238859 3.908840 
1 1 1    7   32   42 o   6.8005   2.1334   5.7537   3.8134   7.2000   4.9783   3.7000   5.9323   7.5825   2.4444   6.5859   2.5944 0.9965954 3.564571 
1 1 1    7   32   43 f   21.009   2.0045   55.603   9.8238   49.200   13.843   62.100   13.943   18.868   3.2228   21.604   2.7991 -2.736004 4.268590 
1 1 1    7   32   44 o   11.767   2.8018   19.200   7.6734   0.0000   0.0000   19.200   7.6734  ?   ?    11.767   2.8018 0.000000 2.801799 
1 1 1    7   32   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   32   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   32   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   33    0 o  161.162   13.368  3338.30  500.676  3338.30  500.676  3338.30  500.676  161.162   13.368  161.162   13.368 0.000000 0.000000 
1 1 1    7   33    1 o   35.641   2.3827  151.317   19.938  166.700   28.321  136.200   28.074   37.282   3.2494   33.608   3.5932 3.674149 4.844558 
1 1 1    7   33    2 o   90.745   5.0486  994.771  107.756  880.000  152.205  1110.10  152.574   84.045   7.7568   94.996   6.8476 -10.95060 10.34682 
1 1 1    7   33    3 o   53.449   2.9298  340.611   36.837  258.600   51.636  425.600   52.566   46.139   4.8101   59.590   3.7549 -13.45063 6.102169 
1 1 1    7   33    4 o  137.402   7.6140  2339.70  246.075  2562.00  348.477  2118.60  347.529  140.800   10.558  126.699   11.750 14.10156 15.79643 
1 1 1    7   33    5 f   60.108   3.5355  432.405   49.961  479.800   70.615  384.900   70.696   62.986   4.7835   56.188   5.3946 6.798084 7.209928 
1 1 1    7   33    6 o   80.724   4.2527  783.052   80.779  967.000  114.663  601.800  113.820   89.238   5.4678   69.670   7.0138 19.56807 8.893291 
1 1 1    7   33    7 o  102.004   5.5458  1264.14  133.078  1158.90  187.615  1370.70  188.793   95.949   8.3643  104.902   7.6747 -8.952904 11.35178 
1 1 1    7   33    8 o   47.629   2.8765  270.750   32.200  282.100   45.741  259.600   45.337   48.373   4.0414   46.355   4.1871 2.018379 5.819313 
1 1 1    7   33    9 o   40.403   2.4793  194.517   23.539  222.000   33.433  167.500   33.148   43.025   3.3163   37.233   3.8246 5.792728 5.062166 
1 1 1    7   33   10 o  107.197   4.9796  1387.79  126.048  1737.40  179.962  1051.10  176.604  118.902   6.4335   91.200   8.2912 27.70223 10.49445 
1 1 1    7   33   11 f   41.661   2.4033  206.729   23.543  251.100   33.653  164.200   32.947   45.798   3.1305   36.841   3.8438 8.956886 4.957332 
1 1 1    7   33   12 o   23.146   1.9020   63.904   10.303   70.000   14.689   58.000   14.457   24.128   2.6202   21.893   2.8651 2.234613 3.882583 
1 1 1    7   33   13 o  112.999   6.4788  1576.69  172.153  1440.00  243.813  1712.60  243.110  104.916   9.9607  115.504   8.9841 -10.58749 13.41381 
1 1 1    7   33   14 o   27.075   2.0091   87.397   12.753   94.400   18.172   80.600   17.902   28.025   2.7828   25.837   2.9896 2.188694 4.084276 
1 1 1    7   33   15 o   58.316   3.4278  408.257   46.995  406.900   66.638  409.600   66.285   57.713   4.9373   57.923   4.8919 -0.2101402 6.950346 
1 1 1    7   33   16 o   49.057   3.1574  288.698   36.381  250.800   51.833  325.500   51.078   45.185   4.9383   51.795   4.2127 -6.609360 6.491045 
1 1 1    7   33   17 o   34.199   2.1472  139.441   17.252  104.600   24.258  175.100   24.540   29.319   3.5780   38.233   2.7363 -8.913465 4.504365 
1 1 1    7   33   18 o   19.234   1.8127   44.267   8.1359   50.000   11.489   38.500   11.523   20.352   2.4392   17.742   2.8468 2.609659 3.748844 
1 1 1    7   33   19 o   71.675   4.1302  624.509   69.609  630.500   98.365  618.500   98.519   70.961   5.9244   70.229   5.9983 0.7323914 8.430779 
1 1 1    7   33   20 o   63.880   3.7112  494.728   55.740  514.900   78.871  474.600   78.785   64.358   5.2352   61.632   5.4703 2.725853 7.571755 
1 1 1    7   33   21 o   29.072   2.1298  101.166   14.519   97.500   20.578  104.800   20.488   28.313   3.1302   29.401   2.9927 -1.088097 4.330627 
1 1 1    7   33   22 o   31.303   2.2101  117.451   16.231  119.700   22.951  115.200   22.959   31.367   3.1407   30.747   3.2095 0.6209278 4.490549 
1 1 1    7   33   23 o   56.465   3.3465  387.248   44.422  402.100   62.933  372.500   62.712   56.762   4.7385   54.503   4.9259 2.259518 6.835088 
1 1 1    7   33   24 o   56.280   3.3643  385.598   44.506  388.500   62.965  382.700   62.916   55.612   4.8431   55.168   4.8800 0.4442329 6.875330 
1 1 1    7   33   25 o   20.641   1.8529   51.158   8.9350   50.000   12.681   52.300   12.592   20.209   2.7269   20.700   2.6359 -0.4905682 3.792596 
1 1 1    7   33   26 o   51.254   3.1265  319.807   37.659  331.000   53.241  308.600   53.274   51.382   4.4314   49.483   4.6124 1.899204 6.396224 
1 1 1    7   33   27 o   54.724   3.3143  366.114   42.627  375.500   60.238  356.700   60.328   54.479   4.7295   52.978   4.8771 1.500233 6.793732 
1 1 1    7   33   28 o   18.337   1.7693   40.439   7.5660   44.400   10.934   36.800   10.480   19.061   2.4888   17.283   2.6527 1.777636 3.637400 
1 1 1    7   33   29 o   42.924   2.7261  223.494   27.488  225.900   38.926  221.100   38.823   42.564   3.9169   42.086   3.9528 0.4782448 5.564762 
1 1 1    7   33   30 o   56.903   3.4079  398.319   45.581  372.600   64.423  424.100   64.500   53.680   5.1454   57.626   4.7833 -3.945862 7.025331 
1 1 1    7   33   31 o   55.219   3.3219  375.849   43.113  354.300   60.899  397.500   61.044   52.250   4.9968   55.657   4.6884 -3.407650 6.851945 
1 1 1    7   33   32 o   18.015   1.7732   39.173   7.4454   35.300   10.494   43.100   10.565   16.837   2.7330   18.729   2.4475 -1.891693 3.668735 
1 1 1    7   33   33 o   45.195   2.9026  251.464   30.813  223.200   43.625  279.600   43.527   41.375   4.5397   46.852   3.9717 -5.477253 6.031855 
1 1 1    7   33   34 o   24.299   2.0050   71.574   11.402   57.900   16.169   85.100   16.081   21.354   3.3140   26.278   2.6267 -4.924252 4.228708 
1 1 1    7   33   35 o   46.260   2.9059  265.705   31.582  249.100   44.604  282.400   44.724   43.438   4.4096   46.588   4.1075 -3.149494 6.026271 
1 1 1    7   33   36 o   9.5160   1.7491   11.219   3.7856   9.9000   5.2935   12.600   5.4159   8.8549   2.4492   9.9719   2.3402 -1.117022 3.387511 
1 1 1    7   33   37 o   9.5272   1.8854   11.324   4.0915   14.400   6.1625   8.9000   5.4714   10.629   2.4975   8.4482   2.5381 2.181234 3.560872 
1 1 1    7   33   38 o   19.870   1.9400   48.255   8.9865   44.100   12.962   52.100   12.470   18.528   3.0702   20.365   2.6562 -1.837366 4.059787 
1 1 1    7   33   39 o   36.257   2.4361  162.839   20.736  145.000   29.038  181.400   29.620   33.147   3.7773   37.486   3.3827 -4.338703 5.070634 
1 1 1    7   33   40 o   7.5187   2.2012   7.1169   4.1578   12.800   5.4790  -0.6000   6.3845   9.9747   2.3625   5.7356   2.5020 4.239114 3.441151 
1 1 1    7   33   41 o   8.4445   1.9031   9.0870   3.7041   6.8000   4.6626   13.000   6.0987   7.3864   2.3640   9.9404   2.5769 -2.553953 3.496942 
1 1 1    7   33   42 o   15.500   1.9102   30.187   6.8434   31.100   9.7508   29.300   9.6069   15.233   2.8144   14.746   2.8622 0.4872522 4.014106 
1 1 1    7   33   43 o   19.117   1.9461   46.298   8.6628   46.000   12.210   46.600   12.292   18.325   2.9198   18.446   2.9192 -0.1212578 4.128791 
1 1 1    7   33   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   33   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   33   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   34    0 o   4.5160   2.5431   3.2000   4.1273   3.2000   4.1273   3.2000   4.1273   4.5160   2.5431   4.5160   2.5431 0.000000 0.000000 
1 1 1    7   34    1 o   82.771   4.6675  826.887   90.856  889.100  128.659  765.000  128.322   85.011   6.4574   78.549   6.9914 6.461861 9.517244 
1 1 1    7   34    2 o   30.486   2.2382  110.805   16.000   91.300   22.659  130.200   22.595   27.428   3.5843   32.955   2.9342 -5.526918 4.632139 
1 1 1    7   34    3 f   16.947   1.8358   34.407   7.2291   24.900   10.282   43.700   10.166   14.185   3.1515   19.056   2.3060 -4.871038 3.905066 
1 1 1    7   34    4 o   90.156   5.0620  984.643  107.328  1030.60  151.878  938.800  151.692   91.137   7.1136   86.741   7.4789 4.395981 10.32174 
1 1 1    7   34    5 o   44.279   2.6362  233.760   27.439  183.100   38.584  285.600   39.030   38.835   4.2784   48.810   3.4077 -9.975208 5.469647 
1 1 1    7   34    6 o   19.052   1.9195   43.433   8.5178   39.800   12.017   47.100   12.075   18.065   2.9164   19.734   2.6588 -1.668692 3.946523 
1 1 1    7   34    7 o   63.540   3.6971  484.432   55.231  451.900   78.148  516.900   78.070   60.770   5.5056   65.176   5.1137 -4.405838 7.514085 
1 1 1    7   34    8 o   65.268   3.6979  511.203   56.759  538.500   80.639  484.400   79.905   66.489   5.1769   62.944   5.4291 3.544888 7.501637 
1 1 1    7   34    9 o  113.211   6.0065  1571.16  159.996  1279.10  225.582  1866.80  226.963   99.171   9.7593  121.793   7.9350 -22.62223 12.57809 
1 1 1    7   34   10 f  114.641   6.2365  1617.27  168.191  1747.10  238.584  1489.00  237.138  116.974   8.6998  107.216   9.4636 9.757240 12.85483 
1 1 1    7   34   11 o   44.483   2.4506  235.814   25.642  297.800   36.829  177.500   35.722   49.865   3.1438   38.248   4.0150 11.61708 5.099401 
1 1 1    7   34   12 o  114.469   5.2805  1595.19  142.733  2021.70  203.612  1183.10  200.142  127.465   6.7892   95.595   8.9712 31.87090 11.25061 
1 1 1    7   34   13 o   35.257   2.3623  148.368   19.554  157.900   27.700  138.900   27.606   36.202   3.2758   33.885   3.5006 2.316338 4.794260 
1 1 1    7   34   14 o  123.899   6.9316  1923.53  201.983  1999.90  286.435  1848.00  284.865  122.651   9.9764  117.337   10.389 5.314072 14.40309 
1 1 1    7   34   15 o   53.359   2.9559  340.994   37.099  396.300   52.934  287.600   52.010   57.231   3.9409   48.491   4.5971 8.739773 6.055075 
1 1 1    7   34   16 o   55.914   3.2934  376.086   43.291  388.400   61.383  363.900   61.064   56.313   4.6579   54.436   4.7996 1.876568 6.688233 
1 1 1    7   34   17 o   41.479   2.4973  205.822   24.346  232.500   34.715  180.000   34.153   43.866   3.3774   38.439   3.8131 5.427708 5.093724 
1 1 1    7   34   18 o   34.311   2.2103  140.714   17.813  166.000   25.441  116.400   24.948   37.117   2.9265   30.899   3.4797 6.217394 4.546721 
1 1 1    7   34   19 o   43.540   2.7320  227.753   27.947  232.100   39.740  223.500   39.308   43.570   3.9040   42.736   3.9395 0.8342056 5.546289 
1 1 1    7   34   20 o   34.443   2.3176  142.225   18.740  151.100   26.540  133.400   26.465   35.263   3.2229   33.049   3.4417 2.213829 4.715135 
1 1 1    7   34   21 o   18.955   1.8631   43.149   8.2314   32.400   11.724   53.600   11.560   16.118   3.1932   21.049   2.3668 -4.931419 3.974681 
1 1 1    7   34   22 o   65.015   3.5409  515.147   54.156  618.500   76.776  412.800   76.402   70.488   4.6385   56.716   5.7857 13.77138 7.415545 
1 1 1    7   34   23 o   41.466   2.6550  207.445   25.860  209.800   36.608  205.100   36.536   41.247   3.8013   40.761   3.8412 0.4861412 5.404127 
1 1 1    7   34   24 f   18.093   1.8101   39.370   7.6299   40.400   10.689   38.300   10.894   18.169   2.5626   17.648   2.7001 0.5212727 3.722595 
1 1 1    7   34   25 o   72.082   4.2770  646.972   72.475  594.000  102.565  699.800  102.425   66.751   6.5931   73.219   5.9762 -6.467796 8.898510 
1 1 1    7   34   26 o   49.376   2.9763  296.259   34.540  255.800   48.762  337.000   48.932   44.950   4.6617   52.087   4.0091 -7.137020 6.148549 
1 1 1    7   34   27 o   22.699   1.8567   61.869   9.8650   51.500   13.865   72.500   14.039   20.419   2.9619   24.437   2.4667 -4.017832 3.854535 
1 1 1    7   34   28 o   35.058   2.3636  148.333   19.453  152.400   27.570  144.300   27.451   35.155   3.3622   34.162   3.4502 0.9928780 4.817489 
1 1 1    7   34   29 o   57.872   3.4559  412.534   47.012  436.000   66.579  389.200   66.390   58.330   4.8785   54.812   5.1912 3.517666 7.123835 
1 1 1    7   34   30 o   20.679   1.8711   51.551   9.0379   51.500   12.875   51.600   12.690   20.435   2.7370   20.469   2.6907 -0.3414345E-01 3.838037 
1 1 1    7   34   31 o   25.958   2.0291   81.379   12.339   72.300   17.429   90.500   17.470   24.083   3.1395   27.133   2.7653 -3.050215 4.183687 
1 1 1    7   34   32 o   23.021   1.9253   64.061   10.370   61.100   14.693   67.000   14.638   22.167   2.8747   23.289   2.7126 -1.121817 3.952482 
1 1 1    7   34   33 o   31.106   2.2408  117.677   16.350   96.900   23.137  138.400   23.106   27.555   3.6454   33.397   2.9606 -5.842714 4.696228 
1 1 1    7   34   34 o   20.798   1.8706   52.472   9.0883   42.600   12.835   62.400   12.871   18.300   3.0794   22.487   2.4643 -4.186165 3.944047 
1 1 1    7   34   35 o   7.9669   1.8431   7.9458   3.3984   8.7000   4.6741   7.1000   4.9498   8.3206   2.3015   7.6602   2.4340 0.6604009 3.349813 
1 1 1    7   34   36 o   15.297   1.7832   28.541   6.3202   29.900   9.1498   27.300   8.7406   15.398   2.6096   14.697   2.6143 0.7010021 3.693916 
1 1 1    7   34   37 o   11.904   2.5724   18.100   7.0202   0.0000   0.0000   18.100   7.0202  ?   ?    11.904   2.5724 0.000000 2.572430 
1 1 1    7   34   38 o   35.116   2.4238  152.613   19.975  159.500   28.767  146.200   27.759   35.033   3.5252   33.497   3.5642 1.536354 5.013035 
1 1 1    7   34   39 o   32.263   2.3504  129.511   17.783  156.600   25.144  102.400   25.155   34.869   3.0856   27.392   4.0074 7.476984 5.057716 
1 1 1    7   34   40 f   16.510   1.9280   33.903   7.3750   30.400   10.767   37.000   10.123   15.030   3.1352   16.918   2.6185 -1.887856 4.084823 
1 1 1    7   34   41 o   40.076   2.7374  209.588   25.750  238.600   36.583  181.100   36.251   40.990   3.8237   34.539   4.5560 6.450939 5.947925 
1 1 1    7   34   42 o   16.128   2.7391   35.100   10.059   0.0000   0.0000   35.100   10.059  ?   ?    16.128   2.7391 0.000000 2.739096 
1 1 1    7   34   43 o   16.228   2.9400   36.700   10.851   0.0000   0.0000   36.700   10.851  ?   ?    16.228   2.9400 0.000000 2.939995 
1 1 1    7   34   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   34   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   35    0 o   8.6218   3.2563   11.900   6.2119   11.900   6.2119   11.900   6.2119   8.6218   3.2563   8.6218   3.2563 0.000000 0.000000 
1 1 1    7   35    1 o   82.948   4.4762  830.427   87.351  678.000  122.986  985.600  124.089   73.671   7.1601   89.692   5.8917 -16.02055 9.272457 
1 1 1    7   35    2 o   37.975   2.5048  172.044   22.335  148.200   31.549  196.000   31.624   34.966   3.8867   40.390   3.3459 -5.423374 5.128508 
1 1 1    7   35    3 o   62.032   3.6092  461.627   52.639  423.600   74.323  499.900   74.563   58.831   5.4107   64.120   4.9632 -5.288692 7.342264 
1 1 1    7   35    4 o   11.030   2.0064   14.866   5.0332   12.000   7.7048   17.000   6.6476   9.9980   3.0138   11.745   2.4749 -1.747396 3.899757 
1 1 1    7   35    5 f   36.954   2.3848  162.820   20.699  200.600   29.444  125.900   29.106   40.914   3.0700   32.183   3.9104 8.730915 4.971514 
1 1 1    7   35    6 f   49.123   2.9986  288.589   34.616  293.400   49.013  283.800   48.896   49.218   4.2592   48.381   4.3256 0.8365059 6.070512 
1 1 1    7   35    7 f  113.154   5.5337  1560.83  147.858  1903.80  210.308  1225.60  207.919  123.413   7.2484   97.336   9.1536 26.07697 11.67595 
1 1 1    7   35    8 o   38.422   2.5367  176.280   22.886  147.600   32.410  204.800   32.320   34.833   4.0137   41.265   3.3456 -6.432320 5.225240 
1 1 1    7   35    9 o   26.679   2.0142   84.895   12.596   95.700   18.316   75.200   17.349   28.213   2.7857   24.935   3.0071 3.277622 4.099128 
1 1 1    7   35   10 o   84.695   4.7092  871.340   93.810  661.300  132.602  1081.80  132.734   71.897   7.9431   93.577   6.0391 -21.68016 9.978210 
1 1 1    7   35   11 o   66.176   3.7339  527.319   58.110  564.300   82.439  490.800   81.922   67.864   5.1836   63.094   5.5553 4.769863 7.598081 
1 1 1    7   35   12 o   31.494   2.2345  118.434   16.509  109.400   23.393  127.400   23.303   30.046   3.3543   32.514   3.0716 -2.467602 4.548220 
1 1 1    7   35   13 o   13.018   1.8489   20.498   5.5237   14.300   8.0551   26.000   7.5891   10.790   3.0345   14.619   2.2723 -3.828834 3.790929 
1 1 1    7   35   14 o   26.165   2.0600   81.833   12.625   82.200   18.293   81.500   17.446   26.041   3.0315   25.958   2.8955 0.8300591E-01 4.192151 
1 1 1    7   35   15 o   10.064   1.8915   12.416   4.3302   0.8000   6.2408   23.200   6.0132   6.1404   2.5689   13.853   1.8873 -7.712844 3.187669 
1 1 1    7   35   16 o   42.379   2.4604  214.954   24.516  266.300   35.055  165.800   34.299   46.984   3.1783   36.768   4.0157 10.21594 5.121325 
1 1 1    7   35   17 o   40.985   2.5470  201.459   24.528  225.600   34.864  177.800   34.514   43.109   3.4539   38.094   3.8915 5.015213 5.203189 
1 1 1    7   35   18 o   34.365   2.4886  141.900   20.058  106.200   28.508  176.900   28.227   29.185   4.2623   38.199   3.1576 -9.014301 5.304458 
1 1 1    7   35   19 o   50.508   3.1512  308.784   37.396  284.700   53.091  332.500   52.684   47.739   4.7737   51.860   4.3421 -4.120941 6.453037 
1 1 1    7   35   20 o   36.141   2.4777  157.087   21.018  142.900   29.870  171.000   29.580   34.049   3.7788   37.428   3.3834 -3.379368 5.072185 
1 1 1    7   35   21 o   17.055   1.8226   35.007   7.2266   37.000   10.334   33.100   10.110   17.378   2.5981   16.392   2.7063 0.9855423 3.751540 
1 1 1    7   35   22 o   44.281   2.6118  236.400   27.189  266.100   38.854  207.900   38.061   46.589   3.5587   40.954   3.9862 5.635147 5.343610 
1 1 1    7   35   23 o   27.049   2.1325   87.978   13.510   77.800   19.279   97.800   18.939   25.091   3.3365   28.328   2.8709 -3.236559 4.401607 
1 1 1    7   35   24 o   54.734   3.2870  365.679   42.286  337.100   59.780  394.300   59.823   51.471   4.9807   56.013   4.5626 -4.541809 6.754565 
1 1 1    7   35   25 o   60.165   3.5031  444.164   49.554  386.500   69.998  502.100   70.162   54.629   5.5010   63.007   4.7507 -8.378078 7.268450 
1 1 1    7   35   26 o   45.099   2.8116  246.775   29.793  231.900   42.098  261.700   42.170   43.012   4.1984   45.872   3.9310 -2.860363 5.751470 
1 1 1    7   35   27 o   60.207   3.6043  447.056   51.007  440.900   72.167  453.200   72.103   58.386   5.2919   59.284   5.2031 -0.8981895 7.421316 
1 1 1    7   35   28 o   27.808   2.0882   93.165   13.612   89.300   19.289   97.000   19.212   26.904   3.0924   28.110   2.9378 -1.205770 4.265390 
1 1 1    7   35   29 o   22.726   1.8777   62.210   9.9866   56.400   14.076   68.100   14.171   21.350   2.8641   23.585   2.5871 -2.234272 3.859553 
1 1 1    7   35   30 o   21.842   1.9215   57.620   9.8093   60.300   13.822   54.900   13.923   22.113   2.7034   21.025   2.8801 1.087288 3.950121 
1 1 1    7   35   31 o   13.544   1.8447   22.383   5.7464   5.3000   8.1835   39.000   8.0708   7.9283   3.0690   17.921   1.9381 -9.992411 3.629718 
1 1 1    7   35   32 o   7.3715   2.0863   6.7340   3.7951  -0.7000   6.1525   11.300   4.8217   5.6795   2.4670   9.4837   2.1963 -3.804164 3.303040 
1 1 1    7   35   33 o   34.536   2.4644  146.283   19.966  131.300   28.413  160.900   28.063   31.874   3.8532   35.667   3.3720 -3.792858 5.120332 
1 1 1    7   35   34 o   45.812   4.4128  278.500   47.146   0.0000   0.0000  278.500   47.146  ?   ?    45.812   4.4128 0.000000 4.412776 
1 1 1    7   35   35 f   18.280   1.8088   40.627   7.7053   41.900   10.997   39.400   10.800   18.288   2.6214   17.708   2.6653 0.5799522 3.738410 
1 1 1    7   35   36 o   22.704   2.0685   63.099   10.968   54.300   15.893   71.100   15.155   20.439   3.4133   23.804   2.7466 -3.364504 4.381124 
1 1 1    7   35   37 o   19.348   1.8796   45.748   8.4791   45.100   11.969   46.400   12.014   18.849   2.7719   19.139   2.7360 -0.2907181 3.894813 
1 1 1    7   35   38 o   6.0153   2.0873   4.0582   3.6226  -6.3000   4.7899   17.900   5.5371   3.8686   1.8508   11.948   2.0356 -8.079268 2.751148 
1 1 1    7   35   39 o   29.514   2.3039  109.356   15.930  113.000   22.358  105.600   22.702   29.120   3.3103   27.944   3.5185 1.176300 4.830979 
1 1 1    7   35   40 o   11.267   3.0231   17.400   8.2104   0.0000   0.0000   17.400   8.2104  ?   ?    11.267   3.0231 0.000000 3.023150 
1 1 1    7   35   41 o   10.756   2.9394   16.100   7.6783   0.0000   0.0000   16.100   7.6783  ?   ?    10.756   2.9394 0.000000 2.939389 
1 1 1    7   35   42 o   9.2431   2.7502   11.800   6.4471   0.0000   0.0000   11.800   6.4471  ?   ?    9.2431   2.7502 0.000000 2.750237 
1 1 1    7   35   43 o   7.5244   2.3758   7.5000   4.7216   0.0000   0.0000   7.5000   4.7216  ?   ?    7.5244   2.3758 0.000000 2.375839 
1 1 1    7   35   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   36    0 o   23.581   2.9655   69.000   15.804   69.000   15.804   69.000   15.804   23.581   2.9655   23.581   2.9655 0.000000 0.000000 
1 1 1    7   36    1 o   67.455   3.9079  548.097   61.981  549.300   87.749  546.900   87.561   66.835   5.6119   66.688   5.6125 0.1473312 7.936903 
1 1 1    7   36    2 o   78.627   4.4865  748.615   82.953  767.100  117.424  730.200  117.204   78.609   6.3810   76.588   6.5434 2.020706 9.139675 
1 1 1    7   36    3 o   56.433   3.3354  382.011   44.250  324.700   62.531  439.500   62.628   51.416   5.2228   60.194   4.4374 -8.777687 6.853295 
1 1 1    7   36    4 o   8.4261   2.3830   8.6552   4.9533   8.4000   7.0791   8.9000   6.9331   8.6794   2.9203   8.8183   2.8877 -0.1388874 4.106933 
1 1 1    7   36    5 o   4.1362   1.7054   0.5704   2.6942   5.8000   3.9008  -4.2000   3.7256   6.9955   2.1517   3.5896   1.6923 3.405955 2.737462 
1 1 1    7   36    6 f   19.165   1.8485   43.942   8.2619   41.600   11.792   46.200   11.579   18.485   2.7881   19.541   2.5718 -1.055475 3.793134 
1 1 1    7   36    7 o   34.506   2.2881  142.085   18.538  154.600   26.738  130.500   25.726   35.828   3.1939   32.857   3.3632 2.971123 4.638094 
1 1 1    7   36    8 o   97.052   5.1300  1152.02  117.149  1312.30  166.342  994.300  165.013  102.165   6.9362   87.965   8.0327 14.19933 10.61294 
1 1 1    7   36    9 o   12.641   1.9798   19.414   5.7155   14.700   8.8394   22.800   7.4923   10.981   3.2079   13.645   2.4135 -2.664820 4.014481 
1 1 1    7   36   10 o   73.395   4.1707  653.519   71.985  683.800  102.024  623.500  101.581   74.123   5.8772   70.585   6.1561 3.537262 8.511074 
1 1 1    7   36   11 o   40.688   2.1344  197.307   20.436  267.500   29.506  132.600   28.330   47.282   2.6535   32.987   3.7008 14.29459 4.553790 
1 1 1    7   36   12 o   29.753   2.0290  105.669   14.170  129.600   20.248   82.700   19.837   32.852   2.6323   26.049   3.2989 6.802778 4.220341 
1 1 1    7   36   13 o   37.288   2.4819  166.561   21.729  165.800   30.959  167.300   30.504   36.913   3.5975   37.103   3.5239 -0.1901245 5.035827 
1 1 1    7   36   14 o   62.301   3.5861  470.129   52.535  494.600   74.558  446.000   74.036   63.145   5.0423   59.796   5.2982 3.349644 7.314090 
1 1 1    7   36   15 o   72.202   4.1116  637.250   69.810  672.600   99.078  602.400   98.377   72.980   5.7970   68.792   6.1200 4.187630 8.429672 
1 1 1    7   36   16 o   56.150   3.2124  381.279   42.417  430.200   60.280  333.300   59.697   59.086   4.3511   51.646   4.9558 7.439281 6.594831 
1 1 1    7   36   17 o   68.067   3.8900  566.422   62.265  604.900   88.377  528.500   87.737   69.232   5.4500   64.390   5.8338 4.842560 7.983415 
1 1 1    7   36   18 o   38.269   2.1966  175.359   19.767  224.700   28.578  130.100   27.370   43.150   2.8202   32.530   3.6247 10.61932 4.592604 
1 1 1    7   36   19 f   13.793   1.7540   22.986   5.5838   25.700   8.2579   20.700   7.5791   14.444   2.5123   12.918   2.5750 1.526107 3.597531 
1 1 1    7   36   20 o   25.558   2.0375   78.421   12.195   65.100   17.292   91.600   17.200   22.956   3.2836   27.478   2.6851 -4.522799 4.241692 
1 1 1    7   36   21 o   24.892   1.9785   74.376   11.534   77.900   16.616   71.100   16.023   25.268   2.8336   24.117   2.8699 1.151791 4.033070 
1 1 1    7   36   22 o   60.510   3.6071  449.150   51.306  449.300   72.675  449.000   72.440   59.310   5.2431   59.304   5.2263 0.5657196E-02 7.403048 
1 1 1    7   36   23 o   52.592   3.1766  337.037   39.265  344.100   55.778  330.100   55.282   52.297   4.5625   51.172   4.6249 1.124428 6.496655 
1 1 1    7   36   24 o   4.2444   1.6633   1.2596   2.4266  -0.6000   5.5455   1.7000   2.6987   5.4418   2.3530   4.6086   1.7681 0.8331704 2.943261 
1 1 1    7   36   25 o   32.922   2.3187  130.705   17.910  123.600   25.428  137.700   25.231   31.607   3.4637   33.474   3.2322 -1.867310 4.737542 
1 1 1    7   36   26 o   17.020   1.8242   34.948   7.2170   32.100   10.296   37.700   10.119   16.067   2.8164   17.524   2.5177 -1.456886 3.777666 
1 1 1    7   36   27 o   33.236   2.2082  133.233   17.232  150.000   24.891  117.800   23.880   34.952   3.0463   30.826   3.3337 4.126293 4.515944 
1 1 1    7   36   28 o   61.858   4.0284  482.050   58.522  406.000   83.348  556.000   82.189   53.915   6.6904   64.855   5.4163 -10.93950 8.608000 
1 1 1    7   36   29 o   46.462   2.9815  265.606   32.538  222.600   46.073  308.400   45.959   41.203   4.8268   49.322   3.9800 -8.118797 6.256055 
1 1 1    7   36   30 o   29.635   2.2560  106.709   15.669   83.200   22.258  129.800   22.060   25.476   3.8176   32.409   2.9137 -6.933588 4.802497 
1 1 1    7   36   31 o   13.603   1.8156   22.593   5.6862   21.800   8.2852   23.300   7.8182   13.102   2.7648   13.625   2.5229 -0.5229750 3.742836 
1 1 1    7   36   32 o   52.362   4.9787  370.900   60.818   0.0000   0.0000  370.900   60.818  ?   ?    52.362   4.9787 0.000000 4.978722 
1 1 1    7   36   33 o   34.240   3.4982  149.700   27.887   0.0000   0.0000  149.700   27.887  ?   ?    34.240   3.4982 0.000000 3.498195 
1 1 1    7   36   34 o   26.462   3.0314   88.300   18.601   0.0000   0.0000   88.300   18.601  ?   ?    26.462   3.0314 0.000000 3.031403 
1 1 1    7   36   35 o   6.0115   2.1828   3.7000   4.0017   0.0000   0.0000   3.7000   4.0017  ?   ?    6.0115   2.1828 0.000000 2.182793 
1 1 1    7   36   36 o   9.2112   1.9307   10.656   4.0650   14.100   5.8312   7.4000   5.6699   10.510   2.4021   7.8658   2.6131 2.643765 3.549426 
1 1 1    7   36   37 o   20.062   1.9007   49.423   8.8967   46.400   12.631   52.400   12.534   18.957   2.9149   20.292   2.6813 -1.335329 3.960591 
1 1 1    7   36   38 o   14.476   2.8221   27.600   9.3000   0.0000   0.0000   27.600   9.3000  ?   ?    14.476   2.8221 0.000000 2.822087 
1 1 1    7   36   39 o   9.6489   2.6200   12.400   6.1233   0.0000   0.0000   12.400   6.1233  ?   ?    9.6489   2.6200 0.000000 2.619978 
1 1 1    7   36   40 o   9.9738   2.7504   13.600   6.6874   0.0000   0.0000   13.600   6.6874  ?   ?    9.9738   2.7504 0.000000 2.750437 
1 1 1    7   36   41 o   21.382   3.1788   64.300   15.562   0.0000   0.0000   64.300   15.562  ?   ?    21.382   3.1788 0.000000 3.178844 
1 1 1    7   36   42 o   9.2905   2.8679   12.100   6.9226   0.0000   0.0000   12.100   6.9226  ?   ?    9.2905   2.8679 0.000000 2.867934 
1 1 1    7   36   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   37    0 o  103.378   8.5918  1347.40  206.402  1347.40  206.402  1347.40  206.402  103.378   8.5918  103.378   8.5918 -0.000000 0.000000 
1 1 1    7   37    1 o   34.152   2.3500  139.357   18.836  143.400   26.784  135.400   26.496   34.443   3.3348   33.444   3.4025 0.9995766 4.764238 
1 1 1    7   37    2 o   52.784   3.2026  334.647   39.730  335.500   56.299  333.800   56.075   52.386   4.5976   52.255   4.5909 0.1313362 6.497315 
1 1 1    7   37    3 o   62.556   3.6899  472.111   54.264  446.500   76.833  497.600   76.650   60.066   5.4772   63.599   5.1480 -3.533272 7.516765 
1 1 1    7   37    4 o   26.231   2.0185   82.171   12.406  109.400   17.792   56.400   17.309   30.206   2.5173   21.400   3.5496 8.805096 4.351628 
1 1 1    7   37    5 f   13.633   1.8420   22.445   5.7782   29.000   8.2390   16.100   8.1059   15.444   2.3318   11.398   2.9786 4.045910 3.782716 
1 1 1    7   37    6 o   34.150   2.3476  139.431   18.816  121.700   26.633  157.100   26.587   31.609   3.6344   36.087   3.1516 -4.478209 4.810532 
1 1 1    7   37    7 o   79.361   4.0699  763.877   76.012  925.100  108.205  606.800  106.804   86.560   5.3195   69.205   6.6163 17.35546 8.489588 
1 1 1    7   37    8 o   36.799   2.4641  162.092   21.289  157.800   29.907  166.500   30.311   36.041   3.5607   37.045   3.5068 -1.004295 4.997563 
1 1 1    7   37    9 o   47.852   2.9790  275.271   33.495  271.800   47.872  278.600   46.882   47.076   4.3558   47.727   4.2028 -0.6500893 6.052771 
1 1 1    7   37   10 o   41.992   2.5297  211.187   24.967  246.200   35.574  177.200   35.049   45.116   3.3633   38.049   3.9588 7.066280 5.194656 
1 1 1    7   37   11 o   30.883   2.2949  114.274   16.616   99.200   23.719  128.800   23.285   28.446   3.6127   32.622   3.0584 -4.176023 4.733457 
1 1 1    7   37   12 o   30.859   2.1748  113.987   15.746  124.800   22.387  103.400   22.152   32.110   2.9868   29.126   3.2778 2.983980 4.434545 
1 1 1    7   37   13 o   39.536   2.5236  187.634   23.437  198.700   33.481  177.000   32.820   40.374   3.5478   38.036   3.7010 2.338436 5.126826 
1 1 1    7   37   14 o   26.666   1.9836   85.097   12.401   95.600   17.758   75.100   17.325   28.117   2.7081   24.814   3.0191 3.303463 4.055672 
1 1 1    7   37   15 o   15.506   1.8932   29.023   6.7877   28.700   9.9983   29.300   9.2446   15.213   2.8889   15.431   2.6315 -0.2179680 3.907715 
1 1 1    7   37   16 o   38.043   2.3631  173.706   21.123  209.100   30.199  139.800   29.558   41.519   3.1027   33.671   3.7830 7.847553 4.892570 
1 1 1    7   37   17 o   25.035   1.9659   75.146   11.529   85.400   16.604   65.600   16.020   26.533   2.6871   23.138   3.0028 3.395073 4.029539 
1 1 1    7   37   18 o   41.451   2.6798  207.351   26.090  190.700   36.953  223.900   36.840   39.202   4.0503   42.675   3.6922 -3.472992 5.480629 
1 1 1    7   37   19 o   68.603   4.1167  582.181   66.380  485.900   93.964  678.100   93.788   60.453   6.6947   72.793   5.4968 -12.33911 8.662227 
1 1 1    7   37   20 o   25.575   2.0108   78.533   12.045   85.200   17.477   72.500   16.625   26.434   2.8447   24.330   2.9543 2.103739 4.101210 
1 1 1    7   37   21 o   33.220   2.3587  132.939   18.382  112.800   26.087  152.800   25.906   30.123   3.7485   35.368   3.1344 -5.244493 4.886302 
1 1 1    7   37   22 o   34.018   2.2082  139.102   17.643  165.600   25.480  114.700   24.452   36.884   2.9502   30.474   3.4593 6.409433 4.546473 
1 1 1    7   37   23 o   47.620   3.0245  276.066   33.833  251.100   48.008  300.700   47.688   44.515   4.6351   49.067   4.1548 -4.551991 6.224647 
1 1 1    7   37   24 o   5.1595   1.7360   2.9664   2.5016   4.4000   4.4409   2.3000   3.0277   6.4975   2.3067   5.0513   1.8873 1.446184 2.980384 
1 1 1    7   37   25 o   34.328   2.3591  142.361   19.007  137.400   26.909  147.300   26.851   33.287   3.4747   34.540   3.3336 -1.253315 4.815190 
1 1 1    7   37   26 o   32.980   2.3737  131.743   18.362  127.700   26.457  135.500   25.506   31.972   3.5651   33.066   3.3111 -1.093452 4.865526 
1 1 1    7   37   27 o   39.242   2.4754  186.985   22.821  210.000   32.500  164.600   32.052   41.121   3.3769   36.129   3.8146 4.991570 5.094558 
1 1 1    7   37   28 o   15.742   1.8433   30.081   6.7226   21.400   9.6103   38.400   9.4074   12.934   3.1711   17.690   2.3069 -4.756848 3.921407 
1 1 1    7   37   29 o   15.133   2.1066   28.099   7.3237   9.5000   10.788   44.000   9.9747   9.6192   3.5687   18.948   2.2748 -9.329141 4.231995 
1 1 1    7   37   30 o   41.171   3.9760  218.300   38.173   0.0000   0.0000  218.300   38.173  ?   ?    41.171   3.9760 0.000000 3.976015 
1 1 1    7   37   31 o   46.684   4.4647  288.100   48.618   0.0000   0.0000  288.100   48.618  ?   ?    46.684   4.4647 0.000000 4.464726 
1 1 1    7   37   32 o   17.020   2.6150   36.300   10.174   0.0000   0.0000   36.300   10.174  ?   ?    17.020   2.6150 0.000000 2.615028 
1 1 1    7   37   33 o   2.5011   1.1953  -2.7000   1.9873   0.0000   0.0000  -2.7000   1.9873  ?   ?    2.5011   1.1953 0.000000 1.195325 
1 1 1    7   37   34 o   34.069   3.5273  149.700   27.966   0.0000   0.0000  149.700   27.966  ?   ?    34.069   3.5273 0.000000 3.527341 
1 1 1    7   37   35 o   5.5819   2.1183   2.8000   3.8472   0.0000   0.0000   2.8000   3.8472  ?   ?    5.5819   2.1183 0.000000 2.118322 
1 1 1    7   37   36 o   13.176   2.6970   22.500   8.1090   0.0000   0.0000   22.500   8.1090  ?   ?    13.176   2.6970 0.000000 2.697014 
1 1 1    7   37   37 o   25.846   3.2637   89.000   19.474   0.0000   0.0000   89.000   19.474  ?   ?    25.846   3.2637 0.000000 3.263675 
1 1 1    7   37   38 o   5.8916   2.3727   2.5000   5.0712   0.0000   0.0000   2.5000   5.0712  ?   ?    5.8916   2.3727 0.000000 2.372722 
1 1 1    7   37   39 o   6.8035   2.6210   4.7000   5.9464   0.0000   0.0000   4.7000   5.9464  ?   ?    6.8035   2.6210 0.000000 2.620982 
1 1 1    7   37   40 o   7.8190   2.7338   7.8000   6.2194   0.0000   0.0000   7.8000   6.2194  ?   ?    7.8190   2.7338 0.000000 2.733782 
1 1 1    7   37   41 o   12.056   2.7534   20.200   7.6669   0.0000   0.0000   20.200   7.6669  ?   ?    12.056   2.7534 0.000000 2.753444 
1 1 1    7   37   42 o   1.8109   0.9006  -3.7000   1.5054   0.0000   0.0000  -3.7000   1.5054  ?   ?    1.8109   0.9006 0.000000 0.9005900 
1 1 1    7   38    0 o   7.3997   3.4179   9.5000   6.5798   9.5000   6.5798   9.5000   6.5798   7.3997   3.4179   7.3997   3.4179 -0.000000 0.000000 
1 1 1    7   38    1 o   41.516   2.7167  206.785   26.486  226.800   37.287  186.400   37.630   43.207   3.6900   38.991   4.1509 4.215767 5.553919 
1 1 1    7   38    2 o   49.546   3.0428  295.266   35.428  314.600   50.081  275.900   50.123   50.728   4.2191   47.356   4.5379 3.371727 6.196230 
1 1 1    7   38    3 o   46.985   2.9201  265.289   32.238  274.700   45.618  255.900   45.564   47.414   4.1153   45.691   4.2727 1.722862 5.932216 
1 1 1    7   38    4 o   10.513   2.0422   13.584   4.8869   12.100   7.6647   14.600   6.3436   9.9986   3.0041   10.849   2.5238 -0.8500223 3.923568 
1 1 1    7   38    5 o   35.454   2.2750  150.323   18.946  173.700   27.016  127.700   26.577   37.942   3.0409   32.364   3.5350 5.577366 4.663032 
1 1 1    7   38    6 f   80.470   4.5474  794.600   86.055  824.600  122.320  765.200  121.089   80.432   6.4957   77.284   6.7015 3.147362 9.332965 
1 1 1    7   38    7 f   41.898   2.5364  210.434   24.976  238.700   35.790  183.600   34.871   44.361   3.4435   38.734   3.8641 5.627674 5.175832 
1 1 1    7   38    8 o   64.185   3.7207  500.711   56.151  521.100   79.684  480.600   79.137   64.572   5.2719   61.865   5.4737 2.707001 7.599591 
1 1 1    7   38    9 o   45.692   2.9037  251.531   31.167  245.000   44.535  257.800   43.632   44.575   4.2838   45.825   4.0747 -1.249409 5.912216 
1 1 1    7   38   10 o   38.174   2.5112  174.968   22.510  172.500   31.949  177.400   31.720   37.559   3.6483   38.122   3.5650 -0.5633011 5.100952 
1 1 1    7   38   11 o   6.5179   2.0535   4.9932   3.5289   6.4000   6.4798   4.4000   4.2076   7.8433   2.7861   6.4381   2.2487 1.405194 3.580390 
1 1 1    7   38   12 o   56.804   3.1446  390.210   42.015  458.100   59.863  324.300   58.984   61.023   4.1796   50.866   4.9744 10.15736 6.497192 
1 1 1    7   38   13 o   27.216   2.0406   88.755   13.019   98.600   18.551   79.200   18.275   28.520   2.7902   25.449   3.1055 3.071386 4.174852 
1 1 1    7   38   14 o   22.215   1.7970   59.089   9.3458   71.400   13.482   47.700   12.967   24.318   2.3783   19.715   2.8696 4.602657 3.727028 
1 1 1    7   38   15 o   18.068   1.9022   39.304   7.9940   38.000   11.828   40.400   10.846   17.527   2.9635   18.174   2.6016 -0.6466026 3.943425 
1 1 1    7   38   16 o   43.262   2.7192  225.962   27.637  235.500   39.375  216.700   38.801   43.693   3.8559   41.844   3.9746 1.848499 5.537643 
1 1 1    7   38   17 o   60.340   3.6220  445.946   51.369  431.600   72.763  460.200   72.532   58.137   5.3607   60.215   5.1506 -2.078434 7.434061 
1 1 1    7   38   18 o   30.756   2.1539  113.592   15.544  123.300   22.167  104.200   21.803   31.810   2.9859   29.145   3.2219 2.665483 4.392763 
1 1 1    7   38   19 o   47.133   2.9688  269.607   32.873  266.600   46.941  272.500   46.050   46.158   4.3582   46.753   4.2166 -0.5944901 6.064120 
1 1 1    7   38   20 o   40.157   2.4968  194.436   23.559  220.000   33.527  169.500   33.112   42.370   3.3791   36.952   3.8513 5.417564 5.123530 
1 1 1    7   38   21 o   44.529   2.7689  240.212   28.970  261.100   41.157  219.700   40.785   45.911   3.8313   41.905   4.1774 4.006454 5.668268 
1 1 1    7   38   22 o   12.661   1.8265   19.497   5.3027   23.400   8.4899   17.000   6.7900   13.698   2.7206   11.669   2.5365 2.029018 3.719576 
1 1 1    7   38   23 o   34.885   2.3471  146.872   19.222  152.200   27.524  141.800   26.856   35.124   3.3595   33.874   3.4035 1.249897 4.782296 
1 1 1    7   38   24 o   31.107   2.2949  116.985   16.739  106.500   23.887  127.100   23.463   29.208   3.5353   32.118   3.1336 -2.909456 4.724144 
1 1 1    7   38   25 o   29.676   2.2538  106.564   15.675   97.200   22.433  115.500   21.913   27.868   3.4851   30.593   3.0750 -2.724449 4.647737 
1 1 1    7   38   26 o   67.327   4.1199  575.061   65.184  535.200   92.313  614.700   92.056   62.041   6.3928   67.325   5.8486 -5.284054 8.664517 
1 1 1    7   38   27 o   4.5772   1.8460   1.1386   3.0742   0.6000   5.3779   1.4000   3.7467   5.6342   2.3725   5.0491   2.0373 0.5851583 3.127189 
1 1 1    7   38   28 o   27.656   3.0649   95.500   19.679   0.0000   0.0000   95.500   19.679  ?   ?    27.656   3.0649 0.000000 3.064929 
1 1 1    7   38   29 o   40.020   3.8917  205.800   36.313   0.0000   0.0000  205.800   36.313  ?   ?    40.020   3.8917 0.000000 3.891744 
1 1 1    7   38   30 o   25.931   2.9816   84.300   17.925   0.0000   0.0000   84.300   17.925  ?   ?    25.931   2.9816 0.000000 2.981594 
1 1 1    7   38   31 o   30.550   3.2609  118.100   23.161   0.0000   0.0000  118.100   23.161  ?   ?    30.550   3.2609 0.000000 3.260934 
1 1 1    7   38   32 o   20.446   2.7596   52.500   12.983   0.0000   0.0000   52.500   12.983  ?   ?    20.446   2.7596 0.000000 2.759594 
1 1 1    7   38   33 o   27.038   3.0627   92.700   19.209   0.0000   0.0000   92.700   19.209  ?   ?    27.038   3.0627 0.000000 3.062692 
1 1 1    7   38   34 o   17.535   2.6120   38.900   10.485   0.0000   0.0000   38.900   10.485  ?   ?    17.535   2.6120 0.000000 2.611971 
1 1 1    7   38   35 o   32.642   3.5097  141.000   26.628   0.0000   0.0000  141.000   26.628  ?   ?    32.642   3.5097 0.000000 3.509736 
1 1 1    7   38   36 o   15.584   2.6532   31.600   9.4135   0.0000   0.0000   31.600   9.4135  ?   ?    15.584   2.6532 0.000000 2.653150 
1 1 1    7   38   37 o   16.575   2.9885   37.100   11.266   0.0000   0.0000   37.100   11.266  ?   ?    16.575   2.9885 0.000000 2.988481 
1 1 1    7   38   38 o  ?   ?   -9.4000   2.1409   0.0000   0.0000  -9.4000   2.1409  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   38   39 o   9.9605   2.6532   13.600   6.3524   0.0000   0.0000   13.600   6.3524  ?   ?    9.9605   2.6532 0.000000 2.653235 
1 1 1    7   38   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   38   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   39    0 o   3.7996   2.3018   1.6000   3.8164   1.6000   3.8164   1.6000   3.8164   3.7996   2.3018   3.7996   2.3018 0.000000 0.000000 
1 1 1    7   39    1 o   40.105   2.6185  193.228   24.662  183.100   34.925  203.300   34.830   38.640   3.8801   40.818   3.6522 -2.177528 5.328609 
1 1 1    7   39    2 o   57.031   3.4377  394.239   46.079  362.000   65.205  426.400   65.126   53.753   5.2021   58.650   4.7431 -4.896343 7.039845 
1 1 1    7   39    3 o   23.213   2.0697   64.656   11.226   51.400   16.167   77.000   15.601   20.355   3.4891   25.228   2.6588 -4.873075 4.386696 
1 1 1    7   39    4 o   43.956   2.7997  232.574   28.908  227.300   41.176  237.700   40.594   42.984   4.1067   44.031   3.9462 -1.046944 5.695444 
1 1 1    7   39    5 o   36.487   2.4553  159.780   21.032  146.100   29.776  173.400   29.711   34.520   3.7111   37.755   3.3679 -3.234894 5.011475 
1 1 1    7   39    6 f   56.911   3.5070  393.413   46.900  357.600   66.621  428.600   66.036   53.261   5.3704   58.708   4.8055 -5.447788 7.206551 
1 1 1    7   39    7 o   17.365   1.8894   36.283   7.6226   30.100   10.809   42.400   10.751   15.559   3.0511   18.669   2.5017 -3.109692 3.945563 
1 1 1    7   39    8 o   52.338   3.1882  331.620   39.215  329.000   55.672  334.200   55.248   51.436   4.6333   51.887   4.5552 -0.4512596 6.497518 
1 1 1    7   39    9 o   87.821   5.1307  966.265  105.935  957.000  150.347  975.400  149.289   84.563   7.6108   85.566   7.4633 -1.003090 10.65953 
1 1 1    7   39   10 o   53.967   3.2077  353.106   40.694  371.600   57.938  335.100   57.168   54.672   4.5286   51.785   4.7272 2.886814 6.546381 
1 1 1    7   39   11 o   60.254   3.3564  441.241   47.566  502.000   68.021  383.100   66.540   63.530   4.5647   55.058   5.1789 8.471848 6.903433 
1 1 1    7   39   12 o   33.625   2.3221  135.845   18.325  136.300   26.071  135.400   25.762   33.372   3.3537   33.271   3.3236 0.1012039 4.721569 
1 1 1    7   39   13 o   19.191   1.8803   44.275   8.4112   50.300   11.920   38.300   11.870   20.327   2.5388   17.594   2.9624 2.733389 3.901416 
1 1 1    7   39   14 o   13.887   1.8904   23.388   6.0382   24.200   9.3188   22.800   7.9274   13.916   2.9285   13.569   2.5681 0.3468971 3.895041 
1 1 1    7   39   15 o   40.076   2.5249  193.477   23.772  224.000   33.771  163.500   33.467   42.813   3.3677   36.292   3.9701 6.521313 5.206017 
1 1 1    7   39   16 f   17.137   1.8834   35.409   7.4960   35.800   11.289   35.100   10.025   16.999   2.9174   16.908   2.5938 0.9127045E-01 3.903718 
1 1 1    7   39   17 o   8.1861   2.1375   8.3044   4.1765   3.9000   5.5407   14.100   6.3558   6.7088   2.5431   10.625   2.5629 -3.916067 3.610484 
1 1 1    7   39   18 o   10.564   1.8278   13.669   4.3944   14.800   6.6677   12.800   5.8429   10.879   2.6255   10.129   2.4661 0.7509336 3.602012 
1 1 1    7   39   19 o   35.190   2.2265  148.870   18.406  185.900   26.450  114.100   25.630   39.113   2.8842   30.313   3.6542 8.799500 4.655288 
1 1 1    7   39   20 o   16.818   1.7951   34.084   7.0185   36.500   10.314   32.000   9.5784   17.225   2.6181   16.109   2.6072 1.116299 3.694818 
1 1 1    7   39   21 o   12.423   1.8755   18.823   5.3305   23.400   8.6302   16.000   6.7779   13.680   2.7667   11.302   2.5945 2.377357 3.792897 
1 1 1    7   39   22 o   17.553   1.8225   37.177   7.4441   37.800   10.733   36.600   10.334   17.489   2.6846   17.220   2.6243 0.2688026 3.754163 
1 1 1    7   39   23 o   28.495   2.0926   97.921   13.982  110.500   20.045   86.000   19.514   30.017   2.8627   26.321   3.2058 3.695375 4.297908 
1 1 1    7   39   24 o   28.244   2.2537   96.685   14.906   78.500   21.343  114.000   20.826   24.858   3.7528   30.422   2.9355 -5.563715 4.764540 
1 1 1    7   39   25 f   41.587   2.6951  211.363   26.324  214.200   37.478  208.600   36.983   41.116   3.9070   40.571   3.9087 0.5456085 5.526559 
1 1 1    7   39   26 o   33.457   3.3982  140.500   26.474   0.0000   0.0000  140.500   26.474  ?   ?    33.457   3.3982 0.000000 3.398174 
1 1 1    7   39   27 o   14.767   2.5685   27.300   8.6313   0.0000   0.0000   27.300   8.6313  ?   ?    14.767   2.5685 0.000000 2.568531 
1 1 1    7   39   28 o   27.876   3.0933   97.500   20.019   0.0000   0.0000   97.500   20.019  ?   ?    27.876   3.0933 0.000000 3.093275 
1 1 1    7   39   29 o   34.756   3.5313  153.900   28.580   0.0000   0.0000  153.900   28.580  ?   ?    34.756   3.5313 0.000000 3.531287 
1 1 1    7   39   30 o   3.9806   1.6980   0.0000   2.8150   0.0000   0.0000   0.0000   2.8150  ?   ?    3.9806   1.6980 0.000000 1.697965 
1 1 1    7   39   31 o   4.7310   1.9388   1.0000   3.4560   0.0000   0.0000   1.0000   3.4560  ?   ?    4.7310   1.9388 0.000000 1.938843 
1 1 1    7   39   32 o   35.361   3.6375  162.200   29.940   0.0000   0.0000  162.200   29.940  ?   ?    35.361   3.6375 0.000000 3.637527 
1 1 1    7   39   33 o   20.988   2.8293   56.100   13.665   0.0000   0.0000   56.100   13.665  ?   ?    20.988   2.8293 0.000000 2.829258 
1 1 1    7   39   34 o   26.032   3.0553   88.000   18.424   0.0000   0.0000   88.000   18.424  ?   ?    26.032   3.0553 0.000000 3.055333 
1 1 1    7   39   35 o   5.5749   2.1751   2.6000   4.1357   0.0000   0.0000   2.6000   4.1357  ?   ?    5.5749   2.1751 0.000000 2.175080 
1 1 1    7   39   36 o   14.821   2.7104   29.200   9.1363   0.0000   0.0000   29.200   9.1363  ?   ?    14.821   2.7104 0.000000 2.710396 
1 1 1    7   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   39   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   40    0 o   3.7265   2.4846  -1.9000   5.9422  -1.9000   5.9422  -1.9000   5.9422   3.7265   2.4846   3.7265   2.4846 -0.000000 0.000000 
1 1 1    7   40    1 o   6.9876   2.0851   5.8872   3.7018   21.900   6.8941  -0.6000   4.3881   13.365   2.2654   4.8237   2.0894 8.541531 3.081765 
1 1 1    7   40    2 o   60.476   3.5865  445.563   50.988  450.800   72.368  440.400   71.850   59.856   5.1709   59.138   5.1979 0.7173996 7.331841 
1 1 1    7   40    3 o   56.583   3.4070  389.145   45.309  364.700   64.137  413.500   64.018   53.824   5.1074   57.572   4.7515 -3.747250 6.975777 
1 1 1    7   40    4 f   26.230   2.0441   82.488   12.561   83.300   17.901   81.700   17.631   26.148   2.9508   25.897   2.9349 0.2510929 4.161867 
1 1 1    7   40    5 o   34.889   2.4539  146.390   20.088  122.100   28.551  170.200   28.268   31.387   3.9390   37.393   3.2333 -6.006327 5.096081 
1 1 1    7   40    6 o   39.415   2.7358  187.451   25.306  147.000   36.037  226.800   35.543   34.209   4.5759   43.082   3.5247 -8.873154 5.775994 
1 1 1    7   40    7 o   39.276   2.5654  185.704   23.662  184.700   33.533  186.700   33.394   38.769   3.7082   38.996   3.6696 -0.2266464 5.216939 
1 1 1    7   40    8 o   39.008   2.6321  183.420   24.103  154.300   34.216  212.100   33.957   35.198   4.1997   41.649   3.4847 -6.451809 5.457211 
1 1 1    7   40    9 o   15.923   1.9010   30.617   7.0064   25.300   10.359   35.100   9.5123   14.197   3.1702   16.951   2.4473 -2.754587 4.004909 
1 1 1    7   40   10 o   44.356   2.5402  236.729   26.496  289.900   37.880  185.800   37.073   48.793   3.3073   38.674   4.1232 10.11892 5.285684 
1 1 1    7   40   11 o   25.014   2.0549   75.145   12.031   75.300   17.286   75.000   16.754   24.804   3.0132   24.780   2.9192 0.2337837E-01 4.195397 
1 1 1    7   40   12 o   60.009   3.6125  440.745   50.951  404.700   72.151  476.600   71.960   56.205   5.5071   61.437   5.0037 -5.231995 7.440733 
1 1 1    7   40   13 o   48.914   2.9310  289.750   33.698  311.000   48.001  269.100   47.318   50.100   4.0933   46.430   4.3671 3.669140 5.985525 
1 1 1    7   40   14 o   12.816   2.2144   20.188   6.4593   3.0000   9.8841   33.000   8.5337   8.0102   3.2803   16.460   2.2548 -8.449968 3.980561 
1 1 1    7   40   15 o   42.479   2.4379  217.145   24.352  265.300   34.909  171.500   33.988   46.668   3.1869   37.164   3.9327 9.503929 5.061844 
1 1 1    7   40   16 o   45.786   2.5208  252.618   27.149  317.900   38.912  190.700   37.897   51.050   3.2448   39.062   4.1731 11.98858 5.286157 
1 1 1    7   40   17 o   33.013   2.3372  131.310   18.102  127.500   25.806  135.000   25.399   32.153   3.4530   33.159   3.2871 -1.005962 4.767422 
1 1 1    7   40   18 o   11.085   1.9006   15.064   4.7958   21.600   7.4788   10.500   6.2499   13.198   2.4910   9.2392   2.6969 3.958813 3.671347 
1 1 1    7   40   19 o   2.8725   1.2941  -0.9565   1.8504  -6.7000   3.4841   1.3000   2.1838   3.0059   1.4705   4.1098   1.5869 -1.103903 2.163491 
1 1 1    7   40   20 o   51.347   3.1469  322.994   37.972  296.500   53.694  349.500   53.706   48.061   4.7953   52.560   4.3668 -4.499561 6.485625 
1 1 1    7   40   21 o   30.297   2.1911  110.817   15.570  114.400   22.123  107.300   21.917   30.450   3.1209   29.447   3.2037 1.003138 4.472548 
1 1 1    7   40   22 o   6.5103   1.8492   5.2009   2.9760   8.2000   5.2743   3.8000   3.6047   8.2056   2.4980   5.9537   2.0813 2.251945 3.251432 
1 1 1    7   40   23 f   47.276   3.0326  275.044   33.676  261.900   47.891  287.900   47.364   44.997   4.5707   47.448   4.2732 -2.451492 6.257115 
1 1 1    7   40   24 o   26.127   2.9993   84.800   18.169   0.0000   0.0000   84.800   18.169  ?   ?    26.127   2.9993 0.000000 2.999304 
1 1 1    7   40   25 o   39.464   3.8211  198.500   35.163   0.0000   0.0000  198.500   35.163  ?   ?    39.464   3.8211 0.000000 3.821099 
1 1 1    7   40   26 o   32.823   3.3909  136.000   25.903   0.0000   0.0000  136.000   25.903  ?   ?    32.823   3.3909 0.000000 3.390878 
1 1 1    7   40   27 o   45.472   4.3422  270.900   46.058   0.0000   0.0000  270.900   46.058  ?   ?    45.472   4.3422 0.000000 4.342204 
1 1 1    7   40   28 o   13.951   2.6617   24.600   8.4485   0.0000   0.0000   24.600   8.4485  ?   ?    13.951   2.6617 0.000000 2.661721 
1 1 1    7   40   29 o   14.041   2.5977   24.900   8.2957   0.0000   0.0000   24.900   8.2957  ?   ?    14.041   2.5977 0.000000 2.597705 
1 1 1    7   40   30 o   37.509   3.7892  182.700   33.102   0.0000   0.0000  182.700   33.102  ?   ?    37.509   3.7892 0.000000 3.789229 
1 1 1    7   40   31 o   45.102   4.4702  276.200   46.982   0.0000   0.0000  276.200   46.982  ?   ?    45.102   4.4702 0.000000 4.470236 
1 1 1    7   40   32 o   28.115   3.1721  102.100   20.692   0.0000   0.0000  102.100   20.692  ?   ?    28.115   3.1721 0.000000 3.172120 
1 1 1    7   40   33 o   13.253   2.6855   22.900   8.1166   0.0000   0.0000   22.900   8.1166  ?   ?    13.253   2.6855 0.000000 2.685508 
1 1 1    7   40   34 f   20.416   2.8593   54.700   13.407   0.0000   0.0000   54.700   13.407  ?   ?    20.416   2.8593 0.000000 2.859293 
1 1 1    7   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   40   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   41    0 o   26.473   3.2561   87.400   19.528   87.400   19.528   87.400   19.528   26.473   3.2561   26.473   3.2561 0.000000 0.000000 
1 1 1    7   41    1 o   36.024   2.4469  156.111   20.691  148.100   29.375  164.000   29.150   34.697   3.6395   36.615   3.4107 -1.918873 4.987854 
1 1 1    7   41    2 o   21.570   1.8613   55.794   9.3875   63.900   13.408   48.000   13.147   22.959   2.5143   19.766   2.9034 3.192860 3.840736 
1 1 1    7   41    3 o   66.277   4.0204  540.681   62.623  470.500   88.773  610.200   88.353   60.013   6.3613   69.274   5.4451 -9.260700 8.373425 
1 1 1    7   41    4 o   11.096   2.1480   15.188   5.4249   8.2000   8.6611   19.700   6.9591   8.9271   3.2158   12.623   2.4228 -3.695765 4.026327 
1 1 1    7   41    5 o   51.034   3.0119  315.357   36.136  350.600   51.470  281.100   50.745   53.254   4.1252   47.398   4.5915 5.856224 6.172408 
1 1 1    7   41    6 o   67.752   3.7765  562.596   60.179  672.600   85.521  454.700   84.697   73.131   4.9820   59.124   6.1569 14.00670 7.920081 
1 1 1    7   41    7 o   17.338   1.8128   36.162   7.3119   18.300   10.315   54.200   10.366   12.111   3.4437   21.210   2.0972 -9.098387 4.032032 
1 1 1    7   41    8 o   27.836   2.2636   93.246   14.750   71.700   21.189  113.500   20.544   23.922   3.8843   30.561   2.8808 -6.638929 4.836034 
1 1 1    7   41    9 o   20.681   1.8426   51.329   8.9043   59.900   13.021   43.800   12.204   22.207   2.5281   18.874   2.8251 3.333002 3.791117 
1 1 1    7   41   10 o   36.219   2.3522  157.749   20.008  176.500   28.610  139.800   27.991   38.029   3.2161   33.684   3.5738 4.345684 4.807830 
1 1 1    7   41   11 o   52.735   3.2819  338.813   40.666  306.600   57.703  370.600   57.320   49.137   5.0447   54.441   4.4992 -5.303364 6.759509 
1 1 1    7   41   12 o   55.091   3.3094  370.025   42.853  390.300   60.640  349.800   60.565   55.749   4.6488   52.560   4.9378 3.188934 6.781832 
1 1 1    7   41   13 o   28.635   2.0389   98.399   13.696  123.300   19.722   75.200   19.036   31.908   2.6413   24.653   3.3573 7.254889 4.271724 
1 1 1    7   41   14 o   3.8284   1.6754  -0.6578   2.8830   2.3000   5.1604  -2.0000   3.4761   6.0460   2.4077   3.8790   1.7582 2.166939 2.981299 
1 1 1    7   41   15 o   42.155   2.6922  215.011   26.659  220.500   37.836  209.600   37.569   42.175   3.8414   41.070   3.9214 1.104343 5.489413 
1 1 1    7   41   16 o   9.3150   2.2432   10.812   4.8753  -5.2000   7.4509   22.800   6.4470   5.4975   2.5229   13.661   2.0628 -8.163396 3.258868 
1 1 1    7   41   17 o   28.988   2.1896  101.311   14.877   84.800   21.111  117.600   20.969   26.073   3.5188   31.015   2.8967 -4.941793 4.557782 
1 1 1    7   41   18 f   27.444   2.1693   90.907   13.943   83.900   20.026   97.500   19.425   25.971   3.3432   28.169   2.9647 -2.198843 4.468371 
1 1 1    7   41   19 o   31.713   2.3331  121.727   17.349  112.000   24.834  131.000   24.248   29.919   3.5866   32.567   3.1941 -2.648220 4.802728 
1 1 1    7   41   20 o   16.560   2.0101   33.351   7.6994   25.600   11.524   39.600   10.348   14.124   3.4784   17.931   2.5128 -3.807891 4.291115 
1 1 1    7   41   21 o   29.817   3.1778  110.400   22.029   0.0000   0.0000  110.400   22.029  ?   ?    29.817   3.1778 0.000000 3.177757 
1 1 1    7   41   22 o   53.488   4.9389  376.400   61.675   0.0000   0.0000  376.400   61.675  ?   ?    53.488   4.9389 0.000000 4.938854 
1 1 1    7   41   23 o   39.522   3.8253  198.800   35.254   0.0000   0.0000  198.800   35.254  ?   ?    39.522   3.8253 0.000000 3.825347 
1 1 1    7   41   24 o   31.281   3.2730  122.900   23.818   0.0000   0.0000  122.900   23.818  ?   ?    31.281   3.2730 0.000000 3.273004 
1 1 1    7   41   25 o   52.003   4.8995  361.900   59.455   0.0000   0.0000  361.900   59.455  ?   ?    52.003   4.8995 0.000000 4.899483 
1 1 1    7   41   26 o   47.253   4.4946  294.400   49.547   0.0000   0.0000  294.400   49.547  ?   ?    47.253   4.4946 0.000000 4.494650 
1 1 1    7   41   27 o   30.162   3.2592  115.000   22.844   0.0000   0.0000  115.000   22.844  ?   ?    30.162   3.2592 0.000000 3.259167 
1 1 1    7   41   28 o   10.518   2.5556   14.100   6.2848   0.0000   0.0000   14.100   6.2848  ?   ?    10.518   2.5556 0.000000 2.555632 
1 1 1    7   41   29 o   25.955   3.0399   85.300   18.278   0.0000   0.0000   85.300   18.278  ?   ?    25.955   3.0399 0.000000 3.039921 
1 1 1    7   41   30 o   13.397   2.7422   23.100   8.3830   0.0000   0.0000   23.100   8.3830  ?   ?    13.397   2.7422 0.000000 2.742224 
1 1 1    7   41   31 o   20.411   3.0117   54.000   14.080   0.0000   0.0000   54.000   14.080  ?   ?    20.411   3.0117 0.000000 3.011715 
1 1 1    7   41   32 o   13.070   2.9660   22.800   8.9441   0.0000   0.0000   22.800   8.9441  ?   ?    13.070   2.9660 0.000000 2.966012 
1 1 1    7   41   33 o   19.678   3.0109   51.700   13.546   0.0000   0.0000   51.700   13.546  ?   ?    19.678   3.0109 0.000000 3.010888 
1 1 1    7   41   34 o   19.177   2.9166   49.400   12.791   0.0000   0.0000   49.400   12.791  ?   ?    19.177   2.9166 0.000000 2.916569 
1 1 1    7   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   41   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   42    0 o   33.920   3.3997  141.800   26.603  141.800   26.603  141.800   26.603   33.920   3.3997   33.920   3.3997 -0.000000 0.000000 
1 1 1    7   42    1 o   28.422   2.0744   96.916   13.826  103.900   19.902   90.400   19.222   29.212   2.9244   27.194   3.0457 2.018295 4.222363 
1 1 1    7   42    2 o   43.868   2.3250  230.960   23.998  304.800   34.625  162.700   33.291   50.181   2.9348   36.217   3.9571 13.96383 4.926690 
1 1 1    7   42    3 o   50.688   3.0645  311.677   36.508  329.600   51.882  294.100   51.381   51.474   4.3081   48.468   4.5423 3.005486 6.260346 
1 1 1    7   42    4 o   35.499   2.2421  151.279   18.698  182.300   26.881  122.200   26.026   38.756   2.9597   31.482   3.5637 7.273756 4.632461 
1 1 1    7   42    5 o   43.950   2.7055  233.170   27.942  249.800   39.858  217.100   39.182   45.036   3.7829   41.857   4.0134 3.179611 5.515276 
1 1 1    7   42    6 o   40.535   2.6014  198.156   24.768  207.100   35.318  189.500   34.745   41.020   3.6855   39.174   3.8041 1.846741 5.296578 
1 1 1    7   42    7 o   21.193   2.0980   54.144   10.361   39.700   15.161   66.800   14.192   17.706   3.7433   23.442   2.6081 -5.735521 4.562288 
1 1 1    7   42    8 o   10.883   2.0323   14.582   5.0306   17.400   8.3901   13.000   6.2857   11.776   3.0067   10.208   2.6004 1.568364 3.975255 
1 1 1    7   42    9 o   21.472   2.0181   55.506   10.113   38.900   14.461   71.400   14.147   17.547   3.6104   24.263   2.5053 -6.716185 4.394491 
1 1 1    7   42   10 o   58.748   3.4959  422.426   48.278  317.600   68.251  527.400   68.299   49.251   5.9920   64.947   4.4808 -15.69610 7.482100 
1 1 1    7   42   11 o   29.420   2.0992  103.954   14.488  117.400   21.026   91.800   19.990   31.045   2.9019   27.342   3.1540 3.703262 4.285892 
1 1 1    7   42   12 o   25.229   2.0108   76.499   11.880   78.700   16.806   74.300   16.795   25.370   2.8549   24.614   2.9482 0.7559223 4.103998 
1 1 1    7   42   13 o   25.848   2.1585   80.536   13.054   52.500   18.609  107.700   18.317   20.277   4.0285   29.781   2.6318 -9.504213 4.811962 
1 1 1    7   42   14 o   21.390   1.9280   55.093   9.6337   61.900   14.143   49.200   13.159   22.480   2.7196   19.963   2.8743 2.517296 3.957032 
1 1 1    7   42   15 o   3.4144   1.4524   0.0029   2.0494   0.8000   3.9054  -0.3000   2.4075   4.9444   2.0472   3.5862   1.5505 1.358190 2.568104 
1 1 1    7   42   16 o   33.903   2.2844  138.792   18.182  156.200   26.319  122.900   25.147   35.625   3.1614   31.450   3.4423 4.175325 4.673790 
1 1 1    7   42   17 o   17.355   1.9395   36.492   7.8127   28.800   11.447   43.200   10.690   15.039   3.3128   18.764   2.4728 -3.724548 4.133906 
1 1 1    7   42   18 o   27.076   3.0038   90.600   18.882   0.0000   0.0000   90.600   18.882  ?   ?    27.076   3.0038 0.000000 3.003844 
1 1 1    7   42   19 o   21.665   2.7697   58.000   13.845   0.0000   0.0000   58.000   13.845  ?   ?    21.665   2.7697 0.000000 2.769678 
1 1 1    7   42   20 o   40.041   3.8498  203.300   35.952   0.0000   0.0000  203.300   35.952  ?   ?    40.041   3.8498 0.000000 3.849799 
1 1 1    7   42   21 o   14.795   2.5278   27.300   8.5140   0.0000   0.0000   27.300   8.5140  ?   ?    14.795   2.5278 0.000000 2.527845 
1 1 1    7   42   22 o   24.679   2.8963   75.800   16.557   0.0000   0.0000   75.800   16.557  ?   ?    24.679   2.8963 0.000000 2.896325 
1 1 1    7   42   23 o   13.910   2.6647   24.400   8.4343   0.0000   0.0000   24.400   8.4343  ?   ?    13.910   2.6647 0.000000 2.664723 
1 1 1    7   42   24 o   40.209   3.9150  207.900   36.701   0.0000   0.0000  207.900   36.701  ?   ?    40.209   3.9150 0.000000 3.915026 
1 1 1    7   42   25 o   17.555   2.6909   38.600   10.799   0.0000   0.0000   38.600   10.799  ?   ?    17.555   2.6909 0.000000 2.690899 
1 1 1    7   42   26 o   37.745   3.7894  183.800   33.318   0.0000   0.0000  183.800   33.318  ?   ?    37.745   3.7894 0.000000 3.789351 
1 1 1    7   42   27 o   6.2171   2.4829   2.6000   5.5028   0.0000   0.0000   2.6000   5.5028  ?   ?    6.2171   2.4829 0.000000 2.482946 
1 1 1    7   42   28 o   11.297   3.0107   16.600   8.1767   0.0000   0.0000   16.600   8.1767  ?   ?    11.297   3.0107 0.000000 3.010661 
1 1 1    7   42   29 o   13.508   3.0767   24.000   9.5942   0.0000   0.0000   24.000   9.5942  ?   ?    13.508   3.0767 0.000000 3.076695 
1 1 1    7   42   30 o   29.634   3.4013  116.300   23.370   0.0000   0.0000  116.300   23.370  ?   ?    29.634   3.4013 0.000000 3.401318 
1 1 1    7   42   31 o   15.192   3.0066   30.800   10.404   0.0000   0.0000   30.800   10.404  ?   ?    15.192   3.0066 0.000000 3.006568 
1 1 1    7   42   32 o   14.846   3.1426   30.200   10.674   0.0000   0.0000   30.200   10.674  ?   ?    14.846   3.1426 0.000000 3.142639 
1 1 1    7   42   33 o   13.408   3.1336   25.000   9.7430   0.0000   0.0000   25.000   9.7430  ?   ?    13.408   3.1336 0.000000 3.133649 
1 1 1    7   42   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   42   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   42   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   43    0 o   17.833   2.8209   40.600   10.990   40.600   10.990   40.600   10.990   17.833   2.8209   17.833   2.8209 -0.000000 0.000000 
1 1 1    7   43    1 o   17.761   1.8428   37.974   7.6163   22.500   10.745   53.600   10.797   13.348   3.3997   21.060   2.2038 -7.712222 4.051478 
1 1 1    7   43    2 o   39.581   2.5842  189.024   24.020  195.500   34.172  182.700   33.770   39.829   3.6749   38.452   3.7677 1.377014 5.263079 
1 1 1    7   43    3 o   4.9632   1.9065   1.9628   3.1398   4.1000   4.8312   0.4000   4.1312   6.5229   2.3938   4.9538   2.0823 1.569086 3.172751 
1 1 1    7   43    4 o   61.455   3.4691  461.727   50.136  532.200   71.274  392.700   70.538   65.111   4.6667   55.269   5.4769 9.841450 7.195456 
1 1 1    7   43    5 o   30.645   2.2418  112.977   16.110  100.400   22.853  125.400   22.713   28.508   3.4661   32.056   3.0368 -3.547592 4.608252 
1 1 1    7   43    6 o   9.4716   1.7845   11.030   3.8447   45.300   7.0291  -3.6000   4.5926   19.463   1.5420   4.2568   1.9635 15.20643 2.496614 
1 1 1    7   43    7 o   25.435   2.1030   77.857   12.518   71.300   17.923   84.100   17.490   24.018   3.2432   26.236   2.8698 -2.218153 4.330617 
1 1 1    7   43    8 o   28.406   2.1046   97.018   14.017  102.700   20.160   91.700   19.502   28.973   2.9896   27.334   3.0748 1.639231 4.288580 
1 1 1    7   43    9 o   12.880   1.8549   20.185   5.4789   13.900   7.8349   26.200   7.6647   10.566   3.0001   14.612   2.2972 -4.045776 3.778627 
1 1 1    7   43   10 o   19.205   1.8989   44.456   8.4984   52.000   12.918   38.700   11.284   20.580   2.7253   17.688   2.7944 2.891811 3.903330 
1 1 1    7   43   11 o   22.890   1.9451   63.065   10.414   70.400   15.344   56.800   14.180   23.975   2.7607   21.472   2.8685 2.502920 3.981152 
1 1 1    7   43   12 o   22.632   1.9528   61.686   10.334   62.300   14.789   61.100   14.445   22.502   2.8470   22.294   2.8062 0.2084255 3.997478 
1 1 1    7   43   13 f   60.228   3.4624  447.689   49.035  496.300   69.717  400.100   68.980   62.230   4.7809   55.304   5.3489 6.926239 7.174083 
1 1 1    7   43   14 f   17.176   1.8374   35.656   7.3368   44.400   10.402   27.000   10.350   19.060   2.3619   14.608   3.0965 4.451747 3.894443 
1 1 1    7   43   15 o   9.8619   2.4388   12.200   5.6475   0.0000   0.0000   12.200   5.6475  ?   ?    9.8619   2.4388 0.000000 2.438758 
1 1 1    7   43   16 o   25.689   2.9258   81.500   17.432   0.0000   0.0000   81.500   17.432  ?   ?    25.689   2.9258 0.000000 2.925759 
1 1 1    7   43   17 o   44.214   4.1544  249.400   42.865   0.0000   0.0000  249.400   42.865  ?   ?    44.214   4.1544 0.000000 4.154364 
1 1 1    7   43   18 o   20.755   2.7425   53.400   13.112   0.0000   0.0000   53.400   13.112  ?   ?    20.755   2.7425 0.000000 2.742535 
1 1 1    7   43   19 o   22.968   2.8387   65.500   15.068   0.0000   0.0000   65.500   15.068  ?   ?    22.968   2.8387 0.000000 2.838678 
1 1 1    7   43   20 o   38.125   3.7604  185.000   33.412   0.0000   0.0000  185.000   33.412  ?   ?    38.125   3.7604 0.000000 3.760394 
1 1 1    7   43   21 o   48.099   4.5368  303.600   50.921   0.0000   0.0000  303.600   50.921  ?   ?    48.099   4.5368 0.000000 4.536840 
1 1 1    7   43   22 o   30.111   3.3195  114.300   23.211   0.0000   0.0000  114.300   23.211  ?   ?    30.111   3.3195 0.000000 3.319500 
1 1 1    7   43   23 o   32.990   3.4917  138.200   26.788   0.0000   0.0000  138.200   26.788  ?   ?    32.990   3.4917 0.000000 3.491719 
1 1 1    7   43   24 o   33.730   3.5007  145.000   27.476   0.0000   0.0000  145.000   27.476  ?   ?    33.730   3.5007 0.000000 3.500679 
1 1 1    7   43   25 o   26.790   3.1119   90.700   19.319   0.0000   0.0000   90.700   19.319  ?   ?    26.790   3.1119 0.000000 3.111878 
1 1 1    7   43   26 o   10.141   2.7924   13.200   6.8990   0.0000   0.0000   13.200   6.8990  ?   ?    10.141   2.7924 0.000000 2.792365 
1 1 1    7   43   27 o   6.0951   2.5409   1.4000   6.0743   0.0000   0.0000   1.4000   6.0743  ?   ?    6.0951   2.5409 0.000000 2.540864 
1 1 1    7   43   28 o   17.137   3.1234   38.600   12.173   0.0000   0.0000   38.600   12.173  ?   ?    17.137   3.1234 0.000000 3.123424 
1 1 1    7   43   29 f   17.538   3.0479   40.700   12.164   0.0000   0.0000   40.700   12.164  ?   ?    17.538   3.0479 0.000000 3.047928 
1 1 1    7   43   30 o   11.246   3.0252   17.200   8.2092   0.0000   0.0000   17.200   8.2092  ?   ?    11.246   3.0252 0.000000 3.025154 
1 1 1    7   43   31 o   31.281   3.6755  137.800   26.632   0.0000   0.0000  137.800   26.632  ?   ?    31.281   3.6755 0.000000 3.675462 
1 1 1    7   43   32 f   6.3076   2.5531   3.0000   5.9035   0.0000   0.0000   3.0000   5.9035  ?   ?    6.3076   2.5531 0.000000 2.553075 
1 1 1    7   43   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   43   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   43   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   44    0 o   61.530   5.3784  476.500   76.771  476.500   76.771  476.500   76.771   61.530   5.3784   61.530   5.3784 -0.000000 0.000000 
1 1 1    7   44    1 o   44.631   2.8161  241.849   29.526  242.400   41.788  241.300   41.724   44.037   4.0645   43.934   4.0680 0.1026421 5.750556 
1 1 1    7   44    2 o   11.453   1.8460   16.036   4.8229   11.400   6.7746   20.800   6.8677   9.6126   2.8084   12.976   2.3268 -3.363441 3.647083 
1 1 1    7   44    3 o   8.1922   1.9815   8.3392   3.7914   20.900   6.2166   0.9000   4.7842   13.060   2.0860   5.4439   2.2609 7.615932 3.076269 
1 1 1    7   44    4 o   24.328   2.0390   71.281   11.606   70.800   17.014   71.700   15.871   23.950   3.0798   24.184   2.8328 -0.2334309 4.184479 
1 1 1    7   44    5 o   12.835   1.9786   20.138   5.8041   22.900   9.3397   18.400   7.4083   13.479   3.0104   12.120   2.6615 1.359400 4.018203 
1 1 1    7   44    6 o   23.559   2.0033   66.850   11.039   68.500   16.140   65.400   15.131   23.582   2.9639   23.075   2.8366 0.5072384 4.102592 
1 1 1    7   44    7 o   53.663   3.1681  352.435   39.968  386.300   56.833  319.300   56.217   55.318   4.3868   49.927   4.8287 5.391319 6.523844 
1 1 1    7   44    8 o   61.597   3.7034  470.453   53.616  478.500   76.290  462.600   75.369   60.547   5.3924   59.494   5.4245 1.053051 7.648752 
1 1 1    7   44    9 o   72.557   4.1934  661.945   71.541  712.200  101.744  612.800  100.615   73.081   5.9474   67.138   6.4250 5.943039 8.755118 
1 1 1    7   44   10 o   5.9143   2.0453   3.8000   3.4766   3.8000   7.0696   3.8000   3.9928   7.2042   2.8341   6.0925   2.1846 1.111635 3.578336 
1 1 1    7   44   11 o   12.654   2.5243   20.000   7.2783   0.0000   0.0000   20.000   7.2783  ?   ?    12.654   2.5243 0.000000 2.524317 
1 1 1    7   44   12 o   23.199   2.8489   66.400   15.279   0.0000   0.0000   66.400   15.279  ?   ?    23.199   2.8489 0.000000 2.848930 
1 1 1    7   44   13 o   41.038   3.9106  212.500   37.437   0.0000   0.0000  212.500   37.437  ?   ?    41.038   3.9106 0.000000 3.910589 
1 1 1    7   44   14 o   12.648   2.6125   20.100   7.5442   0.0000   0.0000   20.100   7.5442  ?   ?    12.648   2.6125 0.000000 2.612506 
1 1 1    7   44   15 o   18.803   2.7159   43.900   11.709   0.0000   0.0000   43.900   11.709  ?   ?    18.803   2.7159 0.000000 2.715897 
1 1 1    7   44   16 o   32.662   3.3761  133.700   25.663   0.0000   0.0000  133.700   25.663  ?   ?    32.662   3.3761 0.000000 3.376056 
1 1 1    7   44   17 o   11.472   3.2039   16.800   9.0128   0.0000   0.0000   16.800   9.0128  ?   ?    11.472   3.2039 0.000000 3.203925 
1 1 1    7   44   18 o   30.428   3.2787  116.200   23.186   0.0000   0.0000  116.200   23.186  ?   ?    30.428   3.2787 0.000000 3.278715 
1 1 1    7   44   19 o   55.757   5.3056  421.300   69.011   0.0000   0.0000  421.300   69.011  ?   ?    55.757   5.3056 0.000000 5.305558 
1 1 1    7   44   20 o   8.9809   2.5624   10.100   5.7010   0.0000   0.0000   10.100   5.7010  ?   ?    8.9809   2.5624 0.000000 2.562359 
1 1 1    7   44   21 o   19.248   2.7368   46.300   12.089   0.0000   0.0000   46.300   12.089  ?   ?    19.248   2.7368 0.000000 2.736800 
1 1 1    7   44   22 o   38.363   3.8632  189.900   34.520   0.0000   0.0000  189.900   34.520  ?   ?    38.363   3.8632 0.000000 3.863178 
1 1 1    7   44   23 o   24.936   3.0358   78.400   17.507   0.0000   0.0000   78.400   17.507  ?   ?    24.936   3.0358 0.000000 3.035773 
1 1 1    7   44   24 o   13.583   2.5715   23.400   7.9457   0.0000   0.0000   23.400   7.9457  ?   ?    13.583   2.5715 0.000000 2.571457 
1 1 1    7   44   25 o   13.955   2.8926   25.200   9.2189   0.0000   0.0000   25.200   9.2189  ?   ?    13.955   2.8926 0.000000 2.892556 
1 1 1    7   44   26 o   17.297   2.9051   38.700   11.445   0.0000   0.0000   38.700   11.445  ?   ?    17.297   2.9051 0.000000 2.905077 
1 1 1    7   44   27 o   30.432   3.4792  123.700   24.552   0.0000   0.0000  123.700   24.552  ?   ?    30.432   3.4792 0.000000 3.479187 
1 1 1    7   44   28 f   19.622   2.9256   50.700   13.142   0.0000   0.0000   50.700   13.142  ?   ?    19.622   2.9256 0.000000 2.925623 
1 1 1    7   44   29 o   11.559   2.9652   18.200   8.1332   0.0000   0.0000   18.200   8.1332  ?   ?    11.559   2.9652 0.000000 2.965193 
1 1 1    7   44   30 o   16.976   3.0791   39.300   11.889   0.0000   0.0000   39.300   11.889  ?   ?    16.976   3.0791 0.000000 3.079098 
1 1 1    7   44   31 o   21.680   3.1548   64.600   15.677   0.0000   0.0000   64.600   15.677  ?   ?    21.680   3.1548 0.000000 3.154757 
1 1 1    7   44   32 o   4.7741   2.2078  -3.8000   5.8630   0.0000   0.0000  -3.8000   5.8630  ?   ?    4.7741   2.2078 0.000000 2.207830 
1 1 1    7   44   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   45    0 o   12.721   3.8214   24.000   10.004   24.000   10.004   24.000   10.004   12.721   3.8214   12.721   3.8214 -0.000000 0.000000 
1 1 1    7   45    1 o   16.184   2.0970   31.908   7.8256   39.600   10.829   23.500   11.322   17.915   2.6388   13.561   3.5089 4.354277 4.390411 
1 1 1    7   45    2 o   18.289   1.9655   40.483   8.3554   74.600   12.707   14.500   11.090   24.832   2.1896   11.021   3.6542 13.81022 4.259947 
1 1 1    7   45    3 f   11.144   2.3350   15.488   5.9480   25.100   8.3953   5.8000   8.4282   14.200   2.5995   8.1677   3.1268 6.032485 4.066220 
1 1 1    7   45    4 o   12.220   2.2246   18.480   6.1829   21.200   8.5510   15.500   8.9507   12.966   2.8688   11.119   3.2223 1.847047 4.314269 
1 1 1    7   45    5 o   22.174   1.9699   59.325   10.207   51.100   14.093   68.400   14.802   20.261   3.0395   23.611   2.7036 -3.350801 4.067916 
1 1 1    7   45    6 o   14.489   2.7909   26.300   9.2023   0.0000   0.0000   26.300   9.2023  ?   ?    14.489   2.7909 0.000000 2.790904 
1 1 1    7   45    7 o   44.117   4.1763  246.700   42.989   0.0000   0.0000  246.700   42.989  ?   ?    44.117   4.1763 0.000000 4.176343 
1 1 1    7   45    8 o   35.094   3.5628  153.900   29.116   0.0000   0.0000  153.900   29.116  ?   ?    35.094   3.5628 0.000000 3.562823 
1 1 1    7   45    9 o   37.989   3.7567  181.500   33.258   0.0000   0.0000  181.500   33.258  ?   ?    37.989   3.7567 0.000000 3.756656 
1 1 1    7   45   10 o   17.588   2.9733   38.800   11.909   0.0000   0.0000   38.800   11.909  ?   ?    17.588   2.9733 0.000000 2.973287 
1 1 1    7   45   11 o   25.003   2.9850   77.600   17.275   0.0000   0.0000   77.600   17.275  ?   ?    25.003   2.9850 0.000000 2.984950 
1 1 1    7   45   12 o   22.116   2.8507   60.700   14.541   0.0000   0.0000   60.700   14.541  ?   ?    22.116   2.8507 0.000000 2.850656 
1 1 1    7   45   13 o   54.310   5.0982  391.900   64.616   0.0000   0.0000  391.900   64.616  ?   ?    54.310   5.0982 0.000000 5.098197 
1 1 1    7   45   14 o   31.881   3.3720  127.600   25.000   0.0000   0.0000  127.600   25.000  ?   ?    31.881   3.3720 0.000000 3.372018 
1 1 1    7   45   15 o   17.653   3.0586   39.400   12.288   0.0000   0.0000   39.400   12.288  ?   ?    17.653   3.0586 0.000000 3.058609 
1 1 1    7   45   16 o   12.929   2.7703   21.200   8.2037   0.0000   0.0000   21.200   8.2037  ?   ?    12.929   2.7703 0.000000 2.770349 
1 1 1    7   45   17 o   23.957   3.0257   71.800   16.734   0.0000   0.0000   71.800   16.734  ?   ?    23.957   3.0257 0.000000 3.025657 
1 1 1    7   45   18 o   9.9741   2.6813   12.600   6.4512   0.0000   0.0000   12.600   6.4512  ?   ?    9.9741   2.6813 0.000000 2.681260 
1 1 1    7   45   19 o   11.051   2.8152   15.600   7.3671   0.0000   0.0000   15.600   7.3671  ?   ?    11.051   2.8152 0.000000 2.815212 
1 1 1    7   45   20 o   19.247   2.7517   46.400   12.150   0.0000   0.0000   46.400   12.150  ?   ?    19.247   2.7517 0.000000 2.751712 
1 1 1    7   45   21 o   28.746   3.2461  104.800   21.648   0.0000   0.0000  104.800   21.648  ?   ?    28.746   3.2461 0.000000 3.246080 
1 1 1    7   45   22 o   13.467   2.9181   23.400   9.0119   0.0000   0.0000   23.400   9.0119  ?   ?    13.467   2.9181 0.000000 2.918136 
1 1 1    7   45   23 o   35.716   3.6886  167.100   30.661   0.0000   0.0000  167.100   30.661  ?   ?    35.716   3.6886 0.000000 3.688606 
1 1 1    7   45   24 o   19.255   2.8532   47.600   12.581   0.0000   0.0000   47.600   12.581  ?   ?    19.255   2.8532 0.000000 2.853195 
1 1 1    7   45   25 o   14.025   3.0801   26.200   9.9215   0.0000   0.0000   26.200   9.9215  ?   ?    14.025   3.0801 0.000000 3.080077 
1 1 1    7   45   26 o   17.307   3.1472   40.100   12.388   0.0000   0.0000   40.100   12.388  ?   ?    17.307   3.1472 0.000000 3.147164 
1 1 1    7   45   27 o   28.277   3.5101  109.800   22.934   0.0000   0.0000  109.800   22.934  ?   ?    28.277   3.5101 0.000000 3.510071 
1 1 1    7   45   28 o   20.566   3.0449   56.900   14.340   0.0000   0.0000   56.900   14.340  ?   ?    20.566   3.0449 0.000000 3.044908 
1 1 1    7   45   29 o   4.4349   2.0113  -2.1000   4.5566   0.0000   0.0000  -2.1000   4.5566  ?   ?    4.4349   2.0113 0.000000 2.011303 
1 1 1    7   45   30 o   14.383   3.0889   28.800   10.178   0.0000   0.0000   28.800   10.178  ?   ?    14.383   3.0889 0.000000 3.088854 
1 1 1    7   45   31 o   14.778   3.1310   30.500   10.586   0.0000   0.0000   30.500   10.586  ?   ?    14.778   3.1310 0.000000 3.130991 
1 1 1    7   45   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   46    1 o   16.363   2.8299   33.500   10.539   0.0000   0.0000   33.500   10.539  ?   ?    16.363   2.8299 0.000000 2.829857 
1 1 1    7   46    2 o   43.676   4.2062  243.500   42.844   0.0000   0.0000  243.500   42.844  ?   ?    43.676   4.2062 0.000000 4.206222 
1 1 1    7   46    3 o   15.947   2.8621   31.900   10.382   0.0000   0.0000   31.900   10.382  ?   ?    15.947   2.8621 0.000000 2.862145 
1 1 1    7   46    4 o   23.779   2.9307   70.100   16.108   0.0000   0.0000   70.100   16.108  ?   ?    23.779   2.9307 0.000000 2.930734 
1 1 1    7   46    5 o   11.399   2.9852   16.500   8.1304   0.0000   0.0000   16.500   8.1304  ?   ?    11.399   2.9852 0.000000 2.985207 
1 1 1    7   46    6 o   24.526   3.1099   75.000   17.606   0.0000   0.0000   75.000   17.606  ?   ?    24.526   3.1099 0.000000 3.109918 
1 1 1    7   46    7 o   8.1268   2.8675   7.2000   6.8527   0.0000   0.0000   7.2000   6.8527  ?   ?    8.1268   2.8675 0.000000 2.867492 
1 1 1    7   46    8 o   9.8081   2.6979   12.100   6.4439   0.0000   0.0000   12.100   6.4439  ?   ?    9.8081   2.6979 0.000000 2.697891 
1 1 1    7   46    9 o   16.552   2.7053   34.200   10.208   0.0000   0.0000   34.200   10.208  ?   ?    16.552   2.7053 0.000000 2.705264 
1 1 1    7   46   10 o   19.452   2.8984   47.300   12.907   0.0000   0.0000   47.300   12.907  ?   ?    19.452   2.8984 0.000000 2.898414 
1 1 1    7   46   11 o   22.540   2.9712   63.400   15.429   0.0000   0.0000   63.400   15.429  ?   ?    22.540   2.9712 0.000000 2.971220 
1 1 1    7   46   12 o   12.156   2.6749   18.700   7.4699   0.0000   0.0000   18.700   7.4699  ?   ?    12.156   2.6749 0.000000 2.674878 
1 1 1    7   46   13 o   27.697   3.1412   95.900   20.180   0.0000   0.0000   95.900   20.180  ?   ?    27.697   3.1412 0.000000 3.141152 
1 1 1    7   46   14 o   7.3992   2.4393   6.4000   4.9444   0.0000   0.0000   6.4000   4.9444  ?   ?    7.3992   2.4393 0.000000 2.439336 
1 1 1    7   46   15 o   28.727   3.2085  103.600   21.393   0.0000   0.0000  103.600   21.393  ?   ?    28.727   3.2085 0.000000 3.208497 
1 1 1    7   46   16 o   22.831   2.9989   65.400   15.776   0.0000   0.0000   65.400   15.776  ?   ?    22.831   2.9989 0.000000 2.998910 
1 1 1    7   46   17 o   21.496   2.8767   57.900   14.236   0.0000   0.0000   57.900   14.236  ?   ?    21.496   2.8767 0.000000 2.876728 
1 1 1    7   46   18 o   10.614   2.8296   14.400   7.2212   0.0000   0.0000   14.400   7.2212  ?   ?    10.614   2.8296 0.000000 2.829619 
1 1 1    7   46   19 o   45.861   4.5245  281.900   48.359   0.0000   0.0000  281.900   48.359  ?   ?    45.861   4.5245 0.000000 4.524474 
1 1 1    7   46   20 o   22.526   2.8985   64.200   15.060   0.0000   0.0000   64.200   15.060  ?   ?    22.526   2.8985 0.000000 2.898540 
1 1 1    7   46   21 o  ?   ?  -16.4000   1.4789   0.0000   0.0000 -16.4000   1.4789  ?   ?   ?   ?  0.000000      ? 
1 1 1    7   46   22 o   23.765   3.0646   73.000   16.797   0.0000   0.0000   73.000   16.797  ?   ?    23.765   3.0646 0.000000 3.064588 
1 1 1    7   46   23 o   8.8557   2.6218   10.100   5.8699   0.0000   0.0000   10.100   5.8699  ?   ?    8.8557   2.6218 0.000000 2.621810 
1 1 1    7   46   24 o   3.3794   1.5821  -3.0000   3.1586   0.0000   0.0000  -3.0000   3.1586  ?   ?    3.3794   1.5821 0.000000 1.582079 
1 1 1    7   46   25 o   8.5051   2.9442   9.0000   7.2051   0.0000   0.0000   9.0000   7.2051  ?   ?    8.5051   2.9442 0.000000 2.944214 
1 1 1    7   46   26 o   10.257   3.0230   14.300   7.8190   0.0000   0.0000   14.300   7.8190  ?   ?    10.257   3.0230 0.000000 3.022988 
1 1 1    7   46   27 o   14.594   2.9256   28.900   9.7308   0.0000   0.0000   28.900   9.7308  ?   ?    14.594   2.9256 0.000000 2.925602 
1 1 1    7   46   28 o   11.302   3.1911   18.000   8.8898   0.0000   0.0000   18.000   8.8898  ?   ?    11.302   3.1911 0.000000 3.191089 
1 1 1    7   46   29 o   10.696   3.0233   15.900   7.9751   0.0000   0.0000   15.900   7.9751  ?   ?    10.696   3.0233 0.000000 3.023335 
1 1 1    7   46   30 o   20.261   3.2266   57.400   14.919   0.0000   0.0000   57.400   14.919  ?   ?    20.261   3.2266 0.000000 3.226563 
1 1 1    7   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   14 o   6.0791   2.5131   1.5000   5.8718   0.0000   0.0000   1.5000   5.8718  ?   ?    6.0791   2.5131 0.000000 2.513122 
1 1 1    7   47   15 o   17.742   2.8971   39.800   11.718   0.0000   0.0000   39.800   11.718  ?   ?    17.742   2.8971 0.000000 2.897099 
1 1 1    7   47   16 o   9.9735   2.9871   12.600   7.5868   0.0000   0.0000   12.600   7.5868  ?   ?    9.9735   2.9871 0.000000 2.987072 
1 1 1    7   47   17 o   6.7771   2.4547   4.8000   5.0565   0.0000   0.0000   4.8000   5.0565  ?   ?    6.7771   2.4547 0.000000 2.454743 
1 1 1    7   47   18 o   11.250   3.0611   16.500   8.3485   0.0000   0.0000   16.500   8.3485  ?   ?    11.250   3.0611 0.000000 3.061105 
1 1 1    7   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   47   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   48   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   49   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   50   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   51   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   52   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    7   53   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    1 o   46.502   4.1633  261.500   44.874  261.500   44.874  261.500   44.874   46.502   4.1633   46.502   4.1633 -0.000000 0.000000 
1 1 1    8    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0    3 o   77.230   4.1637  710.599   75.427  710.599   75.427  710.599   75.427   77.230   4.1637   77.230   4.1637 0.000000 0.000000 
1 1 1    8    0    4 o   43.582   2.5431  226.566   25.967  226.566   25.967  226.566   25.967   43.582   2.5431   43.582   2.5431 -0.000000 0.000000 
1 1 1    8    0    5 o  277.240   14.988  9198.50  974.680  9198.50  974.680  9198.50  974.680  277.240   14.988  277.240   14.988 -0.000000 0.000000 
1 1 1    8    0    6 o  366.820   28.497 16452.40  2434.09 16452.40  2434.09 16452.40  2434.09  366.820   28.497  366.820   28.497 -0.000000 0.000000 
1 1 1    8    0    7 o   70.220   3.9934  588.010   65.727  588.010   65.727  588.010   65.727   70.220   3.9934   70.220   3.9934 -0.000000 0.000000 
1 1 1    8    0    8 o   84.853   4.6204  858.064   91.952  858.064   91.952  858.064   91.952   84.853   4.6204   84.853   4.6204 -0.000000 0.000000 
1 1 1    8    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   10 o  157.092   8.5170  2944.65  313.818  2944.65  313.818  2944.65  313.818  157.092   8.5170  157.092   8.5170 -0.000000 0.000000 
1 1 1    8    0   11 o  253.371   19.549  7791.20  1153.59  7791.20  1153.59  7791.20  1153.59  253.371   19.549  253.371   19.549 -0.000000 0.000000 
1 1 1    8    0   12 o  255.995   19.770  7962.30  1178.70  7962.30  1178.70  7962.30  1178.70  255.995   19.770  255.995   19.770 0.000000 0.000000 
1 1 1    8    0   13 o  275.890   21.365  9281.30  1372.69  9281.30  1372.69  9281.30  1372.69  275.890   21.365  275.890   21.365 0.000000 0.000000 
1 1 1    8    0   14 o  231.815   17.936  6534.70  968.278  6534.70  968.278  6534.70  968.278  231.815   17.936  231.815   17.936 -0.000000 0.000000 
1 1 1    8    0   15 o  275.938   21.477  9328.90  1379.93  9328.90  1379.93  9328.90  1379.93  275.938   21.477  275.938   21.477 0.000000 0.000000 
1 1 1    8    0   16 o   37.450   3.5860  170.200   31.044  170.200   31.044  170.200   31.044   37.450   3.5860   37.450   3.5860 0.000000 0.000000 
1 1 1    8    0   17 o  390.241   31.494 19313.20  2858.73 19313.20  2858.73 19313.20  2858.73  390.241   31.494  390.241   31.494 0.000000 0.000000 
1 1 1    8    0   18 o   73.229   5.9974  647.200  102.106  647.200  102.106  647.200  102.106   73.229   5.9974   73.229   5.9974 0.000000 0.000000 
1 1 1    8    0   19 o   3.9881   2.1153   2.7000   2.6806   2.7000   2.6806   2.7000   2.6806   3.9881   2.1153   3.9881   2.1153 -0.000000 0.000000 
1 1 1    8    0   20 o  137.734   10.758  2299.50  344.994  2299.50  344.994  2299.50  344.994  137.734   10.758  137.734   10.758 -0.000000 0.000000 
1 1 1    8    0   21 o  102.398   8.0900  1267.40  192.807  1267.40  192.807  1267.40  192.807  102.398   8.0900  102.398   8.0900 -0.000000 0.000000 
1 1 1    8    0   22 o   9.2576   2.8353   12.600   5.4174   12.600   5.4174   12.600   5.4174   9.2576   2.8353   9.2576   2.8353 -0.000000 0.000000 
1 1 1    8    0   23 o   89.452   7.1435  966.900  148.677  966.900  148.677  966.900  148.677   89.452   7.1435   89.452   7.1435 -0.000000 0.000000 
1 1 1    8    0   24 o   19.760   2.7841   48.800   12.249   48.800   12.249   48.800   12.249   19.760   2.7841   19.760   2.7841 -0.000000 0.000000 
1 1 1    8    0   25 o  192.566   15.108  4556.90  677.265  4556.90  677.265  4556.90  677.265  192.566   15.108  192.566   15.108 -0.000000 0.000000 
1 1 1    8    0   26 o  135.922   10.662  2247.80  337.356  2247.80  337.356  2247.80  337.356  135.922   10.662  135.922   10.662 -0.000000 0.000000 
1 1 1    8    0   27 o   75.040   6.0983  680.900  106.418  680.900  106.418  680.900  106.418   75.040   6.0983   75.040   6.0983 -0.000000 0.000000 
1 1 1    8    0   28 o   30.292   3.1674  112.000   22.090  112.000   22.090  112.000   22.090   30.292   3.1674   30.292   3.1674 0.000000 0.000000 
1 1 1    8    0   29 o   52.656   4.5325  335.700   55.396  335.700   55.396  335.700   55.396   52.656   4.5325   52.656   4.5325 -0.000000 0.000000 
1 1 1    8    0   30 o   41.956   3.8629  213.700   37.524  213.700   37.524  213.700   37.524   41.956   3.8629   41.956   3.8629 -0.000000 0.000000 
1 1 1    8    0   31 o  180.305   14.626  4122.10  613.289  4122.10  613.289  4122.10  613.289  180.305   14.626  180.305   14.626 0.000000 0.000000 
1 1 1    8    0   32 o   12.768   2.8346   21.900   7.4700   21.900   7.4700   21.900   7.4700   12.768   2.8346   12.768   2.8346 0.000000 0.000000 
1 1 1    8    0   33 o   28.898   3.0985  102.300   20.530  102.300   20.530  102.300   20.530   28.898   3.0985   28.898   3.0985 -0.000000 0.000000 
1 1 1    8    0   34 o   62.018   5.2226  469.200   75.236  469.200   75.236  469.200   75.236   62.018   5.2226   62.018   5.2226 0.000000 0.000000 
1 1 1    8    0   35 o   14.287   2.6985   26.600   8.1562   26.600   8.1562   26.600   8.1562   14.287   2.6985   14.287   2.6985 -0.000000 0.000000 
1 1 1    8    0   36 o   50.531   4.4364  311.800   51.997  311.800   51.997  311.800   51.997   50.531   4.4364   50.531   4.4364 0.000000 0.000000 
1 1 1    8    0   37 o   39.800   3.7367  193.600   34.407  193.600   34.407  193.600   34.407   39.800   3.7367   39.800   3.7367 -0.000000 0.000000 
1 1 1    8    0   38 o   10.468   2.8778   15.600   6.1509   15.600   6.1509   15.600   6.1509   10.468   2.8778   10.468   2.8778 0.000000 0.000000 
1 1 1    8    0   39 o   6.2896   2.8327   6.8000   4.5074   6.8000   4.5074   6.8000   4.5074   6.2896   2.8327   6.2896   2.8327 0.000000 0.000000 
1 1 1    8    0   40 o   83.628   7.0563  885.900  137.063  885.900  137.063  885.900  137.063   83.628   7.0563   83.628   7.0563 0.000000 0.000000 
1 1 1    8    0   41 o   96.139   8.2778  1209.80  184.716  1209.80  184.716  1209.80  184.716   96.139   8.2778   96.139   8.2778 0.000000 0.000000 
1 1 1    8    0   42 o   5.7531   2.7604   5.8000   4.3255   5.8000   4.3255   5.8000   4.3255   5.7531   2.7604   5.7531   2.7604 0.000000 0.000000 
1 1 1    8    0   43 o   42.993   4.0746  230.300   40.513  230.300   40.513  230.300   40.513   42.993   4.0746   42.993   4.0746 0.000000 0.000000 
1 1 1    8    0   44 o   9.0913   3.4425   13.400   6.9336   13.400   6.9336   13.400   6.9336   9.0913   3.4425   9.0913   3.4425 0.000000 0.000000 
1 1 1    8    0   45 o   19.145   3.0228   47.100   12.647   47.100   12.647   47.100   12.647   19.145   3.0228   19.145   3.0228 0.000000 0.000000 
1 1 1    8    0   46 o   93.573   8.7170  1229.90  188.770  1229.90  188.770  1229.90  188.770   93.573   8.7170   93.573   8.7170 0.000000 0.000000 
1 1 1    8    0   47 o   44.225   4.1861  247.100   42.816  247.100   42.816  247.100   42.816   44.225   4.1861   44.225   4.1861 0.000000 0.000000 
1 1 1    8    0   48 o   31.426   3.4007  124.500   24.487  124.500   24.487  124.500   24.487   31.426   3.4007   31.426   3.4007 0.000000 0.000000 
1 1 1    8    0   49 o   3.3589   2.1878  -0.3000   4.2037  -0.3000   4.2037  -0.3000   4.2037   3.3589   2.1878   3.3589   2.1878 -0.000000 0.000000 
1 1 1    8    0   50 o   3.9723   2.3663   2.1000   3.8998   2.1000   3.8998   2.1000   3.8998   3.9723   2.3663   3.9723   2.3663 0.000000 0.000000 
1 1 1    8    0   51 o   8.1493   3.3173   11.300   6.2688   11.300   6.2688   11.300   6.2688   8.1493   3.3173   8.1493   3.3173 0.000000 0.000000 
1 1 1    8    0   52 f   4.1449   2.6170   1.1000   5.4561   1.1000   5.4561   1.1000   5.4561   4.1449   2.6170   4.1449   2.6170 0.000000 0.000000 
1 1 1    8    0   53 o   10.254   3.4528   16.700   7.4716   16.700   7.4716   16.700   7.4716   10.254   3.4528   10.254   3.4528 0.000000 0.000000 
1 1 1    8    0   54 o   8.9319   3.7327   14.300   7.8836   14.300   7.8836   14.300   7.8836   8.9319   3.7327   8.9319   3.7327 0.000000 0.000000 
1 1 1    8    0   55 o   4.5104   2.7237   2.9000   5.3095   2.9000   5.3095   2.9000   5.3095   4.5104   2.7237   4.5104   2.7237 0.000000 0.000000 
1 1 1    8    0   56 o   4.2944   2.7159   1.7000   5.9039   1.7000   5.9039   1.7000   5.9039   4.2944   2.7159   4.2944   2.7159 0.000000 0.000000 
1 1 1    8    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    0   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1    0 o   12.676   2.6622   21.300   7.0173   21.300   7.0173   21.300   7.0173   12.676   2.6622   12.676   2.6622 0.000000 0.000000 
1 1 1    8    1    1 o  292.264   22.433 10366.50  1536.39 10366.50  1536.39   0.0000   0.0000  292.264   22.433  ?   ?  0.000000 22.43310 
1 1 1    8    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1    3 o  154.937   8.3441  2851.14  304.153  2943.90  429.811  2758.10  430.465  157.009   11.676  151.879   12.103 5.129730 16.81734 
1 1 1    8    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1    6 o  285.129   14.396  9711.60  966.157  8681.90  1363.35 10750.40  1369.37  267.523   21.771  298.611   19.528 -31.08740 29.24529 
1 1 1    8    1    7 o  180.785   9.5901  3885.88  407.937  3832.90  576.807  3938.90  577.013  178.887   13.761  181.392   13.569 -2.505676 19.32569 
1 1 1    8    1    8 o  262.084   13.811  8205.08  851.718  8886.50  1204.67  7524.00  1204.36  271.434   18.913  249.135   20.658 22.29996 28.00841 
1 1 1    8    1    9 o  213.279   11.009  5416.68  552.555  5035.00  780.742  5799.70  782.120  204.557   16.299  219.897   15.155 -15.33984 22.25565 
1 1 1    8    1   10 o   99.687   5.4379  1178.57  127.523  1204.00  180.257  1153.10  180.434  100.543   7.6498   98.361   7.8334 2.182007 10.94905 
1 1 1    8    1   11 o  325.423   25.161 13006.10  1918.45 13006.10  1918.45   0.0000   0.0000  325.423   25.161  ?   ?  0.000000 25.16101 
1 1 1    8    1   12 o  524.416   43.755 36334.80  5368.86 36334.80  5368.86   0.0000   0.0000  524.416   43.755  ?   ?  0.000000 43.75498 
1 1 1    8    1   13 o  128.941   6.9301  1974.97  210.230  2005.00  297.231  1944.90  297.388  129.534   9.7897  127.541   9.9533 1.993057 13.96084 
1 1 1    8    1   14 o  293.577   22.842 10643.40  1571.07 10643.40  1571.07   0.0000   0.0000  293.577   22.842  ?   ?  0.000000 22.84245 
1 1 1    8    1   15 o  133.057   7.4276  2106.90  232.440  2410.60  328.478  1802.30  328.962  141.949   9.8609  122.315   11.525 19.63309 15.16810 
1 1 1    8    1   16 o  282.224   15.813  9667.16  1049.56 10494.20  1482.59  8836.30  1486.02  290.625   21.762  265.142   23.995 25.48285 32.39299 
1 1 1    8    1   17 o  106.369   5.7634  1344.81  144.222  1301.10  203.876  1388.60  204.047  104.235   8.3532  107.751   8.0783 -3.516754 11.62046 
1 1 1    8    1   18 o  291.570   23.360 10792.30  1594.82 10792.30  1594.82   0.0000   0.0000  291.570   23.360  ?   ?  0.000000 23.35975 
1 1 1    8    1   19 o   57.132   4.7258  389.200   63.183  389.200   63.183   0.0000   0.0000   57.132   4.7258  ?   ?  0.000000 4.725751 
1 1 1    8    1   20 o  165.374   12.785  3326.70  495.388  3326.70  495.388   0.0000   0.0000  165.374   12.785  ?   ?  0.000000 12.78505 
1 1 1    8    1   21 o  128.331   9.9239  1986.70  298.391  1986.70  298.391   0.0000   0.0000  128.331   9.9239  ?   ?  0.000000 9.923891 
1 1 1    8    1   22 o   78.399   6.2198  735.000  114.200  735.000  114.200   0.0000   0.0000   78.399   6.2198  ?   ?  0.000000 6.219808 
1 1 1    8    1   23 o  155.866   12.090  2960.00  441.495  2960.00  441.495   0.0000   0.0000  155.866   12.090  ?   ?  0.000000 12.08994 
1 1 1    8    1   24 o   77.318   6.1464  715.200  111.292  715.200  111.292   0.0000   0.0000   77.318   6.1464  ?   ?  0.000000 6.146399 
1 1 1    8    1   25 o  138.582   10.761  2333.70  349.396  2333.70  349.396   0.0000   0.0000  138.582   10.761  ?   ?  0.000000 10.76136 
1 1 1    8    1   26 o  111.240   8.6687  1493.70  225.909  1493.70  225.909   0.0000   0.0000  111.240   8.6687  ?   ?  0.000000 8.668694 
1 1 1    8    1   27 o  196.599   15.686  4868.30  722.141  4868.30  722.141   0.0000   0.0000  196.599   15.686  ?   ?  0.000000 15.68586 
1 1 1    8    1   28 o   69.177   5.5907  573.700   90.544  573.700   90.544   0.0000   0.0000   69.177   5.5907  ?   ?  0.000000 5.590672 
1 1 1    8    1   29 o  124.671   9.8168  1906.90  286.663  1906.90  286.663   0.0000   0.0000  124.671   9.8168  ?   ?  0.000000 9.816845 
1 1 1    8    1   30 o  172.169   14.066  3811.60  566.863  3811.60  566.863   0.0000   0.0000  172.169   14.066  ?   ?  0.000000 14.06599 
1 1 1    8    1   31 o  121.309   9.7092  1833.20  275.793  1833.20  275.793   0.0000   0.0000  121.309   9.7092  ?   ?  0.000000 9.709154 
1 1 1    8    1   32 f  111.045   8.9450  1539.10  232.564  1539.10  232.564   0.0000   0.0000  111.045   8.9450  ?   ?  0.000000 8.944970 
1 1 1    8    1   33 o   77.441   6.3000  734.100  114.205  734.100  114.205   0.0000   0.0000   77.441   6.3000  ?   ?  0.000000 6.299951 
1 1 1    8    1   34 o   45.701   4.0228  252.100   42.970  252.100   42.970   0.0000   0.0000   45.701   4.0228  ?   ?  0.000000 4.022811 
1 1 1    8    1   35 o   26.470   2.8713   84.400   17.659   84.400   17.659   0.0000   0.0000   26.470   2.8713  ?   ?  0.000000 2.871275 
1 1 1    8    1   36 o   55.514   4.7214  376.000   61.304  376.000   61.304   0.0000   0.0000   55.514   4.7214  ?   ?  0.000000 4.721367 
1 1 1    8    1   37 o   24.467   2.7790   72.300   15.771   72.300   15.771   0.0000   0.0000   24.467   2.7790  ?   ?  0.000000 2.779047 
1 1 1    8    1   38 o   30.362   3.0896  111.500   21.843  111.500   21.843   0.0000   0.0000   30.362   3.0896  ?   ?  0.000000 3.089633 
1 1 1    8    1   39 o   26.965   2.9268   88.100   18.337   88.100   18.337   0.0000   0.0000   26.965   2.9268  ?   ?  0.000000 2.926776 
1 1 1    8    1   40 o   53.813   4.6950  360.400   59.063  360.400   59.063   0.0000   0.0000   53.813   4.6950  ?   ?  0.000000 4.695027 
1 1 1    8    1   41 o   14.011   2.4551   24.200   7.8266   24.200   7.8266   0.0000   0.0000   14.011   2.4551  ?   ?  0.000000 2.455140 
1 1 1    8    1   42 o   8.0014   2.2271   7.9000   4.3626   7.9000   4.3626   0.0000   0.0000   8.0014   2.2271  ?   ?  0.000000 2.227134 
1 1 1    8    1   43 o   43.107   4.0141  233.700   40.390  233.700   40.390   0.0000   0.0000   43.107   4.0141  ?   ?  0.000000 4.014088 
1 1 1    8    1   44 o   17.573   2.5514   38.100   10.278   38.100   10.278   0.0000   0.0000   17.573   2.5514  ?   ?  0.000000 2.551395 
1 1 1    8    1   45 o   58.385   5.3497  453.200   72.935  453.200   72.935   0.0000   0.0000   58.385   5.3497  ?   ?  0.000000 5.349669 
1 1 1    8    1   46 o   57.159   5.2925  436.500   70.624  436.500   70.624   0.0000   0.0000   57.159   5.2925  ?   ?  0.000000 5.292502 
1 1 1    8    1   47 o   39.852   3.8626  203.400   35.892  203.400   35.892   0.0000   0.0000   39.852   3.8626  ?   ?  0.000000 3.862563 
1 1 1    8    1   48 o   1.9068   0.9355  -2.9000   1.4407  -2.9000   1.4407   0.0000   0.0000   1.9068   0.9355  ?   ?  0.000000 0.9354804 
1 1 1    8    1   49 o   15.044   2.6295   28.700   9.0009   28.700   9.0009   0.0000   0.0000   15.044   2.6295  ?   ?  0.000000 2.629514 
1 1 1    8    1   50 o   35.805   3.7087  169.500   30.902  169.500   30.902   0.0000   0.0000   35.805   3.7087  ?   ?  0.000000 3.708661 
1 1 1    8    1   51 o   17.802   2.6911   40.500   10.960   40.500   10.960   0.0000   0.0000   17.802   2.6911  ?   ?  0.000000 2.691110 
1 1 1    8    1   52 f   10.489   2.5169   14.300   6.1542   14.300   6.1542   0.0000   0.0000   10.489   2.5169  ?   ?  0.000000 2.516873 
1 1 1    8    1   53 o   12.611   2.6896   21.000   7.7651   21.000   7.7651   0.0000   0.0000   12.611   2.6896  ?   ?  0.000000 2.689567 
1 1 1    8    1   54 o   10.231   2.5555   14.100   6.1556   14.100   6.1556   0.0000   0.0000   10.231   2.5555  ?   ?  0.000000 2.555475 
1 1 1    8    1   55 o   6.7374   2.3369   5.7000   4.5403   5.7000   4.5403   0.0000   0.0000   6.7374   2.3369  ?   ?  0.000000 2.336896 
1 1 1    8    1   56 o   6.9937   2.3333   6.5000   4.5189   6.5000   4.5189   0.0000   0.0000   6.9937   2.3333  ?   ?  0.000000 2.333289 
1 1 1    8    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    1   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    4 o  299.051   15.888 10704.49  1117.91 11802.00  1580.97  9607.00  1580.96  312.306   21.570  280.764   24.079 31.54166 32.32754 
1 1 1    8    2    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2    6 o  305.755   16.370 11201.34  1177.61 11542.80  1664.69 10859.30  1666.09  308.218   23.039  298.611   23.827 9.607849 33.14374 
1 1 1    8    2    7 f   46.403   2.8109  255.250   30.654  266.000   43.351  244.500   43.351   47.286   3.9177   45.304   4.0966 1.982201 5.668428 
1 1 1    8    2    8 o  177.557   9.3227  3747.84  389.512  4140.30  550.963  3355.70  550.744  186.141   12.609  167.225   14.078 18.91655 18.89937 
1 1 1    8    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2   10 o  168.422   8.9497  3372.44  354.654  3333.20  501.463  3411.70  501.650  166.829   12.828  168.820   12.676 -1.991379 18.03443 
1 1 1    8    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2   12 o  337.148   26.236 14052.30  2072.28 14052.30  2072.28   0.0000   0.0000  337.148   26.236  ?   ?  0.000000 26.23613 
1 1 1    8    2   13 o  378.730   30.159 18084.30  2674.80 18084.30  2674.80   0.0000   0.0000  378.730   30.159  ?   ?  0.000000 30.15882 
1 1 1    8    2   14 o  217.946   11.700  5684.50  599.953  6136.00  848.318  5232.70  848.604  225.157   16.061  207.354   17.495 17.80341 23.74898 
1 1 1    8    2   15 o  181.596   9.9713  3939.58  425.946  4162.60  601.532  3715.30  603.228  185.705   13.816  175.123   14.724 10.58174 20.19122 
1 1 1    8    2   16 o   25.405   2.8144   77.200   16.600   77.200   16.600   0.0000   0.0000   25.405   2.8144  ?   ?  0.000000 2.814386 
1 1 1    8    2   17 o  235.925   12.608  6710.33  699.864  6898.10  990.211  6522.90  989.304  236.801   17.840  229.958   18.372 6.842621 25.60827 
1 1 1    8    2   18 o  108.883   5.8886  1410.09  150.841  1482.30  213.338  1337.90  213.303  111.275   8.1763  105.601   8.6294 5.674187 11.88775 
1 1 1    8    2   19 f  311.998   25.427 12588.80  1857.04 12588.80  1857.04   0.0000   0.0000  311.998   25.427  ?   ?  0.000000 25.42740 
1 1 1    8    2   20 o  115.561   6.2199  1590.49  169.104  1569.90  238.804  1611.20  239.495  114.288   8.9194  115.810   8.8240 -1.522728 12.54666 
1 1 1    8    2   21 o   75.787   6.0317  686.400  107.050  686.400  107.050   0.0000   0.0000   75.787   6.0317  ?   ?  0.000000 6.031726 
1 1 1    8    2   22 o   59.309   4.8784  419.800   67.716  419.800   67.716   0.0000   0.0000   59.309   4.8784  ?   ?  0.000000 4.878404 
1 1 1    8    2   23 o   63.454   5.1703  480.800   76.796  480.800   76.796   0.0000   0.0000   63.454   5.1703  ?   ?  0.000000 5.170279 
1 1 1    8    2   24 o  111.518   8.6693  1497.70  226.498  1497.70  226.498   0.0000   0.0000  111.518   8.6693  ?   ?  0.000000 8.669277 
1 1 1    8    2   25 o   59.181   4.8741  418.300   67.508  418.300   67.508   0.0000   0.0000   59.181   4.8741  ?   ?  0.000000 4.874083 
1 1 1    8    2   26 o  131.792   10.251  2110.10  316.506  2110.10  316.506   0.0000   0.0000  131.792   10.251  ?   ?  0.000000 10.25092 
1 1 1    8    2   27 o  149.723   11.722  2753.10  411.116  2753.10  411.116   0.0000   0.0000  149.723   11.722  ?   ?  0.000000 11.72181 
1 1 1    8    2   28 o  131.437   10.301  2114.10  317.150  2114.10  317.150   0.0000   0.0000  131.437   10.301  ?   ?  0.000000 10.30092 
1 1 1    8    2   29 o  111.183   8.7484  1507.20  227.829  1507.20  227.829   0.0000   0.0000  111.183   8.7484  ?   ?  0.000000 8.748426 
1 1 1    8    2   30 o  127.269   10.114  2006.80  301.443  2006.80  301.443   0.0000   0.0000  127.269   10.114  ?   ?  0.000000 10.11387 
1 1 1    8    2   31 o  210.626   18.766  6237.80  923.568  6237.80  923.568   0.0000   0.0000  210.626   18.766  ?   ?  0.000000 18.76586 
1 1 1    8    2   32 o   50.703   4.3401  309.400   51.462  309.400   51.462   0.0000   0.0000   50.703   4.3401  ?   ?  0.000000 4.340127 
1 1 1    8    2   33 o   28.938   2.9925  100.600   20.153  100.600   20.153   0.0000   0.0000   28.938   2.9925  ?   ?  0.000000 2.992526 
1 1 1    8    2   34 o   40.880   3.7053  201.400   35.379  201.400   35.379   0.0000   0.0000   40.880   3.7053  ?   ?  0.000000 3.705252 
1 1 1    8    2   35 o   53.025   4.5296  341.500   56.172  341.500   56.172   0.0000   0.0000   53.025   4.5296  ?   ?  0.000000 4.529616 
1 1 1    8    2   36 o   19.755   2.5668   47.200   11.691   47.200   11.691   0.0000   0.0000   19.755   2.5668  ?   ?  0.000000 2.566760 
1 1 1    8    2   37 o   21.383   2.6479   55.300   13.084   55.300   13.084   0.0000   0.0000   21.383   2.6479  ?   ?  0.000000 2.647935 
1 1 1    8    2   38 o   34.168   3.3216  141.400   26.461  141.400   26.461   0.0000   0.0000   34.168   3.3216  ?   ?  0.000000 3.321599 
1 1 1    8    2   39 o  ?   ?   -2.8000   0.6892  -2.8000   0.6892   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    2   40 o   37.646   3.5553  173.300   31.230  173.300   31.230   0.0000   0.0000   37.646   3.5553  ?   ?  0.000000 3.555255 
1 1 1    8    2   41 o   38.341   3.6222  181.000   32.406  181.000   32.406   0.0000   0.0000   38.341   3.6222  ?   ?  0.000000 3.622231 
1 1 1    8    2   42 o   37.019   3.5595  169.500   30.732  169.500   30.732   0.0000   0.0000   37.019   3.5595  ?   ?  0.000000 3.559545 
1 1 1    8    2   43 o   16.915   2.5664   35.300   9.9287   35.300   9.9287   0.0000   0.0000   16.915   2.5664  ?   ?  0.000000 2.566378 
1 1 1    8    2   44 o   32.953   3.3199  134.900   25.482  134.900   25.482   0.0000   0.0000   32.953   3.3199  ?   ?  0.000000 3.319893 
1 1 1    8    2   45 o   34.823   3.4569  151.600   28.051  151.600   28.051   0.0000   0.0000   34.823   3.4569  ?   ?  0.000000 3.456918 
1 1 1    8    2   46 o   19.715   2.6531   48.100   12.038   48.100   12.038   0.0000   0.0000   19.715   2.6531  ?   ?  0.000000 2.653110 
1 1 1    8    2   47 o   12.585   2.4612   19.900   7.0520   19.900   7.0520   0.0000   0.0000   12.585   2.4612  ?   ?  0.000000 2.461158 
1 1 1    8    2   48 o   67.544   6.9573  699.400  109.378  699.400  109.378   0.0000   0.0000   67.544   6.9573  ?   ?  0.000000 6.957314 
1 1 1    8    2   49 o   24.241   2.9592   74.500   16.588   74.500   16.588   0.0000   0.0000   24.241   2.9592  ?   ?  0.000000 2.959193 
1 1 1    8    2   50 o   13.676   2.5570   23.900   7.9540   23.900   7.9540   0.0000   0.0000   13.676   2.5570  ?   ?  0.000000 2.557043 
1 1 1    8    2   51 o   21.898   2.8709   61.500   14.487   61.500   14.487   0.0000   0.0000   21.898   2.8709  ?   ?  0.000000 2.870851 
1 1 1    8    2   52 o   21.080   2.8207   57.300   13.688   57.300   13.688   0.0000   0.0000   21.080   2.8207  ?   ?  0.000000 2.820673 
1 1 1    8    2   53 o   23.330   2.9877   71.800   16.081   71.800   16.081   0.0000   0.0000   23.330   2.9877  ?   ?  0.000000 2.987682 
1 1 1    8    2   54 o   11.274   2.5668   17.100   6.6802   17.100   6.6802   0.0000   0.0000   11.274   2.5668  ?   ?  0.000000 2.566823 
1 1 1    8    2   55 o   17.942   2.8898   45.200   11.828   45.200   11.828   0.0000   0.0000   17.942   2.8898  ?   ?  0.000000 2.889773 
1 1 1    8    2   56 o   13.170   2.6944   24.700   8.0970   24.700   8.0970   0.0000   0.0000   13.170   2.6944  ?   ?  0.000000 2.694384 
1 1 1    8    2   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    2   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    0 o  101.530   7.9892  1241.20  188.812  1241.20  188.812  1241.20  188.812  101.530   7.9892  101.530   7.9892 0.000000 0.000000 
1 1 1    8    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    3 o  276.374   21.166  9244.70  1370.83   0.0000   0.0000  9244.70  1370.83  ?   ?   276.374   21.166 0.000000 21.16606 
1 1 1    8    3    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    6 o  154.229   8.1566  2824.71  295.998  2695.40  418.463  2954.20  418.745  150.150   11.900  157.320   11.348 -7.170013 16.44353 
1 1 1    8    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3    8 o  101.686   5.4727  1226.11  130.925  1317.70  185.193  1134.60  185.118  105.236   7.5015   97.541   8.1106 7.695107 11.04784 
1 1 1    8    3    9 o  228.016   12.037  6199.90  645.819  6089.40  912.710  6310.70  913.944  224.781   17.329  228.931   17.028 -4.150497 24.29527 
1 1 1    8    3   10 o  269.210   14.754  8680.30  934.327  9188.90  1319.52  8168.90  1323.16  275.242   20.448  258.941   21.844 16.30118 29.92098 
1 1 1    8    3   11 o  285.608   15.074  9780.59  1013.03  9620.50  1429.70  9942.00  1435.59  280.964   21.718  285.761   21.431 -4.796844 30.51149 
1 1 1    8    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3   13 o  207.183   11.258  5128.25  548.704  5322.20  774.794  4933.10  777.182  209.919   15.745  201.849   16.449 8.069916 22.76984 
1 1 1    8    3   14 o  369.762   29.558 17365.20  2559.29 17365.20  2559.29   0.0000   0.0000  369.762   29.558  ?   ?  0.000000 29.55831 
1 1 1    8    3   15 o  366.214   29.518 17173.10  2530.96 17173.10  2530.96   0.0000   0.0000  366.214   29.518  ?   ?  0.000000 29.51830 
1 1 1    8    3   16 o   72.985   5.8185  635.100   99.444  635.100   99.444   0.0000   0.0000   72.985   5.8185  ?   ?  0.000000 5.818491 
1 1 1    8    3   17 o  372.281   30.991 18295.30  2699.64 18295.30  2699.64   0.0000   0.0000  372.281   30.991  ?   ?  0.000000 30.99110 
1 1 1    8    3   18 o   72.458   4.1702  623.333   71.051  678.600  100.361  567.800  100.602   75.443   5.6751   68.893   6.2522 6.550194 8.443737 
1 1 1    8    3   19 o   96.626   5.3119  1110.05  120.737  1126.80  170.475  1093.20  171.022   97.025   7.4990   95.533   7.6452 1.491913 10.70906 
1 1 1    8    3   20 f   63.212   3.6026  474.238   53.551  471.800   75.546  476.700   75.921   62.880   5.1327   63.208   5.1309 -0.3278275 7.257488 
1 1 1    8    3   21 o  136.558   7.6223  2229.45  244.809  2431.90  345.791  2026.00  346.635  141.906   10.392  129.127   11.488 12.77943 15.49079 
1 1 1    8    3   22 o  144.296   7.6086  2489.71  258.337  2397.40  364.578  2582.80  366.113  140.602   11.070  146.096   10.687 -5.494370 15.38694 
1 1 1    8    3   23 o  102.550   5.4759  1251.91  132.123  1197.60  186.519  1306.60  187.182   99.832   7.9788  104.375   7.6479 -4.542816 11.05219 
1 1 1    8    3   24 o  115.783   6.3004  1599.34  171.607  1614.70  242.357  1583.90  243.023  115.740   8.9369  114.593   9.0548 1.146248 12.72235 
1 1 1    8    3   25 o  109.038   5.9662  1418.16  153.033  1442.70  216.151  1393.50  216.692  109.432   8.4296  107.492   8.6092 1.939331 12.04895 
1 1 1    8    3   26 o   54.927   3.2372  358.270   41.801  372.200   59.073  344.300   59.159   55.839   4.5188   53.665   4.7163 2.174660 6.531711 
1 1 1    8    3   27 o   90.254   4.9272  970.540  104.613  948.200  147.748  993.000  148.143   88.772   7.1079   90.893   6.9550 -2.121101 9.944546 
1 1 1    8    3   28 o  122.936   9.6309  1843.50  277.344  1843.50  277.344   0.0000   0.0000  122.936   9.6309  ?   ?  0.000000 9.630866 
1 1 1    8    3   29 o   80.167   6.3978  774.600  120.104  774.600  120.104   0.0000   0.0000   80.167   6.3978  ?   ?  0.000000 6.397767 
1 1 1    8    3   30 o   90.272   7.1741  989.400  151.664  989.400  151.664   0.0000   0.0000   90.272   7.1741  ?   ?  0.000000 7.174073 
1 1 1    8    3   31 o   81.211   6.5250  801.300  124.073  801.300  124.073   0.0000   0.0000   81.211   6.5250  ?   ?  0.000000 6.525003 
1 1 1    8    3   32 o   87.098   7.0240  930.200  143.235  930.200  143.235   0.0000   0.0000   87.098   7.0240  ?   ?  0.000000 7.024035 
1 1 1    8    3   33 o   86.419   7.0137  921.100  141.891  921.100  141.891   0.0000   0.0000   86.419   7.0137  ?   ?  0.000000 7.013690 
1 1 1    8    3   34 o   84.614   6.9134  888.400  136.926  888.400  136.926   0.0000   0.0000   84.614   6.9134  ?   ?  0.000000 6.913386 
1 1 1    8    3   35 o   17.588   2.5150   37.500   10.148   37.500   10.148   0.0000   0.0000   17.588   2.5150  ?   ?  0.000000 2.515033 
1 1 1    8    3   36 o   44.021   3.9296  234.800   40.419  234.800   40.419   0.0000   0.0000   44.021   3.9296  ?   ?  0.000000 3.929647 
1 1 1    8    3   37 o   37.477   3.5190  170.000   30.777  170.000   30.777   0.0000   0.0000   37.477   3.5190  ?   ?  0.000000 3.518993 
1 1 1    8    3   38 o   65.073   5.4931  526.300   83.618  526.300   83.618   0.0000   0.0000   65.073   5.4931  ?   ?  0.000000 5.493066 
1 1 1    8    3   39 o   6.0342   2.0043   4.1000   3.3359   4.1000   3.3359   0.0000   0.0000   6.0342   2.0043  ?   ?  0.000000 2.004345 
1 1 1    8    3   40 o   41.900   3.8404  215.600   37.575  215.600   37.575   0.0000   0.0000   41.900   3.8404  ?   ?  0.000000 3.840441 
1 1 1    8    3   41 o   62.649   5.4880  503.700   80.370  503.700   80.370   0.0000   0.0000   62.649   5.4880  ?   ?  0.000000 5.488030 
1 1 1    8    3   42 o   52.672   4.7222  352.600   58.109  352.600   58.109   0.0000   0.0000   52.672   4.7222  ?   ?  0.000000 4.722184 
1 1 1    8    3   43 f   46.950   4.2997  279.400   47.139  279.400   47.139   0.0000   0.0000   46.950   4.2997  ?   ?  0.000000 4.299660 
1 1 1    8    3   44 o   39.967   3.7926  200.700   35.365  200.700   35.365   0.0000   0.0000   39.967   3.7926  ?   ?  0.000000 3.792564 
1 1 1    8    3   45 o   15.214   2.4803   28.700   8.6035   28.700   8.6035   0.0000   0.0000   15.214   2.4803  ?   ?  0.000000 2.480278 
1 1 1    8    3   46 o   20.660   2.6819   52.800   12.775   52.800   12.775   0.0000   0.0000   20.660   2.6819  ?   ?  0.000000 2.681903 
1 1 1    8    3   47 o   42.250   4.0427  230.400   39.840  230.400   39.840   0.0000   0.0000   42.250   4.0427  ?   ?  0.000000 4.042692 
1 1 1    8    3   48 o   29.311   3.1634  108.700   21.548  108.700   21.548   0.0000   0.0000   29.311   3.1634  ?   ?  0.000000 3.163351 
1 1 1    8    3   49 o   46.931   4.6001  300.700   50.323  300.700   50.323   0.0000   0.0000   46.931   4.6001  ?   ?  0.000000 4.600135 
1 1 1    8    3   50 o   23.535   2.8899   70.700   15.723   70.700   15.723   0.0000   0.0000   23.535   2.8899  ?   ?  0.000000 2.889878 
1 1 1    8    3   51 o   3.6350   1.6533  -1.8000   3.1076  -1.8000   3.1076   0.0000   0.0000   3.6350   1.6533  ?   ?  0.000000 1.653327 
1 1 1    8    3   52 o   21.241   2.8804   58.400   14.075   58.400   14.075   0.0000   0.0000   21.241   2.8804  ?   ?  0.000000 2.880421 
1 1 1    8    3   53 o   32.976   3.6538  149.800   27.973  149.800   27.973   0.0000   0.0000   32.976   3.6538  ?   ?  0.000000 3.653791 
1 1 1    8    3   54 o   14.164   2.7188   27.100   8.7628   27.100   8.7628   0.0000   0.0000   14.164   2.7188  ?   ?  0.000000 2.718755 
1 1 1    8    3   55 o   11.977   2.7405   20.200   7.5825   20.200   7.5825   0.0000   0.0000   11.977   2.7405  ?   ?  0.000000 2.740468 
1 1 1    8    3   56 f   2.2754   1.0932  -2.4000   1.7115  -2.4000   1.7115   0.0000   0.0000   2.2754   1.0932  ?   ?  0.000000 1.093231 
1 1 1    8    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    3   58 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    4    0 o  253.058   19.458  7754.70  1146.92  7754.70  1146.92  7754.70  1146.92  253.058   19.458  253.058   19.458 -0.000000 0.000000 
1 1 1    8    4    1 o  174.299   9.1737  3609.94  376.246  3361.50  531.923  3858.70  532.261  167.528   13.563  179.727   12.622 -12.19844 18.52688 
1 1 1    8    4    2 o  267.873   14.133  8569.06  890.796  8123.20  1259.30  9015.60  1260.25  259.090   20.758  273.366   19.654 -14.27640 28.58626 
1 1 1    8    4    3 o   66.768   3.7748  528.350   59.270  526.100   83.825  530.600   83.817   66.493   5.3849   66.781   5.3604 -0.2880478 7.598087 
1 1 1    8    4    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    4    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    4    6 o  172.328   9.1595  3529.63  371.388  3506.30  524.981  3553.00  525.464  171.166   13.088  172.323   13.009 -1.157135 18.45344 
1 1 1    8    4    7 o  370.874   28.895 16970.40  2510.57   0.0000   0.0000 16970.40  2510.57  ?   ?   370.874   28.895 0.000000 28.89519 
1 1 1    8    4    8 o  136.069   7.2556  2197.81  232.286  2160.40  328.317  2235.30  328.687  134.517   10.417  136.867   10.244 -2.350189 14.61046 
1 1 1    8    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    4   10 o  259.254   19.832  8148.40  1204.88  8148.40  1204.88   0.0000   0.0000  259.254   19.832  ?   ?  0.000000 19.83182 
1 1 1    8    4   11 o  237.021   12.636  6712.93  704.684  7309.10  996.510  6116.60  996.638  246.115   17.256  224.521   18.976 21.59439 25.64861 
1 1 1    8    4   12 o  241.050   12.903  6953.30  731.764  7093.80  1034.30  6812.50  1035.44  241.885   18.242  236.870   18.663 5.015533 26.09791 
1 1 1    8    4   13 o  129.908   7.0227  2005.57  214.629  2127.10  303.448  1883.90  303.616  133.416   9.6983  125.406   10.345 8.009422 14.18023 
1 1 1    8    4   14 o  237.781   12.698  6783.72  710.395  6774.50  1002.95  6793.00  1006.36  235.675   18.162  235.982   18.200 -0.3073425 25.71208 
1 1 1    8    4   15 o  257.266   19.986  8150.50  1204.62  8150.50  1204.62   0.0000   0.0000  257.266   19.986  ?   ?  0.000000 19.98609 
1 1 1    8    4   16 o  237.462   18.458  6937.40  1026.86  6937.40  1026.86   0.0000   0.0000  237.462   18.458  ?   ?  0.000000 18.45779 
1 1 1    8    4   17 o  137.071   7.3904  2239.34  238.326  2249.40  336.365  2229.20  337.726  136.733   10.498  136.091   10.593 0.6418304 14.91349 
1 1 1    8    4   18 o  126.645   6.5699  1909.60  195.802  1798.40  276.040  2022.20  277.779  122.299   9.6365  129.847   9.1173 -7.547981 13.26607 
1 1 1    8    4   19 o  186.205   10.263  4167.24  449.526  4373.40  634.664  3959.70  636.792  189.224   14.310  179.637   15.154 9.587097 20.84214 
1 1 1    8    4   20 o   65.290   3.7336  506.027   57.323  513.700   80.927  498.300   81.207   65.610   5.2679   64.599   5.3723 1.011078 7.524129 
1 1 1    8    4   21 o  239.784   13.357  7009.64  753.282  7364.00  1063.67  6653.10  1066.94  242.158   18.747  229.246   19.907 12.91208 27.34523 
1 1 1    8    4   22 o  145.487   8.0601  2534.84  275.821  2688.30  389.448  2380.40  390.695  148.896   11.158  139.788   11.951 9.107956 16.34980 
1 1 1    8    4   23 o   95.806   5.0810  1091.83  114.538  1028.20  161.582  1156.10  162.384   92.562   7.4558   98.265   7.0449 -5.703232 10.25768 
1 1 1    8    4   24 o   61.664   3.5506  451.515   51.482  456.500   72.695  446.500   72.920   61.830   5.0224   61.134   5.0977 0.6955910 7.156226 
1 1 1    8    4   25 o  189.812   10.485  4363.92  468.150  4575.90  661.254  4150.90  662.876  192.092   14.689  182.390   15.539 9.702698 21.38326 
1 1 1    8    4   26 o  121.564   6.5895  1766.89  188.449  1764.40  266.207  1769.40  266.808  120.701   9.4145  120.870   9.4224 -0.1691818 13.31971 
1 1 1    8    4   27 o   53.929   3.1169  345.387   39.524  325.900   55.805  365.000   55.985   52.200   4.5734   55.301   4.3216 -3.100536 6.292218 
1 1 1    8    4   28 o   22.388   1.8375   59.639   9.6287   63.900   13.634   55.400   13.600   23.103   2.5413   21.463   2.7463 1.639477 3.741712 
1 1 1    8    4   29 o  159.944   8.5282  3109.55  320.934  2940.10  453.073  3280.20  454.670  152.911   12.662  162.080   11.964 -9.168961 17.42016 
1 1 1    8    4   30 o  104.654   5.9147  1317.36  145.568  1476.60  205.696  1157.60  206.033  110.012   7.9722   96.851   9.1161 13.16134 12.11033 
1 1 1    8    4   31 o   58.453   3.3580  407.243   46.155  385.600   65.187  429.000   65.360   56.562   4.9299   59.743   4.6702 -3.180370 6.790762 
1 1 1    8    4   32 o   78.065   4.4208  731.254   81.157  711.000  114.926  751.400  114.622   76.291   6.4397   78.524   6.2329 -2.232979 8.962075 
1 1 1    8    4   33 o   54.290   4.6031  356.300   58.456  356.300   58.456   0.0000   0.0000   54.290   4.6031  ?   ?  0.000000 4.603122 
1 1 1    8    4   34 o  110.572   9.1653  1568.20  237.149  1568.20  237.149   0.0000   0.0000  110.572   9.1653  ?   ?  0.000000 9.165343 
1 1 1    8    4   35 o   49.717   4.3059  299.800   50.052  299.800   50.052   0.0000   0.0000   49.717   4.3059  ?   ?  0.000000 4.305907 
1 1 1    8    4   36 o  107.925   9.1225  1522.20  230.309  1522.20  230.309   0.0000   0.0000  107.925   9.1225  ?   ?  0.000000 9.122508 
1 1 1    8    4   37 o   29.047   3.0218  101.900   20.424  101.900   20.424   0.0000   0.0000   29.047   3.0218  ?   ?  0.000000 3.021817 
1 1 1    8    4   38 o   71.053   5.9732  632.900   99.289  632.900   99.289   0.0000   0.0000   71.053   5.9732  ?   ?  0.000000 5.973175 
1 1 1    8    4   39 o   31.300   3.1624  118.900   23.053  118.900   23.053   0.0000   0.0000   31.300   3.1624  ?   ?  0.000000 3.162399 
1 1 1    8    4   40 o   67.568   5.8150  583.000   91.875  583.000   91.875   0.0000   0.0000   67.568   5.8150  ?   ?  0.000000 5.814979 
1 1 1    8    4   41 o   47.484   4.2724  281.400   47.392  281.400   47.392   0.0000   0.0000   47.484   4.2724  ?   ?  0.000000 4.272416 
1 1 1    8    4   42 o   37.406   3.5813  173.300   31.246  173.300   31.246   0.0000   0.0000   37.406   3.5813  ?   ?  0.000000 3.581266 
1 1 1    8    4   43 o   27.315   2.9849   91.900   18.940   91.900   18.940   0.0000   0.0000   27.315   2.9849  ?   ?  0.000000 2.984900 
1 1 1    8    4   44 o   21.167   2.6958   55.200   13.168   55.200   13.168   0.0000   0.0000   21.167   2.6958  ?   ?  0.000000 2.695813 
1 1 1    8    4   45 o   37.006   3.5943  171.800   31.012  171.800   31.012   0.0000   0.0000   37.006   3.5943  ?   ?  0.000000 3.594279 
1 1 1    8    4   46 o   33.803   3.3942  143.100   26.727  143.100   26.727   0.0000   0.0000   33.803   3.3942  ?   ?  0.000000 3.394162 
1 1 1    8    4   47 o   8.7820   2.3414   9.7000   4.9442   9.7000   4.9442   0.0000   0.0000   8.7820   2.3414  ?   ?  0.000000 2.341417 
1 1 1    8    4   48 o   36.967   3.6944  176.400   31.817  176.400   31.817   0.0000   0.0000   36.967   3.6944  ?   ?  0.000000 3.694411 
1 1 1    8    4   49 o   8.2066   2.2967   8.5000   4.6261   8.5000   4.6261   0.0000   0.0000   8.2066   2.2967  ?   ?  0.000000 2.296670 
1 1 1    8    4   50 o   9.1354   2.4366   10.700   5.3530   10.700   5.3530   0.0000   0.0000   9.1354   2.4366  ?   ?  0.000000 2.436599 
1 1 1    8    4   51 o   41.767   4.2479  240.000   41.312  240.000   41.312   0.0000   0.0000   41.767   4.2479  ?   ?  0.000000 4.247859 
1 1 1    8    4   52 o   17.165   2.6548   37.900   10.413   37.900   10.413   0.0000   0.0000   17.165   2.6548  ?   ?  0.000000 2.654803 
1 1 1    8    4   53 o   16.503   2.7989   35.900   10.518   35.900   10.518   0.0000   0.0000   16.503   2.7989  ?   ?  0.000000 2.798907 
1 1 1    8    4   54 o  ?   ?   -5.0000   1.1168  -5.0000   1.1168   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8    4   55 o   16.929   2.7889   40.000   10.761   40.000   10.761   0.0000   0.0000   16.929   2.7889  ?   ?  0.000000 2.788880 
1 1 1    8    4   56 o   11.339   2.8037   18.800   7.4647   18.800   7.4647   0.0000   0.0000   11.339   2.8037  ?   ?  0.000000 2.803711 
1 1 1    8    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    5    0 o  329.155   25.424 13195.80  1949.00 13195.80  1949.00 13195.80  1949.00  329.155   25.424  329.155   25.424 0.000000 0.000000 
1 1 1    8    5    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    5    2 o  268.123   13.750  8580.53  867.640  7875.40  1224.42  9291.70  1229.65  255.139   20.496  277.751   18.860 -22.61198 27.85315 
1 1 1    8    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    5    4 f  210.973   11.202  5299.50  556.046  5923.10  786.365  4675.90  786.371  222.349   15.066  197.006   17.073 25.34358 22.76970 
1 1 1    8    5    5 o  155.495   8.3148  2871.89  304.196  3047.90  430.144  2695.80  430.252  159.783   11.477  150.100   12.246 9.682861 16.78318 
1 1 1    8    5    6 o  280.691   14.974  9426.11  988.886  9654.30  1398.02  9197.60  1398.97  282.267   21.128  275.281   21.697 6.985748 30.28451 
1 1 1    8    5    7 o  371.260   28.946 17020.00  2517.56 17020.00  2517.56   0.0000   0.0000  371.260   28.946  ?   ?  0.000000 28.94577 
1 1 1    8    5    8 f  280.850   15.342  9449.64  1013.64 10065.00  1431.67  8831.10  1435.35  288.021   21.199  269.121   22.801 18.90015 31.13339 
1 1 1    8    5    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    5   10 o  105.998   5.6357  1332.66  140.554  1252.90  198.595  1412.70  198.951  102.487   8.2767  108.926   7.7862 -6.438766 11.36348 
1 1 1    8    5   11 o  148.458   7.8736  2619.25  275.032  2528.40  388.743  2710.30  389.165  145.326   11.420  150.562   11.023 -5.236176 15.87185 
1 1 1    8    5   12 o  261.698   13.998  8216.41  861.873  8569.80  1218.69  7862.80  1219.06  265.296   19.592  253.684   20.526 11.61227 28.37563 
1 1 1    8    5   13 o  245.818   13.110  7249.08  758.221  7225.50  1071.85  7272.70  1072.72  243.407   18.794  244.227   18.744 -0.8195953 26.54311 
1 1 1    8    5   14 o   69.855   4.0324  578.876   66.232  632.300   93.557  525.200   93.777   72.881   5.4763   66.316   6.0553 6.564964 8.164302 
1 1 1    8    5   15 o  111.853   6.1493  1487.07  161.796  1563.30  228.559  1410.50  229.069  114.350   8.5257  108.502   9.0224 5.848534 12.41340 
1 1 1    8    5   16 o   99.918   7.7745  1193.70  181.990  1193.70  181.990   0.0000   0.0000   99.918   7.7745  ?   ?  0.000000 7.774512 
1 1 1    8    5   17 o  195.500   10.576  4588.39  486.440  4662.60  686.612  4513.60  689.254  195.474   14.989  192.171   15.316 3.302780 21.43047 
1 1 1    8    5   18 o  253.707   14.051  7824.60  838.489  8331.80  1184.47  7315.10  1187.14  258.417   19.555  241.020   21.070 17.39694 28.74681 
1 1 1    8    5   19 o  126.394   6.9600  1905.14  206.930  2028.50  292.304  1781.20  292.984  129.866   9.5999  121.473   10.312 8.393723 14.08854 
1 1 1    8    5   20 o  130.591   7.1849  2035.97  220.710  2125.30  311.569  1946.00  312.696  132.758   10.012  126.859   10.534 5.898804 14.53309 
1 1 1    8    5   21 o  118.707   6.4271  1680.09  179.486  1678.20  253.214  1682.00  254.455  118.053   9.1550  118.179   9.1904 -0.1257858 12.97218 
1 1 1    8    5   22 o  116.442   6.4333  1617.30  176.204  1711.30  248.857  1522.80  249.526  119.247   8.9019  112.300   9.4988 6.947174 13.01807 
1 1 1    8    5   23 o  235.036   13.078  6745.48  722.971  7128.80  1021.13  6360.20  1023.74  237.938   18.315  223.695   19.578 14.24310 26.80923 
1 1 1    8    5   24 o  143.565   7.8563  2469.77  265.326  2589.20  374.799  2349.80  375.658  146.012   10.950  138.838   11.564 7.173950 15.92553 
1 1 1    8    5   25 o  188.386   10.317  4297.28  457.225  4424.40  645.773  4169.50  647.457  188.845   14.595  182.974   15.121 5.871002 21.01516 
1 1 1    8    5   26 o  225.956   12.220  6251.71  649.579  6121.00  917.117  6383.30  920.179  219.194   17.874  224.181   17.522 -4.987274 25.03015 
1 1 1    8    5   27 o   48.866   2.9239  283.581   33.584  270.600   47.460  296.600   47.530   47.570   4.2705   49.847   4.0736 -2.277210 5.901818 
1 1 1    8    5   28 o   74.309   4.0922  657.328   71.529  623.700  100.975  691.200  101.341   72.038   5.9903   75.922   5.6942 -3.884308 8.264815 
1 1 1    8    5   29 o  119.593   6.5995  1721.68  185.648  1788.60  262.285  1654.50  262.809  120.797   9.2657  115.957   9.6867 4.839294 13.40467 
1 1 1    8    5   30 o   70.088   4.0239  586.234   66.318  616.300   93.659  556.000   93.919   71.523   5.5899   67.827   5.9233 3.695831 8.144539 
1 1 1    8    5   31 o   74.040   4.2020  655.843   73.163  673.600  103.342  638.000  103.595   74.565   5.9178   72.495   6.1085 2.070030 8.504945 
1 1 1    8    5   32 o   61.604   3.5592  453.490   51.555  445.700   72.865  461.300   72.954   60.681   5.1333   61.766   5.0460 -1.084991 7.198077 
1 1 1    8    5   33 o   31.262   2.1838  116.404   16.020  118.700   22.637  114.100   22.675   31.436   3.0893   30.803   3.1622 0.6338081 4.420829 
1 1 1    8    5   34 o   89.477   5.1130  972.549  107.583  1048.50  151.997  896.300  152.295   91.768   7.0687   84.385   7.7287 7.382668 10.47375 
1 1 1    8    5   35 o   52.898   3.1848  335.247   39.596  389.200   55.973  281.200   56.022   56.715   4.2094   47.898   5.0281 8.817039 6.557490 
1 1 1    8    5   36 o   11.633   1.3382   16.225   3.6093   30.100   5.2623   3.9000   4.9596   15.884   1.4179   6.5239   2.4198 9.360441 2.804633 
1 1 1    8    5   37 o   58.940   4.9959  426.900   68.878  426.900   68.878   0.0000   0.0000   58.940   4.9959  ?   ?  0.000000 4.995916 
1 1 1    8    5   38 o   31.897   3.1801  123.200   23.634  123.200   23.634   0.0000   0.0000   31.897   3.1801  ?   ?  0.000000 3.180142 
1 1 1    8    5   39 o   30.011   3.0827  109.300   21.536  109.300   21.536   0.0000   0.0000   30.011   3.0827  ?   ?  0.000000 3.082715 
1 1 1    8    5   40 o   26.796   2.9287   87.400   18.229   87.400   18.229   0.0000   0.0000   26.796   2.9287  ?   ?  0.000000 2.928722 
1 1 1    8    5   41 o   53.764   4.7552  365.200   59.747  365.200   59.747   0.0000   0.0000   53.764   4.7552  ?   ?  0.000000 4.755156 
1 1 1    8    5   42 o   6.8935   2.1147   5.7000   3.7706   5.7000   3.7706   0.0000   0.0000   6.8935   2.1147  ?   ?  0.000000 2.114723 
1 1 1    8    5   43 o   59.689   5.3822  467.800   75.044  467.800   75.044   0.0000   0.0000   59.689   5.3822  ?   ?  0.000000 5.382206 
1 1 1    8    5   44 f   50.021   4.5655  321.700   53.333  321.700   53.333   0.0000   0.0000   50.021   4.5655  ?   ?  0.000000 4.565523 
1 1 1    8    5   45 o   58.401   5.3428  453.400   72.864  453.400   72.864   0.0000   0.0000   58.401   5.3428  ?   ?  0.000000 5.342818 
1 1 1    8    5   46 o   36.114   3.5672  164.200   30.023  164.200   30.023   0.0000   0.0000   36.114   3.5672  ?   ?  0.000000 3.567151 
1 1 1    8    5   47 o   6.0536   2.0669   4.1000   3.5468   4.1000   3.5468   0.0000   0.0000   6.0536   2.0669  ?   ?  0.000000 2.066933 
1 1 1    8    5   48 f   19.985   2.7069   50.100   12.446   50.100   12.446   0.0000   0.0000   19.985   2.7069  ?   ?  0.000000 2.706888 
1 1 1    8    5   49 o   15.736   2.5493   31.300   9.1489   31.300   9.1489   0.0000   0.0000   15.736   2.5493  ?   ?  0.000000 2.549329 
1 1 1    8    5   50 o   14.794   2.5600   27.900   8.6194   27.900   8.6194   0.0000   0.0000   14.794   2.5600  ?   ?  0.000000 2.560032 
1 1 1    8    5   51 o   22.261   2.8241   63.400   14.511   63.400   14.511   0.0000   0.0000   22.261   2.8241  ?   ?  0.000000 2.824102 
1 1 1    8    5   52 o   1.9826   0.9670  -2.7000   1.4746  -2.7000   1.4746   0.0000   0.0000   1.9826   0.9670  ?   ?  0.000000 0.9670288 
1 1 1    8    5   53 o   4.2821   1.8529  -0.2000   3.4437  -0.2000   3.4437   0.0000   0.0000   4.2821   1.8529  ?   ?  0.000000 1.852874 
1 1 1    8    5   54 o   2.9984   1.3943  -2.0000   2.3870  -2.0000   2.3870   0.0000   0.0000   2.9984   1.3943  ?   ?  0.000000 1.394271 
1 1 1    8    5   55 o   16.434   2.8840   38.200   10.783   38.200   10.783   0.0000   0.0000   16.434   2.8840  ?   ?  0.000000 2.883965 
1 1 1    8    5   56 o   8.6857   2.5115   10.700   5.4431   10.700   5.4431   0.0000   0.0000   8.6857   2.5115  ?   ?  0.000000 2.511548 
1 1 1    8    5   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    0 o  399.860   31.157 19617.30  2900.78 19617.30  2900.78 19617.30  2900.78  399.860   31.157  399.860   31.157 0.000000 0.000000 
1 1 1    8    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    3 o  196.576   10.476  4597.98  484.532  4821.50  685.114  4374.30  685.348  200.603   14.562  190.867   15.336 9.735321 21.14816 
1 1 1    8    6    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    6 o   68.862   3.8936  562.067   63.054  604.700   89.154  519.400   89.189   71.318   5.3325   66.022   5.7791 5.296471 7.863437 
1 1 1    8    6    7 o  305.972   15.905 11221.15  1145.16 10726.10  1615.93 11720.60  1623.10  296.614   23.257  310.527   22.283 -13.91275 32.20956 
1 1 1    8    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    6    9 o  211.707   11.273  5343.25  561.529  5460.00  793.955  5226.40  794.288  213.014   15.899  208.288   16.279 4.726227 22.75450 
1 1 1    8    6   10 o  270.064   14.958  8749.24  950.192 10071.70  1342.79  7422.90  1344.76  288.136   19.857  245.817   23.451 42.31897 30.72883 
1 1 1    8    6   11 o  324.401   17.391 12701.16  1327.31 12785.50  1876.46 12616.70  1877.75  321.867   24.882  319.614   25.081 2.252563 35.32980 
1 1 1    8    6   12 o  309.440   16.654 11564.79  1212.45 12193.90  1714.40 10935.30  1714.93  314.483   23.251  296.934   24.682 17.54996 33.90873 
1 1 1    8    6   13 o  238.441   13.095  6826.31  734.511  7396.60  1037.75  6253.80  1039.77  246.466   17.954  225.819   19.696 20.64641 26.65142 
1 1 1    8    6   14 o   82.235   4.6062  802.483   89.085  846.800  125.868  758.000  126.104   84.295   6.3705   79.675   6.7666 4.619667 9.293560 
1 1 1    8    6   15 o  205.950   11.013  5084.55  533.669  5061.20  753.846  5108.00  755.600  203.872   15.782  204.834   15.742 -0.9618683 22.29087 
1 1 1    8    6   16 o  139.950   10.777  2357.00  353.402  2357.00  353.402   0.0000   0.0000  139.950   10.777  ?   ?  0.000000 10.77673 
1 1 1    8    6   17 f  162.326   8.6406  3149.60  330.011  3442.10  466.781  2857.30  466.630  168.852   11.781  153.388   13.006 15.46353 17.54799 
1 1 1    8    6   18 o   75.446   4.2457  675.851   75.331  689.300  106.334  662.300  106.736   75.989   5.9741   74.455   6.1252 1.533539 8.556192 
1 1 1    8    6   19 f  139.455   7.7180  2323.54  253.167  2493.60  357.516  2152.50  358.552  143.747   10.607  133.239   11.509 10.50888 15.65183 
1 1 1    8    6   20 o  130.334   7.2194  2028.45  221.322  2250.10  312.711  1806.00  313.282  136.677   9.7532  122.034   10.989 14.64313 14.69329 
1 1 1    8    6   21 o  235.350   13.177  6751.29  729.367  7511.80  1030.61  5988.20  1032.36  245.091   17.932  216.933   20.393 28.15884 27.15531 
1 1 1    8    6   22 o  239.955   13.499  7038.16  761.787  8005.10  1076.52  6068.30  1078.14  252.539   18.174  217.343   21.280 35.19632 27.98449 
1 1 1    8    6   23 o  169.335   9.2610  3448.83  368.909  3586.70  521.002  3310.20  522.432  171.205   12.984  164.157   13.600 7.047318 18.80270 
1 1 1    8    6   24 o  254.129   14.207  7951.38  849.106  8380.10  1199.38  7520.60  1202.26  255.859   20.011  241.048   21.343 14.81166 29.25643 
1 1 1    8    6   25 o   95.351   5.3523  1083.44  120.025  1158.10  169.469  1008.30  170.016   98.200   7.3619   91.458   7.9515 6.741333 10.83620 
1 1 1    8    6   26 o   67.372   3.8370  539.524   60.789  547.100   85.835  531.900   86.104   67.622   5.4210   66.653   5.5203 0.9683762 7.737045 
1 1 1    8    6   27 o  221.037   12.166  6017.53  632.550  6043.60  893.158  5991.30  895.971  216.719   17.605  215.625   17.755 1.093567 25.00331 
1 1 1    8    6   28 o   97.241   5.0112  1128.45  114.676  993.200  161.733  1265.20  162.623   90.561   7.6342  102.548   6.7535 -11.98699 10.19273 
1 1 1    8    6   29 o   96.429   5.1345  1112.41  116.493  1039.00  164.366  1186.50  165.129   92.464   7.5950   99.016   7.1098 -6.552208 10.40352 
1 1 1    8    6   30 f   60.363   3.3998  433.963   48.263  405.300   68.092  462.900   68.416   58.027   5.0188   62.111   4.6995 -4.083736 6.875621 
1 1 1    8    6   31 o  139.286   7.5991  2375.77  248.994  2310.40  351.509  2441.60  352.754  134.613   11.159  138.670   10.860 -4.056335 15.57082 
1 1 1    8    6   32 o   69.717   3.9612  582.179   64.942  575.200   91.703  589.200   91.982   68.776   5.6979   69.632   5.6426 -0.8564377 8.018998 
1 1 1    8    6   33 o   14.396   1.6549   24.846   5.5233   26.300   7.8206   23.400   7.8016   14.713   2.3285   13.835   2.4790 0.8779984 3.401088 
1 1 1    8    6   34 o   56.551   3.3956  383.299   45.134  415.700   63.733  350.700   63.927   58.530   4.6496   53.574   5.1153 4.955780 6.912695 
1 1 1    8    6   35 o   41.948   2.6681  210.236   26.292  240.900   37.160  179.500   37.203   44.721   3.5480   38.407   4.1691 6.314713 5.474505 
1 1 1    8    6   36 f   60.140   3.5993  435.411   50.880  494.900   71.887  375.700   72.022   63.660   4.8179   55.083   5.6157 8.576557 7.399168 
1 1 1    8    6   37 o   47.524   2.8908  270.731   32.287  302.800   45.675  238.700   45.648   49.972   3.9016   44.157   4.4378 5.814522 5.909054 
1 1 1    8    6   38 o   37.205   2.4538  165.718   21.436  173.000   30.278  158.400   30.354   37.775   3.4318   36.081   3.6111 1.693241 4.981731 
1 1 1    8    6   39 o   11.433   1.5978   15.807   4.1960   19.000   6.0251   12.800   5.8468   12.462   2.1236   10.153   2.4638 2.309297 3.252709 
1 1 1    8    6   40 o   38.064   3.5928  177.700   31.911  177.700   31.911   0.0000   0.0000   38.064   3.5928  ?   ?  0.000000 3.592761 
1 1 1    8    6   41 o   42.891   3.9435  228.600   39.493  228.600   39.493   0.0000   0.0000   42.891   3.9435  ?   ?  0.000000 3.943531 
1 1 1    8    6   42 o   34.095   3.3756  143.600   26.820  143.600   26.820   0.0000   0.0000   34.095   3.3756  ?   ?  0.000000 3.375581 
1 1 1    8    6   43 o   46.192   4.2429  270.500   45.763  270.500   45.763   0.0000   0.0000   46.192   4.2429  ?   ?  0.000000 4.242949 
1 1 1    8    6   44 o   61.451   5.6136  504.300   80.559  504.300   80.559   0.0000   0.0000   61.451   5.6136  ?   ?  0.000000 5.613619 
1 1 1    8    6   45 o   29.114   3.1099  105.200   21.049  105.200   21.049   0.0000   0.0000   29.114   3.1099  ?   ?  0.000000 3.109869 
1 1 1    8    6   46 o   34.159   3.4314  146.500   27.304  146.500   27.304   0.0000   0.0000   34.159   3.4314  ?   ?  0.000000 3.431396 
1 1 1    8    6   47 o   36.995   3.6551  174.800   31.513  174.800   31.513   0.0000   0.0000   36.995   3.6551  ?   ?  0.000000 3.655094 
1 1 1    8    6   48 o   28.828   3.1418  105.300   21.041  105.300   21.041   0.0000   0.0000   28.828   3.1418  ?   ?  0.000000 3.141821 
1 1 1    8    6   49 o   34.029   3.5234  150.600   27.902  150.600   27.902   0.0000   0.0000   34.029   3.5234  ?   ?  0.000000 3.523377 
1 1 1    8    6   50 o   24.091   2.9071   74.200   16.203   74.200   16.203   0.0000   0.0000   24.091   2.9071  ?   ?  0.000000 2.907098 
1 1 1    8    6   51 o   29.572   3.2774  114.100   22.501  114.100   22.501   0.0000   0.0000   29.572   3.2774  ?   ?  0.000000 3.277430 
1 1 1    8    6   52 o   22.115   2.8637   63.300   14.604   63.300   14.604   0.0000   0.0000   22.115   2.8637  ?   ?  0.000000 2.863705 
1 1 1    8    6   53 o   8.7010   2.3594   9.9000   4.9697   9.9000   4.9697   0.0000   0.0000   8.7010   2.3594  ?   ?  0.000000 2.359355 
1 1 1    8    6   54 o   11.314   2.5169   17.300   6.5506   17.300   6.5506   0.0000   0.0000   11.314   2.5169  ?   ?  0.000000 2.516909 
1 1 1    8    6   55 o   13.907   2.7761   27.300   8.7969   27.300   8.7969   0.0000   0.0000   13.907   2.7761  ?   ?  0.000000 2.776050 
1 1 1    8    6   56 o   3.6303   1.6746  -2.1000   3.3414  -2.1000   3.3414   0.0000   0.0000   3.6303   1.6746  ?   ?  0.000000 1.674597 
1 1 1    8    6   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    7    0 o  307.281   23.714 11486.10  1697.14 11486.10  1697.14 11486.10  1697.14  307.281   23.714  307.281   23.714 0.000000 0.000000 
1 1 1    8    7    1 o  146.315   7.7903  2541.79  268.186  2640.10  379.396  2443.60  379.149  148.740   10.877  143.002   11.321 5.737473 15.69948 
1 1 1    8    7    2 f   67.735   3.8220  543.789   60.881  521.300   86.078  566.300   86.119   66.167   5.5608   69.006   5.3263 -2.838623 7.700130 
1 1 1    8    7    3 o  348.036   18.012 14555.42  1475.24 15542.60  2090.33 13575.80  2082.31  356.863   24.963  332.609   26.738 24.25339 36.57985 
1 1 1    8    7    4 o  284.185   15.028  9663.44  1004.91 10138.90  1421.62  9188.60  1420.70  289.336   20.949  274.991   22.065 14.34531 30.42554 
1 1 1    8    7    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    7    7 o  193.539   10.314  4459.21  469.656  4698.90  664.118  4219.40  664.271  197.953   14.304  187.346   15.145 10.60664 20.83199 
1 1 1    8    7    8 o  313.071   16.093 11763.70  1185.72 10640.10  1675.37 12891.30  1678.35  294.630   24.298  325.535   21.962 -30.90524 32.75203 
1 1 1    8    7    9 o  217.988   11.578  5669.08  593.853  5634.10  839.531  5704.10  840.141  216.148   16.575  217.520   16.479 -1.372314 23.37248 
1 1 1    8    7   10 o  153.539   8.2196  2802.99  296.929  2885.10  419.821  2720.80  420.020  155.260   11.533  150.682   11.901 4.577499 16.57290 
1 1 1    8    7   11 o  368.228   29.165 17043.10  2515.18 17043.10  2515.18   0.0000   0.0000  368.228   29.165  ?   ?  0.000000 29.16477 
1 1 1    8    7   12 o   95.106   5.1757  1073.34  115.799  1124.50  163.785  1022.20  163.745   97.133   7.1919   92.536   7.5597 4.596436 10.43419 
1 1 1    8    7   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    7   14 o  169.540   8.9369  3429.33  356.520  3285.10  503.284  3574.60  505.111  164.962   13.026  172.264   12.503 -7.301346 18.05527 
1 1 1    8    7   15 o  268.390   21.162  8967.80  1330.32  8967.80  1330.32   0.0000   0.0000  268.390   21.162  ?   ?  0.000000 21.16240 
1 1 1    8    7   16 o  297.263   23.774 11207.90  1654.82 11207.90  1654.82   0.0000   0.0000  297.263   23.774  ?   ?  0.000000 23.77365 
1 1 1    8    7   17 o  292.888   16.128 10506.18  1111.14 10771.10  1569.07 10239.70  1573.71  291.265   23.001  283.310   23.742 7.955078 33.05655 
1 1 1    8    7   18 o  131.276   7.0745  2054.96  218.493  2116.10  308.966  1993.80  309.026  132.593   9.9403  128.602   10.262 3.991257 14.28678 
1 1 1    8    7   19 o   35.319   2.2653  148.002   18.793  162.900   26.620  133.200   26.534   36.990   3.0755   33.385   3.4139 3.605469 4.594915 
1 1 1    8    7   20 o   97.849   5.4677  1139.48  125.830  1210.20  177.662  1068.30  178.240  100.499   7.5413   94.282   8.0841 6.217064 11.05552 
1 1 1    8    7   21 o  201.669   11.284  4921.30  535.219  5509.30  756.143  4330.90  757.685  211.339   15.254  186.021   17.453 25.31831 23.17975 
1 1 1    8    7   22 o  280.176   15.687  9703.27  1033.70 10175.70  1460.06  9228.50  1463.69  280.768   22.203  265.916   23.554 14.85147 32.36924 
1 1 1    8    7   23 o  276.734   15.724  9487.88  1023.28 10296.90  1445.55  8675.30  1448.73  282.291   21.856  256.545   24.200 25.74612 32.60901 
1 1 1    8    7   24 o   28.658   2.0994   97.573   14.108  119.400   19.942   75.700   19.963   31.663   2.6927   25.054   3.4672 6.608973 4.389974 
1 1 1    8    7   25 o  140.201   7.7300  2357.98  254.925  2463.20  359.878  2252.00  361.163  142.258   10.794  135.764   11.370 6.493637 15.67759 
1 1 1    8    7   26 o   84.557   4.7006  851.381   93.486  858.900  131.937  843.800  132.483   84.573   6.6604   83.803   6.7521 0.7702026 9.484320 
1 1 1    8    7   27 o   51.051   3.0597  309.626   36.714  317.800   51.840  301.400   52.003   51.570   4.2961   50.192   4.4332 1.377911 6.173312 
1 1 1    8    7   28 o   68.105   3.9089  552.275   62.600  568.200   88.323  536.200   88.737   68.808   5.4814   66.790   5.6804 2.018440 7.893779 
1 1 1    8    7   29 o   62.202   3.3988  460.351   49.733  402.900   70.151  518.400   70.515   57.869   5.1887   65.824   4.5648 -7.955055 6.910913 
1 1 1    8    7   30 o   96.584   5.1077  1119.06  116.076  1032.20  163.603  1207.10  164.714   91.864   7.6105   99.626   7.0471 -7.761818 10.37212 
1 1 1    8    7   31 o   61.446   3.5935  450.863   51.914  483.600   73.347  418.000   73.487   63.335   4.9434   58.747   5.3563 4.587997 7.288826 
1 1 1    8    7   32 o   73.447   4.2113  647.383   72.733  684.000  102.743  610.600  102.977   74.950   5.8517   70.643   6.2373 4.306953 8.552529 
1 1 1    8    7   33 o   74.329   4.2645  664.833   74.536  692.600  105.253  636.900  105.568   75.201   5.9765   71.963   6.2752 3.237930 8.665848 
1 1 1    8    7   34 o   24.010   1.9115   68.745   10.747   80.700   15.203   56.800   15.196   25.941   2.5133   21.622   3.0618 4.318979 3.961289 
1 1 1    8    7   35 o   62.261   3.7024  466.430   54.188  540.200   76.566  392.400   76.700   66.564   4.9058   56.287   5.8564 10.27659 7.639646 
1 1 1    8    7   36 o   6.3085   1.6592   4.8858   2.5046   5.1000   3.6750   4.7000   3.4226   6.6135   2.0969   6.3589   2.0244 0.2545681 2.914611 
1 1 1    8    7   37 o   63.839   3.7446  492.410   56.201  505.000   79.293  479.700   79.670   63.935   5.2999   62.208   5.4795 1.726120 7.623256 
1 1 1    8    7   38 o   28.669   2.0947   98.253   14.082   99.000   19.872   97.500   19.959   28.598   2.9867   28.369   3.0261 0.2290268 4.251809 
1 1 1    8    7   39 o   24.063   1.9404   69.318   10.932   82.200   15.449   56.400   15.470   26.098   2.5390   21.428   3.1514 4.669823 4.046958 
1 1 1    8    7   40 o   20.468   1.7948   50.224   8.5871   69.800   12.152   30.700   12.136   24.084   2.1597   15.622   3.3874 8.461981 4.017324 
1 1 1    8    7   41 o   7.1496   1.6947   6.3290   2.8174   9.2000   4.3783   4.3000   3.6808   8.6024   2.1588   6.2177   2.1057 2.384705 3.015714 
1 1 1    8    7   42 o   37.139   3.5787  171.200   30.996  171.200   30.996   0.0000   0.0000   37.139   3.5787  ?   ?  0.000000 3.578660 
1 1 1    8    7   43 o   28.096   3.0237   97.400   19.745   97.400   19.745   0.0000   0.0000   28.096   3.0237  ?   ?  0.000000 3.023666 
1 1 1    8    7   44 o   34.453   3.4156  147.900   27.422  147.900   27.422   0.0000   0.0000   34.453   3.4156  ?   ?  0.000000 3.415572 
1 1 1    8    7   45 o   36.643   3.5865  168.600   30.635  168.600   30.635   0.0000   0.0000   36.643   3.5865  ?   ?  0.000000 3.586506 
1 1 1    8    7   46 o   11.547   2.5011   16.800   6.6226   16.800   6.6226   0.0000   0.0000   11.547   2.5011  ?   ?  0.000000 2.501128 
1 1 1    8    7   47 o   33.111   3.3898  138.900   26.130  138.900   26.130   0.0000   0.0000   33.111   3.3898  ?   ?  0.000000 3.389785 
1 1 1    8    7   48 o   11.285   2.4820   16.200   6.4342   16.200   6.4342   0.0000   0.0000   11.285   2.4820  ?   ?  0.000000 2.482008 
1 1 1    8    7   49 o   12.109   2.4698   18.700   6.8226   18.700   6.8226   0.0000   0.0000   12.109   2.4698  ?   ?  0.000000 2.469805 
1 1 1    8    7   50 o   22.105   2.8067   62.300   14.320   62.300   14.320   0.0000   0.0000   22.105   2.8067  ?   ?  0.000000 2.806674 
1 1 1    8    7   51 o   19.902   2.7073   50.600   12.393   50.600   12.393   0.0000   0.0000   19.902   2.7073  ?   ?  0.000000 2.707332 
1 1 1    8    7   52 o   6.0184   2.0436   4.2000   3.4671   4.2000   3.4671   0.0000   0.0000   6.0184   2.0436  ?   ?  0.000000 2.043649 
1 1 1    8    7   53 o   11.593   2.5576   17.800   6.8137   17.800   6.8137   0.0000   0.0000   11.593   2.5576  ?   ?  0.000000 2.557647 
1 1 1    8    7   54 o   18.896   2.8325   48.800   12.249   48.800   12.249   0.0000   0.0000   18.896   2.8325  ?   ?  0.000000 2.832486 
1 1 1    8    7   55 o   3.8508   1.6553   0.1000   2.7126   0.1000   2.7126   0.0000   0.0000   3.8508   1.6553  ?   ?  0.000000 1.655295 
1 1 1    8    7   56 o   8.1954   2.8115   9.6000   6.5630   9.6000   6.5630   0.0000   0.0000   8.1954   2.8115  ?   ?  0.000000 2.811506 
1 1 1    8    7   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    8    0 o  281.693   21.777  9638.10  1428.64  9638.10  1428.64  9638.10  1428.64  281.693   21.777  281.693   21.777 -0.000000 0.000000 
1 1 1    8    8    1 o  363.031   19.457 15882.74  1661.88 15748.50  2349.31 16017.20  2351.21  357.627   28.044  360.802   27.811 -3.175140 39.49616 
1 1 1    8    8    2 o  163.342   8.5987  3169.95  330.493  2920.70  467.152  3419.70  467.624  156.164   12.780  169.226   11.776 -13.06279 17.37805 
1 1 1    8    8    3 o  104.342   5.6203  1291.12  137.967  1239.30  194.967  1343.10  195.264  101.964   8.1660  106.212   7.8410 -4.247704 11.32098 
1 1 1    8    8    4 o  279.305   14.822  9335.52  974.043  9071.20  1377.18  9600.10  1377.83  273.298   21.514  281.419   20.883 -8.121368 29.98224 
1 1 1    8    8    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    8    6 o  251.714   13.370  7571.11  791.834  7725.70  1119.96  7416.60  1119.69  252.793   18.899  247.532   19.309 5.261215 27.01809 
1 1 1    8    8    7 o  398.470   31.459 19853.60  2935.97 19853.60  2935.97   0.0000   0.0000  398.470   31.459  ?   ?  0.000000 31.45867 
1 1 1    8    8    8 o  114.675   6.2046  1560.58  167.388  1624.50  236.667  1496.60  236.778  116.733   8.6473  111.967   9.0324 4.766273 12.50438 
1 1 1    8    8    9 o  242.775   12.958  7050.29  740.140  7258.30  1046.49  6842.10  1046.94  244.809   18.233  237.452   18.826 7.357468 26.20842 
1 1 1    8    8   10 o  256.026   13.674  7859.21  823.667  7985.10  1164.55  7733.20  1165.13  256.121   19.399  251.891   19.747 4.230713 27.68146 
1 1 1    8    8   11 o  113.134   5.9951  1519.52  159.587  1406.40  225.512  1633.00  225.869  108.460   8.8830  117.021   8.2262 -8.560493 12.10699 
1 1 1    8    8   12 o  115.719   6.2658  1590.83  170.577  1648.70  241.164  1532.90  241.300  117.473   8.7568  113.193   9.1047 4.279663 12.63238 
1 1 1    8    8   13 o  115.889   6.1986  1595.83  169.013  1565.00  238.365  1627.00  239.680  114.373   8.8958  116.651   8.7653 -2.278191 12.48865 
1 1 1    8    8   14 o   42.575   2.6532  214.998   26.541  216.900   37.551  213.100   37.517   42.664   3.7660   42.282   3.7981 0.3816910 5.348677 
1 1 1    8    8   15 o  268.423   14.882  8750.41  939.592  9416.80  1327.43  8081.30  1330.14  275.063   20.586  253.481   22.455 21.58202 30.46327 
1 1 1    8    8   16 o   84.640   4.7667  850.951   94.882  952.600  134.084  749.000  134.283   89.365   6.3963   79.053   7.2751 10.31136 9.687138 
1 1 1    8    8   17 o  143.206   7.6603  2447.55  258.101  2639.60  365.056  2255.60  364.963  148.051   10.510  136.553   11.423 11.49805 15.52290 
1 1 1    8    8   18 o   93.995   5.1127  1050.21  113.052  1185.40  159.901  915.100  159.859   99.627   6.8383   87.301   7.8380 12.32561 10.40177 
1 1 1    8    8   19 o   43.841   2.6938  228.044   27.752  233.700   39.268  222.400   39.227   44.278   3.7922   43.176   3.8893 1.102783 5.432073 
1 1 1    8    8   20 o  165.588   8.9089  3289.32  347.068  3325.60  490.716  3253.00  490.941  165.182   12.677  163.294   12.835 1.887009 18.04067 
1 1 1    8    8   21 o   62.780   3.5830  467.899   52.896  468.500   74.859  467.300   74.755   62.645   5.1049   62.565   5.1044 0.8067322E-01 7.219081 
1 1 1    8    8   22 o   96.269   5.3137  1103.13  120.327  1133.80  169.948  1072.30  170.389   97.228   7.4591   94.489   7.7036 2.739143 10.72303 
1 1 1    8    8   23 o   49.071   2.8839  285.738   33.270  271.000   46.798  300.800   47.309   47.645   4.2026   50.237   4.0217 -2.591988 5.816853 
1 1 1    8    8   24 o  145.650   7.8438  2544.02  268.780  2523.70  379.369  2564.50  380.860  143.900   11.254  145.084   11.204 -1.184311 15.88007 
1 1 1    8    8   25 o   73.720   4.1872  646.248   72.590  664.600  102.387  627.700  102.931   74.513   5.8665   72.364   6.0800 2.148468 8.448789 
1 1 1    8    8   26 o   88.571   4.8222  934.464  100.476  902.600  141.793  966.600  142.398   86.620   6.9918   89.707   6.7721 -3.087051 9.733827 
1 1 1    8    8   27 o  158.743   8.3939  3046.04  313.528  2893.00  442.370  3200.50  444.429  152.630   12.381  160.951   11.775 -8.321243 17.08615 
1 1 1    8    8   28 o  165.928   9.3236  3362.78  363.834  3622.20  513.914  3102.10  515.166  169.678   12.923  156.027   14.136 13.65102 19.15310 
1 1 1    8    8   29 o   87.386   4.8515  913.604   99.717  914.800  140.760  912.400  141.285   86.860   6.9201   86.733   6.9569 0.1267166 9.812612 
1 1 1    8    8   30 o   27.443   2.0446   89.612   13.155   94.100   18.580   85.100   18.628   28.028   2.8468   26.614   3.0174 1.413681 4.148348 
1 1 1    8    8   31 o   89.525   5.0564  964.987  106.456  1003.70  150.287  926.000  150.818   90.477   7.0911   86.724   7.4366 3.752991 10.27555 
1 1 1    8    8   32 o   11.523   1.6685   16.036   4.4078   10.200   6.2527   21.800   6.2145   9.1949   2.7014   13.418   2.0243 -4.223500 3.375692 
1 1 1    8    8   33 o   7.9226   1.5856   7.6925   2.8629   5.7000   3.9490   9.9000   4.1565   6.9619   2.1689   8.9642   2.0129 -2.002314 2.959023 
1 1 1    8    8   34 o  103.443   5.7843  1311.27  140.725  1302.20  198.664  1320.40  199.369  101.080   8.3993  101.816   8.3664 -0.7365036 11.85515 
1 1 1    8    8   35 o   29.824   2.1700  106.148   15.177  114.700   21.405   97.500   21.524   30.870   2.9731   28.378   3.2721 2.492380 4.421068 
1 1 1    8    8   36 o   48.459   3.0021  281.579   34.184  320.400   48.295  242.600   48.393   51.406   4.0103   44.470   4.6786 6.936142 6.162079 
1 1 1    8    8   37 o   36.883   2.4419  162.723   21.148  179.100   29.886  146.300   29.928   38.499   3.3199   34.663   3.7142 3.835964 4.981684 
1 1 1    8    8   38 o   51.502   3.1362  319.502   37.959  368.100   53.653  270.800   53.711   54.888   4.1707   46.705   4.9453 8.183331 6.469249 
1 1 1    8    8   39 o   44.653   2.8401  240.283   29.791  260.400   42.045  220.000   42.217   46.089   3.8998   42.169   4.2998 3.920498 5.804911 
1 1 1    8    8   40 o   41.937   2.7059  212.309   26.653  227.000   37.617  197.500   37.769   42.947   3.7468   39.895   4.0661 3.052483 5.529173 
1 1 1    8    8   41 o   39.376   2.5809  187.485   23.864  206.300   33.718  168.600   33.781   40.907   3.5250   36.751   3.9549 4.156372 5.297835 
1 1 1    8    8   42 f   11.249   1.6732   15.403   4.3091   14.100   6.1014   16.700   6.0866   10.610   2.4799   11.592   2.3047 -0.9825916 3.385477 
1 1 1    8    8   43 o   29.591   2.1901  105.813   15.195  117.900   21.433   93.600   21.545   30.958   2.9682   27.377   3.4063 3.581488 4.518093 
1 1 1    8    8   44 o   30.325   2.1773  111.197   15.488  120.500   21.906  101.900   21.899   31.251   3.0056   28.587   3.3051 2.664127 4.467362 
1 1 1    8    8   45 o   22.235   2.7429   61.100   14.096   61.100   14.096   0.0000   0.0000   22.235   2.7429  ?   ?  0.000000 2.742904 
1 1 1    8    8   46 o   14.350   2.4876   25.700   8.1239   25.700   8.1239   0.0000   0.0000   14.350   2.4876  ?   ?  0.000000 2.487636 
1 1 1    8    8   47 o   34.999   3.5185  156.100   28.685  156.100   28.685   0.0000   0.0000   34.999   3.5185  ?   ?  0.000000 3.518517 
1 1 1    8    8   48 o   28.008   3.0900   99.400   20.096   99.400   20.096   0.0000   0.0000   28.008   3.0900  ?   ?  0.000000 3.090004 
1 1 1    8    8   49 o   17.406   2.6396   38.400   10.509   38.400   10.509   0.0000   0.0000   17.406   2.6396  ?   ?  0.000000 2.639630 
1 1 1    8    8   50 f   17.736   2.6239   40.000   10.658   40.000   10.658   0.0000   0.0000   17.736   2.6239  ?   ?  0.000000 2.623855 
1 1 1    8    8   51 o   7.4301   2.2636   6.9000   4.3298   6.9000   4.3298   0.0000   0.0000   7.4301   2.2636  ?   ?  0.000000 2.263647 
1 1 1    8    8   52 o   9.8129   2.5519   12.600   5.9687   12.600   5.9687   0.0000   0.0000   9.8129   2.5519  ?   ?  0.000000 2.551879 
1 1 1    8    8   53 o   1.6081   0.8002  -3.0000   1.1950  -3.0000   1.1950   0.0000   0.0000   1.6081   0.8002  ?   ?  0.000000 0.8001536 
1 1 1    8    8   54 o   8.3159   2.4021   9.3000   4.9814   9.3000   4.9814   0.0000   0.0000   8.3159   2.4021  ?   ?  0.000000 2.402107 
1 1 1    8    8   55 o   6.6357   2.2101   5.7000   4.0551   5.7000   4.0551   0.0000   0.0000   6.6357   2.2101  ?   ?  0.000000 2.210147 
1 1 1    8    8   56 o   6.0114   2.2164   4.3000   4.1485   4.3000   4.1485   0.0000   0.0000   6.0114   2.2164  ?   ?  0.000000 2.216391 
1 1 1    8    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8    9    0 o   37.676   3.5642  172.100   31.057  172.100   31.057  172.100   31.057   37.676   3.5642   37.676   3.5642 0.000000 0.000000 
1 1 1    8    9    1 o  294.118   15.649 10365.82  1082.96 10086.10  1531.46 10645.60  1531.62  287.784   22.721  295.952   22.075 -8.167847 31.67871 
1 1 1    8    9    2 o  212.919   11.032  5399.37  552.760  6077.30  782.203  4723.10  781.239  225.176   14.793  197.912   16.878 27.26350 22.44326 
1 1 1    8    9    3 o  401.877   31.653 20142.20  2979.45 20142.20  2979.45   0.0000   0.0000  401.877   31.653  ?   ?  0.000000 31.65259 
1 1 1    8    9    4 o  328.035   17.505 12941.57  1351.04 12655.20  1910.56 13228.00  1910.76  321.163   25.400  328.674   24.802 -7.511200 35.50075 
1 1 1    8    9    5 o  235.683   12.261  6628.22  680.022  5872.00  961.138  7386.20  962.256  220.234   18.657  247.790   16.540 -27.55588 24.93330 
1 1 1    8    9    6 o  136.510   7.3019  2212.93  234.524  2305.50  331.705  2120.40  331.628  138.976   10.178  133.180   10.634 5.795715 14.72001 
1 1 1    8    9    7 o  372.000   29.184 17233.90  2543.06 17233.90  2543.06   0.0000   0.0000  372.000   29.184  ?   ?  0.000000 29.18434 
1 1 1    8    9    8 o  293.954   15.547 10383.27  1075.31 11097.20  1521.28  9670.40  1520.15  301.565   21.504  280.689   23.141 20.87610 31.59026 
1 1 1    8    9    9 o  328.247   17.605 13024.72  1359.58 12790.20  1922.60 13259.30  1922.87  321.181   25.561  327.344   25.067 -6.163361 35.80114 
1 1 1    8    9   10 o  261.815   13.971  8234.22  860.641  8203.40  1216.59  8265.10  1217.67  259.000   20.048  260.006   19.986 -1.005981 28.30841 
1 1 1    8    9   11 o  247.500   13.284  7357.60  773.554  7656.50  1093.69  7058.40  1094.25  250.469   18.625  240.072   19.470 10.39751 26.94398 
1 1 1    8    9   12 o   34.826   2.3179  143.903   18.953  139.300   26.812  148.500   26.794   34.166   3.3671   35.299   3.2511 -1.132656 4.680501 
1 1 1    8    9   13 o  125.859   6.7927  1884.32  201.130  1896.30  284.155  1872.30  284.727  125.787   9.6400  124.967   9.7253 0.8193817 13.69347 
1 1 1    8    9   14 o  247.881   13.729  7428.88  800.499  8241.00  1131.18  6614.20  1132.97  258.615   18.648  230.213   21.075 28.40186 28.14122 
1 1 1    8    9   15 f  117.410   6.3709  1640.50  175.972  1653.90  248.426  1627.00  249.300  117.429   9.0281  116.442   9.1402 0.9873810 12.84718 
1 1 1    8    9   16 o  148.365   8.1033  2629.16  282.820  2752.60  399.462  2505.10  400.477  151.018   11.283  143.854   11.896 7.164352 16.39604 
1 1 1    8    9   17 o  133.875   7.2123  2137.66  227.159  2163.20  321.167  2112.10  321.335  133.999   10.227  132.363   10.364 1.636032 14.56031 
1 1 1    8    9   18 o  111.180   6.0262  1471.80  157.617  1541.20  222.900  1402.40  222.910  113.341   8.3880  107.996   8.8179 5.344521 12.17019 
1 1 1    8    9   19 o   65.711   3.7316  512.602   57.663  520.200   81.539  505.000   81.557   66.020   5.2743   65.031   5.3588 0.9892197 7.518930 
1 1 1    8    9   20 o   53.612   3.1467  341.096   39.662  346.800   56.110  335.400   56.070   53.925   4.4461   53.015   4.5221 0.9091835 6.341717 
1 1 1    8    9   21 o   97.049   5.3058  1120.85  121.131  1135.00  171.277  1106.70  171.334   97.280   7.5144   96.032   7.6181 1.247810 10.70049 
1 1 1    8    9   22 o  151.717   8.1195  2758.17  289.832  2669.00  409.703  2847.50  410.066  148.027   11.820  153.076   11.427 -5.048843 16.44007 
1 1 1    8    9   23 o  154.565   8.2548  2866.46  300.195  2986.10  424.703  2747.00  424.377  156.581   11.568  149.938   12.089 6.642960 16.73215 
1 1 1    8    9   24 o  147.396   7.9450  2606.95  275.509  2611.80  389.773  2602.10  389.483  146.317   11.370  146.039   11.384 0.2784119 16.08999 
1 1 1    8    9   25 o  147.968   8.1276  2633.12  282.896  2725.40  399.394  2540.20  400.760  149.242   11.420  143.835   11.906 5.407043 16.49769 
1 1 1    8    9   26 o   50.844   3.0445  307.069   36.385  314.900   51.392  299.200   51.520   51.342   4.2779   50.018   4.4070 1.323757 6.141819 
1 1 1    8    9   27 o  107.845   5.9604  1392.80  151.198  1426.90  213.358  1358.40  214.297  108.419   8.3993  105.678   8.6637 2.740982 12.06681 
1 1 1    8    9   28 o  136.269   7.5301  2246.91  241.364  2315.00  340.814  2178.40  341.870  136.702   10.642  132.351   11.040 4.350998 15.33371 
1 1 1    8    9   29 o  142.757   7.8235  2481.86  262.727  2472.60  370.865  2491.20  372.243  140.212   11.297  140.742   11.296 -0.5294342 15.97561 
1 1 1    8    9   30 o   50.157   2.9573  299.536   34.871  285.300   49.205  313.900   49.425   48.711   4.3228   51.151   4.1270 -2.440250 5.976515 
1 1 1    8    9   31 o   42.527   2.6786  215.424   26.761  228.700   37.812  202.100   37.881   43.653   3.7031   40.966   3.9656 2.687092 5.425758 
1 1 1    8    9   32 o   56.857   3.3293  386.390   44.504  384.500   62.773  388.300   63.106   56.361   4.7612   56.640   4.7625 -0.2790947 6.734241 
1 1 1    8    9   33 o  126.365   6.9007  1977.31  205.131  1875.80  289.264  2080.00  290.942  119.691   10.336  126.685   9.8019 -6.994255 14.24472 
1 1 1    8    9   34 o   47.499   2.9390  269.858   32.803  303.700   46.350  235.900   46.430   50.150   3.9458   43.996   4.5341 6.154030 6.010613 
1 1 1    8    9   35 o   14.696   1.6975   25.925   5.7824   28.200   8.1336   23.600   8.2223   15.232   2.3358   13.860   2.6081 1.372583 3.501161 
1 1 1    8    9   36 o   68.359   3.9849  565.228   64.045  657.000   90.535  473.300   90.612   73.075   5.2823   61.411   6.3397 11.66379 8.251932 
1 1 1    8    9   37 o   25.982   1.9895   80.648   12.113   80.300   17.083   81.000   17.179   25.766   2.8557   25.879   2.8589 -0.1126900 4.040854 
1 1 1    8    9   38 f   33.032   2.2773  130.616   17.655  153.100   24.959  108.100   24.977   35.606   2.9963   29.705   3.6366 5.900946 4.711999 
1 1 1    8    9   39 o   39.945   2.5709  191.857   24.121  239.800   34.110  143.900   34.115   44.438   3.2737   33.975   4.3524 10.46346 5.446137 
1 1 1    8    9   40 o   41.838   2.6562  211.340   26.106  243.500   36.925  179.200   36.913   44.552   3.5390   37.884   4.1969 6.667950 5.489862 
1 1 1    8    9   41 o   6.3426   1.7169   4.9515   2.6344   7.5000   3.6892   2.3000   3.7631   7.7764   1.9983   5.4036   2.0841 2.372772 2.887301 
1 1 1    8    9   42 f   47.094   3.0624  271.537   33.870  315.200   47.798  227.500   48.002   50.084   4.0770   41.911   4.9456 8.172798 6.409449 
1 1 1    8    9   43 f   32.542   2.2890  128.131   17.477  133.600   24.646  122.600   24.787   32.853   3.2183   31.376   3.3999 1.476923 4.681524 
1 1 1    8    9   44 o   9.2827   1.9215   10.698   4.0731   4.5000   6.0294   15.900   5.5241   7.0396   2.6566   11.320   2.1451 -4.280635 3.414490 
1 1 1    8    9   45 o   11.949   1.7057   17.402   4.6762   17.100   6.6373   17.700   6.5891   11.668   2.4852   11.887   2.4295 -0.2191353 3.475447 
1 1 1    8    9   46 o   15.582   1.6957   29.413   6.1388   36.000   8.7403   23.000   8.6239   17.119   2.2140   13.462   2.8039 3.656615 3.572608 
1 1 1    8    9   47 o   30.758   3.2421  119.700   23.193  119.700   23.193   0.0000   0.0000   30.758   3.2421  ?   ?  0.000000 3.242105 
1 1 1    8    9   48 o   15.733   2.5626   31.200   9.1929   31.200   9.1929   0.0000   0.0000   15.733   2.5626  ?   ?  0.000000 2.562583 
1 1 1    8    9   49 o   37.798   3.8420  189.600   33.816  189.600   33.816   0.0000   0.0000   37.798   3.8420  ?   ?  0.000000 3.842044 
1 1 1    8    9   50 o   9.4246   2.3631   11.400   5.2494   11.400   5.2494   0.0000   0.0000   9.4246   2.3631  ?   ?  0.000000 2.363106 
1 1 1    8    9   51 o   8.3048   2.4125   8.8000   5.0118   8.8000   5.0118   0.0000   0.0000   8.3048   2.4125  ?   ?  0.000000 2.412484 
1 1 1    8    9   52 o   19.560   2.7573   49.700   12.382   49.700   12.382   0.0000   0.0000   19.560   2.7573  ?   ?  0.000000 2.757260 
1 1 1    8    9   53 o   11.594   2.6647   18.100   7.1424   18.100   7.1424   0.0000   0.0000   11.594   2.6647  ?   ?  0.000000 2.664673 
1 1 1    8    9   54 o   9.9336   2.4752   13.500   5.7850   13.500   5.7850   0.0000   0.0000   9.9336   2.4752  ?   ?  0.000000 2.475230 
1 1 1    8    9   55 o   17.736   2.8466   44.700   11.518   44.700   11.518   0.0000   0.0000   17.736   2.8466  ?   ?  0.000000 2.846564 
1 1 1    8    9   56 o   6.1823   2.3533   4.4000   4.7574   4.4000   4.7574   0.0000   0.0000   6.1823   2.3533  ?   ?  0.000000 2.353350 
1 1 1    8    9   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   10    0 o   81.904   6.5715  808.100  125.213  808.100  125.213  808.100  125.213   81.904   6.5715   81.904   6.5715 0.000000 0.000000 
1 1 1    8   10    1 o  531.247   43.796 36858.40  5445.08 36858.40  5445.08   0.0000   0.0000  531.247   43.796  ?   ?  0.000000 43.79586 
1 1 1    8   10    2 o  423.313   33.641 22544.30  3335.05 22544.30  3335.05   0.0000   0.0000  423.313   33.641  ?   ?  0.000000 33.64149 
1 1 1    8   10    3 o  402.331   21.565 19643.64  2041.33 20655.20  2888.68 18634.60  2885.09  407.353   30.247  385.661   31.969 21.69168 44.00967 
1 1 1    8   10    4 o  348.476   18.653 14652.93  1529.37 14843.10  2162.97 14462.80  2162.74  346.933   26.605  342.230   26.981 4.702576 37.89210 
1 1 1    8   10    5 o   43.561   2.6762  224.982   27.395  238.200   38.769  211.800   38.715   44.746   3.7025   42.152   3.9350 2.593460 5.403041 
1 1 1    8   10    6 o  252.980   13.051  7653.41  776.974  8573.00  1099.67  6736.70  1097.95  266.448   17.577  235.281   19.950 31.16710 26.58827 
1 1 1    8   10    7 o   38.559   2.4580  176.328   22.264  154.900   31.469  197.800   31.502   36.010   3.7562   40.783   3.2994 -4.773453 4.999487 
1 1 1    8   10    8 o   69.979   3.9280  580.633   64.646  595.200   91.476  566.100   91.370   70.712   5.5222   68.936   5.6631 1.776306 7.909832 
1 1 1    8   10    9 o   89.110   4.6836  941.679   98.207  1088.40  139.062  795.700  138.710   95.676   6.1884   81.610   7.2741 14.06565 9.550341 
1 1 1    8   10   10 o  115.482   6.2221  1584.13  169.048  1628.10  239.128  1540.20  239.013  116.741   8.7379  113.489   8.9924 3.252357 12.53846 
1 1 1    8   10   11 o  126.110   6.7539  1890.73  200.394  1984.70  283.504  1796.90  283.295  128.810   9.3852  122.443   9.8824 6.367737 13.62877 
1 1 1    8   10   12 o  204.043   11.045  4988.90  530.192  5207.10  749.041  4769.80  750.570  207.047   15.431  197.828   16.210 9.218750 22.38028 
1 1 1    8   10   13 o  289.852   15.972 10224.32  1088.95 10721.10  1538.20  9725.20  1541.82  292.674   22.428  277.741   23.737 14.93311 32.65643 
1 1 1    8   10   14 o  145.514   7.9623  2526.42  272.555  2637.40  384.812  2414.70  386.094  147.971   11.094  141.399   11.668 6.571060 16.09987 
1 1 1    8   10   15 o  272.873   21.675  9374.20  1385.15  9374.20  1385.15   0.0000   0.0000  272.873   21.675  ?   ?  0.000000 21.67544 
1 1 1    8   10   16 o  170.078   9.3669  3466.65  374.740  3696.60  529.276  3235.50  530.650  174.497   12.937  162.829   13.935 11.66818 19.01478 
1 1 1    8   10   17 f   99.048   5.3144  1166.47  123.844  1314.30  175.218  1018.90  175.067  104.877   7.1173   92.097   8.1336 12.77991 10.80791 
1 1 1    8   10   18 o  225.467   12.226  6160.08  648.495  6500.30  916.934  5819.60  917.288  228.880   17.089  215.825   18.168 13.05527 24.94176 
1 1 1    8   10   19 o  116.634   6.1978  1620.83  170.083  1842.00  240.628  1400.00  240.441  123.938   8.2695  107.677   9.5556 16.26115 12.63704 
1 1 1    8   10   20 f  156.644   8.4366  2940.82  310.911  3209.20  439.677  2672.40  439.714  162.633   11.524  147.898   12.714 14.73457 17.15928 
1 1 1    8   10   21 o  173.458   9.2191  3616.24  376.256  4096.70  532.224  3136.20  531.989  183.394   12.362  159.524   14.273 23.86961 18.88249 
1 1 1    8   10   22 o   73.477   4.0922  641.425   70.721  680.300  100.047  602.600   99.983   75.471   5.6550   70.947   6.0250 4.523743 8.263092 
1 1 1    8   10   23 o  206.578   11.048  5178.31  536.986  5825.40  759.586  4531.80  759.240  216.774   14.930  189.646   17.139 27.12837 22.73020 
1 1 1    8   10   24 o  270.714   14.908  9098.05  949.297  9261.40  1342.69  8934.80  1342.32  266.227   21.543  260.950   21.989 5.276978 30.78310 
1 1 1    8   10   25 o  118.675   6.3926  1684.54  178.483  1726.50  252.581  1642.70  252.245  119.396   9.0254  116.371   9.2560 3.025833 12.92792 
1 1 1    8   10   26 o   98.569   5.3225  1159.72  123.426  1218.00  174.666  1101.60  174.434  100.519   7.4109   95.461   7.8066 5.058617 10.76405 
1 1 1    8   10   27 o  117.234   6.3904  1650.09  176.240  1646.40  248.847  1653.80  249.635  116.103   9.1509  116.361   9.1593 -0.2585220 12.94723 
1 1 1    8   10   28 o   61.781   3.5479  454.463   51.542  448.100   72.685  460.900   73.101   61.076   5.0860   61.957   5.0403 -0.8808708 7.160386 
1 1 1    8   10   29 o   51.040   3.0640  310.125   36.758  319.200   51.912  301.000   52.055   51.581   4.3012   50.050   4.4509 1.531147 6.189620 
1 1 1    8   10   30 o   67.987   3.7734  552.143   60.341  522.000   85.045  582.700   85.628   65.658   5.5369   69.477   5.2582 -3.819077 7.635830 
1 1 1    8   10   31 o   25.963   2.0282   80.308   12.336   69.300   17.491   91.200   17.400   23.935   3.1730   27.589   2.7056 -3.654005 4.169949 
1 1 1    8   10   32 o  102.062   5.7016  1267.73  136.862  1275.60  193.222  1259.80  193.885  100.809   8.1877  100.116   8.2754 0.6928787 11.64133 
1 1 1    8   10   33 o   40.287   2.5214  193.589   23.866  183.300   33.651  204.000   33.852   38.967   3.7016   41.168   3.5159 -2.201443 5.105268 
1 1 1    8   10   34 o   32.237   2.2262  123.951   16.843  124.400   23.780  123.500   23.858   32.129   3.1760   32.007   3.1995 0.1222458 4.508199 
1 1 1    8   10   35 o   46.011   2.8201  253.324   30.492  249.000   42.995  257.700   43.251   45.293   4.0632   46.098   4.0133 -0.8052101 5.711099 
1 1 1    8   10   36 o   42.215   2.7050  213.365   26.823  235.500   37.878  191.100   37.989   44.111   3.6697   39.572   4.1261 4.538921 5.521928 
1 1 1    8   10   37 o   30.923   2.1960  114.323   15.931  119.200   22.478  109.400   22.583   31.397   3.0711   30.026   3.2361 1.370537 4.461435 
1 1 1    8   10   38 o   42.232   2.6865  214.276   26.652  250.800   37.678  177.700   37.705   45.426   3.5405   37.927   4.2852 7.499046 5.558599 
1 1 1    8   10   39 f   27.334   2.0573   89.561   13.182   98.900   18.631   80.200   18.653   28.556   2.7988   25.592   3.1532 2.964298 4.216208 
1 1 1    8   10   40 o   43.248   2.7573  226.387   28.012  255.600   39.589  197.100   39.640   45.522   3.7154   39.646   4.3033 5.875633 5.685275 
1 1 1    8   10   41 o   37.958   2.5579  174.386   22.794  198.300   32.178  150.300   32.293   40.109   3.4305   34.602   4.0276 5.506775 5.290523 
1 1 1    8   10   42 o   28.231   2.1405   96.170   14.163  118.100   19.998   74.100   20.062   31.094   2.7521   24.262   3.6117 6.831799 4.540762 
1 1 1    8   10   43 o   19.404   1.8507   45.433   8.3771   52.700   11.780   38.000   11.915   20.753   2.4512   17.415   3.0060 3.338198 3.878685 
1 1 1    8   10   44 o   29.554   2.2217  105.774   15.391  118.900   21.665   92.400   21.869   31.039   2.9929   27.111   3.4975 3.927528 4.603302 
1 1 1    8   10   45 o   33.334   2.3053  134.886   18.034  160.100   25.511  109.700   25.497   35.984   3.0306   29.378   3.7617 6.605682 4.830627 
1 1 1    8   10   46 o   7.6015   1.7821   7.2089   3.1433   1.5000   4.4686   12.800   4.4223   5.4390   2.2140   10.156   1.9142 -4.717329 2.926742 
1 1 1    8   10   47 o   19.013   1.8123   43.914   8.0381   51.700   11.357   36.100   11.378   20.442   2.3984   16.823   2.9730 3.619555 3.819784 
1 1 1    8   10   48 o   23.080   2.8376   67.300   15.139   67.300   15.139   0.0000   0.0000   23.080   2.8376  ?   ?  0.000000 2.837639 
1 1 1    8   10   49 o   8.5061   2.3917   9.2000   5.0046   9.2000   5.0046   0.0000   0.0000   8.5061   2.3917  ?   ?  0.000000 2.391684 
1 1 1    8   10   50 o   2.7297   1.2708  -1.8000   1.9919  -1.8000   1.9919   0.0000   0.0000   2.7297   1.2708  ?   ?  0.000000 1.270767 
1 1 1    8   10   51 o   8.3398   2.3790   8.9000   4.9146   8.9000   4.9146   0.0000   0.0000   8.3398   2.3790  ?   ?  0.000000 2.378950 
1 1 1    8   10   52 o   5.9080   2.1208   3.8000   3.7639   3.8000   3.7639   0.0000   0.0000   5.9080   2.1208  ?   ?  0.000000 2.120803 
1 1 1    8   10   53 f   13.022   2.5973   22.700   7.7064   22.700   7.7064   0.0000   0.0000   13.022   2.5973  ?   ?  0.000000 2.597275 
1 1 1    8   10   54 o   12.360   2.6110   21.100   7.3819   21.100   7.3819   0.0000   0.0000   12.360   2.6110  ?   ?  0.000000 2.611031 
1 1 1    8   10   55 o   17.331   2.8413   42.900   11.225   42.900   11.225   0.0000   0.0000   17.331   2.8413  ?   ?  0.000000 2.841285 
1 1 1    8   10   56 o  ?   ?   -6.7000   0.9189  -6.7000   0.9189   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   10   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   11    1 o  170.902   9.1086  3474.50  366.261  3484.70  517.960  3464.30  517.982  170.503   12.962  169.992   13.003 0.5106049 18.35966 
1 1 1    8   11    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   11    3 o  205.434   10.891  5031.60  526.453  5245.70  744.699  4817.70  744.336  208.828   15.206  199.908   15.899 8.920090 22.00054 
1 1 1    8   11    4 o  237.902   12.669  6766.55  709.117  6796.10  1002.87  6737.00  1002.82  236.915   18.062  235.851   18.145 1.064163 25.60286 
1 1 1    8   11    5 o  112.077   5.9878  1490.71  157.897  1356.60  223.187  1625.10  223.414  106.547   8.9539  116.791   8.1522 -10.24375 12.10906 
1 1 1    8   11    6 o   60.042   3.4257  427.359   48.369  466.100   68.439  388.700   68.368   62.612   4.6624   57.098   5.1253 5.514370 6.928688 
1 1 1    8   11    7 o  344.535   18.208 14390.43  1476.06 15714.90  2088.58 13068.80  2086.34  356.057   25.000  322.857   27.632 33.20047 37.26286 
1 1 1    8   11    8 o  125.399   6.6411  1868.15  195.949  2032.40  277.282  1704.30  276.946  130.477   9.0557  119.286   9.9221 11.19118 13.43331 
1 1 1    8   11    9 o  445.660   37.152 26279.30  3874.16 26279.30  3874.16   0.0000   0.0000  445.660   37.152  ?   ?  0.000000 37.15246 
1 1 1    8   11   10 o  161.507   8.5953  3108.95  326.625  3208.00  462.163  3010.10  461.674  163.333   12.068  158.091   12.468 5.242844 17.35224 
1 1 1    8   11   11 o  205.622   10.991  5065.55  531.727  4987.00  751.957  5144.10  751.995  202.440   15.857  205.720   15.596 -3.280121 22.24151 
1 1 1    8   11   12 o   64.842   3.7071  498.772   56.526  617.700   79.933  379.800   79.948   72.090   4.7216   56.275   6.1147 15.81509 7.725494 
1 1 1    8   11   13 o  335.847   18.033 13865.66  1424.86 13413.30  2011.32 14321.40  2018.83  322.941   26.612  334.609   25.748 -11.66876 37.02942 
1 1 1    8   11   14 o   80.842   4.5391  776.090   86.301  835.600  121.955  716.400  122.140   83.693   6.2153   77.381   6.7521 6.311951 9.177175 
1 1 1    8   11   15 o  165.803   12.792  3335.90  496.979  3335.90  496.979   0.0000   0.0000  165.803   12.792  ?   ?  0.000000 12.79249 
1 1 1    8   11   16 o   82.017   4.6140  799.162   88.997  886.200  125.781  711.900  125.942   86.175   6.2230   77.068   6.9967 9.107056 9.363772 
1 1 1    8   11   17 o  215.272   11.664  5601.70  590.696  6055.50  835.229  5147.60  835.512  221.579   16.072  203.362   17.571 18.21770 23.81336 
1 1 1    8   11   18 o  175.486   9.2962  3697.03  383.849  3351.00  542.596  4043.70  543.091  165.299   14.034  182.277   12.697 -16.97781 18.92493 
1 1 1    8   11   19 f  200.956   10.860  4876.37  513.412  4962.40  725.777  4790.20  726.371  200.480   15.450  196.777   15.765 3.703018 22.07320 
1 1 1    8   11   20 o  122.589   6.5622  1792.75  189.270  1713.70  267.493  1872.00  267.845  119.150   9.5884  124.679   9.1618 -5.529022 13.26182 
1 1 1    8   11   21 o  129.100   6.9867  1991.03  212.198  2136.80  300.063  1845.20  300.124  133.079   9.6133  123.386   10.398 9.692902 14.16083 
1 1 1    8   11   22 o   84.842   4.6854  856.100   93.504  904.700  132.234  807.500  132.234   86.942   6.4877   82.037   6.8899 4.904335 9.463665 
1 1 1    8   11   23 o   15.788   1.6335   29.761   6.0018   33.200   8.5364   26.400   8.4402   16.611   2.2328   14.738   2.5155 1.873426 3.363471 
1 1 1    8   11   24 o   90.021   4.9369  965.082  104.544  1031.30  147.867  898.900  147.827   92.720   6.8011   86.420   7.3126 6.300064 9.986434 
1 1 1    8   11   25 o   93.407   5.1232  1040.30  112.569  1041.50  159.243  1039.10  159.151   92.993   7.3108   92.884   7.3154 0.1089706 10.34223 
1 1 1    8   11   26 o   35.375   2.2926  148.611   19.048  156.300   27.007  141.000   26.869   36.188   3.1932   34.336   3.3569 1.852146 4.633074 
1 1 1    8   11   27 o   45.769   2.7680  248.930   29.774  256.900   42.160  241.000   42.055   46.356   3.8874   44.870   4.0115 1.485901 5.586094 
1 1 1    8   11   28 o   49.778   2.9849  294.756   34.923  290.700   49.425  298.800   49.352   49.235   4.2942   49.934   4.2252 -0.6985130 6.024306 
1 1 1    8   11   29 o   80.604   4.3692  777.268   82.850  839.200  117.294  715.600  117.043   83.290   6.0040   76.710   6.5234 6.580269 8.865782 
1 1 1    8   11   30 o   49.406   2.9810  290.907   34.615  293.000   48.876  288.800   49.030   49.352   4.2350   48.984   4.2818 0.3674812 6.022408 
1 1 1    8   11   31 o   58.513   3.4143  409.201   46.970  410.300   66.395  408.100   66.456   58.229   4.8736   58.066   4.8923 0.1627960 6.905530 
1 1 1    8   11   32 o   25.779   1.9938   79.215   12.043   81.200   16.969   77.200   17.094   25.983   2.8105   25.310   2.9132 0.6731071 4.047950 
1 1 1    8   11   33 f   68.622   3.9902  566.901   64.379  593.700   90.875  539.900   91.216   69.604   5.5759   66.213   5.8956 3.390289 8.114717 
1 1 1    8   11   34 o   73.067   4.1891  645.087   71.976  654.600  101.591  635.500  101.988   72.766   5.9649   71.623   6.0880 1.142647 8.523093 
1 1 1    8   11   35 o   35.832   2.4181  153.408   20.341  163.100   28.681  143.600   28.852   36.760   3.3406   34.410   3.6043 2.349415 4.914296 
1 1 1    8   11   36 o   34.482   2.2147  141.944   17.938  119.900   25.251  164.400   25.486   31.418   3.4610   36.973   2.9435 -5.555044 4.543456 
1 1 1    8   11   37 o   80.694   4.7004  799.053   89.178  838.200  125.871  759.600  126.363   81.173   6.6245   76.903   7.0365 4.270157 9.664145 
1 1 1    8   11   38 o   36.905   2.4424  163.413   21.164  194.800   29.924  132.000   29.936   40.094   3.1870   32.713   3.9558 7.381268 5.079859 
1 1 1    8   11   39 o   35.153   2.4123  148.623   19.903  168.500   28.096  128.600   28.199   37.181   3.2322   32.256   3.7735 4.924900 4.968603 
1 1 1    8   11   40 o   42.985   2.8249  224.103   28.514  256.700   40.231  191.200   40.420   45.559   3.7736   38.913   4.4807 6.645790 5.858048 
1 1 1    8   11   41 o   7.7937   1.8310   7.5386   3.3125   12.600   4.5631   1.9000   4.8163   10.095   1.9849   5.7586   2.3147 4.336692 3.049230 
1 1 1    8   11   42 o   30.291   2.2271  110.879   15.818  133.700   22.332   87.900   22.410   33.030   2.8924   26.412   3.6942 6.617971 4.691847 
1 1 1    8   11   43 o   22.471   1.9183   60.893   10.081   68.000   14.214   53.700   14.300   23.559   2.5984   20.773   3.0023 2.785637 3.970547 
1 1 1    8   11   44 o   7.5251   1.8475   7.0477   3.2587   12.100   4.5241   1.6000   4.6978   9.8680   2.0098   5.5955   2.2730 4.272539 3.034115 
1 1 1    8   11   45 o   11.883   1.7320   17.241   4.7172   20.500   6.6800   14.000   6.6623   12.843   2.2864   10.518   2.6760 2.325459 3.519763 
1 1 1    8   11   46 o   27.981   2.1044   95.160   13.802   99.000   19.494   91.300   19.546   28.152   2.9776   26.948   3.1299 1.204062 4.319969 
1 1 1    8   11   47 o   23.338   1.9711   66.308   10.761   79.600   15.185   52.900   15.251   25.328   2.5747   20.276   3.2986 5.051582 4.184468 
1 1 1    8   11   48 o   13.052   2.4490   21.600   7.2708   21.600   7.2708   0.0000   0.0000   13.052   2.4490  ?   ?  0.000000 2.448975 
1 1 1    8   11   49 o   28.289   3.1491  103.100   20.679  103.100   20.679   0.0000   0.0000   28.289   3.1491  ?   ?  0.000000 3.149131 
1 1 1    8   11   50 o   6.6602   2.1802   5.3000   3.9523   5.3000   3.9523   0.0000   0.0000   6.6602   2.1802  ?   ?  0.000000 2.180212 
1 1 1    8   11   51 o   7.6516   2.2727   7.4000   4.4054   7.4000   4.4054   0.0000   0.0000   7.6516   2.2727  ?   ?  0.000000 2.272704 
1 1 1    8   11   52 o   14.034   2.5451   25.700   8.1239   25.700   8.1239   0.0000   0.0000   14.034   2.5451  ?   ?  0.000000 2.545111 
1 1 1    8   11   53 o   5.1210   1.9919   2.3000   3.4603   2.3000   3.4603   0.0000   0.0000   5.1210   1.9919  ?   ?  0.000000 1.991915 
1 1 1    8   11   54 o   4.7539   1.9216   1.6000   3.3394   1.6000   3.3394   0.0000   0.0000   4.7539   1.9216  ?   ?  0.000000 1.921590 
1 1 1    8   11   55 o   4.5206   1.7692   1.8000   2.7428   1.8000   2.7428   0.0000   0.0000   4.5206   1.7692  ?   ?  0.000000 1.769211 
1 1 1    8   11   56 o   7.8587   2.5958   8.7000   5.5981   8.7000   5.5981   0.0000   0.0000   7.8587   2.5958  ?   ?  0.000000 2.595826 
1 1 1    8   12    0 o  403.394   31.681 20169.40  2975.00 20169.40  2975.00 20169.40  2975.00  403.394   31.681  403.394   31.681 -0.000000 0.000000 
1 1 1    8   12    1 o   47.152   2.8577  263.602   31.668  254.600   44.790  272.600   44.780   46.226   4.1474   47.859   3.9990 -1.633247 5.761365 
1 1 1    8   12    2 o  136.702   7.1338  2219.74  229.482  2454.70  324.819  1985.60  324.256  143.432   9.6464  128.753   10.764 14.67996 14.45390 
1 1 1    8   12    3 o  144.510   7.7341  2482.60  262.963  2483.30  371.906  2481.90  371.866  144.025   11.019  143.984   11.021 0.4113770E-01 15.58456 
1 1 1    8   12    4 o  135.989   7.2957  2197.80  233.422  2140.60  330.115  2255.00  330.103  133.723   10.540  137.320   10.254 -3.597183 14.70487 
1 1 1    8   12    5 o  237.190   12.655  6739.01  706.238  6708.00  998.924  6770.00  998.619  234.880   18.151  236.004   18.056 -1.124527 25.60262 
1 1 1    8   12    6 o  315.888   16.683 12065.36  1239.98 13120.10  1754.55 11012.90  1752.64  326.099   22.931  297.310   25.202 28.78946 34.07281 
1 1 1    8   12    7 o  258.458   13.769  8030.53  837.322  8401.50  1184.43  7659.90  1183.88  262.173   19.267  249.833   20.242 12.34015 27.94519 
1 1 1    8   12    8 o  230.690   12.115  6380.16  657.648  5779.40  929.563  6982.20  930.548  217.417   18.276  239.824   16.533 -22.40755 24.64403 
1 1 1    8   12    9 o  181.722   9.5037  3942.17  406.396  4140.00  575.868  3745.90  573.601  185.298   13.248  176.021   13.914 9.276337 19.21217 
1 1 1    8   12   10 o  186.622   9.5688  4160.61  420.262  4501.40  596.223  3824.10  592.474  193.154   13.150  177.623   14.245 15.53113 19.38722 
1 1 1    8   12   11 o  106.861   5.8580  1357.33  147.255  1424.60  208.054  1289.80  208.447  109.155   8.1301  103.754   8.5851 5.400589 11.82384 
1 1 1    8   12   12 o  172.588   9.2648  3562.53  376.198  3573.70  531.287  3551.30  532.765  171.736   13.202  171.166   13.285 0.5699310 18.72959 
1 1 1    8   12   13 o  193.913   10.484  4514.17  478.292  4601.20  675.372  4426.60  677.448  194.192   14.841  190.301   15.202 3.891327 21.24514 
1 1 1    8   12   14 o   84.933   4.7346  856.882   94.579  916.800  133.663  796.800  133.846   87.634   6.5056   81.586   7.0157 6.047668 9.567813 
1 1 1    8   12   15 o   94.490   5.3136  1061.69  118.078  1152.40  166.767  970.500  167.211   98.168   7.2453   89.917   7.9573 8.250771 10.76164 
1 1 1    8   12   16 o   92.444   5.1267  1016.10  111.473  1044.30  157.359  987.700  157.937   93.411   7.1892   90.787   7.4323 2.624138 10.34039 
1 1 1    8   12   17 o   56.064   3.2662  373.000   43.053  408.700   60.886  337.300   60.886   58.577   4.4346   53.123   4.9092 5.453789 6.615610 
1 1 1    8   12   18 o   57.876   3.3623  397.558   45.754  416.500   64.692  378.600   64.719   59.104   4.6734   56.302   4.9173 2.801998 6.783819 
1 1 1    8   12   19 o  245.308   13.351  7343.29  770.473  7901.00  1089.53  6785.40  1089.70  250.787   18.529  231.043   20.176 19.74451 27.39331 
1 1 1    8   12   20 o   65.402   3.7257  507.910   57.301  528.000   81.017  487.800   81.056   66.513   5.1997   63.883   5.4246 2.629791 7.514160 
1 1 1    8   12   21 o   39.367   2.4760  183.911   22.900  206.100   32.413  161.800   32.357   41.604   3.3271   36.777   3.7796 4.827663 5.035403 
1 1 1    8   12   22 o  107.981   5.8595  1390.37  148.847  1436.00  210.566  1344.80  210.437  109.230   8.2240  105.613   8.5102 3.616333 11.83463 
1 1 1    8   12   23 o   77.962   4.3508  722.813   79.776  786.400  112.810  659.200  112.832   81.088   5.9327   74.100   6.5146 6.988785 8.811180 
1 1 1    8   12   24 o   81.411   4.5022  788.826   86.215  761.100  121.873  816.600  121.979   79.607   6.5411   82.524   6.3073 -2.916931 9.086704 
1 1 1    8   12   25 f  153.835   8.3513  2857.27  302.232  2895.80  427.300  2818.70  427.542  153.150   11.909  150.985   12.093 2.165726 16.97280 
1 1 1    8   12   26 o   76.796   4.2282  702.590   76.380  741.100  108.103  664.200  107.933   78.561   5.8697   74.273   6.2110 4.287346 8.545788 
1 1 1    8   12   27 o  158.237   8.6528  3053.70  322.091  3035.70  455.525  3071.70  455.487  155.092   12.546  156.079   12.463 -0.9870758 17.68364 
1 1 1    8   12   28 o   88.811   4.9089  944.993  102.549  895.000  145.016  995.000  145.036   85.695   7.2340   90.533   6.8347 -4.838188 9.952081 
1 1 1    8   12   29 f   79.204   4.4102  751.425   82.156  772.100  116.258  730.800  116.115   79.734   6.2240   77.497   6.4025 2.237526 8.929189 
1 1 1    8   12   30 o  126.782   6.9672  1968.14  207.782  2037.00  293.978  1899.40  293.718  126.725   9.9027  122.015   10.290 4.709793 14.28125 
1 1 1    8   12   31 o   23.542   1.8164   66.001   10.020   71.600   14.233   60.500   14.108   24.437   2.5018   22.407   2.7222 2.030539 3.697206 
1 1 1    8   12   32 o   58.322   3.3360  407.203   45.752  429.000   64.773  385.500   64.634   59.490   4.6479   56.288   4.9120 3.201668 6.762408 
1 1 1    8   12   33 o   45.049   2.6697  242.266   28.273  210.900   39.867  274.000   40.101   41.699   4.1019   47.717   3.5852 -6.017071 5.447832 
1 1 1    8   12   34 o   81.373   4.6448  804.315   88.881  835.300  125.566  773.200  125.827   81.817   6.5543   78.503   6.8566 3.314629 9.485345 
1 1 1    8   12   35 o   62.657   3.4506  472.163   50.857  425.400   71.554  519.900   72.296   58.776   5.2095   65.249   4.7242 -6.472420 7.032544 
1 1 1    8   12   36 o   47.226   2.9138  267.681   32.336  272.600   45.588  262.700   45.872   47.280   4.1246   46.367   4.2364 0.9127731 5.912663 
1 1 1    8   12   37 f   26.340   2.0393   82.993   12.585   90.400   17.747   75.500   17.850   27.350   2.7868   24.897   3.1036 2.453176 4.171156 
1 1 1    8   12   38 o   37.844   2.5474  172.166   22.632  192.300   31.915  151.800   32.099   39.724   3.4362   35.083   3.9429 4.641407 5.230103 
1 1 1    8   12   39 o   5.7358   1.7095   3.9592   2.4894   6.4000   3.4796   1.4000   3.5630   7.2140   1.9818   4.9693   1.9932 2.244720 2.810740 
1 1 1    8   12   40 o   30.520   2.2517  112.215   16.113  136.600   22.734   87.600   22.840   33.479   2.9044   26.457   3.7619 7.022451 4.752622 
1 1 1    8   12   41 o   41.714   2.7104  211.456   26.553  264.500   37.531  158.300   37.571   46.273   3.4599   35.099   4.6474 11.17432 5.793906 
1 1 1    8   12   42 o   9.6757   1.7234   11.501   3.7933   12.500   5.2383   10.400   5.5003   10.001   2.2701   9.1307   2.4847 0.8701630 3.365599 
1 1 1    8   12   43 o   34.079   2.3497  140.762   18.793  142.800   26.499  138.700   26.656   33.879   3.3564   33.346   3.4343 0.5333214 4.802126 
1 1 1    8   12   44 o   22.419   1.9394   60.724   10.166   67.300   14.297   54.000   14.457   23.395   2.6337   20.788   3.0347 2.607225 4.018171 
1 1 1    8   12   45 o   5.5434   1.7302   3.6554   2.5117   6.2000   3.4540   0.8000   3.6589   7.0796   1.9856   4.7912   1.9825 2.288454 2.805903 
1 1 1    8   12   46 o   31.409   2.2892  120.481   16.861  136.900   23.787  103.900   23.905   33.059   3.0827   28.444   3.6427 4.614767 4.772016 
1 1 1    8   12   47 o   27.278   3.0396   94.000   19.246   94.000   19.246   0.0000   0.0000   27.278   3.0396  ?   ?  0.000000 3.039616 
1 1 1    8   12   48 o   21.268   2.7461   57.200   13.469   57.200   13.469   0.0000   0.0000   21.268   2.7461  ?   ?  0.000000 2.746122 
1 1 1    8   12   49 o   11.766   2.5337   17.800   6.8317   17.800   6.8317   0.0000   0.0000   11.766   2.5337  ?   ?  0.000000 2.533733 
1 1 1    8   12   50 o   10.682   2.4327   14.700   5.9988   14.700   5.9988   0.0000   0.0000   10.682   2.4327  ?   ?  0.000000 2.432699 
1 1 1    8   12   51 o   4.9919   1.8310   2.5000   2.8260   2.5000   2.8260   0.0000   0.0000   4.9919   1.8310  ?   ?  0.000000 1.830995 
1 1 1    8   12   52 o   5.9352   2.2367   3.5000   4.2702   3.5000   4.2702   0.0000   0.0000   5.9352   2.2367  ?   ?  0.000000 2.236663 
1 1 1    8   12   53 o   10.981   2.5638   16.400   6.5271   16.400   6.5271   0.0000   0.0000   10.981   2.5638  ?   ?  0.000000 2.563783 
1 1 1    8   12   54 o   10.291   2.5536   14.800   6.1760   14.800   6.1760   0.0000   0.0000   10.291   2.5536  ?   ?  0.000000 2.553627 
1 1 1    8   12   55 o   9.3086   2.6538   12.500   6.1175   12.500   6.1175   0.0000   0.0000   9.3086   2.6538  ?   ?  0.000000 2.653768 
1 1 1    8   12   56 o   6.1943   2.2175   4.8000   4.1122   4.8000   4.1122   0.0000   0.0000   6.1943   2.2175  ?   ?  0.000000 2.217459 
1 1 1    8   13    0 o  190.766   14.746  4407.00  655.111  4407.00  655.111  4407.00  655.111  190.766   14.746  190.766   14.746 -0.000000 0.000000 
1 1 1    8   13    1 o  272.258   14.554  8914.24  932.298  8865.30  1318.30  8963.20  1318.64  268.924   20.925  270.468   20.806 -1.543915 29.50817 
1 1 1    8   13    2 o  377.432   20.441 17396.49  1815.00 17501.00  2566.90 17292.00  2566.69  372.047   29.459  369.645   29.655 2.402161 41.80003 
1 1 1    8   13    3 o  333.045   17.035 13422.32  1335.24 11336.80  1886.61 15515.40  1890.03  300.599   26.862  354.882   22.672 -54.28299 35.15082 
1 1 1    8   13    4 o  194.191   10.356  4502.84  473.166  4622.40  669.179  4383.30  669.137  195.697   14.586  190.419   15.003 5.277679 20.92430 
1 1 1    8   13    5 o  119.093   6.1656  1684.31  172.795  1432.50  244.108  1937.20  244.629  109.329   9.5514  127.482   8.1694 -18.15307 12.56851 
1 1 1    8   13    6 o  240.640   12.816  6953.04  725.614  6668.70  1025.88  7237.70  1026.47  233.440   18.769  243.599   17.972 -10.15924 25.98575 
1 1 1    8   13    7 f  236.080   12.344  6689.36  685.755  7410.00  970.439  5970.60  969.169  246.853   16.747  220.628   18.781 26.22487 25.16380 
1 1 1    8   13    8 o  164.523   8.4437  3226.33  326.933  3531.30  463.555  2924.50  461.160  171.466   11.516  155.684   12.654 15.78247 17.10930 
1 1 1    8   13    9 o  253.584   12.122  7708.83  725.860  9067.00  1030.20  6369.90  1022.88  273.037   16.049  227.204   19.246 45.83359 25.05988 
1 1 1    8   13   10 o  258.860   13.929  8105.30  848.299  8130.40  1199.75  8080.20  1199.61  256.064   20.000  255.227   20.066 0.8369598 28.33140 
1 1 1    8   13   11 o   54.964   3.2193  358.348   41.600  356.700   58.799  360.000   58.864   54.704   4.5944   54.960   4.5773 -0.2566147 6.485368 
1 1 1    8   13   12 o  246.111   13.044  7325.31  755.370  6994.20  1066.59  7658.50  1069.93  237.218   19.206  248.828   18.339 -11.60945 26.55486 
1 1 1    8   13   13 o  134.670   7.4091  2163.35  234.706  2371.70  331.608  1954.20  332.243  140.437   10.066  127.129   11.181 13.30784 15.04490 
1 1 1    8   13   14 o   96.017   5.2776  1096.05  119.201  1264.80  168.552  927.200  168.600  102.916   6.9769   87.826   8.2255 15.09071 10.78590 
1 1 1    8   13   15 o   18.028   1.7394   38.749   7.3132   37.900   10.338   39.600   10.347   17.728   2.5423   18.138   2.4809 -0.4096642 3.552191 
1 1 1    8   13   16 o   53.690   3.2287  342.126   40.744  375.600   57.555  308.500   57.686   56.149   4.3755   50.791   4.8694 5.357819 6.546420 
1 1 1    8   13   17 o   83.713   4.5891  832.744   90.370  913.700  127.847  751.900  127.758   87.475   6.2301   79.199   6.9003 8.275200 9.296638 
1 1 1    8   13   18 o   97.372   5.1313  1127.54  117.568  1347.00  166.364  908.600  166.170  106.205   6.6674   86.856   8.1990 19.34966 10.56778 
1 1 1    8   13   19 o  148.696   7.9273  2646.65  277.341  2561.60  391.878  2732.00  392.563  145.183   11.526  150.093   11.156 -4.910400 16.04023 
1 1 1    8   13   20 o   89.258   4.8780  947.556  102.424  918.700  144.739  976.500  144.958   87.531   7.0628   90.300   6.8492 -2.768364 9.838436 
1 1 1    8   13   21 o   45.665   2.7852  247.498   29.889  264.600   42.272  230.400   42.268   47.117   3.8326   43.909   4.1249 3.207756 5.630604 
1 1 1    8   13   22 o  116.283   6.3379  1614.70  173.372  1710.90  245.122  1518.40  245.249  119.103   8.7774  112.002   9.3587 7.101440 12.83078 
1 1 1    8   13   23 o   88.022   4.8474  922.596  100.366  950.400  141.949  894.800  141.930   88.982   6.8073   86.278   7.0275 2.704269 9.783935 
1 1 1    8   13   24 o  109.638   5.9708  1436.80  154.000  1443.30  217.758  1430.30  217.819  109.206   8.5116  108.696   8.5555 0.5100555 12.06824 
1 1 1    8   13   25 o   23.519   1.8916   65.801   10.417   66.200   14.719   65.400   14.743   23.499   2.7019   23.351   2.7250 0.1474876 3.837374 
1 1 1    8   13   26 o   73.983   4.1307  652.330   71.876  685.400  101.679  619.300  101.618   75.519   5.7449   71.692   6.0594 3.827560 8.349804 
1 1 1    8   13   27 o   58.279   3.4005  404.418   46.594  385.100   65.925  423.700   65.863   56.589   4.9844   59.428   4.7326 -2.839474 6.873312 
1 1 1    8   13   28 o   79.410   4.2832  753.974   80.020  836.500  113.287  671.800  113.044   83.234   5.8002   74.328   6.5062 8.905067 8.716235 
1 1 1    8   13   29 o  156.153   8.6962  3026.21  319.388  2981.00  451.720  3071.40  451.645  150.801   12.807  153.340   12.584 -2.538864 17.95465 
1 1 1    8   13   30 o   61.634   3.4749  453.959   50.367  489.100   71.323  419.000   71.138   63.650   4.7803   58.770   5.1789 4.879379 7.047862 
1 1 1    8   13   31 o   59.465   3.4025  423.102   47.579  451.700   67.344  394.600   67.230   61.089   4.7047   56.965   5.0503 4.123257 6.902159 
1 1 1    8   13   32 o   54.609   3.1931  356.876   40.997  368.700   58.036  345.100   57.920   55.153   4.4953   53.300   4.6485 1.853775 6.466547 
1 1 1    8   13   33 o   93.534   5.1241  1066.16  112.745  1138.90  159.603  993.700  159.287   95.309   7.1435   88.589   7.6908 6.720718 10.49659 
1 1 1    8   13   34 o   58.124   3.3758  405.830   46.134  414.900   65.314  396.800   65.172   58.276   4.7886   56.940   4.8947 1.335949 6.847548 
1 1 1    8   13   35 o   63.448   3.6715  485.621   54.773  480.200   77.253  491.100   77.670   62.386   5.2940   63.112   5.2596 -0.7259369 7.462525 
1 1 1    8   13   36 o   37.179   2.4878  165.516   21.715  192.200   30.672  138.700   30.748   39.880   3.2863   33.651   3.9443 6.228584 5.133937 
1 1 1    8   13   37 o   60.995   3.6345  451.683   52.111  479.500   73.587  423.700   73.807   62.066   5.0651   58.090   5.4441 3.975811 7.435952 
1 1 1    8   13   38 o   22.694   1.9152   61.739   10.167   83.000   14.366   40.400   14.392   26.250   2.3422   17.957   3.5200 8.293127 4.228066 
1 1 1    8   13   39 o   10.081   1.7204   12.427   3.9483   10.200   5.5554   14.700   5.6124   9.0773   2.5084   10.887   2.2573 -1.809254 3.374506 
1 1 1    8   13   40 o   16.260   1.7479   31.864   6.6058   35.300   9.3230   28.400   9.3611   16.983   2.3909   15.120   2.7220 1.863457 3.623007 
1 1 1    8   13   41 o   19.561   1.8442   46.108   8.4182   50.900   11.834   41.200   11.977   20.395   2.5103   18.213   2.8807 2.181885 3.820980 
1 1 1    8   13   42 o   34.727   2.3087  145.859   18.824  190.400   26.648  101.500   26.594   39.447   2.8807   28.193   4.1160 11.25444 5.023939 
1 1 1    8   13   43 o   11.831   1.6950   17.045   4.5999   16.900   6.3909   17.200   6.6261   11.625   2.4073   11.716   2.4726 -0.9136868E-01 3.450982 
1 1 1    8   13   44 o   37.460   2.5518  171.050   22.437  197.900   31.672  144.000   31.791   39.835   3.3996   33.534   4.1001 6.301548 5.326145 
1 1 1    8   13   45 o   10.438   1.7570   13.404   4.1766   14.100   5.7039   12.600   6.1325   10.584   2.3440   9.9781   2.5827 0.6063118 3.487749 
1 1 1    8   13   46 o   25.704   2.0509   80.407   12.344  101.000   17.433   59.700   17.482   28.573   2.6127   21.468   3.5742 7.105362 4.427320 
1 1 1    8   13   47 o   29.588   3.1878  111.400   21.921  111.400   21.921   0.0000   0.0000   29.588   3.1878  ?   ?  0.000000 3.187841 
1 1 1    8   13   48 o   32.823   3.4561  140.100   26.385  140.100   26.385   0.0000   0.0000   32.823   3.4561  ?   ?  0.000000 3.456101 
1 1 1    8   13   49 f   15.875   2.5973   32.100   9.3995   32.100   9.3995   0.0000   0.0000   15.875   2.5973  ?   ?  0.000000 2.597313 
1 1 1    8   13   50 o   16.124   2.6154   33.300   9.6167   33.300   9.6167   0.0000   0.0000   16.124   2.6154  ?   ?  0.000000 2.615409 
1 1 1    8   13   51 o   12.660   2.5045   20.800   7.2222   20.800   7.2222   0.0000   0.0000   12.660   2.5045  ?   ?  0.000000 2.504493 
1 1 1    8   13   52 f   17.926   2.6992   42.500   11.072   42.500   11.072   0.0000   0.0000   17.926   2.6992  ?   ?  0.000000 2.699237 
1 1 1    8   13   53 o   12.612   2.6392   21.800   7.6075   21.800   7.6075   0.0000   0.0000   12.612   2.6392  ?   ?  0.000000 2.639163 
1 1 1    8   13   54 o   6.6071   2.2323   5.6000   4.1366   5.6000   4.1366   0.0000   0.0000   6.6071   2.2323  ?   ?  0.000000 2.232312 
1 1 1    8   13   55 f   6.3240   2.2635   5.0000   4.2843   5.0000   4.2843   0.0000   0.0000   6.3240   2.2635  ?   ?  0.000000 2.263452 
1 1 1    8   13   56 o   12.121   3.1026   22.800   8.9177   22.800   8.9177   0.0000   0.0000   12.121   3.1026  ?   ?  0.000000 3.102579 
1 1 1    8   14    0 o  307.284   23.987 11614.40  1716.13 11614.40  1716.13 11614.40  1716.13  307.284   23.987  307.284   23.987 -0.000000 0.000000 
1 1 1    8   14    1 o  204.262   10.823  4988.60  520.183  4662.80  735.421  5314.80  735.879  195.991   16.031  209.683   14.960 -13.69214 21.92711 
1 1 1    8   14    2 o  357.324   19.765 15622.85  1661.26 14176.50  2351.05 17065.10  2347.72  332.633   30.263  367.841   27.222 -35.20853 40.70473 
1 1 1    8   14    3 o  236.408   12.530  6707.34  696.959  7182.90  985.970  6232.40  985.328  242.921   17.301  225.637   18.660 17.28371 25.44708 
1 1 1    8   14    4 o  211.672   11.152  5363.66  555.438  4949.00  785.093  5779.20  785.922  201.600   16.641  218.436   15.334 -16.83658 22.62828 
1 1 1    8   14    5 o  293.913   15.818 10466.44  1093.79 10378.40  1546.76 10554.50  1546.94  288.714   22.875  291.299   22.668 -2.585602 32.20392 
1 1 1    8   14    6 o  349.747   16.422 14824.95  1356.23 17845.90  1925.23 11848.90  1910.86  379.677   21.563  305.300   26.776 74.37732 34.37891 
1 1 1    8   14    7 o  134.604   7.5101  2158.24  237.756  1910.20  336.775  2404.70  335.702  125.845   11.458  141.618   10.105 -15.77327 15.27757 
1 1 1    8   14    8 o  342.164   18.071 14352.31  1454.90 16045.70  2059.00 12663.70  2056.08  356.330   24.621  313.316   28.089 43.01443 37.35223 
1 1 1    8   14    9 o  137.147   6.9095  2238.65  223.047  2620.30  315.892  1859.20  314.981  147.996   9.0831  124.187   10.850 23.80892 14.15008 
1 1 1    8   14   10 o  139.649   7.3733  2324.23  242.280  2198.60  341.861  2451.00  343.417  135.082   10.808  142.809   10.252 -7.726959 14.89672 
1 1 1    8   14   11 o  129.694   7.0202  2004.27  214.198  2092.20  302.801  1916.20  303.042  131.959   9.7873  126.145   10.262 5.813942 14.18127 
1 1 1    8   14   12 o  178.117   9.4558  3800.96  396.286  3654.90  559.686  3947.80  561.182  173.238   13.796  180.284   13.276 -7.045929 19.14600 
1 1 1    8   14   13 o  340.889   18.289 14405.84  1466.85 13467.80  2070.90 15350.30  2077.98  319.987   27.680  344.040   25.765 -24.05286 37.81565 
1 1 1    8   14   14 o   97.691   5.3485  1134.97  122.912  1266.00  173.812  1003.90  173.835  102.905   7.1982   91.406   8.1389 11.49901 10.86541 
1 1 1    8   14   15 o  195.075   10.457  4582.30  479.932  4509.10  677.807  4655.90  679.651  191.498   15.112  194.716   14.895 -3.217880 21.21844 
1 1 1    8   14   16 o  236.834   12.662  6812.88  705.574  7247.50  998.369  6379.20  997.296  241.173   17.653  225.321   18.919 15.85196 25.87613 
1 1 1    8   14   17 o  126.409   6.7964  1906.67  202.126  1996.30  285.973  1817.20  285.724  128.730   9.4743  122.660   9.9504 6.069542 13.73950 
1 1 1    8   14   18 o  109.867   5.9540  1438.09  153.893  1548.30  217.647  1327.90  217.626  113.574   8.1700  104.979   8.8619 8.595398 12.05334 
1 1 1    8   14   19 o  151.247   8.1469  2741.06  289.894  2941.50  409.961  2540.60  409.983  155.692   11.226  144.301   12.145 11.39145 16.53864 
1 1 1    8   14   20 o  114.507   6.2210  1564.17  167.579  1751.90  236.980  1376.40  237.005  120.720   8.3648  106.641   9.5117 14.07906 12.66659 
1 1 1    8   14   21 o  149.550   8.0706  2683.66  283.951  2876.40  401.557  2490.90  401.578  153.751   11.136  142.665   12.033 11.08640 16.39481 
1 1 1    8   14   22 o  130.736   7.0751  2046.56  217.605  2071.90  307.680  2021.20  307.801  130.629   10.052  128.963   10.190 1.666168 14.31378 
1 1 1    8   14   23 o   25.909   1.9759   79.797   11.998   80.800   16.994   78.800   16.941   25.983   2.8148   25.651   2.8448 0.3311901 4.001981 
1 1 1    8   14   24 f   67.022   3.8192  534.320   60.195  566.400   85.102  502.200   85.154   68.786   5.2796   64.683   5.6313 4.103508 7.719166 
1 1 1    8   14   25 o  175.651   9.6601  3770.01  399.135  3962.40  564.297  3577.40  564.627  177.224   13.588  167.697   14.398 9.526825 19.79717 
1 1 1    8   14   26 o   30.509   2.1368  110.638   15.297  118.200   21.650  103.100   21.616   31.448   2.9499   29.321   3.1725 2.126877 4.332056 
1 1 1    8   14   27 o   57.180   3.3034  389.371   44.413  423.200   62.837  355.600   62.784   59.406   4.5131   54.337   4.9473 5.068928 6.696577 
1 1 1    8   14   28 o  113.057   6.1567  1547.07  163.745  1619.30  231.697  1475.00  231.444  114.336   8.6456  108.829   9.0894 5.507042 12.54445 
1 1 1    8   14   29 o   29.961   2.1223  106.849   14.918  107.200   21.120  106.500   21.074   29.885   3.0350   29.786   3.0387 0.9922981E-01 4.294753 
1 1 1    8   14   30 o   54.079   3.0771  349.040   39.132  383.700   55.429  314.600   55.254   56.459   4.1874   50.978   4.6409 5.481739 6.250781 
1 1 1    8   14   31 o   28.168   2.0675   94.557   13.656   92.600   19.347   96.500   19.277   27.729   3.0027   28.327   2.9239 -0.5984764 4.191141 
1 1 1    8   14   32 o   83.916   4.7066  853.237   92.887  799.100  131.347  907.400  131.377   79.961   7.0277   85.541   6.5539 -5.580025 9.609447 
1 1 1    8   14   33 o   48.427   2.9278  280.646   33.322  282.300   47.187  279.000   47.064   48.238   4.1840   47.949   4.1990 0.2890778 5.927722 
1 1 1    8   14   34 o  131.295   7.4044  2184.31  228.626  2330.60  323.485  2038.30  323.167  131.194   10.531  121.333   11.414 9.861740 15.52942 
1 1 1    8   14   35 o   49.294   2.8982  291.376   33.587  310.800   47.591  272.100   47.408   50.566   4.0188   47.194   4.3013 3.372108 5.886617 
1 1 1    8   14   36 o   13.129   1.6453   20.759   4.9889   20.500   7.1836   21.000   6.9338   12.905   2.4469   13.087   2.3291 -0.1816730 3.378150 
1 1 1    8   14   37 o   25.844   2.0074   79.969   12.155   88.400   17.170   71.500   17.208   27.029   2.7274   24.194   3.0821 2.835312 4.115612 
1 1 1    8   14   38 o   8.0587   1.7372   8.0179   3.2084   10.200   4.4254   5.6000   4.6584   9.0673   2.1070   7.0574   2.3690 2.009940 3.170424 
1 1 1    8   14   39 o   23.393   1.9569   65.764   10.710   76.100   15.101   55.300   15.193   25.020   2.5936   21.134   3.1399 3.886076 4.072549 
1 1 1    8   14   40 o   4.1195   1.5387   1.5196   2.0121   6.1000   2.8100  -3.3000   2.8824   7.0161   1.7114   3.1401   1.4828 3.876047 2.264416 
1 1 1    8   14   41 o   21.936   1.8894   57.961   9.6917   59.700   13.662   56.200   13.751   22.051   2.6788   21.350   2.7946 0.7009754 3.871113 
1 1 1    8   14   42 o   12.836   1.6585   19.975   4.9095   26.000   6.9872   14.100   6.8999   14.578   2.0896   10.581   2.7399 3.996860 3.445797 
1 1 1    8   14   43 o   27.647   2.1608   92.500   13.994  112.400   19.717   72.300   19.866   30.258   2.7911   23.879   3.6381 6.379358 4.585367 
1 1 1    8   14   44 o   15.895   1.7955   30.631   6.6213   35.800   9.2500   25.200   9.4821   17.051   2.3607   14.095   2.9439 2.955702 3.773518 
1 1 1    8   14   45 o   24.023   2.0035   70.037   11.262   95.100   15.899   44.800   15.954   27.847   2.4425   18.511   3.7779 9.336208 4.498689 
1 1 1    8   14   46 o   23.846   2.0468   69.322   11.414   89.700   16.074   48.600   16.209   26.922   2.5593   19.240   3.7021 7.681717 4.500605 
1 1 1    8   14   47 o   12.838   2.4604   20.900   7.1873   20.900   7.1873   0.0000   0.0000   12.838   2.4604  ?   ?  0.000000 2.460356 
1 1 1    8   14   48 o   11.732   2.4590   17.600   6.5942   17.600   6.5942   0.0000   0.0000   11.732   2.4590  ?   ?  0.000000 2.458994 
1 1 1    8   14   49 o   22.490   2.8221   64.500   14.657   64.500   14.657   0.0000   0.0000   22.490   2.8221  ?   ?  0.000000 2.822145 
1 1 1    8   14   50 o   22.438   2.8496   64.800   14.758   64.800   14.758   0.0000   0.0000   22.438   2.8496  ?   ?  0.000000 2.849583 
1 1 1    8   14   51 o   26.860   3.1491   95.800   19.594   95.800   19.594   0.0000   0.0000   26.860   3.1491  ?   ?  0.000000 3.149083 
1 1 1    8   14   52 o   18.154   2.7532   44.100   11.432   44.100   11.432   0.0000   0.0000   18.154   2.7532  ?   ?  0.000000 2.753180 
1 1 1    8   14   53 f   5.5841   2.0932   3.3000   3.7304   3.3000   3.7304   0.0000   0.0000   5.5841   2.0932  ?   ?  0.000000 2.093216 
1 1 1    8   14   54 f   10.393   2.5410   15.200   6.1838   15.200   6.1838   0.0000   0.0000   10.393   2.5410  ?   ?  0.000000 2.540972 
1 1 1    8   14   55 o   8.7555   2.5949   11.000   5.7476   11.000   5.7476   0.0000   0.0000   8.7555   2.5949  ?   ?  0.000000 2.594860 
1 1 1    8   14   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   15    0 o   78.988   6.3656  752.300  116.957  752.300  116.957  752.300  116.957   78.988   6.3656   78.988   6.3656 -0.000000 0.000000 
1 1 1    8   15    1 o   85.211   4.6937  861.698   94.078  870.200  133.063  853.200  133.031   85.412   6.6498   84.560   6.7177 0.8525085 9.452382 
1 1 1    8   15    2 o  195.272   9.7247  4543.90  448.415  5357.00  635.016  3735.20  633.296  210.944   12.809  175.184   15.468 35.76003 20.08306 
1 1 1    8   15    3 o  105.398   5.7225  1319.75  141.890  1308.90  200.656  1330.60  200.669  104.625   8.1872  105.505   8.1169 -0.8800049 11.52881 
1 1 1    8   15    4 o  254.712   13.619  7827.29  816.193  7566.10  1153.93  8088.80  1154.61  247.436   19.918  256.273   19.220 -8.836533 27.67900 
1 1 1    8   15    5 o   69.581   3.8794  574.317   63.487  611.000   89.887  537.800   89.683   71.630   5.3529   67.134   5.7116 4.496193 7.827874 
1 1 1    8   15    6 o  177.183   8.1351  3733.85  340.367  4500.20  484.649  2988.00  478.121  193.738   10.634  157.108   13.005 36.63033 16.79921 
1 1 1    8   15    7 o  200.022   10.528  4797.15  495.526  4292.80  700.429  5302.50  701.130  187.303   15.990  209.007   14.292 -21.70451 21.44584 
1 1 1    8   15    8 o   56.162   3.2806  374.156   43.317  361.600   61.274  386.700   61.245   55.062   4.7594   56.974   4.5913 -1.911812 6.613027 
1 1 1    8   15    9 f  110.106   5.8247  1441.45  150.903  1743.80  213.568  1140.00  213.250  120.871   7.5198   97.285   9.4000 23.58659 12.03776 
1 1 1    8   15   10 o  152.902   8.2923  2793.03  298.277  2878.20  421.250  2707.40  422.407  154.357   11.643  149.557   12.064 4.800354 16.76555 
1 1 1    8   15   11 o  129.078   6.9708  1985.76  211.681  1989.70  299.046  1981.80  299.681  128.591   9.9251  128.324   9.9680 0.2671204 14.06663 
1 1 1    8   15   12 o  184.703   9.8314  4094.94  427.254  4790.00  604.366  3400.50  604.092  198.644   12.955  166.183   15.576 32.46136 20.25945 
1 1 1    8   15   13 o  155.923   8.4820  2909.78  311.122  3117.80  439.693  2701.20  440.293  160.464   11.684  148.983   12.634 11.48123 17.20908 
1 1 1    8   15   14 o  273.449   22.057  9548.50  1412.14  9548.50  1412.14   0.0000   0.0000  273.449   22.057  ?   ?  0.000000 22.05713 
1 1 1    8   15   15 o  142.848   7.6603  2438.90  257.452  2841.40  364.135  2036.60  364.048  153.552   10.099  129.300   12.063 24.25241 15.73198 
1 1 1    8   15   16 o   73.787   3.9299  646.292   68.227  760.100   96.640  533.200   96.335   79.895   5.1498   66.708   6.1861 13.18719 8.049091 
1 1 1    8   15   17 o   45.954   2.8145  250.604   30.394  278.000   42.981  223.200   42.987   48.316   3.7978   43.203   4.2696 5.113098 5.714255 
1 1 1    8   15   18 o   63.628   3.5045  480.500   52.452  540.000   74.304  421.400   74.053   67.333   4.7028   59.354   5.3408 7.978870 7.116198 
1 1 1    8   15   19 o   58.289   3.3293  403.296   45.635  442.000   64.583  364.700   64.493   60.901   4.5232   55.224   4.9999 5.676899 6.742290 
1 1 1    8   15   20 o  165.932   8.8698  3311.91  346.284  3636.40  489.827  2987.70  489.611  172.555   12.098  155.714   13.448 16.84010 18.08850 
1 1 1    8   15   21 o  124.609   6.7476  1856.70  197.808  1987.90  279.737  1725.50  279.748  128.238   9.3011  119.198   10.032 9.039818 13.68042 
1 1 1    8   15   22 o   73.670   4.1320  645.453   71.590  668.400  101.238  622.500  101.250   74.718   5.7830   72.051   6.0057 2.666351 8.337365 
1 1 1    8   15   23 o   49.344   2.9852  289.230   34.619  307.300   48.919  271.100   48.999   50.733   4.1190   47.590   4.4104 3.143524 6.034719 
1 1 1    8   15   24 o   73.214   3.9687  637.945   68.357  728.800   96.780  547.500   96.562   78.042   5.2828   67.421   6.1323 10.62098 8.094047 
1 1 1    8   15   25 o   32.169   2.1737  122.958   16.415  113.700   23.162  132.300   23.267   30.804   3.2324   33.284   2.9923 -2.480728 4.404822 
1 1 1    8   15   26 o   96.941   5.3594  1127.38  122.207  1168.00  172.766  1086.70  172.888   97.936   7.5282   94.329   7.8326 3.607811 10.86383 
1 1 1    8   15   27 o   74.103   4.1757  656.556   72.770  671.000  102.890  642.100  102.936   74.460   5.9001   72.785   6.0437 1.675011 8.446159 
1 1 1    8   15   28 o   35.579   2.3558  150.650   19.681  144.400   27.833  156.900   27.833   34.672   3.4451   36.181   3.2938 -1.509022 4.766367 
1 1 1    8   15   29 o  115.511   6.4056  1628.26  174.036  1638.60  246.051  1617.90  246.199  113.930   9.2251  113.148   9.2968 0.7819366 13.09705 
1 1 1    8   15   30 o   57.233   3.3465  391.848   45.031  392.400   63.781  391.300   63.586   56.888   4.7926   56.810   4.7844 0.7781219E-01 6.771993 
1 1 1    8   15   31 o   70.354   4.0018  595.495   66.208  565.600   93.625  625.400   93.639   67.821   5.9050   71.483   5.5920 -3.661682 8.132627 
1 1 1    8   15   32 o   96.844   5.4284  1146.50  123.637  1144.10  174.840  1148.90  174.859   94.993   7.8653   95.207   7.8477 -0.2145309 11.11075 
1 1 1    8   15   33 o   38.203   2.4580  174.290   22.056  179.800   31.222  168.800   31.163   38.594   3.4628   37.358   3.5762 1.236183 4.977987 
1 1 1    8   15   34 o   39.318   2.5128  184.794   23.207  189.000   32.845  180.600   32.796   39.524   3.5573   38.607   3.6404 0.9170914 5.089911 
1 1 1    8   15   35 o   23.016   1.8510   63.273   9.9746   66.300   14.170   60.300   14.043   23.435   2.6047   22.313   2.7217 1.122217 3.767250 
1 1 1    8   15   36 o   58.597   3.3763  415.077   46.520  437.600   65.897  392.700   65.682   59.519   4.7276   56.218   5.0000 3.300919 6.881153 
1 1 1    8   15   37 o   68.751   3.9262  578.569   63.476  614.700   89.870  542.600   89.668   69.706   5.5047   65.155   5.8918 4.550430 8.063209 
1 1 1    8   15   38 o   10.831   1.4550   14.175   3.6272   17.900   5.2614   10.800   5.0074   12.113   1.9020   9.3176   2.2917 2.795854 2.978230 
1 1 1    8   15   39 o   34.741   3.3988  148.700   27.525  148.700   27.525   0.0000   0.0000   34.741   3.3988  ?   ?  0.000000 3.398803 
1 1 1    8   15   40 f   34.074   2.3534  140.283   18.820  143.200   26.466  137.300   26.766   34.045   3.3350   33.275   3.4569 0.7691994 4.803325 
1 1 1    8   15   41 o   35.346   2.4252  151.360   20.120  163.800   28.385  138.800   28.522   36.371   3.3424   33.289   3.6905 3.082264 4.979124 
1 1 1    8   15   42 o   18.648   1.8314   41.985   7.9607   47.000   11.165   36.800   11.353   19.574   2.4706   17.157   2.9060 2.416945 3.814298 
1 1 1    8   15   43 o   19.463   1.8203   45.725   8.2685   60.500   11.684   30.900   11.703   22.295   2.2501   15.561   3.2879 6.733292 3.984109 
1 1 1    8   15   44 o   20.821   1.9468   52.536   9.4605   73.100   13.319   31.600   13.440   24.464   2.3339   15.569   3.7086 8.895319 4.381882 
1 1 1    8   15   45 o   11.658   1.8276   16.712   4.8657   25.800   6.7868   7.1000   6.9795   14.484   2.0409   8.0873   2.8896 6.396772 3.537644 
1 1 1    8   15   46 o   21.521   1.9350   56.394   9.7286   72.500   13.718   40.100   13.799   24.224   2.4310   17.529   3.4565 6.695778 4.225806 
1 1 1    8   15   47 o   13.547   2.5080   23.300   7.7276   23.300   7.7276   0.0000   0.0000   13.547   2.5080  ?   ?  0.000000 2.507960 
1 1 1    8   15   48 o   27.532   3.1082   97.400   19.853   97.400   19.853   0.0000   0.0000   27.532   3.1082  ?   ?  0.000000 3.108178 
1 1 1    8   15   49 o   17.835   2.6265   40.500   10.730   40.500   10.730   0.0000   0.0000   17.835   2.6265  ?   ?  0.000000 2.626497 
1 1 1    8   15   50 o   10.553   2.4103   14.400   5.8744   14.400   5.8744   0.0000   0.0000   10.553   2.4103  ?   ?  0.000000 2.410255 
1 1 1    8   15   51 o   20.240   2.7979   53.800   13.014   53.800   13.014   0.0000   0.0000   20.240   2.7979  ?   ?  0.000000 2.797852 
1 1 1    8   15   52 o   17.627   2.7350   41.900   11.015   41.900   11.015   0.0000   0.0000   17.627   2.7350  ?   ?  0.000000 2.735049 
1 1 1    8   15   53 o   5.3124   2.0330   2.8000   3.5623   2.8000   3.5623   0.0000   0.0000   5.3124   2.0330  ?   ?  0.000000 2.033033 
1 1 1    8   15   54 o   8.9491   2.5114   11.300   5.5236   11.300   5.5236   0.0000   0.0000   8.9491   2.5114  ?   ?  0.000000 2.511380 
1 1 1    8   15   55 f   8.3998   2.9299   10.200   7.1416   10.200   7.1416   0.0000   0.0000   8.3998   2.9299  ?   ?  0.000000 2.929880 
1 1 1    8   16    0 o  196.035   15.224  4675.20  694.945  4675.20  694.945  4675.20  694.945  196.035   15.224  196.035   15.224 -0.000000 0.000000 
1 1 1    8   16    1 o  232.666   12.443  6518.33  681.178  6710.60  963.620  6326.30  963.042  233.850   17.579  226.744   18.138 7.105911 25.25913 
1 1 1    8   16    2 o   47.215   2.6245  264.224   29.146  203.600   41.075  325.700   41.363   41.264   4.2776   52.382   3.3618 -11.11775 5.440556 
1 1 1    8   16    3 o  106.167   5.7576  1339.69  143.802  1400.50  203.382  1278.90  203.351  108.227   8.0151  103.329   8.4071 4.898689 11.61557 
1 1 1    8   16    4 o  197.311   10.531  4668.48  488.882  4735.40  692.522  4602.00  690.250  197.188   14.985  194.306   15.164 2.881760 21.31875 
1 1 1    8   16    5 o  224.402   12.047  6064.75  636.008  5970.60  899.472  6158.90  899.430  220.305   17.433  223.918   17.141 -3.612656 24.44786 
1 1 1    8   16    6 o  231.767   12.300  6476.83  670.743  5978.30  948.125  6976.30  949.024  219.811   18.437  238.367   16.971 -18.55606 25.05874 
1 1 1    8   16    7 o  114.382   6.1760  1556.57  166.194  1599.60  235.114  1513.60  234.954  115.533   8.6816  112.317   8.9326 3.215416 12.45634 
1 1 1    8   16    8 o  104.620   5.6826  1301.49  139.860  1207.00  197.787  1396.00  197.798  100.303   8.4288  108.036   7.8059 -7.733086 11.48810 
1 1 1    8   16    9 o  221.710   12.002  5931.60  625.988  6044.10  884.288  5818.60  886.276  221.418   17.044  217.011   17.442 4.406815 24.38720 
1 1 1    8   16   10 o  251.438   13.757  7682.98  813.731  8391.90  1150.24  6972.70  1151.34  259.612   18.893  235.138   20.955 24.47400 28.21446 
1 1 1    8   16   11 o  142.654   7.7360  2430.70  259.617  2676.30  367.043  2184.80  367.264  149.007   10.499  134.211   11.706 14.79512 15.72405 
1 1 1    8   16   12 o  108.583   5.9317  1403.57  151.514  1483.80  214.183  1323.20  214.364  111.244   8.2116  104.910   8.7325 6.334167 11.98691 
1 1 1    8   16   13 o  113.135   6.2483  1525.03  166.278  1710.60  234.979  1338.90  235.327  119.425   8.3856  105.320   9.5667 14.10464 12.72162 
1 1 1    8   16   14 o  151.452   8.2651  2746.02  294.469  3062.90  416.233  2428.50  416.650  159.104   11.149  141.083   12.641 18.02132 16.85496 
1 1 1    8   16   15 o  148.293   8.1472  2632.80  284.200  2825.40  401.454  2439.30  402.385  152.717   11.211  141.520   12.159 11.19754 16.53852 
1 1 1    8   16   16 o  213.612   11.173  5516.64  561.635  6232.70  794.860  4802.70  793.684  224.990   15.048  196.064   17.321 28.92641 22.94478 
1 1 1    8   16   17 o   63.555   3.6092  479.546   53.942  531.700   76.324  427.500   76.246   66.790   4.8730   59.769   5.4627 7.021114 7.320293 
1 1 1    8   16   18 o  145.671   6.8483  2527.53  235.568  3217.60  333.952  1844.10  332.342  163.709   8.6696  122.930   11.586 40.77865 14.47026 
1 1 1    8   16   19 o   54.510   3.1020  352.633   39.763  392.800   56.351  312.800   56.116   57.427   4.1843   51.145   4.6990 6.282101 6.292009 
1 1 1    8   16   20 o  145.849   7.9046  2552.11  271.218  2756.90  383.503  2347.20  383.618  150.565   10.859  138.480   11.845 12.08492 16.06983 
1 1 1    8   16   21 o   27.930   2.0375   92.686   13.345   99.800   18.891   85.600   18.854   28.912   2.8023   26.725   3.0419 2.186840 4.135930 
1 1 1    8   16   22 o  130.779   7.0743  2052.03  217.655  2030.60  307.647  2073.50  307.973  129.003   10.182  130.407   10.079 -1.404770 14.32722 
1 1 1    8   16   23 o   71.703   4.0580  612.028   68.426  632.600   96.704  591.400   96.835   72.622   5.6845   70.159   5.8998 2.462814 8.192807 
1 1 1    8   16   24 o  232.842   13.080  6818.01  716.241  6954.90  1012.53  6680.90  1013.31  227.663   19.008  222.444   19.488 5.219238 27.22287 
1 1 1    8   16   25 o  135.646   7.4236  2229.92  236.884  2251.80  334.856  2208.00  335.152  134.523   10.628  133.121   10.754 1.401855 15.11945 
1 1 1    8   16   26 o  111.404   6.1326  1497.72  160.706  1617.80  227.251  1377.60  227.294  114.705   8.4495  105.399   9.2254 9.305771 12.51002 
1 1 1    8   16   27 o   61.951   3.5611  458.092   51.876  454.200   73.293  462.000   73.435   61.339   5.1066   61.876   5.0705 -0.5374146 7.196307 
1 1 1    8   16   28 o   35.057   2.3060  146.274   18.983  161.300   26.869  131.300   26.823   36.703   3.1301   33.026   3.4925 3.677971 4.689907 
1 1 1    8   16   29 o   24.373   1.9164   70.782   10.941   67.600   15.430   74.000   15.515   23.688   2.8136   24.819   2.6905 -1.130611 3.892941 
1 1 1    8   16   30 o   45.220   2.6599  243.882   28.277  275.100   40.099  213.000   39.883   47.852   3.5745   41.956   4.0771 5.896343 5.422168 
1 1 1    8   16   31 o   98.637   5.4892  1188.15  127.348  1267.00  180.156  1109.40  180.039  100.321   7.6629   93.386   8.2492 6.935028 11.25913 
1 1 1    8   16   32 o   48.925   2.9682  286.511   34.130  278.800   48.302  294.200   48.232   47.899   4.3168   49.255   4.1866 -1.355503 6.013570 
1 1 1    8   16   33 o   57.530   3.3173  397.495   44.875  431.600   63.514  363.500   63.411   59.522   4.5534   54.426   4.9895 5.095833 6.754950 
1 1 1    8   16   34 o   38.068   2.4664  173.298   22.051  174.000   31.223  172.600   31.147   37.896   3.5298   37.740   3.5363 0.1559258 4.996493 
1 1 1    8   16   35 o   13.946   1.6146   23.365   5.2187   25.400   7.4457   21.400   7.3166   14.439   2.2577   13.195   2.4380 1.244005 3.322790 
1 1 1    8   16   36 o   55.786   3.2404  376.230   42.503  412.200   60.167  340.400   60.049   57.821   4.4405   52.260   4.9241 5.561115 6.630597 
1 1 1    8   16   37 o   34.202   2.1119  140.081   16.973  165.400   24.108  115.200   23.899   36.994   2.7801   30.664   3.3553 6.329819 4.357396 
1 1 1    8   16   38 o   13.997   1.7524   23.686   5.6654   19.400   8.0956   27.800   7.9310   12.442   2.8206   15.068   2.3020 -2.626145 3.640726 
1 1 1    8   16   39 o   13.764   1.7151   22.915   5.4536   20.800   7.8369   24.900   7.5938   12.904   2.6604   14.222   2.3428 -1.318170 3.544894 
1 1 1    8   16   40 o   25.697   1.7166   79.112   10.356   98.400   14.799   60.600   14.498   28.542   2.2130   22.180   2.8328 6.362452 3.594772 
1 1 1    8   16   41 o   13.097   1.7042   20.805   5.1456   20.900   7.1151   20.700   7.4504   12.968   2.4123   12.875   2.5409 0.9331703E-01 3.503586 
1 1 1    8   16   42 o   24.795   1.9855   74.170   11.527   81.600   16.281   66.700   16.324   25.785   2.7148   23.164   3.0591 2.620605 4.090000 
1 1 1    8   16   43 o   26.505   2.0778   84.970   12.900  100.700   18.203   69.100   18.285   28.635   2.7250   23.409   3.4078 5.225723 4.363371 
1 1 1    8   16   44 o   35.223   2.4766  151.707   20.468  182.000   28.895  121.200   28.997   38.144   3.2386   30.544   4.1259 7.599569 5.245166 
1 1 1    8   16   45 o   19.215   1.8185   44.811   8.1529   57.100   11.525   32.500   11.535   21.548   2.3005   15.879   3.1871 5.668530 3.930692 
1 1 1    8   16   46 o   25.844   2.0967   81.670   12.685  102.900   17.889   60.200   17.990   28.737   2.6666   21.394   3.6946 7.343250 4.556436 
1 1 1    8   16   47 o   10.073   2.4440   13.000   5.7542   13.000   5.7542   0.0000   0.0000   10.073   2.4440  ?   ?  0.000000 2.444042 
1 1 1    8   16   48 o   24.559   2.9206   77.000   16.605   77.000   16.605   0.0000   0.0000   24.559   2.9206  ?   ?  0.000000 2.920595 
1 1 1    8   16   49 o   20.046   2.7055   51.300   12.480   51.300   12.480   0.0000   0.0000   20.046   2.7055  ?   ?  0.000000 2.705526 
1 1 1    8   16   50 o   25.474   3.0246   84.900   17.838   84.900   17.838   0.0000   0.0000   25.474   3.0246  ?   ?  0.000000 3.024616 
1 1 1    8   16   51 o   12.651   2.5073   21.100   7.2251   21.100   7.2251   0.0000   0.0000   12.651   2.5073  ?   ?  0.000000 2.507277 
1 1 1    8   16   52 o   7.7670   2.3240   8.0000   4.5939   8.0000   4.5939   0.0000   0.0000   7.7670   2.3240  ?   ?  0.000000 2.323965 
1 1 1    8   16   53 o   8.2021   2.3642   9.2000   4.8302   9.2000   4.8302   0.0000   0.0000   8.2021   2.3642  ?   ?  0.000000 2.364240 
1 1 1    8   16   54 o   12.870   2.9188   24.400   8.6663   24.400   8.6663   0.0000   0.0000   12.870   2.9188  ?   ?  0.000000 2.918769 
1 1 1    8   16   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   17    0 o  220.997   17.268  5973.50  888.504  5973.50  888.504  5973.50  888.504  220.997   17.268  220.997   17.268 -0.000000 0.000000 
1 1 1    8   17    1 o  182.464   9.6902  3986.84  416.019  3705.50  588.120  4268.60  588.560  174.404   14.410  187.655   13.370 -13.25124 19.65664 
1 1 1    8   17    2 o   58.714   3.3950  408.949   46.869  409.800   66.308  408.100   66.258   58.632   4.8323   58.509   4.8392 0.1233978 6.838762 
1 1 1    8   17    3 o  183.241   9.0155  4004.45  390.097  3220.50  550.876  4793.00  552.489  162.447   14.514  199.437   11.784 -36.98984 18.69505 
1 1 1    8   17    4 o  311.851   15.045 11809.68  1107.94 14480.10  1569.39  9156.40  1564.35  341.607   19.537  267.193   25.088 74.41403 31.79733 
1 1 1    8   17    5 o  240.561   12.659  6990.96  716.545  7746.50  1014.02  6237.40  1012.68  250.894   17.220  223.819   19.351 27.07579 25.90347 
1 1 1    8   17    6 f  206.717   9.8647  5109.56  481.529  6299.80  682.205  3927.80  679.770  228.260   12.707  178.653   16.293 49.60759 20.66211 
1 1 1    8   17    7 o   33.604   2.1880  133.980   17.268  154.700   24.492  113.500   24.349   36.061   2.9007   30.794   3.4055 5.267178 4.473467 
1 1 1    8   17    8 o   43.145   2.6862  220.856   27.232  240.300   38.506  201.400   38.518   44.923   3.6617   41.059   4.0245 3.864201 5.441006 
1 1 1    8   17    9 o  221.140   12.061  5911.88  627.448  6326.50  886.777  5496.20  887.914  226.406   16.705  210.178   18.066 16.22781 24.60556 
1 1 1    8   17   10 f   90.196   5.0221  967.093  106.539  1048.40  150.537  885.500  150.802   93.659   6.8542   85.923   7.5079 7.736481 10.16609 
1 1 1    8   17   11 o   94.530   4.9359  1061.87  109.796  1304.90  155.461  820.000  155.090  104.619   6.3226   82.544   8.0596 22.07514 10.24361 
1 1 1    8   17   12 o  222.432   12.081  5992.29  632.147  6863.40  893.868  5120.70  894.113  235.816   16.150  201.862   18.980 33.95450 24.92121 
1 1 1    8   17   13 o   82.914   4.6008  816.961   89.727  958.200  126.888  675.700  126.897   89.624   6.0307   74.990   7.2570 14.63443 9.435698 
1 1 1    8   17   14 o  114.485   6.2670  1562.19  168.779  1712.10  238.579  1412.00  238.799  119.409   8.5171  108.164   9.4442 11.24430 12.71744 
1 1 1    8   17   15 o   83.810   4.6715  834.965   92.083  925.600  130.178  744.200  130.272   88.022   6.3048   78.746   7.0816 9.275932 9.481525 
1 1 1    8   17   16 o  121.317   6.3422  1754.82  181.057  1986.70  256.291  1523.80  255.817  128.627   8.4856  112.259   9.7472 16.36832 12.92336 
1 1 1    8   17   17 o   75.329   4.2235  674.305   74.824  727.000  105.812  621.600  105.823   78.014   5.7850   72.024   6.2851 5.990219 8.542193 
1 1 1    8   17   18 o  122.267   6.3279  1783.81  182.071  2082.70  257.742  1486.10  257.233  131.651   8.3339  110.680   9.9485 20.97012 12.97791 
1 1 1    8   17   19 o  150.106   8.1057  2704.66  286.243  2728.10  404.749  2681.20  404.869  149.507   11.554  148.163   11.667 1.344360 16.41983 
1 1 1    8   17   20 o   71.038   3.9840  599.902   66.561  585.800   93.972  614.100   94.292   69.938   5.7408   71.639   5.6190 -1.700790 8.033087 
1 1 1    8   17   21 o   71.817   4.1197  613.642   69.571  648.700   98.191  578.300   98.588   73.598   5.6943   69.394   6.0777 4.203674 8.328441 
1 1 1    8   17   22 o  188.937   10.346  4361.31  459.823  4375.20  648.964  4347.30  651.620  185.940   14.906  185.244   15.026 0.6964569 21.16517 
1 1 1    8   17   23 o  147.765   8.1455  2645.49  283.120  2711.00  399.659  2579.50  401.130  147.718   11.549  143.843   11.917 3.875824 16.59529 
1 1 1    8   17   24 o   53.764   3.1615  343.843   39.961  356.400   56.528  331.300   56.497   54.548   4.4268   52.549   4.5993 1.999043 6.383572 
1 1 1    8   17   25 o  125.998   6.6368  1919.49  196.765  2286.80  278.443  1553.10  278.094  136.441   8.6875  111.195   10.724 25.24646 13.80142 
1 1 1    8   17   26 o   61.390   3.5174  449.569   50.777  495.200   71.833  404.000   71.785   64.172   4.7746   57.794   5.3197 6.378124 7.148170 
1 1 1    8   17   27 o   51.298   3.0521  313.737   36.804  331.000   52.068  296.500   52.029   52.465   4.2390   49.580   4.4928 2.884739 6.176942 
1 1 1    8   17   28 o   59.326   3.4489  420.752   48.107  433.500   68.027  408.000   68.040   59.865   4.8540   58.019   5.0156 1.845638 6.979806 
1 1 1    8   17   29 o   44.384   2.7455  235.053   28.634  245.600   40.489  224.500   40.499   45.153   3.8337   43.111   4.0248 2.042011 5.558397 
1 1 1    8   17   30 o   77.557   4.3648  725.825   79.612  812.800  112.604  638.900  112.572   81.380   5.8998   71.689   6.7286 9.690292 8.948805 
1 1 1    8   17   31 o   71.840   4.0718  622.372   68.790  598.900   97.227  645.900   97.341   69.638   5.9703   72.456   5.7362 -2.818115 8.279387 
1 1 1    8   17   32 o   30.337   2.1296  109.790   15.159  112.900   21.472  106.700   21.404   30.612   3.0093   29.734   3.0938 0.8779678 4.315918 
1 1 1    8   17   33 o   67.179   3.8226  544.928   60.388  562.400   85.580  527.600   85.225   67.512   5.4138   65.289   5.5816 2.222496 7.775827 
1 1 1    8   17   34 o   39.963   2.5174  191.112   23.634  201.600   33.486  180.700   33.363   40.797   3.5101   38.551   3.7108 2.246189 5.107873 
1 1 1    8   17   35 o   19.433   1.8029   45.227   8.1791   42.800   11.633   47.600   11.502   18.730   2.7090   19.813   2.5151 -1.082874 3.696509 
1 1 1    8   17   36 o   44.659   2.7597  240.228   28.960  247.300   41.021  233.200   40.891   44.877   3.9101   43.520   4.0246 1.356339 5.611269 
1 1 1    8   17   37 o   11.904   1.5573   17.118   4.2726   20.200   6.1819   14.300   5.9119   12.844   2.1117   10.720   2.3957 2.123497 3.193579 
1 1 1    8   17   38 o   85.188   4.9711  921.611   99.564  955.200  140.888  888.100  140.723   83.600   7.2072   80.114   7.5269 3.485809 10.42103 
1 1 1    8   17   39 o   16.831   1.6186   34.040   6.3537   39.800   9.1168   28.600   8.8598   18.094   2.1775   15.205   2.5585 2.889119 3.359635 
1 1 1    8   17   40 o   5.4510   1.6091   3.5945   2.2139   3.1000   3.5826   3.9000   2.8158   5.6428   2.0628   5.7671   1.8362 -0.1243296 2.761673 
1 1 1    8   17   41 f   13.051   1.4680   20.527   4.4456   26.200   6.4201   15.300   6.1620   14.679   1.8966   11.052   2.4275 3.626304 3.080507 
1 1 1    8   17   42 o   27.228   2.0772   89.576   13.255   91.800   18.638   87.300   18.854   27.262   2.9419   26.528   3.0663 0.7334938 4.249331 
1 1 1    8   17   43 o   23.367   1.9333   65.993   10.572   65.400   14.870   66.600   15.033   22.977   2.7984   23.188   2.8023 -0.2112160 3.960287 
1 1 1    8   17   44 o   9.3894   1.7936   10.924   3.8318   11.200   5.2155   10.600   5.6482   9.4219   2.3516   9.1752   2.5267 0.2466345 3.451712 
1 1 1    8   17   45 o   17.702   1.7860   38.077   7.3638   43.100   10.387   33.000   10.442   18.639   2.4167   16.119   2.8473 2.519875 3.734687 
1 1 1    8   17   46 o   7.3759   1.9000   6.8335   3.3296   10.200   4.4851   2.7000   4.9697   8.9760   2.1452   6.0176   2.3733 2.958364 3.199198 
1 1 1    8   17   47 o   17.237   2.5894   37.600   10.214   37.600   10.214   0.0000   0.0000   17.237   2.5894  ?   ?  0.000000 2.589377 
1 1 1    8   17   48 o   16.740   2.5933   35.600   9.9196   35.600   9.9196   0.0000   0.0000   16.740   2.5933  ?   ?  0.000000 2.593316 
1 1 1    8   17   49 o   30.249   3.3143  120.100   23.286  120.100   23.286   0.0000   0.0000   30.249   3.3143  ?   ?  0.000000 3.314289 
1 1 1    8   17   50 o   6.0396   2.0824   4.2000   3.6027   4.2000   3.6027   0.0000   0.0000   6.0396   2.0824  ?   ?  0.000000 2.082416 
1 1 1    8   17   51 o   8.8450   2.4001   10.400   5.1407   10.400   5.1407   0.0000   0.0000   8.8450   2.4001  ?   ?  0.000000 2.400119 
1 1 1    8   17   52 o   5.2975   1.9239   3.1000   3.1089   3.1000   3.1089   0.0000   0.0000   5.2975   1.9239  ?   ?  0.000000 1.923866 
1 1 1    8   17   53 o   22.809   3.1405   76.000   16.466   76.000   16.466   0.0000   0.0000   22.809   3.1405  ?   ?  0.000000 3.140511 
1 1 1    8   17   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   17   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   18    0 o   96.494   7.6482  1124.00  171.751  1124.00  171.751  1124.00  171.751   96.494   7.6482   96.494   7.6482 -0.000000 0.000000 
1 1 1    8   18    1 o   82.968   4.5250  817.338   88.318  784.900  124.497  850.200  125.308   81.045   6.5617   84.403   6.3334 -3.357849 9.119621 
1 1 1    8   18    2 o   40.732   2.5304  196.808   24.218  185.600   34.038  208.300   34.466   39.440   3.6979   41.821   3.5229 -2.380684 5.107369 
1 1 1    8   18    3 o   31.312   2.1719  116.386   15.960  128.700   22.583  104.100   22.558   32.866   2.9410   29.489   3.2958 3.376871 4.417196 
1 1 1    8   18    4 o  255.722   12.476  7884.02  753.339  9643.50  1067.01  6135.20  1063.77  280.435   16.182  220.867   20.635 59.56834 26.22343 
1 1 1    8   18    5 o  144.478   6.8868  2480.78  234.954  3034.90  333.022  1931.60  331.534  159.214   8.8934  126.333   11.231 32.88165 14.32545 
1 1 1    8   18    6 o  172.781   9.2608  3577.67  376.466  3739.30  532.459  3416.10  532.347  175.436   12.944  167.402   13.584 8.033295 18.76406 
1 1 1    8   18    7 o  226.095   12.294  6185.02  653.897  6927.60  924.521  5441.70  924.981  237.002   16.625  208.562   18.990 28.43916 25.23883 
1 1 1    8   18    8 o   78.308   4.3674  728.309   80.439  798.600  113.750  658.000  113.765   81.819   5.9278   74.131   6.5670 7.687836 8.846674 
1 1 1    8   18    9 o  107.584   5.0923  1371.97  129.368  1872.20  183.430  876.900  182.482  125.558   6.1868   85.150   9.2230 40.40776 11.10582 
1 1 1    8   18   10 o  144.283   7.8520  2488.57  266.512  2678.70  376.684  2298.00  377.125  148.914   10.785  137.582   11.720 11.33229 15.92722 
1 1 1    8   18   11 o   32.752   2.2100  127.328   16.992  141.200   24.093  113.600   23.968   34.428   2.9934   30.810   3.3483 3.617479 4.491223 
1 1 1    8   18   12 o  170.900   9.1799  3505.48  369.104  4127.40  522.021  2883.70  521.961  184.430   12.053  153.009   14.625 31.42041 18.95119 
1 1 1    8   18   13 o  118.839   6.5052  1684.11  181.856  1785.20  256.974  1582.70  257.393  121.825   8.9965  114.517   9.6072 7.307938 13.16191 
1 1 1    8   18   14 o   74.171   3.9565  653.097   69.045  804.900   97.791  502.200   97.499   82.234   5.0606   64.672   6.4713 17.56152 8.215063 
1 1 1    8   18   15 o   16.622   1.7518   33.002   6.7723   35.800   9.4909   30.100   9.6665   17.239   2.3962   15.736   2.6986 1.503838 3.608937 
1 1 1    8   18   16 o   84.500   4.6425  848.994   92.280  871.500  130.668  826.600  130.339   85.328   6.5348   83.058   6.7027 2.269798 9.361029 
1 1 1    8   18   17 o  161.238   8.6449  3123.71  327.947  3697.60  463.864  2550.20  463.709  174.414   11.324  143.664   13.840 30.74962 17.88257 
1 1 1    8   18   18 o  128.513   5.7715  1963.65  175.143  2582.70  248.458  1352.20  246.929  147.109   7.1524  105.456   10.037 41.65284 12.32476 
1 1 1    8   18   19 f  116.747   6.1308  1627.73  168.422  1819.60  238.476  1436.80  237.894  122.900   8.2653  108.832   9.3476 14.06886 12.47775 
1 1 1    8   18   20 o  185.044   9.5462  4148.18  415.704  4804.40  588.580  3495.00  587.212  197.292   12.701  166.658   15.085 30.63385 19.71991 
1 1 1    8   18   21 o  156.715   8.4476  2968.64  311.457  3190.40  440.625  2747.20  440.307  160.809   11.684  148.604   12.669 12.20518 17.23368 
1 1 1    8   18   22 o  127.253   6.5582  1945.06  196.398  2240.40  278.145  1651.40  277.353  135.730   8.7245  115.791   10.250 19.93866 13.45997 
1 1 1    8   18   23 f   70.596   3.9646  593.924   65.823  639.900   93.114  548.000   93.062   72.997   5.4410   67.417   5.9053 5.580467 8.029773 
1 1 1    8   18   24 o   34.014   2.2891  137.550   18.279  137.800   25.837  137.300   25.864   33.924   3.2657   33.860   3.2758 0.6374359E-01 4.625491 
1 1 1    8   18   25 o   61.948   3.5924  457.831   52.324  473.900   73.927  441.700   74.070   62.723   5.0337   60.491   5.2371 2.232079 7.263998 
1 1 1    8   18   26 o   12.417   1.6345   18.548   4.6760   20.200   6.7227   17.000   6.5083   12.866   2.2970   11.763   2.4237 1.103493 3.339253 
1 1 1    8   18   27 o   48.829   2.9338  284.288   33.670  304.600   47.631  264.000   47.604   50.334   4.0415   46.765   4.3611 3.568733 5.945814 
1 1 1    8   18   28 o   32.549   2.1967  126.168   16.785  140.600   23.764  111.800   23.712   34.254   2.9673   30.447   3.3537 3.807295 4.477972 
1 1 1    8   18   29 o  167.952   9.7805  3644.62  386.209  3870.20  546.033  3418.80  546.332  165.690   14.090  153.590   15.266 12.10059 20.77426 
1 1 1    8   18   30 o   68.283   3.9107  561.104   62.793  563.900   88.745  558.300   88.860   67.792   5.5937   67.436   5.6318 0.3565674 7.937715 
1 1 1    8   18   31 o   65.856   3.7896  522.200   58.683  531.500   82.992  512.900   82.988   65.800   5.3886   64.583   5.4939 1.217445 7.695447 
1 1 1    8   18   32 f   85.219   4.8492  885.643   97.179  935.500  137.373  835.700  137.492   86.296   6.7964   81.208   7.2461 5.088036 9.934597 
1 1 1    8   18   33 o   79.444   4.4971  769.213   84.018  780.300  119.019  758.200  118.620   78.735   6.4584   77.546   6.5389 1.189102 9.190692 
1 1 1    8   18   34 o   39.417   2.4719  185.992   22.891  203.000   32.428  169.100   32.318   40.949   3.3840   37.249   3.7241 3.699753 5.031924 
1 1 1    8   18   35 o   13.053   1.7060   20.569   5.1324   18.100   7.3657   22.900   7.1556   12.068   2.6567   13.675   2.2974 -1.607386 3.512282 
1 1 1    8   18   36 o   42.683   2.6769  219.541   26.844  234.900   37.975  204.200   37.953   43.760   3.7099   40.653   4.0056 3.106541 5.459696 
1 1 1    8   18   37 o   61.411   3.5834  462.502   51.738  501.700   73.214  423.400   73.125   62.913   4.9687   57.361   5.4647 5.551785 7.385859 
1 1 1    8   18   38 o   24.747   1.9467   73.595   11.284   74.500   16.006   72.700   15.910   24.675   2.7965   24.365   2.8173 0.3097134 3.969624 
1 1 1    8   18   39 o   51.420   3.1167  323.730   37.665  345.000   53.291  302.500   53.240   52.216   4.3619   48.620   4.6957 3.596172 6.409075 
1 1 1    8   18   40 o   48.928   2.7280  291.187   31.392  349.600   44.535  233.500   44.257   53.082   3.5738   42.766   4.4476 10.31591 5.705545 
1 1 1    8   18   41 o   11.951   1.6261   17.340   4.4698   18.400   6.5204   16.400   6.1394   12.157   2.3564   11.465   2.3468 0.6926661 3.325698 
1 1 1    8   18   42 o   12.427   1.6485   18.752   4.7182   18.700   6.8243   18.800   6.5304   12.228   2.4488   12.287   2.3361 -0.5935860E-01 3.384353 
1 1 1    8   18   43 o   12.181   1.2989   17.859   3.6786   26.200   5.3926   10.600   5.0309   14.726   1.5752   9.1795   2.3199 5.546623 2.804124 
1 1 1    8   18   44 o   12.529   1.7073   19.169   4.9198   17.300   6.9019   21.100   7.0149   11.675   2.5729   12.976   2.3770 -1.301244 3.502818 
1 1 1    8   18   45 o   17.833   1.7855   38.667   7.4175   52.200   10.503   25.200   10.477   20.607   2.1920   13.894   3.2511 6.713295 3.921017 
1 1 1    8   18   46 o   18.337   1.8282   41.051   7.8109   52.800   11.022   29.200   11.070   20.635   2.3013   14.913   3.2365 5.721888 3.971301 
1 1 1    8   18   47 o   13.433   2.5158   23.000   7.6867   23.000   7.6867   0.0000   0.0000   13.433   2.5158  ?   ?  0.000000 2.515825 
1 1 1    8   18   48 o   8.8771   2.3676   10.100   5.0541   10.100   5.0541   0.0000   0.0000   8.8771   2.3676  ?   ?  0.000000 2.367560 
1 1 1    8   18   49 o   19.577   2.7218   49.300   12.242   49.300   12.242   0.0000   0.0000   19.577   2.7218  ?   ?  0.000000 2.721770 
1 1 1    8   18   50 o   17.655   2.6803   40.800   10.823   40.800   10.823   0.0000   0.0000   17.655   2.6803  ?   ?  0.000000 2.680257 
1 1 1    8   18   51 o   16.144   2.6938   35.100   9.9076   35.100   9.9076   0.0000   0.0000   16.144   2.6938  ?   ?  0.000000 2.693786 
1 1 1    8   18   52 o   15.551   2.7092   33.500   9.5868   33.500   9.5868   0.0000   0.0000   15.551   2.7092  ?   ?  0.000000 2.709154 
1 1 1    8   18   53 o   18.358   3.1040   49.500   12.976   49.500   12.976   0.0000   0.0000   18.358   3.1040  ?   ?  0.000000 3.104048 
1 1 1    8   18   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   19    0 o   99.853   7.9057  1204.30  183.720  1204.30  183.720  1204.30  183.720   99.853   7.9057   99.853   7.9057 0.000000 0.000000 
1 1 1    8   19    1 o  203.573   10.934  4990.12  523.695  5069.00  740.748  4911.30  740.487  203.185   15.557  199.853   15.820 3.331421 22.18781 
1 1 1    8   19    2 f  269.918   13.008  8810.86  829.104 10981.50  1174.37  6653.80  1170.70  298.630   16.721  228.792   21.938 69.83839 27.58384 
1 1 1    8   19    3 o  272.510   14.600  9061.28  936.103  9650.00  1324.66  8474.00  1323.04  277.069   20.390  258.370   21.891 18.69894 29.91619 
1 1 1    8   19    4 o   33.126   2.2029  130.225   17.133  118.600   24.003  142.300   24.463   31.500   3.2749   34.561   3.0281 -3.061485 4.460255 
1 1 1    8   19    5 o  297.741   16.415 10911.60  1149.61 11141.30  1623.69 10680.70  1627.92  294.670   23.531  287.857   24.173 6.812225 33.73504 
1 1 1    8   19    6 f  193.251   10.487  4494.96  476.755  5002.20  674.029  3987.10  674.438  202.328   14.198  179.669   16.066 22.65904 21.44056 
1 1 1    8   19    7 o   15.252   1.7048   27.822   6.0349   24.300   8.5014   31.400   8.5684   14.109   2.6489   16.137   2.3149 -2.027917 3.517888 
1 1 1    8   19    8 o  110.821   6.0955  1462.75  158.899  1539.50  224.430  1385.60  225.006  113.257   8.4527  107.303   8.9622 5.953712 12.31945 
1 1 1    8   19    9 o  137.046   7.3965  2243.01  238.475  2252.00  337.014  2234.00  337.497  136.529   10.535  135.963   10.596 0.5667267 14.94168 
1 1 1    8   19   10 o   49.513   2.9698  290.893   34.561  318.500   48.883  263.300   48.871   51.715   4.0349   46.938   4.4630 4.776451 6.016518 
1 1 1    8   19   11 f   75.152   4.2160  670.864   74.515  743.700  105.369  598.000  105.390   78.954   5.6898   70.649   6.3864 8.305489 8.553365 
1 1 1    8   19   12 o  123.200   6.6378  1810.42  192.396  2062.70  272.131  1558.30  272.046  131.033   8.8468  113.447   10.266 17.58516 13.55230 
1 1 1    8   19   13 o  178.397   13.905  3904.60  581.149  3904.60  581.149   0.0000   0.0000  178.397   13.905  ?   ?  0.000000 13.90531 
1 1 1    8   19   14 o  119.344   6.3489  1698.61  178.279  1988.30  252.274  1409.60  251.977  128.701   8.3460  107.854   10.008 20.84649 13.03114 
1 1 1    8   19   15 o   50.950   3.0807  308.171   36.891  332.500   52.095  283.700   52.248   52.812   4.2125   48.706   4.5971 4.105076 6.235255 
1 1 1    8   19   16 o  139.671   7.3337  2334.17  241.029  2575.70  341.208  2093.60  340.528  145.943   9.9604  131.125   11.102 14.81821 14.91522 
1 1 1    8   19   17 o  196.942   10.835  4707.64  501.958  5044.00  709.304  4370.20  710.450  201.399   15.023  186.570   16.289 14.82884 22.15919 
1 1 1    8   19   18 f   90.138   4.8275  967.235  102.380  1094.80  144.938  840.200  144.637   95.616   6.4571   83.506   7.4121 12.11087 9.830220 
1 1 1    8   19   19 o  172.586   9.2840  3604.96  376.966  3827.40  533.335  3382.90  532.886  175.861   12.934  164.744   13.826 11.11754 18.93261 
1 1 1    8   19   20 f  121.679   6.1741  1772.03  176.818  2149.60  250.396  1396.50  249.721  133.463   7.9818  106.766   10.022 26.69785 12.81246 
1 1 1    8   19   21 o  167.481   9.0861  3413.92  357.994  3600.70  506.451  3227.40  506.110  169.612   12.738  159.963   13.525 9.649490 18.57943 
1 1 1    8   19   22 o   58.265   3.3610  403.907   46.046  427.100   65.180  380.800   65.059   59.716   4.6592   56.314   4.9425 3.402195 6.792365 
1 1 1    8   19   23 o  112.569   6.1659  1526.54  163.276  1479.00  230.875  1574.10  230.939  109.576   9.0024  113.214   8.7052 -3.638016 12.52289 
1 1 1    8   19   24 o   44.052   2.7245  230.903   28.202  233.700   39.860  228.100   39.907   44.149   3.8623   43.603   3.9177 0.5459824 5.501495 
1 1 1    8   19   25 o   74.819   4.1835  670.155   73.616  648.800  104.000  691.600  104.217   73.055   6.0840   75.507   5.8917 -2.452347 8.469158 
1 1 1    8   19   26 o   62.180   3.5809  462.144   52.357  455.200   74.013  469.100   74.074   61.309   5.1603   62.268   5.0821 -0.9584999 7.242690 
1 1 1    8   19   27 o   25.726   1.9684   78.845   11.867   81.100   16.801   76.600   16.764   25.981   2.7819   25.227   2.8649 0.7534027 3.993285 
1 1 1    8   19   28 o   84.439   4.7661  862.186   94.644  906.600  133.792  817.700  133.900   85.644   6.6682   81.092   7.0632 4.551788 9.713571 
1 1 1    8   19   29 o   29.614   2.1017  104.524   14.601  112.900   20.681   96.200   20.617   30.660   2.8907   28.233   3.1460 2.427107 4.272406 
1 1 1    8   19   30 o   60.408   3.5246  438.262   50.059  443.500   70.715  433.000   70.872   60.255   5.0156   59.502   5.0932 0.7533302 7.148192 
1 1 1    8   19   31 o   58.287   3.3710  408.002   46.199  439.900   65.385  376.200   65.286   60.085   4.6445   55.381   5.0477 4.703560 6.859355 
1 1 1    8   19   32 o   52.714   3.1384  333.641   38.889  326.800   54.960  340.500   55.034   51.701   4.5481   52.817   4.4542 -1.116112 6.365916 
1 1 1    8   19   33 o   36.615   2.3912  160.342   20.561  168.000   29.188  152.800   28.968   37.258   3.3535   35.479   3.5034 1.779083 4.849762 
1 1 1    8   19   34 o   20.337   1.7801   49.486   8.4623   51.900   12.003   47.100   11.932   20.701   2.5067   19.680   2.6337 1.020977 3.635915 
1 1 1    8   19   35 o   54.123   3.2452  355.008   41.284  340.300   58.401  369.700   58.368   52.203   4.7910   54.556   4.5729 -2.352898 6.623085 
1 1 1    8   19   36 o   24.346   1.9380   71.103   11.049   62.900   15.629   79.300   15.622   22.634   2.9980   25.559   2.6257 -2.925688 3.985276 
1 1 1    8   19   37 o   28.131   2.0587   95.074   13.581   99.300   19.265   90.900   19.147   28.515   2.9015   27.230   3.0291 1.285555 4.194541 
1 1 1    8   19   38 o   22.367   1.8684   60.145   9.7779   60.800   13.880   59.500   13.776   22.279   2.6931   22.033   2.7047 0.2460899 3.816790 
1 1 1    8   19   39 o   42.636   2.6885  220.924   26.929  228.000   38.154  213.900   38.012   42.707   3.8239   41.282   3.9475 1.425388 5.495915 
1 1 1    8   19   40 o   19.982   1.7985   48.092   8.3954   48.800   11.945   47.400   11.802   19.922   2.6014   19.626   2.6113 0.2952995 3.685983 
1 1 1    8   19   41 o   29.783   1.9305  106.725   13.504  131.400   19.246   82.800   18.951   32.861   2.4990   25.792   3.1790 7.069653 4.043643 
1 1 1    8   19   42 o   20.269   1.6222   49.381   7.6993   63.500   10.996   35.800   10.784   22.889   2.0564   16.919   2.7970 5.969439 3.471571 
1 1 1    8   19   43 o   24.110   1.7983   70.144   10.164   83.000   14.463   57.600   14.287   26.037   2.3787   21.461   2.8930 4.576063 3.745302 
1 1 1    8   19   44 o   32.680   2.3550  130.849   18.051  153.100   25.472  108.400   25.585   34.896   3.1242   28.871   3.8487 6.025608 4.957122 
1 1 1    8   19   45 f   23.063   1.9643   64.897   10.595   67.100   14.830   62.600   15.143   23.095   2.7749   22.204   2.9620 0.8904667 4.058754 
1 1 1    8   19   46 o   19.065   1.9441   44.569   8.6296   59.900   12.100   28.700   12.311   21.945   2.3729   14.619   3.5919 7.325843 4.304904 
1 1 1    8   19   47 o   14.576   2.5191   27.000   8.3571   27.000   8.3571   0.0000   0.0000   14.576   2.5191  ?   ?  0.000000 2.519117 
1 1 1    8   19   48 o   15.098   2.5286   29.100   8.6959   29.100   8.6959   0.0000   0.0000   15.098   2.5286  ?   ?  0.000000 2.528586 
1 1 1    8   19   49 o   16.107   2.5868   33.500   9.5059   33.500   9.5059   0.0000   0.0000   16.107   2.5868  ?   ?  0.000000 2.586786 
1 1 1    8   19   50 o   30.871   3.5438  133.600   25.365  133.600   25.365   0.0000   0.0000   30.871   3.5438  ?   ?  0.000000 3.543787 
1 1 1    8   19   51 o   6.1832   2.1523   4.6000   3.8530   4.6000   3.8530   0.0000   0.0000   6.1832   2.1523  ?   ?  0.000000 2.152303 
1 1 1    8   19   52 o   13.068   2.8295   24.300   8.4784   24.300   8.4784   0.0000   0.0000   13.068   2.8295  ?   ?  0.000000 2.829453 
1 1 1    8   19   53 o   3.1169   1.4983  -4.3000   3.2244  -4.3000   3.2244   0.0000   0.0000   3.1169   1.4983  ?   ?  0.000000 1.498321 
1 1 1    8   19   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   20    0 o   25.706   2.9479   81.100   17.285   81.100   17.285   81.100   17.285   25.706   2.9479   25.706   2.9479 0.000000 0.000000 
1 1 1    8   20    1 o   74.014   3.9554  650.149   68.879  779.100   97.543  521.900   97.277   80.911   5.1319   65.990   6.3200 14.92097 8.141152 
1 1 1    8   20    2 o   77.842   4.2993  719.586   78.721  668.900  111.257  770.400  111.399   74.774   6.3615   80.351   5.9127 -5.576881 8.684995 
1 1 1    8   20    3 f  102.562   4.5481  1245.85  110.148  1647.00  156.342  850.500  155.209  117.826   5.6192   84.114   7.9070 33.71209 9.700344 
1 1 1    8   20    4 o  151.989   8.0776  2762.27  288.866  2943.90  408.779  2581.10  408.257  156.044   11.168  145.807   11.963 10.23680 16.36544 
1 1 1    8   20    5 o  245.410   13.015  7316.30  751.546  8027.70  1063.48  6606.60  1062.21  254.023   17.843  228.960   19.843 25.06326 26.68520 
1 1 1    8   20    6 o  122.620   6.7592  1793.25  194.957  2088.40  275.548  1497.40  275.873  131.893   8.8994  111.155   10.640 20.73783 13.87147 
1 1 1    8   20    7 o  147.251   11.399  2627.40  393.267  2627.40  393.267   0.0000   0.0000  147.251   11.399  ?   ?  0.000000 11.39890 
1 1 1    8   20    8 o  186.690   10.172  4195.36  446.724  4480.20  631.313  3909.70  632.212  191.301   14.074  178.125   15.175 13.17628 20.69721 
1 1 1    8   20    9 o  142.576   7.6508  2429.79  256.641  2885.20  362.989  1974.60  362.901  154.760   9.9861  127.234   12.229 27.52618 15.78867 
1 1 1    8   20   10 f   64.322   3.5903  491.054   54.315  612.700   76.875  369.800   76.751   71.770   4.5597   55.490   5.9503 16.28036 7.496511 
1 1 1    8   20   11 o  208.983   11.053  5278.00  543.512  6426.10  768.928  4131.60  768.357  228.928   14.296  181.247   18.199 47.68100 23.14199 
1 1 1    8   20   12 o  123.801   6.2509  1826.66  182.147  2376.20  257.898  1279.70  257.292  140.904   7.7813  102.528   10.789 38.37609 13.30243 
1 1 1    8   20   13 o  103.207   5.7199  1269.06  138.854  1430.10  196.240  1107.60  196.497  109.206   7.6584   95.788   8.7851 13.41735 11.65458 
1 1 1    8   20   14 o   75.609   4.2747  679.491   76.007  775.400  107.439  583.400  107.542   80.591   5.6821   69.693   6.6139 10.89771 8.719535 
1 1 1    8   20   15 o  140.391   6.6314  2347.73  219.838  2935.40  311.636  1765.60  310.164  156.327   8.4738  120.347   11.037 35.97977 13.91490 
1 1 1    8   20   16 o   39.170   2.4879  182.127   22.892  191.200   32.416  173.100   32.333   40.041   3.4625   38.062   3.6419 1.979012 5.025192 
1 1 1    8   20   17 o   55.875   3.3026  370.856   43.382  401.400   61.296  340.200   61.408   57.994   4.5114   53.300   4.9350 4.693760 6.686371 
1 1 1    8   20   18 o  124.107   5.8212  1834.77  170.597  2359.40  241.883  1315.50  240.643  140.190   7.3323  103.775   9.9418 36.41455 12.35320 
1 1 1    8   20   19 f   58.496   3.1960  406.430   43.980  495.300   62.310  318.200   62.085   64.478   4.1139   51.456   5.1801 13.02260 6.614911 
1 1 1    8   20   20 o   64.146   3.6140  489.519   54.519  530.600   77.177  448.600   77.025   66.581   4.9441   61.106   5.3934 5.474617 7.316672 
1 1 1    8   20   21 o   23.052   1.8758   63.240   10.122   66.400   14.336   60.100   14.293   23.538   2.6239   22.360   2.7661 1.178738 3.812607 
1 1 1    8   20   22 o   69.708   3.9518  579.601   64.780  599.900   91.611  559.300   91.616   70.581   5.5412   68.084   5.7524 2.497055 7.987127 
1 1 1    8   20   23 o   13.760   1.6403   22.703   5.2245   28.700   7.4502   16.900   7.3284   15.432   2.0989   11.709   2.7050 3.723340 3.423783 
1 1 1    8   20   24 o   89.634   4.9819  965.800  105.030  964.100  148.559  967.500  148.512   88.728   7.1512   88.892   7.1353 -0.1638412 10.10210 
1 1 1    8   20   25 o   97.991   5.4454  1160.42  125.505  1259.20  177.474  1061.60  177.508  101.074   7.4892   92.362   8.2249 8.712456 11.12374 
1 1 1    8   20   26 o   39.996   2.5442  190.597   23.904  199.500   33.810  181.700   33.800   40.753   3.5488   38.842   3.7310 1.910492 5.149251 
1 1 1    8   20   27 o   17.797   1.7337   37.850   7.1933   38.000   10.164   37.700   10.181   17.718   2.4987   17.644   2.5148 0.7414627E-01 3.545106 
1 1 1    8   20   28 o   49.246   2.9662  289.844   34.332  309.000   48.560  270.700   48.546   50.581   4.1010   47.239   4.4028 3.342068 6.016874 
1 1 1    8   20   29 o   44.410   2.7541  235.653   28.739  240.700   40.629  230.600   40.656   44.624   3.8948   43.646   3.9888 0.9779091 5.574961 
1 1 1    8   20   30 o   35.479   2.3591  150.251   19.652  151.900   27.781  148.600   27.803   35.479   3.3558   35.079   3.3991 0.4008369 4.776570 
1 1 1    8   20   31 o   18.033   1.7456   38.906   7.3402   32.100   10.385   45.700   10.376   16.177   2.8211   19.474   2.3009 -3.296976 3.640446 
1 1 1    8   20   32 o   28.985   2.0929  100.345   14.229  108.100   20.128   92.600   20.116   29.942   2.8824   27.635   3.1383 2.306908 4.261118 
1 1 1    8   20   33 o   37.277   2.4365  166.421   21.329  175.100   30.216  157.800   30.113   37.990   3.4043   35.995   3.5907 1.995605 4.948008 
1 1 1    8   20   34 f   24.721   1.9415   73.147   11.242   73.800   15.934   72.500   15.864   24.658   2.7853   24.434   2.8001 0.2239685 3.949523 
1 1 1    8   20   35 o   47.602   2.9163  273.994   32.623  283.000   46.150  265.000   46.120   47.827   4.1268   46.193   4.2767 1.633560 5.943121 
1 1 1    8   20   36 o   8.7962   1.6458   9.4973   3.2927   10.400   4.8080   8.7000   4.5187   9.1429   2.2437   8.3814   2.2402 0.7615728 3.170613 
1 1 1    8   20   37 o   25.885   1.9972   80.554   12.113   79.500   17.163   81.600   17.099   25.463   2.9065   25.818   2.8524 -0.3551407 4.072330 
1 1 1    8   20   38 o   18.655   1.7667   41.888   7.6897   42.500   10.982   41.300   10.771   18.599   2.5691   18.333   2.5577 0.2661057 3.625196 
1 1 1    8   20   39 f   29.767   2.1682  106.925   15.136  102.900   21.472  110.900   21.340   28.834   3.2080   30.008   3.0541 -1.174126 4.429359 
1 1 1    8   20   40 o   6.6549   1.6004   5.4901   2.4841   7.6000   3.7893   3.9000   3.2896   7.8175   2.0335   5.8997   1.9907 1.917792 2.845671 
1 1 1    8   20   41 o   16.493   1.5937   32.745   6.1294   42.600   8.7618   23.300   8.5778   18.737   2.0118   13.607   2.7640 5.130491 3.418641 
1 1 1    8   20   42 o   35.589   2.3142  154.016   19.342  173.700   27.413  134.500   27.296   37.363   3.1361   32.578   3.6088 4.784729 4.781084 
1 1 1    8   20   43 o   45.957   2.7074  260.326   29.251  303.200   41.477  217.900   41.259   48.816   3.6241   40.699   4.3610 8.116360 5.670290 
1 1 1    8   20   44 o   25.140   2.1321   77.243   12.538   92.800   17.569   61.100   17.897   27.271   2.7666   21.651   3.6291 5.619623 4.563385 
1 1 1    8   20   45 o   20.299   1.9346   50.375   9.1608   62.800   12.866   37.600   13.046   22.459   2.4667   16.918   3.3840 5.541315 4.187585 
1 1 1    8   20   46 o   24.318   2.0720   72.625   11.785   89.100   16.579   55.800   16.754   26.628   2.6727   20.518   3.5888 6.110508 4.474683 
1 1 1    8   20   47 o   18.524   2.6430   43.600   11.233   43.600   11.233   0.0000   0.0000   18.524   2.6430  ?   ?  0.000000 2.643049 
1 1 1    8   20   48 o   22.110   2.8311   62.900   14.442   62.900   14.442   0.0000   0.0000   22.110   2.8311  ?   ?  0.000000 2.831112 
1 1 1    8   20   49 o   11.155   2.4657   16.300   6.3221   16.300   6.3221   0.0000   0.0000   11.155   2.4657  ?   ?  0.000000 2.465692 
1 1 1    8   20   50 o   10.433   2.4713   14.600   5.9947   14.600   5.9947   0.0000   0.0000   10.433   2.4713  ?   ?  0.000000 2.471255 
1 1 1    8   20   51 o   15.480   2.7047   33.000   9.5267   33.000   9.5267   0.0000   0.0000   15.480   2.7047  ?   ?  0.000000 2.704695 
1 1 1    8   20   52 o   5.3216   2.1692   2.1000   4.2972   2.1000   4.2972   0.0000   0.0000   5.3216   2.1692  ?   ?  0.000000 2.169231 
1 1 1    8   20   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   21    0 o   94.168   7.4919  1071.20  164.167  1071.20  164.167  1071.20  164.167   94.168   7.4919   94.168   7.4919 0.000000 0.000000 
1 1 1    8   21    1 o   24.560   1.9107   71.692   10.994   79.400   15.607   64.100   15.490   25.789   2.5983   23.104   2.9033 2.684502 3.896210 
1 1 1    8   21    2 o   79.032   4.2336  741.638   78.721  864.100  111.448  619.700  111.209   85.162   5.5727   71.901   6.6245 13.26041 8.656752 
1 1 1    8   21    3 o  128.180   6.9016  1960.02  208.127  1999.40  294.435  1920.70  294.238  128.814   9.7520  126.185   9.9557 2.629097 13.93625 
1 1 1    8   21    4 o   75.476   4.0907  676.345   72.634  756.100  102.853  597.000  102.588   79.646   5.5026   70.624   6.2149 9.022049 8.300784 
1 1 1    8   21    5 o   80.881   4.3618  776.962   82.998  723.000  117.067  831.500  117.690   77.734   6.4355   83.465   6.0116 -5.731300 8.806555 
1 1 1    8   21    6 o   47.950   2.8039  272.733   31.609  367.600   44.753  178.300   44.651   55.641   3.4228   38.457   5.0380 17.18347 6.090695 
1 1 1    8   21    7 o  207.934   11.336  5226.63  554.521  5829.30  783.930  4623.10  784.492  217.560   15.358  192.471   17.451 25.08945 23.24629 
1 1 1    8   21    8 o  139.822   7.6819  2337.75  252.659  2493.60  356.800  2181.00  357.829  143.621   10.596  134.011   11.416 9.609604 15.57567 
1 1 1    8   21    9 o   79.492   4.4105  750.828   82.464  840.000  116.636  661.700  116.608   83.891   5.9260   74.279   6.7209 9.611252 8.960357 
1 1 1    8   21   10 o   75.318   4.2804  674.091   75.813  791.800  107.152  556.100  107.280   81.477   5.6034   68.027   6.7683 13.44998 8.786807 
1 1 1    8   21   11 o   85.554   6.7549  876.700  135.355  876.700  135.355   0.0000   0.0000   85.554   6.7549  ?   ?  0.000000 6.754892 
1 1 1    8   21   12 o  156.753   12.199  3000.00  448.000  3000.00  448.000   0.0000   0.0000  156.753   12.199  ?   ?  0.000000 12.19929 
1 1 1    8   21   13 o  103.905   5.7380  1286.78  140.240  1489.40  198.243  1083.80  198.415  111.439   7.5786   94.656   8.9846 16.78274 11.75403 
1 1 1    8   21   14 o  130.812   7.1628  2048.03  220.413  2331.20  311.585  1764.40  311.839  138.878   9.5595  120.225   11.110 18.65361 14.65659 
1 1 1    8   21   15 o  142.545   7.0655  2426.21  237.824  2951.10  336.814  1904.30  335.856  156.363   9.1621  124.646   11.542 31.71673 14.73611 
1 1 1    8   21   16 o   45.615   2.6837  246.948   28.780  274.500   40.852  219.800   40.551   48.004   3.6307   42.872   4.0537 5.132751 5.441918 
1 1 1    8   21   17 o  120.455   6.5285  1737.82  185.003  1962.80  261.678  1513.00  261.590  127.334   8.7560  111.265   10.065 16.06932 13.34088 
1 1 1    8   21   18 o  107.495   5.5248  1380.55  139.766  1679.00  197.943  1083.80  197.375  118.132   7.1294   94.262   8.9757 23.86954 11.46263 
1 1 1    8   21   19 o   79.103   4.4035  746.035   81.928  796.100  115.881  696.000  115.846   81.374   6.0744   75.949   6.5227 5.424858 8.913160 
1 1 1    8   21   20 o   69.968   3.9507  583.387   65.007  591.700   92.007  575.100   91.861   70.143   5.6016   69.129   5.6775 1.013985 7.975698 
1 1 1    8   21   21 o   11.378   1.6344   15.616   4.2650   17.500   6.0884   13.800   5.9763   11.968   2.2365   10.586   2.4407 1.382054 3.310435 
1 1 1    8   21   22 o   78.841   4.3973  743.627   81.539  776.800  115.353  710.500  115.274   80.095   6.1459   76.486   6.4425 3.609474 8.903773 
1 1 1    8   21   23 o   46.031   2.7899  252.259   30.182  265.800   42.748  238.800   42.619   47.077   3.8800   44.565   4.0958 2.512844 5.641771 
1 1 1    8   21   24 o   89.148   4.8945  956.465  102.641  1022.90  145.304  890.300  145.008   91.421   6.7792   85.021   7.2934 6.400368 9.957450 
1 1 1    8   21   25 o   25.959   1.9159   80.222   11.661   67.200   16.442   93.400   16.541   23.585   3.0219   27.943   2.5344 -4.358152 3.943956 
1 1 1    8   21   26 o   16.238   1.6967   31.549   6.4096   31.700   9.0919   31.400   9.0373   16.161   2.4601   16.083   2.4576 0.7790756E-01 3.477345 
1 1 1    8   21   27 o   37.036   2.4237  163.555   21.080  173.300   29.804  153.800   29.819   37.962   3.3595   35.698   3.5859 2.263336 4.913745 
1 1 1    8   21   28 o   51.965   3.1153  323.216   38.051  332.700   53.765  313.700   53.858   52.380   4.3873   50.806   4.5370 1.573940 6.311335 
1 1 1    8   21   29 o   70.167   3.9437  593.519   65.078  651.400   92.139  535.900   91.930   72.882   5.3920   65.786   5.9833 7.096870 8.054403 
1 1 1    8   21   30 o   33.423   2.2672  133.343   17.788  125.200   25.145  141.500   25.168   32.170   3.3597   34.268   3.1453 -2.098400 4.602227 
1 1 1    8   21   31 o   12.500   1.6699   18.848   4.8059   20.000   6.8035   17.700   6.7897   12.769   2.3428   11.974   2.4827 0.7945604 3.413576 
1 1 1    8   21   32 f   36.398   2.4040  158.550   20.546  166.100   29.056  151.000   29.056   37.027   3.3598   35.240   3.5395 1.786629 4.880182 
1 1 1    8   21   33 o   49.410   3.0172  294.315   35.034  289.400   49.619  299.200   49.473   48.446   4.3850   49.308   4.2918 -0.8624077 6.135762 
1 1 1    8   21   34 o   54.120   3.2310  355.135   41.103  336.600   58.104  373.700   58.151   51.877   4.7975   54.842   4.5310 -2.965324 6.598950 
1 1 1    8   21   35 o   30.414   2.1601  111.099   15.413  111.400   21.824  110.800   21.769   30.186   3.1061   30.103   3.1071 0.8261108E-01 4.393428 
1 1 1    8   21   36 o   6.3552   1.6160   4.9900   2.4306   5.8000   3.5838   4.3000   3.3077   6.9160   2.0488   6.1111   1.9942 0.8049555 2.859139 
1 1 1    8   21   37 o   17.793   1.7490   38.107   7.2535   37.400   10.310   38.800   10.207   17.432   2.5829   17.784   2.4995 -0.3515320 3.594298 
1 1 1    8   21   38 o   8.5438   1.6357   8.9843   3.1799   10.200   4.6313   7.9000   4.3738   9.0417   2.1919   7.9948   2.2317 1.046916 3.128078 
1 1 1    8   21   39 o   44.685   2.7099  243.012   28.459  266.300   40.368  220.000   40.127   46.180   3.7338   41.696   4.1298 4.483311 5.567493 
1 1 1    8   21   40 o   3.0444   1.2312   0.4615   1.3716   3.0000   2.4481  -0.7000   1.6560   5.1530   1.7173   2.7751   1.2392 2.377899 2.117718 
1 1 1    8   21   41 o   44.521   2.7849  242.969   29.130  262.900   41.229  223.100   41.164   45.558   3.8690   41.663   4.2433 3.894905 5.742422 
1 1 1    8   21   42 o   30.304   2.1180  111.418   15.061  128.500   21.350   94.500   21.248   32.224   2.8347   27.341   3.3619 4.882586 4.397464 
1 1 1    8   21   43 o   21.523   1.7384   56.002   8.7597   67.900   12.494   44.500   12.284   23.527   2.2775   18.788   2.8591 4.739174 3.655300 
1 1 1    8   21   44 o   17.137   1.7927   35.788   7.1469   41.900   10.076   29.600   10.139   18.353   2.3811   15.175   2.9356 3.178290 3.779826 
1 1 1    8   21   45 o   18.256   1.8888   40.793   8.0244   46.600   11.170   34.600   11.535   19.277   2.5137   16.317   3.1074 2.960258 3.996792 
1 1 1    8   21   46 o   18.858   2.6426   45.000   11.445   45.000   11.445   0.0000   0.0000   18.858   2.6426  ?   ?  0.000000 2.642560 
1 1 1    8   21   47 o   24.360   2.9309   76.200   16.521   76.200   16.521   0.0000   0.0000   24.360   2.9309  ?   ?  0.000000 2.930900 
1 1 1    8   21   48 o   11.839   2.4902   18.200   6.7411   18.200   6.7411   0.0000   0.0000   11.839   2.4902  ?   ?  0.000000 2.490194 
1 1 1    8   21   49 o   9.8708   2.4417   12.900   5.6597   12.900   5.6597   0.0000   0.0000   9.8708   2.4417  ?   ?  0.000000 2.441669 
1 1 1    8   21   50 o   14.845   2.6987   30.000   9.1117   30.000   9.1117   0.0000   0.0000   14.845   2.6987  ?   ?  0.000000 2.698718 
1 1 1    8   21   51 o   12.070   2.7795   20.600   7.7584   20.600   7.7584   0.0000   0.0000   12.070   2.7795  ?   ?  0.000000 2.779494 
1 1 1    8   21   52 o   10.733   2.7770   16.700   7.0915   16.700   7.0915   0.0000   0.0000   10.733   2.7770  ?   ?  0.000000 2.776965 
1 1 1    8   21   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   22    0 o   2.0558   1.3578  -0.4000   1.7063  -0.4000   1.7063  -0.4000   1.7063   2.0558   1.3578   2.0558   1.3578 0.000000 0.000000 
1 1 1    8   22    1 o   44.569   2.7391  235.696   28.688  228.500   40.560  242.900   40.581   43.758   3.9685   45.141   3.8437 -1.382702 5.524789 
1 1 1    8   22    2 o   52.830   3.1188  331.200   38.735  327.000   54.780  335.400   54.780   52.352   4.4742   53.033   4.4145 -0.6805344 6.285382 
1 1 1    8   22    3 o  152.419   8.0699  2779.56  289.415  3010.10  409.599  2549.70  408.992  157.737   11.067  144.774   12.074 12.96292 16.37830 
1 1 1    8   22    4 o   24.988   1.8008   74.146   10.554   53.100   14.739   96.300   15.121   20.971   3.0670   28.457   2.2692 -7.486273 3.815188 
1 1 1    8   22    5 o  283.892   15.537  9926.51  1037.63  9884.40  1465.02  9968.90  1469.86  277.038   22.591  278.252   22.565 -1.213562 31.93015 
1 1 1    8   22    6 o  259.334   14.417  8244.04  879.394  9031.20  1242.71  7454.50  1244.59  267.172   19.839  240.656   22.150 26.51659 29.73582 
1 1 1    8   22    7 o  224.703   12.357  6136.64  653.154  6857.50  923.260  5414.40  924.138  234.821   16.760  206.949   19.127 27.87175 25.43155 
1 1 1    8   22    8 o   47.506   2.9205  267.871   32.603  302.200   46.060  233.400   46.154   50.373   3.9027   44.156   4.4889 6.216793 5.948191 
1 1 1    8   22    9 o   64.408   3.7087  492.654   56.168  533.000   79.380  452.200   79.486   66.841   5.0670   61.468   5.5356 5.373127 7.504470 
1 1 1    8   22   10 o  289.944   15.162 10383.81  1034.51 13017.40  1464.21  7758.80  1461.82  320.255   19.454  240.291   26.187 79.96347 32.62209 
1 1 1    8   22   11 o   71.791   3.6652  611.692   61.928  814.300   87.766  410.800   87.393   82.762   4.5079   58.404   6.4442 24.35814 7.864363 
1 1 1    8   22   12 o   42.363   3.7891  214.200   37.504  214.200   37.504   0.0000   0.0000   42.363   3.7891  ?   ?  0.000000 3.789129 
1 1 1    8   22   13 o  113.544   6.2340  1539.75  166.505  1810.00  235.407  1269.20  235.540  122.651   8.1749  102.135   9.8901 20.51581 12.83134 
1 1 1    8   22   14 o   70.549   4.0529  591.841   67.234  654.900   94.977  528.500   95.190   74.018   5.4728   66.333   6.1470 7.684242 8.230276 
1 1 1    8   22   15 o  162.619   8.5728  3189.51  328.033  3611.10  464.264  2769.20  463.555  171.638   11.522  149.292   13.288 22.34599 17.58769 
1 1 1    8   22   16 o  108.554   5.6856  1407.82  145.236  1270.20  204.744  1547.20  206.052  102.331   8.5515  113.261   7.7509 -10.93030 11.54144 
1 1 1    8   22   17 o  128.601   10.130  2027.80  305.130  2027.80  305.130   0.0000   0.0000  128.601   10.130  ?   ?  0.000000 10.12998 
1 1 1    8   22   18 o   73.010   3.8714  634.490   66.505  728.300   94.310  541.700   93.796   78.003   5.1491   67.048   5.9873 10.95545 7.896911 
1 1 1    8   22   19 o  110.814   5.9410  1474.71  154.893  1602.90  219.258  1347.00  218.846  114.711   8.1475  104.781   8.9302 9.930191 12.08839 
1 1 1    8   22   20 o   73.553   4.1426  645.847   71.658  633.600  101.328  658.100  101.352   72.421   5.9787   73.849   5.8601 -1.428452 8.371727 
1 1 1    8   22   21 o   21.458   1.8124   54.847   9.0975   61.300   12.919   48.500   12.813   22.617   2.4586   20.037   2.7833 2.580170 3.713649 
1 1 1    8   22   22 o   50.368   2.9169  302.070   34.544  345.500   48.926  258.900   48.779   53.713   3.8836   46.329   4.5162 7.383816 5.956370 
1 1 1    8   22   23 o   77.919   4.3747  728.392   80.167  752.400  113.394  704.400  113.354   78.595   6.1592   75.947   6.3798 2.648178 8.867782 
1 1 1    8   22   24 o   93.411   5.0034  1052.98  109.961  1205.50  155.726  901.300  155.292   99.140   6.6911   85.075   7.8176 14.06523 10.29006 
1 1 1    8   22   25 o   21.689   1.8595   56.114   9.4314   45.500   13.347   66.700   13.330   19.328   3.0234   23.584   2.4282 -4.256653 3.877751 
1 1 1    8   22   26 o   95.155   5.3530  1101.35  119.791  1141.00  169.306  1061.60  169.514   95.486   7.5709   91.863   7.8911 3.622917 10.93561 
1 1 1    8   22   27 o   47.787   2.8491  272.834   32.004  240.300   45.215  305.500   45.307   44.476   4.3613   50.343   3.8402 -5.867249 5.811001 
1 1 1    8   22   28 o   42.823   2.6831  219.107   26.995  226.100   38.157  212.100   38.196   43.258   3.7733   41.852   3.9102 1.406311 5.433932 
1 1 1    8   22   29 o   21.840   1.8498   56.950   9.4498   59.900   13.364   54.000   13.364   22.287   2.5875   21.117   2.7450 1.170126 3.772281 
1 1 1    8   22   30 o   40.788   2.5610  198.957   24.541  190.500   34.619  207.500   34.793   39.620   3.7446   41.407   3.5941 -1.786602 5.190361 
1 1 1    8   22   31 o   15.030   1.7060   27.130   5.9474   30.500   8.3738   23.700   8.4485   15.846   2.3054   13.863   2.6777 1.983272 3.533464 
1 1 1    8   22   32 o   92.000   5.3039  1053.69  114.737  1087.20  162.159  1020.10  162.368   91.032   7.6136   87.816   7.9151 3.216385 10.98253 
1 1 1    8   22   33 o   43.459   2.7473  227.475   28.048  216.500   39.711  238.400   39.621   41.907   4.0639   44.088   3.8443 -2.180283 5.594113 
1 1 1    8   22   34 o   20.959   1.8331   52.698   8.9811   53.300   12.722   52.100   12.680   20.907   2.6356   20.660   2.6610 0.2466507 3.745300 
1 1 1    8   22   35 o   36.179   2.3904  157.684   20.306  163.200   28.760  152.200   28.675   36.454   3.3794   35.144   3.5019 1.309929 4.866639 
1 1 1    8   22   36 f   29.029   2.1136  101.402   14.388   93.200   20.351  109.600   20.345   27.490   3.1946   29.939   2.9148 -2.448681 4.324561 
1 1 1    8   22   37 o   19.139   1.7755   44.075   7.9329   50.000   11.243   38.200   11.195   20.249   2.3980   17.556   2.7940 2.692537 3.681933 
1 1 1    8   22   38 o   22.104   1.8544   58.798   9.5898   62.000   13.677   55.700   13.450   22.498   2.6237   21.273   2.7413 1.224285 3.794561 
1 1 1    8   22   39 o   10.117   1.7750   12.578   4.0860   8.2000   5.9050   16.600   5.6597   8.3010   2.6608   11.579   2.1491 -3.277881 3.420276 
1 1 1    8   22   40 o   19.336   1.7982   45.107   8.1165   43.800   11.510   46.400   11.447   18.815   2.6652   19.407   2.5605 -0.5922337 3.695881 
1 1 1    8   22   41 o   8.0874   1.6813   8.1107   3.1061   8.9000   4.5126   7.4000   4.2819   8.4309   2.2317   7.7333   2.2251 0.6976686 3.151478 
1 1 1    8   22   42 o   40.160   2.4889  197.637   23.486  228.700   33.302  166.900   33.127   42.608   3.3366   35.896   3.9749 6.712467 5.189698 
1 1 1    8   22   43 o   17.461   1.8436   37.149   7.4866   38.900   10.316   35.200   10.881   17.634   2.5517   16.637   2.8738 0.9970036 3.843138 
1 1 1    8   22   44 o   17.408   1.7282   36.877   7.0105   30.300   9.5111   44.700   10.374   15.428   2.7096   18.953   2.3697 -3.524917 3.599627 
1 1 1    8   22   45 o   6.6515   1.8406   5.5232   2.9888   4.6000   3.7633   7.1000   4.9183   6.3147   2.1292   7.6230   2.4267 -1.308320 3.228410 
1 1 1    8   22   46 o   8.0967   2.3130   8.3000   4.6424   8.3000   4.6424   0.0000   0.0000   8.0967   2.3130  ?   ?  0.000000 2.312994 
1 1 1    8   22   47 o   9.3943   2.4256   11.400   5.4181   11.400   5.4181   0.0000   0.0000   9.3943   2.4256  ?   ?  0.000000 2.425636 
1 1 1    8   22   48 o   24.173   2.9745   77.000   16.621   77.000   16.621   0.0000   0.0000   24.173   2.9745  ?   ?  0.000000 2.974494 
1 1 1    8   22   49 o   15.034   2.6838   30.300   9.1779   30.300   9.1779   0.0000   0.0000   15.034   2.6838  ?   ?  0.000000 2.683781 
1 1 1    8   22   50 o   19.124   2.9881   51.300   13.053   51.300   13.053   0.0000   0.0000   19.124   2.9881  ?   ?  0.000000 2.988150 
1 1 1    8   22   51 o   10.034   2.7401   14.400   6.6752   14.400   6.6752   0.0000   0.0000   10.034   2.7401  ?   ?  0.000000 2.740079 
1 1 1    8   22   52 o   12.845   2.8906   24.000   8.5557   24.000   8.5557   0.0000   0.0000   12.845   2.8906  ?   ?  0.000000 2.890553 
1 1 1    8   23    0 o   60.757   5.0934  445.900   71.892  445.900   71.892  445.900   71.892   60.757   5.0934   60.757   5.0934 -0.000000 0.000000 
1 1 1    8   23    1 o   54.010   3.1834  346.211   40.420  334.700   57.190  357.700   57.136   52.946   4.6206   54.768   4.4566 -1.822468 6.419612 
1 1 1    8   23    2 o  195.159   9.6472  4569.75  444.584  3704.40  627.781  5440.40  629.696  172.922   15.540  211.374   12.674 -38.45247 20.05340 
1 1 1    8   23    3 o  168.817   9.2868  3425.69  368.781  3769.30  521.055  3080.80  522.017  175.809   12.635  158.223   14.120 17.58566 18.94815 
1 1 1    8   23    4 o   19.916   1.8644   47.273   8.6660   52.000   12.164   42.400   12.350   20.822   2.5255   18.719   2.8867 2.103333 3.835552 
1 1 1    8   23    5 o   98.695   4.6106  1154.50  107.453  906.600  150.828  1410.00  153.120   86.887   7.4225  108.766   5.9848 -21.87910 9.534801 
1 1 1    8   23    6 o  144.355   7.9319  2496.31  269.339  2681.70  380.483  2310.10  381.324  148.701   10.912  137.627   11.849 11.07430 16.10813 
1 1 1    8   23    7 o   72.628   4.0331  626.611   68.896  716.400   97.510  537.100   97.359   77.504   5.3609   66.919   6.2328 10.58468 8.221151 
1 1 1    8   23    8 o   75.602   3.9951  678.763   71.069  852.100  100.707  506.800  100.307   84.596   5.0646   64.914   6.6371 19.68240 8.348771 
1 1 1    8   23    9 o  131.636   7.0698  2071.87  218.953  2403.70  309.732  1740.40  309.560  141.177   9.3438  119.489   11.098 21.68777 14.50760 
1 1 1    8   23   10 o  105.897   5.8130  1337.34  144.804  1440.90  204.698  1233.60  204.871  109.466   7.9738  101.071   8.6679 8.395767 11.77774 
1 1 1    8   23   11 o  185.406   10.182  4163.10  444.075  4578.80  627.674  3746.50  628.360  192.425   13.907  172.990   15.549 19.43474 20.86078 
1 1 1    8   23   12 o  239.528   19.589  7415.20  1098.27  7415.20  1098.27   0.0000   0.0000  239.528   19.589  ?   ?  0.000000 19.58880 
1 1 1    8   23   13 o   20.031   1.6392   47.722   7.6853   70.400   11.040   26.400   10.705   24.330   1.9377   14.652   3.1848 9.677686 3.727978 
1 1 1    8   23   14 o  120.908   6.2644  1749.08  178.241  2046.00  252.379  1453.60  251.764  130.184   8.2525  109.098   9.8799 21.08598 12.87308 
1 1 1    8   23   15 o   67.872   3.7912  547.946   60.519  593.100   85.686  503.000   85.489   70.402   5.1908   64.719   5.6506 5.683144 7.672888 
1 1 1    8   23   16 o   63.099   3.6172  473.696   53.672  493.000   75.911  454.400   75.896   64.148   5.0522   61.529   5.2747 2.619614 7.303932 
1 1 1    8   23   17 o   56.335   3.3102  377.523   43.841  398.800   61.968  356.200   62.034   57.714   4.5848   54.473   4.8741 3.240917 6.691592 
1 1 1    8   23   18 f   93.794   5.1758  1053.60  114.191  1073.00  161.482  1034.20  161.498   93.996   7.3334   92.218   7.4808 1.777596 10.47573 
1 1 1    8   23   19 o   86.481   4.7090  895.027   95.800  1003.70  135.591  786.700  135.374   91.113   6.3417   80.326   7.2139 10.78677 9.605070 
1 1 1    8   23   20 o  139.189   7.2102  2358.16  236.167  2761.50  334.527  1957.40  333.458  148.994   9.5587  123.913   11.529 25.08184 14.97580 
1 1 1    8   23   21 o   57.404   3.2691  392.874   44.129  438.700   62.494  347.300   62.322   60.438   4.4093   53.605   4.9804 6.832645 6.651779 
1 1 1    8   23   22 o   72.434   4.1013  628.549   69.862  638.400   98.804  618.700   98.795   72.477   5.8223   71.309   5.9207 1.168335 8.303848 
1 1 1    8   23   23 o   70.786   3.9815  600.682   66.280  656.000   93.793  545.500   93.677   73.513   5.4418   66.799   6.0029 6.713806 8.102351 
1 1 1    8   23   24 o   24.037   1.9588   68.896   11.021   75.900   15.536   61.800   15.637   25.139   2.6574   22.596   3.0053 2.543592 4.011693 
1 1 1    8   23   25 o   87.417   4.9436  925.722  101.630  1013.10  143.667  838.200  143.785   90.477   6.7736   81.813   7.5271 8.663963 10.12610 
1 1 1    8   23   26 o   65.020   3.7485  507.951   57.309  507.400   81.121  508.500   80.972   64.400   5.3838   64.478   5.3670 -0.7743835E-01 7.601927 
1 1 1    8   23   27 o   45.187   2.7832  244.045   29.552  241.500   41.755  246.600   41.832   44.662   4.0016   45.145   3.9642 -0.4830856 5.632775 
1 1 1    8   23   28 o   59.073   3.3943  419.023   47.149  464.500   66.772  373.800   66.586   61.782   4.6101   55.170   5.1715 6.611275 6.928030 
1 1 1    8   23   29 o   44.769   2.7599  239.939   29.034  251.200   41.080  228.700   41.041   45.519   3.8582   43.357   4.0558 2.161263 5.597761 
1 1 1    8   23   30 o   44.674   2.7621  239.194   28.995  247.600   41.019  230.800   40.991   45.133   3.8868   43.516   4.0350 1.617424 5.602520 
1 1 1    8   23   31 o   37.361   2.4016  167.147   21.075  154.100   29.744  180.300   29.864   35.555   3.5920   38.572   3.3109 -3.016678 4.885136 
1 1 1    8   23   32 o   18.523   1.7250   41.104   7.4581   37.400   10.483   44.900   10.613   17.490   2.6188   19.246   2.3865 -1.756365 3.543103 
1 1 1    8   23   33 o   38.660   2.5206  179.910   22.885  188.400   32.345  171.400   32.383   39.212   3.5311   37.311   3.7254 1.901318 5.132903 
1 1 1    8   23   34 o   24.900   1.8510   74.279   10.806   90.500   15.388   58.500   15.177   27.371   2.4052   21.797   3.0307 5.574577 3.869132 
1 1 1    8   23   35 o   42.429   2.6988  218.104   26.899  212.500   38.055  223.700   38.027   41.286   3.9516   42.432   3.8367 -1.145176 5.507796 
1 1 1    8   23   36 o   40.291   2.5393  196.493   24.035  215.300   34.043  177.800   33.940   41.740   3.4858   37.713   3.8658 4.027206 5.205305 
1 1 1    8   23   37 o   37.934   2.5024  174.302   22.290  176.000   31.506  172.600   31.539   37.628   3.5894   37.237   3.6330 0.3905334 5.107141 
1 1 1    8   23   38 o   21.490   1.8582   55.611   9.3367   53.400   13.238   57.800   13.171   20.811   2.7619   21.708   2.6226 -0.8967323 3.808707 
1 1 1    8   23   39 o   16.137   1.7043   31.430   6.3960   33.600   9.0875   29.300   9.0036   16.524   2.3991   15.363   2.5729 1.161160 3.517924 
1 1 1    8   23   40 o   13.669   1.5673   22.588   4.9674   30.700   7.1700   15.100   6.8885   15.875   1.9540   10.920   2.6891 4.954233 3.324082 
1 1 1    8   23   41 o   25.738   2.0088   80.305   12.112   79.000   17.161   81.600   17.098   25.159   2.9443   25.604   2.8778 -0.4453335 4.117087 
1 1 1    8   23   42 o   6.5482   1.7190   5.3363   2.6919   3.8000   3.9255   6.7000   3.6984   6.0389   2.1660   7.3370   2.0536 -1.298157 2.984773 
1 1 1    8   23   43 o   14.735   1.7827   26.538   6.0766   26.000   8.1810   27.200   9.0755   14.355   2.5045   14.609   2.7312 -0.2539263 3.705615 
1 1 1    8   23   44 o   18.011   1.9127   39.738   8.0104   46.300   11.098   32.600   11.574   19.225   2.5041   15.788   3.2138 3.436730 4.074188 
1 1 1    8   23   45 o   6.2249   1.9378   4.6987   3.1528   4.1000   3.7289   6.2000   5.9047   6.0787   2.1173   7.4737   2.6591 -1.395051 3.399081 
1 1 1    8   23   46 o   17.573   2.6121   39.300   10.510   39.300   10.510   0.0000   0.0000   17.573   2.6121  ?   ?  0.000000 2.612128 
1 1 1    8   23   47 o   6.8693   2.1901   5.8000   4.0048   5.8000   4.0048   0.0000   0.0000   6.8693   2.1901  ?   ?  0.000000 2.190111 
1 1 1    8   23   48 o   21.627   2.9023   62.300   14.448   62.300   14.448   0.0000   0.0000   21.627   2.9023  ?   ?  0.000000 2.902287 
1 1 1    8   23   49 f   4.4939   1.9938  -0.9000   4.2160  -0.9000   4.2160   0.0000   0.0000   4.4939   1.9938  ?   ?  0.000000 1.993766 
1 1 1    8   23   50 o   16.009   2.8733   36.000   10.463   36.000   10.463   0.0000   0.0000   16.009   2.8733  ?   ?  0.000000 2.873264 
1 1 1    8   23   51 o   7.7081   2.5839   8.1000   5.5419   8.1000   5.5419   0.0000   0.0000   7.7081   2.5839  ?   ?  0.000000 2.583930 
1 1 1    8   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   24    0 o  244.190   19.314  7409.70  1097.66  7409.70  1097.66  7409.70  1097.66  244.190   19.314  244.190   19.314 0.000000 0.000000 
1 1 1    8   24    1 o   30.896   2.1834  113.368   15.827  105.300   22.408  121.400   22.357   29.658   3.2531   31.898   3.0036 -2.240604 4.427620 
1 1 1    8   24    2 o  151.846   8.3126  2765.52  296.927  2920.20  419.412  2610.10  420.426  154.944   11.546  146.150   12.297 8.793289 16.86757 
1 1 1    8   24    3 o   37.573   2.3551  167.513   20.790  208.700   29.469  126.700   29.335   41.901   2.9982   32.480   3.9029 9.420662 4.921589 
1 1 1    8   24    4 o  122.797   6.6720  1800.65  192.740  1818.80  272.219  1782.40  272.935  122.723   9.4667  121.445   9.5955 1.277946 13.47935 
1 1 1    8   24    5 o  245.614   12.834  7368.98  741.781  6781.70  1046.28  7962.50  1051.82  230.736   19.383  251.512   17.826 -20.77539 26.33315 
1 1 1    8   24    6 o  120.382   6.6118  1731.11  187.230  1927.60  264.641  1534.20  264.925  126.467   8.9189  112.424   10.087 14.04309 13.46427 
1 1 1    8   24    7 o  218.169   11.709  5795.77  601.000  6905.40  850.184  4687.40  849.699  235.674   15.361  191.395   19.054 44.27863 24.47469 
1 1 1    8   24    8 o  198.465   10.800  4781.15  504.233  4913.20  712.813  4648.90  713.373  198.495   15.326  192.727   15.815 5.767822 22.02265 
1 1 1    8   24    9 o  190.093   10.430  4383.19  466.405  4960.30  659.344  3805.20  659.847  200.141   14.040  173.788   16.268 26.35289 21.48915 
1 1 1    8   24   10 o   48.530   2.9247  279.642   33.360  341.000   47.180  218.300   47.175   53.522   3.7569   42.623   4.7688 10.89883 6.070923 
1 1 1    8   24   11 o   70.500   4.0215  591.131   66.671  610.300   94.089  571.800   94.487   71.394   5.6267   69.052   5.8498 2.342049 8.116588 
1 1 1    8   24   12 o  207.234   11.550  5269.56  562.979  5794.10  795.564  4743.40  796.784  213.831   15.869  191.703   17.805 22.12746 23.85035 
1 1 1    8   24   13 o   45.043   2.7865  241.016   29.492  243.300   41.569  238.700   41.850   45.121   3.9410   44.680   4.0093 0.4412956 5.621922 
1 1 1    8   24   14 f  132.424   7.2089  2111.66  224.574  2128.50  317.519  2094.80  317.672  131.637   10.297  130.538   10.392 1.098816 14.62922 
1 1 1    8   24   15 o  160.490   8.2505  3123.06  311.615  3686.70  441.335  2562.70  440.048  172.775   10.873  142.413   13.237 30.36157 17.12995 
1 1 1    8   24   16 o   93.424   4.9894  1043.66  109.672  1193.60  155.274  894.400  154.925   99.457   6.6498   85.690   7.7401 13.76785 10.20436 
1 1 1    8   24   17 o  107.301   5.9685  1385.20  150.630  1424.60  212.498  1345.40  213.551  107.848   8.4106  104.648   8.7213 3.199158 12.11608 
1 1 1    8   24   18 o   99.967   5.1980  1199.14  122.280  1419.00  173.191  980.600  172.669  108.165   6.8156   89.252   8.2874 18.91279 10.73005 
1 1 1    8   24   19 o   65.566   3.7145  513.129   57.274  567.000   81.051  459.400   80.944   68.631   5.0363   61.585   5.6282 7.046001 7.552589 
1 1 1    8   24   20 o   30.680   2.1327  111.992   15.355   97.400   21.672  126.700   21.759   28.439   3.2878   32.550   2.8598 -4.111670 4.357581 
1 1 1    8   24   21 o   97.873   5.3610  1156.96  123.429  1235.00  174.708  1079.20  174.404  100.107   7.4439   93.244   7.9983 6.862717 10.92632 
1 1 1    8   24   22 o   23.168   1.9261   63.995   10.442   56.900   14.814   71.000   14.720   21.680   2.9719   24.321   2.6036 -2.641047 3.951037 
1 1 1    8   24   23 o   62.058   3.5927  461.301   52.422  454.300   74.144  468.300   74.129   61.113   5.1868   62.083   5.1017 -0.9698296 7.275284 
1 1 1    8   24   24 o   38.619   2.4854  177.832   22.545  164.700   31.861  191.000   31.905   36.935   3.7030   39.860   3.4229 -2.925705 5.042697 
1 1 1    8   24   25 f   81.145   4.4986  795.709   85.860  886.100  121.520  705.600  121.330   84.840   6.1066   75.229   6.9071 9.610924 9.219467 
1 1 1    8   24   26 o   58.885   3.4230  416.016   47.392  399.300   66.954  432.800   67.090   57.170   5.0101   59.614   4.8069 -2.443508 6.943146 
1 1 1    8   24   27 o   29.053   2.1152  100.710   14.412   93.700   20.396  107.700   20.366   27.835   3.1590   29.914   2.9205 -2.078922 4.302158 
1 1 1    8   24   28 o   32.503   2.2398  126.147   17.086  127.400   24.193  124.900   24.134   32.480   3.1958   32.151   3.2224 0.3292351 4.538354 
1 1 1    8   24   29 o   8.7090   1.6217   9.2773   3.2122   14.600   4.6209   4.3000   4.4685   10.944   1.8543   6.4943   2.3129 4.449451 2.964503 
1 1 1    8   24   30 o   42.621   2.6805  217.950   26.840  218.100   37.908  217.800   38.007   42.286   3.8382   42.252   3.8517 0.3395081E-01 5.437618 
1 1 1    8   24   31 o   35.076   2.3405  147.489   19.275  142.300   26.978  152.900   27.548   34.170   3.3882   35.449   3.3300 -1.279144 4.750703 
1 1 1    8   24   32 f   53.025   3.3646  341.993   41.910  381.200   59.051  302.200   59.491   55.333   4.5600   48.824   5.2421 6.508995 6.947940 
1 1 1    8   24   33 o   7.1610   1.6805   6.3430   2.7928   0.5000   3.7083   14.000   4.2451   4.7418   1.9817   10.713   1.7376 -5.971339 2.635586 
1 1 1    8   24   34 o   11.002   1.6949   14.740   4.2620   13.000   6.0108   16.500   6.0443   10.200   2.5121   11.536   2.2995 -1.335738 3.405610 
1 1 1    8   24   35 o   73.649   4.3268  680.920   74.918  659.400  105.876  702.500  106.023   69.966   6.4821   72.535   6.2510 -2.569595 9.005136 
1 1 1    8   24   36 o   15.383   1.6680   28.524   5.9619   35.400   8.4787   21.800   8.3848   17.053   2.1535   13.181   2.7813 3.872058 3.517575 
1 1 1    8   24   37 o   34.208   2.3204  141.436   18.633  150.200   26.371  132.700   26.330   34.884   3.2384   32.669   3.4661 2.215065 4.743537 
1 1 1    8   24   38 o   9.3400   1.6775   10.718   3.5638   15.300   5.0576   6.2000   5.0224   11.138   1.9964   7.3588   2.4599 3.778761 3.168050 
1 1 1    8   24   39 o   25.290   1.9879   77.242   11.776   85.500   16.662   69.000   16.645   26.371   2.7144   23.531   3.0687 2.840160 4.096939 
1 1 1    8   24   40 o   27.960   2.0852   94.748   13.668   95.600   19.353   93.900   19.306   27.710   3.0059   27.449   3.0290 0.2606907 4.267334 
1 1 1    8   24   41 o   8.1786   1.7261   8.3211   3.2288   7.2000   4.7292   9.3000   4.4189   7.6812   2.3703   8.5988   2.1748 -0.9175963 3.216884 
1 1 1    8   24   42 o   13.359   1.6939   21.781   5.2235   18.800   7.3049   24.900   7.4722   12.139   2.6249   14.114   2.3229 -1.974847 3.505123 
1 1 1    8   24   43 o   19.394   1.8908   45.933   8.5492   47.800   11.842   43.900   12.355   19.494   2.6405   18.546   2.9176 0.9473171 3.935009 
1 1 1    8   24   44 o   11.130   1.8644   15.379   4.7268   15.800   6.2129   14.800   7.2834   11.126   2.4327   10.687   2.8383 0.4388895 3.738168 
1 1 1    8   24   45 o   14.258   1.7631   24.962   5.8098   24.300   8.0005   25.700   8.4505   13.792   2.5505   14.164   2.6231 -0.3723507 3.658694 
1 1 1    8   24   46 o   37.623   3.9184  192.800   34.301  192.800   34.301   0.0000   0.0000   37.623   3.9184  ?   ?  0.000000 3.918423 
1 1 1    8   24   47 o   12.494   2.5834   20.500   7.3703   20.500   7.3703   0.0000   0.0000   12.494   2.5834  ?   ?  0.000000 2.583425 
1 1 1    8   24   48 o   6.7348   2.4069   5.3000   4.8427   5.3000   4.8427   0.0000   0.0000   6.7348   2.4069  ?   ?  0.000000 2.406875 
1 1 1    8   24   49 o   6.8301   2.4291   5.7000   4.9270   5.7000   4.9270   0.0000   0.0000   6.8301   2.4291  ?   ?  0.000000 2.429131 
1 1 1    8   24   50 f   3.0391   1.4396  -3.0000   2.7561  -3.0000   2.7561   0.0000   0.0000   3.0391   1.4396  ?   ?  0.000000 1.439600 
1 1 1    8   24   51 o   6.0811   2.3513   3.9000   4.7994   3.9000   4.7994   0.0000   0.0000   6.0811   2.3513  ?   ?  0.000000 2.351310 
1 1 1    8   25    0 o  156.078   12.231  2972.90  444.415  2972.90  444.415  2972.90  444.415  156.078   12.231  156.078   12.231 0.000000 0.000000 
1 1 1    8   25    1 o  140.345   7.7129  2361.60  254.629  2620.20  359.858  2102.30  360.343  146.944   10.439  131.053   11.770 15.89052 15.73193 
1 1 1    8   25    2 o  190.697   10.222  4400.70  458.640  4277.60  647.318  4524.80  649.919  185.495   14.904  191.051   14.515 -5.556396 20.80403 
1 1 1    8   25    3 o   65.959   3.8327  517.020   59.438  576.400   83.939  457.300   84.179   69.485   5.1525   61.739   5.8436 7.746086 7.790747 
1 1 1    8   25    4 o   99.818   4.8597  1182.46  114.547  1561.70  162.421  807.200  161.568  114.400   6.0339   81.621   8.5079 32.77860 10.43032 
1 1 1    8   25    5 o  104.882   5.6949  1311.94  140.514  1539.50  198.743  1084.50  198.690  113.247   7.4740   94.583   9.0048 18.66380 11.70243 
1 1 1    8   25    6 o  134.182   7.3367  2158.24  231.583  2288.50  327.266  2027.60  327.749  137.251   10.170  128.887   10.870 8.363419 14.88603 
1 1 1    8   25    7 o   56.284   3.3626  376.362   44.487  425.500   62.811  326.900   63.017   59.723   4.4866   52.200   5.1809 7.522621 6.853542 
1 1 1    8   25    8 o  204.587   11.306  5113.87  544.061  5458.90  768.789  4767.70  770.050  208.167   15.757  193.464   17.030 14.70244 23.20086 
1 1 1    8   25    9 o  112.250   6.1432  1506.86  162.215  1546.40  229.237  1467.20  229.577  113.018   8.6554  109.986   8.9163 3.032196 12.42643 
1 1 1    8   25   10 o  180.801   9.9286  3977.37  422.264  4065.50  596.251  3888.70  598.097  180.112   14.133  175.841   14.534 4.270828 20.27271 
1 1 1    8   25   11 o  164.467   13.082  3377.40  503.854  3377.40  503.854   0.0000   0.0000  164.467   13.082  ?   ?  0.000000 13.08183 
1 1 1    8   25   12 f   74.418   4.2156  659.768   73.775  845.000  104.314  474.400  104.353   84.051   5.2827   62.463   7.2072 21.58839 8.935915 
1 1 1    8   25   13 o   97.484   5.5069  1137.62  126.247  1332.60  178.370  941.900  178.711  105.029   7.2361   87.733   8.7428 17.29598 11.34892 
1 1 1    8   25   14 o   32.535   2.0181  125.657   15.428  155.000   21.988   97.200   21.653   36.092   2.5973   28.446   3.2840 7.646553 4.186917 
1 1 1    8   25   15 o  153.536   8.1110  2870.11  293.026  3251.70  414.830  2490.10  413.974  161.489   10.943  139.976   12.661 21.51358 16.73505 
1 1 1    8   25   16 o   23.703   1.9464   66.900   10.798   74.700   15.222   59.000   15.320   24.976   2.6200   22.105   3.0135 2.871651 3.993214 
1 1 1    8   25   17 o   74.893   4.2969  670.910   75.672  768.400  106.929  573.100  107.104   79.786   5.7134   68.549   6.7025 11.23687 8.807191 
1 1 1    8   25   18 o   51.660   3.0398  317.899   36.918  348.600   52.297  287.400   52.124   53.909   4.1398   48.829   4.5739 5.080662 6.169159 
1 1 1    8   25   19 o   45.020   2.7755  241.398   29.362  237.600   41.516  245.200   41.533   44.455   3.9976   45.178   3.9324 -0.7236977 5.607560 
1 1 1    8   25   20 o   26.342   2.0029   82.636   12.365   76.700   17.466   88.600   17.508   25.233   2.9895   27.180   2.7664 -1.947054 4.073050 
1 1 1    8   25   21 o   34.946   2.3058  145.432   18.921  132.500   26.688  158.500   26.828   33.165   3.4587   36.360   3.1561 -3.194511 4.682235 
1 1 1    8   25   22 o   85.254   4.7592  877.708   95.428  824.800  134.902  930.700  135.009   81.546   7.0759   86.905   6.6290 -5.358315 9.695925 
1 1 1    8   25   23 o   21.732   1.8530   56.345   9.4182   63.100   13.324   49.600   13.315   22.917   2.5029   20.222   2.8689 2.694862 3.807179 
1 1 1    8   25   24 f   21.209   1.8231   53.678   9.0417   57.600   12.908   49.900   12.669   21.870   2.5472   20.307   2.7096 1.563303 3.718864 
1 1 1    8   25   25 o   57.241   3.3630  392.950   45.256  392.900   64.033  393.000   63.971   56.778   4.8215   56.787   4.8160 -0.9403229E-02 6.814741 
1 1 1    8   25   26 o   22.596   1.8959   60.961   10.022   57.000   14.193   64.900   14.155   21.690   2.8392   23.206   2.6295 -1.515940 3.869803 
1 1 1    8   25   27 o   76.186   4.3425  704.349   77.799  733.000  110.027  675.700  110.022   76.720   6.1244   73.465   6.4063 3.254730 8.862747 
1 1 1    8   25   28 o   17.975   1.7827   38.693   7.4670   35.800   10.641   41.500   10.481   17.117   2.7238   18.510   2.4588 -1.392607 3.669398 
1 1 1    8   25   29 o   17.974   1.7509   38.698   7.3368   36.300   10.371   41.100   10.381   17.244   2.6302   18.408   2.4489 -1.164074 3.593804 
1 1 1    8   25   30 o   28.556   2.0724   97.581   13.879   91.900   19.596  103.300   19.660   27.486   3.0718   29.206   2.8886 -1.720697 4.216652 
1 1 1    8   25   31 o   22.702   1.9000   61.768   10.092   65.700   14.240   57.800   14.304   23.264   2.6388   21.750   2.8540 1.514008 3.886996 
1 1 1    8   25   32 f   10.829   1.6487   14.254   4.0829   14.800   5.7542   13.700   5.7943   10.922   2.3036   10.491   2.3921 0.4307995 3.320931 
1 1 1    8   25   33 o   25.542   1.9897   78.350   11.906   89.700   16.837   67.000   16.837   27.169   2.6585   23.305   3.1394 3.863871 4.113826 
1 1 1    8   25   34 o   31.118   2.1888  116.584   15.981  112.700   22.555  120.500   22.645   30.260   3.2053   31.340   3.1007 -1.079529 4.459583 
1 1 1    8   25   35 o   17.886   1.7704   38.523   7.3789   33.500   10.460   43.500   10.411   16.421   2.7978   18.876   2.3893 -2.454393 3.679176 
1 1 1    8   25   36 o   10.321   1.7232   13.040   4.0516   14.900   5.6698   11.100   5.7919   10.941   2.2691   9.4297   2.5429 1.510852 3.408099 
1 1 1    8   25   37 o   25.168   1.9502   76.287   11.500   67.600   16.205   85.100   16.322   23.365   3.0069   26.379   2.6564 -3.014429 4.012267 
1 1 1    8   25   38 o   14.102   1.6859   24.076   5.5025   25.900   7.8341   22.300   7.7302   14.469   2.3753   13.361   2.5430 1.108086 3.479754 
1 1 1    8   25   39 o   4.7494   1.5683   2.5698   2.0433   0.1000   2.8453   5.2000   2.9363   4.0432   1.7153   6.4981   1.8337 -2.454842 2.510939 
1 1 1    8   25   40 o   24.769   2.0073   74.446   11.640   81.300   16.407   67.500   16.516   25.597   2.7579   23.152   3.0989 2.444864 4.148391 
1 1 1    8   25   41 o   26.038   1.9558   82.316   11.938   97.900   16.928   66.900   16.837   28.135   2.5766   22.931   3.1963 5.204336 4.105513 
1 1 1    8   25   42 o   39.959   2.6236  198.045   24.618  192.700   34.638  203.500   34.995   38.353   3.8780   39.497   3.7991 -1.144123 5.428756 
1 1 1    8   25   43 o   43.400   2.8489  236.372   29.034  238.000   40.783  234.700   41.344   42.200   4.1462   41.785   4.2493 0.4153137 5.936961 
1 1 1    8   25   44 f   11.175   1.9352   15.575   4.9219   21.300   6.6858   8.8000   7.2725   13.007   2.2586   8.6070   2.9592 4.400454 3.722655 
1 1 1    8   25   45 o   29.881   2.1297  110.073   14.929  100.200   20.598  121.000   21.668   27.785   3.1977   30.694   3.0290 -2.909292 4.404578 
1 1 1    8   25   46 o   9.3987   2.4457   11.500   5.4802   11.500   5.4802   0.0000   0.0000   9.3987   2.4457  ?   ?  0.000000 2.445733 
1 1 1    8   25   47 o   10.559   2.7668   15.100   6.9819   15.100   6.9819   0.0000   0.0000   10.559   2.7668  ?   ?  0.000000 2.766806 
1 1 1    8   25   48 o   11.214   2.7398   17.400   7.1933   17.400   7.1933   0.0000   0.0000   11.214   2.7398  ?   ?  0.000000 2.739829 
1 1 1    8   25   49 o   10.590   2.7261   15.800   6.8574   15.800   6.8574   0.0000   0.0000   10.590   2.7261  ?   ?  0.000000 2.726085 
1 1 1    8   25   50 o   4.9920   2.0961   1.2000   4.1789   1.2000   4.1789   0.0000   0.0000   4.9920   2.0961  ?   ?  0.000000 2.096128 
1 1 1    8   25   51 o   8.4209   2.6991   10.100   6.0765   10.100   6.0765   0.0000   0.0000   8.4209   2.6991  ?   ?  0.000000 2.699114 
1 1 1    8   26    0 o   98.139   7.8497  1167.10  179.234  1167.10  179.234  1167.10  179.234   98.139   7.8497   98.139   7.8497 0.000000 0.000000 
1 1 1    8   26    1 o   39.959   2.5806  189.609   24.219  193.500   34.214  185.700   34.289   40.255   3.6386   39.418   3.7281 0.8374481 5.209462 
1 1 1    8   26    2 o   75.156   4.2420  671.959   74.975  685.100  105.795  658.700  106.267   75.613   5.9739   74.104   6.1279 1.509155 8.557931 
1 1 1    8   26    3 o   86.243   4.5991  885.307   93.323  799.200  131.529  972.600  132.432   81.508   6.8985   90.108   6.2629 -8.600197 9.317315 
1 1 1    8   26    4 o  119.619   6.5635  1713.01  184.686  1895.40  261.073  1530.30  261.297  125.144   8.8925  112.016   9.9832 13.12815 13.36940 
1 1 1    8   26    5 o  113.568   5.5273  1535.08  148.228  1247.00  208.758  1828.00  210.504  101.379   8.8079  123.370   7.2578 -21.99068 11.41295 
1 1 1    8   26    6 o   33.474   2.4081  133.191   18.907  172.600   26.642   93.200   26.838   38.072   2.9874   27.715   4.2353 10.35699 5.182919 
1 1 1    8   26    7 o   81.269   4.5127  786.719   86.260  891.200  122.008  682.300  121.972   86.228   6.0300   75.194   6.9479 11.03432 9.199702 
1 1 1    8   26    8 o   78.726   4.3038  738.027   79.704  685.600  112.428  791.000  113.013   75.482   6.3671   81.209   5.9345 -5.726791 8.703912 
1 1 1    8   26    9 o  102.608   5.6677  1259.60  136.794  1327.20  193.309  1191.80  193.602  104.706   7.8761   99.036   8.3566 5.670357 11.48330 
1 1 1    8   26   10 o  251.376   13.866  7970.09  819.904  9546.60  1159.94  6395.90  1159.09  268.829   18.383  213.036   23.428 55.79320 29.77930 
1 1 1    8   26   11 o   72.075   5.8214  624.800   98.232  624.800   98.232   0.0000   0.0000   72.075   5.8214  ?   ?  0.000000 5.821411 
1 1 1    8   26   12 o  107.869   6.0142  1397.66  152.583  1539.20  215.587  1255.60  215.982  112.422   8.1770  101.087   9.1473 11.33471 12.26931 
1 1 1    8   26   13 o  127.418   6.9743  1962.70  209.045  1965.60  295.490  1959.80  295.779  125.973   10.016  125.770   10.043 0.2029419 14.18403 
1 1 1    8   26   14 o   54.736   3.0674  356.422   39.487  428.200   55.972  285.300   55.715   59.867   3.9820   48.638   4.9186 11.22942 6.328450 
1 1 1    8   26   15 o   83.959   4.5049  843.413   88.987  728.300  125.664  959.200  126.031   77.281   6.9608   89.103   6.0254 -11.82193 9.206416 
1 1 1    8   26   16 o   39.458   2.5268  185.240   23.420  179.200   33.093  191.300   33.147   38.640   3.6711   39.954   3.5503 -1.314594 5.107009 
1 1 1    8   26   17 o   46.294   2.8091  255.207   30.563  272.800   43.276  237.700   43.171   47.691   3.8764   44.440   4.1623 3.250641 5.687817 
1 1 1    8   26   18 o   85.079   4.7437  870.285   94.923  849.100  134.193  891.500  134.290   83.211   6.8915   85.353   6.7171 -2.142693 9.623572 
1 1 1    8   26   19 o  119.638   6.5705  1749.55  184.913  1663.50  261.276  1835.90  261.737  114.333   9.7714  120.577   9.2634 -6.244057 13.46443 
1 1 1    8   26   20 o   54.670   3.2248  357.147   41.447  373.500   58.620  340.800   58.610   55.604   4.5032   53.036   4.7295 2.568176 6.530487 
1 1 1    8   26   21 o   61.834   3.5428  457.881   51.514  489.600   72.931  426.300   72.772   63.548   4.8979   59.151   5.2651 4.396870 7.190972 
1 1 1    8   26   22 o   59.253   3.4620  420.610   48.229  412.800   68.250  428.400   68.162   58.241   5.0115   59.375   4.9055 -1.133801 7.012782 
1 1 1    8   26   23 o   8.9713   1.7790   9.8676   3.6356   7.8000   5.1637   11.900   5.1196   8.0953   2.4733   9.8196   2.2554 -1.724233 3.347251 
1 1 1    8   26   24 o   78.624   4.4416  747.924   82.126  769.300  116.214  726.600  116.072   78.799   6.2982   76.459   6.4903 2.340668 9.043856 
1 1 1    8   26   25 o   47.142   2.8798  265.900   31.904  266.600   45.116  265.200   45.121   46.885   4.1168   46.757   4.1292 0.1282082 5.830768 
1 1 1    8   26   26 o   35.070   2.3388  146.888   19.257  149.800   27.290  144.000   27.178   35.217   3.3209   34.509   3.3786 0.7080956 4.737407 
1 1 1    8   26   27 o   9.6211   1.6888   11.293   3.6968   13.600   5.3594   9.2000   5.1059   10.499   2.2306   8.6651   2.4085 1.833839 3.282749 
1 1 1    8   26   28 o   3.8738   1.4987   1.1264   1.9506   6.6000   2.8192  -3.9000   2.7016   7.3150   1.6690   2.8800   1.3810 4.434968 2.166265 
1 1 1    8   26   29 o   25.742   1.9595   79.261   11.821   74.600   16.650   84.000   16.787   24.775   2.9008   26.347   2.7382 -1.571928 3.989027 
1 1 1    8   26   30 o   21.540   1.8486   55.596   9.3116   58.900   13.177   52.300   13.160   22.028   2.5822   20.698   2.7614 1.330029 3.780624 
1 1 1    8   26   31 o   51.790   3.1395  325.657   38.213  341.300   54.030  310.000   54.053   52.334   4.4133   49.713   4.6589 2.620834 6.417334 
1 1 1    8   26   32 o   42.641   2.6982  219.847   27.028  218.500   38.186  221.200   38.261   41.982   3.8963   42.252   3.8782 -0.2693138 5.497411 
1 1 1    8   26   33 o   35.578   2.3880  152.701   19.946  152.900   28.156  152.500   28.260   35.210   3.4300   35.156   3.4486 0.5431366E-01 4.863881 
1 1 1    8   26   34 o   39.108   2.5667  185.178   23.572  191.900   33.267  178.400   33.405   39.341   3.6217   37.836   3.7898 1.504375 5.242020 
1 1 1    8   26   35 o   21.850   1.8731   57.450   9.5711   65.000   13.536   49.900   13.536   23.084   2.5243   20.068   2.9438 3.015377 3.877897 
1 1 1    8   26   36 o   11.371   1.6954   15.754   4.4135   17.200   6.2336   14.300   6.2496   11.759   2.3274   10.675   2.5197 1.083384 3.430124 
1 1 1    8   26   37 o   19.475   1.7612   45.677   8.0117   38.700   11.233   52.900   11.430   17.643   2.7890   20.815   2.3675 -3.172243 3.658382 
1 1 1    8   26   38 o   27.660   2.0573   92.528   13.341   96.900   18.916   88.200   18.819   27.988   2.9044   26.629   3.0478 1.359081 4.210049 
1 1 1    8   26   39 o   23.037   1.8902   64.204   10.192   69.100   14.483   59.400   14.345   23.645   2.6389   21.820   2.8524 1.824530 3.885896 
1 1 1    8   26   40 o   34.802   2.3004  147.883   18.798  167.900   26.663  128.100   26.507   36.605   3.1142   31.627   3.6141 4.977142 4.770757 
1 1 1    8   26   41 o   21.354   1.8381   55.397   9.1783   71.400   13.022   39.600   12.938   24.074   2.3194   17.492   3.2521 6.582333 3.994481 
1 1 1    8   26   42 f   29.543   2.2475  107.277   15.562  111.700   21.706  102.600   22.322   29.602   3.1537   28.178   3.4252 1.424437 4.655962 
1 1 1    8   26   43 o   10.230   1.8789   13.049   4.3717   14.100   5.8300   11.700   6.6077   10.509   2.4017   9.5637   2.7677 0.9457378 3.664502 
1 1 1    8   26   44 o   20.289   1.9404   50.533   9.1834   54.300   12.696   46.400   13.299   20.708   2.6578   18.903   3.0859 1.804892 4.072682 
1 1 1    8   26   45 f   3.6606   1.5460   0.1998   2.2947   2.1000   2.7194  -4.5000   4.2767   4.7555   1.7863   3.8421   1.8119 0.9133527 2.544351 
1 1 1    8   26   46 o   21.794   3.0726   63.500   15.374   63.500   15.374   0.0000   0.0000   21.794   3.0726  ?   ?  0.000000 3.072632 
1 1 1    8   26   47 o   2.6601   1.2887  -4.0000   2.5007  -4.0000   2.5007   0.0000   0.0000   2.6601   1.2887  ?   ?  0.000000 1.288687 
1 1 1    8   26   48 o   12.024   2.8183   20.300   7.8626   20.300   7.8626   0.0000   0.0000   12.024   2.8183  ?   ?  0.000000 2.818274 
1 1 1    8   26   49 o   4.5314   1.9753  -0.1000   3.9727  -0.1000   3.9727   0.0000   0.0000   4.5314   1.9753  ?   ?  0.000000 1.975255 
1 1 1    8   26   50 o   1.9260   0.9746  -7.4000   2.1850  -7.4000   2.1850   0.0000   0.0000   1.9260   0.9746  ?   ?  0.000000 0.9745756 
1 1 1    8   27    0 o   10.376   3.3247   16.100   7.1840   16.100   7.1840   16.100   7.1840   10.376   3.3247   10.376   3.3247 -0.000000 0.000000 
1 1 1    8   27    1 o  100.560   5.3966  1207.66  127.678  1352.00  180.902  1064.40  180.228  105.940   7.2755   93.670   8.2317 12.27055 10.98610 
1 1 1    8   27    2 o  173.889   9.3506  3673.66  382.539  3997.10  541.738  3352.00  540.248  179.175   12.890  163.137   14.165 16.03755 19.15203 
1 1 1    8   27    3 o   61.203   3.5421  445.428   50.973  442.200   71.839  448.700   72.337   60.757   5.0531   61.205   5.0502 -0.4481087 7.144130 
1 1 1    8   27    4 o  272.038   15.241  9396.51  975.112  9142.30  1376.63  9652.50  1381.42  257.387   22.889  265.565   22.233 -8.177277 31.90965 
1 1 1    8   27    5 o  227.355   12.743  6440.09  681.362  6871.90  963.103  6007.40  964.079  229.131   17.944  212.396   19.438 16.73506 26.45375 
1 1 1    8   27    6 o  132.479   7.2530  2114.60  226.033  2146.20  319.177  2082.80  320.143  132.135   10.311  130.056   10.514 2.079239 14.72649 
1 1 1    8   27    7 o  132.513   7.1321  2115.65  222.349  2529.50  314.584  1702.50  314.314  143.946   9.3048  116.921   11.535 27.02522 14.81985 
1 1 1    8   27    8 o  121.129   6.6297  1765.23  188.909  1924.50  267.136  1605.90  267.179  125.492   9.0760  114.157   10.013 11.33540 13.51389 
1 1 1    8   27    9 o  129.981   7.1905  2040.79  219.842  2213.00  310.688  1868.10  311.118  134.054   9.8846  122.585   10.860 11.46880 14.68509 
1 1 1    8   27   10 o   77.663   4.3450  719.932   79.363  713.900  112.073  726.000  112.401   76.899   6.2253   77.562   6.1885 -0.6627884 8.777927 
1 1 1    8   27   11 o  131.256   7.3309  2088.91  226.307  2413.30  319.845  1763.70  320.248  139.731   9.7548  118.242   11.620 21.48950 15.17156 
1 1 1    8   27   12 o   46.450   2.8888  256.748   31.529  271.100   44.438  242.200   44.741   47.571   3.9929   44.896   4.2717 2.674545 5.847264 
1 1 1    8   27   13 o   16.633   1.7574   33.083   6.7981   35.300   9.5445   30.800   9.6848   17.095   2.4331   15.907   2.6731 1.187509 3.614594 
1 1 1    8   27   14 o   58.535   3.4021  408.547   46.822  396.200   66.209  420.900   66.223   57.330   4.9389   59.139   4.7831 -1.808796 6.875396 
1 1 1    8   27   15 o   48.391   2.9207  278.928   33.218  272.800   46.894  285.100   47.061   47.629   4.2129   48.716   4.1299 -1.087013 5.899534 
1 1 1    8   27   16 o   80.446   4.5132  776.697   85.387  761.900  120.743  791.500  120.768   78.978   6.5330   80.560   6.4013 -1.582001 9.146363 
1 1 1    8   27   17 o   27.672   2.0401   91.167   13.237   94.400   18.815   88.000   18.625   28.047   2.8819   27.056   2.9637 0.9905682 4.133873 
1 1 1    8   27   18 o   95.103   5.2962  1094.90  118.466  1076.00  167.521  1113.80  167.551   93.020   7.6957   94.736   7.5525 -1.716087 10.78260 
1 1 1    8   27   19 o   18.159   1.7518   39.395   7.4187   39.900   10.541   38.900   10.443   18.163   2.5262   17.928   2.5377 0.2349796 3.580701 
1 1 1    8   27   20 o   63.364   3.6302  481.205   54.090  459.900   76.415  502.600   76.576   61.418   5.3215   64.311   5.0840 -2.893135 7.359688 
1 1 1    8   27   21 o   71.206   4.0459  609.984   67.747  567.100   95.791  652.900   95.827   67.877   6.0395   73.068   5.5964 -5.191704 8.233839 
1 1 1    8   27   22 o   72.873   4.1429  639.990   70.996  649.200  100.460  630.800  100.345   72.647   5.9074   71.562   5.9934 1.084862 8.415321 
1 1 1    8   27   23 o   37.183   2.4350  164.997   21.262  160.900   30.056  169.100   30.082   36.502   3.5311   37.449   3.4402 -0.9471474 4.929848 
1 1 1    8   27   24 o   45.397   2.7975  246.499   29.843  246.800   42.246  246.200   42.164   45.123   4.0065   45.069   4.0036 0.5443573E-01 5.663972 
1 1 1    8   27   25 o   42.823   2.5813  219.178   25.980  258.900   36.821  179.800   36.662   46.361   3.3869   38.397   4.1071 7.964420 5.323486 
1 1 1    8   27   26 o   43.061   2.6770  222.020   27.086  232.900   38.358  211.200   38.252   43.822   3.7427   41.657   3.9353 2.164623 5.430868 
1 1 1    8   27   27 o   44.805   2.7853  240.997   29.323  242.300   41.515  239.700   41.424   44.546   3.9889   44.299   4.0032 0.2468338 5.651293 
1 1 1    8   27   28 o   65.136   3.7915  516.424   58.065  535.200   82.173  497.700   82.059   65.347   5.3729   62.856   5.5869 2.490791 7.751223 
1 1 1    8   27   29 o   32.206   2.2337  124.388   16.882  120.700   23.837  128.100   23.913   31.449   3.2570   32.438   3.1622 -0.9883480 4.539517 
1 1 1    8   27   30 o   38.319   2.4810  176.724   22.329  171.100   31.506  182.400   31.650   37.305   3.6222   38.571   3.5135 -1.266537 5.046294 
1 1 1    8   27   31 o   44.319   2.7681  237.641   28.824  235.000   40.695  240.300   40.833   43.507   4.0061   44.016   3.9714 -0.5096207 5.641023 
1 1 1    8   27   32 o   65.093   3.8459  524.041   58.852  519.600   83.141  528.500   83.318   63.221   5.6280   63.806   5.5861 -0.5848045 7.929642 
1 1 1    8   27   33 o   60.996   3.6027  458.844   51.660  444.400   72.918  473.400   73.201   58.577   5.3300   60.632   5.1619 -2.054840 7.419815 
1 1 1    8   27   34 o   14.632   1.7147   25.866   5.8125   27.000   8.1626   24.700   8.2788   14.797   2.4198   14.099   2.5818 0.6974630 3.538495 
1 1 1    8   27   35 o   15.964   1.7337   30.754   6.4304   31.800   9.0754   29.700   9.1125   16.065   2.4716   15.486   2.5830 0.5793524 3.574985 
1 1 1    8   27   36 o   12.379   1.6438   18.585   4.6861   10.400   6.5819   27.000   6.6733   9.2079   2.7877   14.896   1.9434 -5.688574 3.398307 
1 1 1    8   27   37 o   36.385   2.4616  161.082   21.026  167.500   29.661  154.600   29.809   36.581   3.4755   35.028   3.6578 1.553329 5.045645 
1 1 1    8   27   38 o   18.724   1.7725   42.388   7.7440   43.600   11.007   41.200   10.897   18.766   2.5501   18.214   2.6079 0.5514107 3.647506 
1 1 1    8   27   39 o   6.0377   1.7838   4.4480   2.7195   5.5000   3.5734   3.0000   4.1924   6.7319   2.0576   5.8287   2.2115 0.9032125 3.020646 
1 1 1    8   27   40 o   8.4183   1.7055   8.8144   3.2741   7.6000   4.6583  10.0000   4.6029   7.8315   2.3395   8.8974   2.2026 -1.065888 3.213172 
1 1 1    8   27   41 o   10.209   1.7442   12.893   4.0539   11.300   5.3195   15.100   6.2610   9.4219   2.3879   10.876   2.4913 -1.454475 3.450893 
1 1 1    8   27   42 o   40.121   2.6609  200.461   25.066  197.900   35.183  203.100   35.720   38.745   3.8984   39.246   3.9063 -0.5005798 5.518751 
1 1 1    8   27   43 o   15.849   1.7407   30.708   6.4074   26.600   8.6908   35.600   9.4839   14.419   2.6501   16.813   2.4617 -2.393912 3.617014 
1 1 1    8   27   44 o   5.5271   1.8210   3.5784   2.7556   2.1000   3.3284   6.8000   4.9133   5.0547   1.9571   7.4669   2.4302 -2.412160 3.120265 
1 1 1    8   27   45 o   28.653   3.3303  110.000   22.112  110.000   22.112   0.0000   0.0000   28.653   3.3303  ?   ?  0.000000 3.330257 
1 1 1    8   27   46 o   7.1711   2.3149   6.5000   4.4638   6.5000   4.4638   0.0000   0.0000   7.1711   2.3149  ?   ?  0.000000 2.314947 
1 1 1    8   27   47 o   9.0770   2.6528   11.300   6.0438   11.300   6.0438   0.0000   0.0000   9.0770   2.6528  ?   ?  0.000000 2.652814 
1 1 1    8   27   48 o   5.6680   2.2399   2.9000   4.4345   2.9000   4.4345   0.0000   0.0000   5.6680   2.2399  ?   ?  0.000000 2.239852 
1 1 1    8   27   49 o   7.0812   2.5132   6.4000   5.2713   6.4000   5.2713   0.0000   0.0000   7.0812   2.5132  ?   ?  0.000000 2.513186 
1 1 1    8   27   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   28    0 o   14.699   3.1033   28.700   9.4778   28.700   9.4778   28.700   9.4778   14.699   3.1033   14.699   3.1033 0.000000 0.000000 
1 1 1    8   28    1 o  220.012   12.221  6040.23  632.400  5795.00  893.677  6286.20  895.021  208.677   18.322  218.448   17.498 -9.770828 25.33482 
1 1 1    8   28    2 o   84.529   4.6884  852.976   93.216  783.900  131.709  922.300  131.945   80.474   7.0008   87.496   6.4313 -7.022148 9.506448 
1 1 1    8   28    3 o  142.253   7.6587  2448.17  256.316  2124.30  362.105  2773.40  362.866  130.273   11.903  150.002   10.307 -19.72838 15.74504 
1 1 1    8   28    4 o   38.714   2.5199  178.138   22.911  182.900   32.273  173.300   32.531   39.108   3.5329   38.041   3.6669 1.067493 5.091904 
1 1 1    8   28    5 o   42.527   2.6798  214.979   26.773  228.900   37.823  201.000   37.903   43.759   3.6949   40.944   3.9702 2.815220 5.423501 
1 1 1    8   28    6 o  125.629   6.9327  1905.76  204.868  1961.00  289.300  1850.20  290.155  126.072   9.7947  122.250   10.143 3.822006 14.10011 
1 1 1    8   28    7 o  174.667   9.2875  3744.63  381.688  3431.20  538.488  4061.10  541.097  163.189   14.113  178.822   12.901 -15.63222 19.12086 
1 1 1    8   28    8 o   88.827   4.7420  943.667   99.105  1115.50  140.333  772.700  139.980   96.174   6.2125   79.552   7.5418 16.62219 9.771074 
1 1 1    8   28    9 o  109.441   6.1153  1443.69  157.405  1643.40  222.469  1243.50  222.741  115.875   8.1831  100.074   9.5414 15.80122 12.56986 
1 1 1    8   28   10 o   85.734   6.8749  893.900  138.011  893.900  138.011   0.0000   0.0000   85.734   6.8749  ?   ?  0.000000 6.874921 
1 1 1    8   28   11 o   72.127   4.1243  621.841   69.954  643.200   98.720  600.300   99.141   72.938   5.7791   70.376   6.0238 2.561752 8.347736 
1 1 1    8   28   12 o   25.874   1.9896   79.691   12.063   73.800   17.047   85.600   17.073   24.763   2.9749   26.729   2.7438 -1.966307 4.047053 
1 1 1    8   28   13 o   44.530   2.7542  236.100   28.818  259.900   40.755  212.300   40.755   46.572   3.7374   41.980   4.1663 4.591148 5.596999 
1 1 1    8   28   14 o   55.390   3.2519  365.993   42.347  380.700   59.903  351.300   59.873   56.225   4.5509   53.949   4.7482 2.276215 6.576945 
1 1 1    8   28   15 o   59.985   3.4784  429.895   49.059  422.900   69.355  436.900   69.404   59.120   5.0153   60.121   4.9322 -1.000698 7.034171 
1 1 1    8   28   16 o  100.688   5.1780  1224.93  122.697  1449.00  173.940  1003.00  173.103  108.649   6.8142   89.493   8.2853 19.15591 10.72754 
1 1 1    8   28   17 o   29.619   1.9053  104.317   13.255  140.900   18.872   68.700   18.621   34.389   2.3379   23.772   3.4154 10.61721 4.138880 
1 1 1    8   28   18 o   70.760   4.0328  601.407   67.104  638.500   94.890  564.300   94.908   72.357   5.5972   67.842   5.9858 4.514992 8.195003 
1 1 1    8   28   19 o   95.935   5.3564  1118.69  120.858  1198.70  170.930  1038.70  170.908   98.040   7.4387   90.815   8.0533 7.225739 10.96315 
1 1 1    8   28   20 o   62.834   3.4770  473.102   51.389  398.800   72.481  548.200   72.869   57.052   5.4463   67.288   4.6139 -10.23624 7.137955 
1 1 1    8   28   21 o   19.450   1.8084   45.200   8.2102   40.500   11.611   49.900   11.611   18.243   2.7835   20.347   2.4670 -2.103838 3.719399 
1 1 1    8   28   22 o   21.841   1.8697   56.950   9.5496   57.000   13.476   56.900   13.535   21.724   2.6839   21.702   2.6995 0.2246666E-01 3.806707 
1 1 1    8   28   23 o   29.721   2.1323  105.403   14.866   96.500   21.027  114.300   21.020   28.237   3.2105   30.820   2.9232 -2.582850 4.341938 
1 1 1    8   28   24 o   66.843   3.8496  539.592   60.506  547.400   85.614  531.800   85.523   66.568   5.4956   65.564   5.5770 1.003899 7.829762 
1 1 1    8   28   25 o   67.372   3.8676  549.472   61.272  573.200   86.703  525.800   86.601   68.009   5.4445   64.973   5.7022 3.036346 7.884031 
1 1 1    8   28   26 o   26.342   2.0069   82.956   12.390   89.900   17.578   76.100   17.466   27.283   2.7667   25.023   3.0168 2.259567 4.093353 
1 1 1    8   28   27 o   80.642   4.6382  802.194   87.950  840.600  124.390  763.800  124.372   80.852   6.5722   76.692   6.9429 4.159538 9.560220 
1 1 1    8   28   28 o   26.462   2.0188   83.896   12.519   74.200   17.701   93.600   17.709   24.622   3.1141   27.799   2.7331 -3.176535 4.143341 
1 1 1    8   28   29 o   13.478   1.7296   21.952   5.3778   20.000   7.7118   23.800   7.5032   12.676   2.6612   13.916   2.3681 -1.240221 3.562279 
1 1 1    8   28   30 o   17.374   1.7609   36.297   7.1244   36.400   10.208   36.200   9.9475   17.222   2.5905   17.189   2.5262 0.3293610E-01 3.618342 
1 1 1    8   28   31 f   27.258   2.0540   89.302   13.124   91.500   18.552   87.100   18.567   27.353   2.9173   26.653   3.0025 0.7000256 4.186363 
1 1 1    8   28   32 o   8.0958   1.7779   8.1157   3.3059   11.200   4.5929   4.8000   4.7621   9.4923   2.1043   6.7549   2.3897 2.737410 3.184100 
1 1 1    8   28   33 o   50.021   3.0661  305.597   36.041  319.000   50.975  292.200   50.965   50.294   4.3345   47.964   4.5544 2.329693 6.287366 
1 1 1    8   28   34 o   19.623   1.8047   46.351   8.2688   44.800   11.699   47.900   11.689   19.075   2.6705   19.765   2.5650 -0.6902313 3.702778 
1 1 1    8   28   35 o   34.548   2.2667  144.160   18.389  126.600   25.904  162.000   26.110   31.872   3.4995   36.301   3.0748 -4.428802 4.658454 
1 1 1    8   28   36 o   33.681   2.3134  137.538   18.288  135.200   25.796  139.900   25.930   32.920   3.3657   33.516   3.3200 -0.5958138 4.727620 
1 1 1    8   28   37 o   28.899   2.1578  101.296   14.619  109.800   20.619   92.700   20.729   29.750   2.9749   27.163   3.2995 2.587425 4.442657 
1 1 1    8   28   38 o   23.697   1.9346   68.034   10.731   77.300   15.189   58.800   15.163   25.020   2.6093   21.608   3.0570 3.412006 4.019186 
1 1 1    8   28   39 o   10.993   1.7031   14.842   4.2782   13.400   6.0336   16.300   6.0670   10.262   2.5105   11.370   2.3378 -1.107580 3.430476 
1 1 1    8   28   40 o   8.5624   1.6782   9.1097   3.2717   11.600   4.7166   6.8000   4.5422   9.5882   2.1377   7.4609   2.3264 2.127251 3.159424 
1 1 1    8   28   41 o   4.9436   1.6748   2.7445   2.3284   2.9000   2.9784   2.5000   3.7342   5.2744   1.8873   5.4223   2.0800 -0.1479168 2.808568 
1 1 1    8   28   42 o   22.806   1.9002   63.504   10.140   55.400   14.056   72.300   14.644   20.821   2.9408   24.001   2.6267 -3.180048 3.943054 
1 1 1    8   28   43 o   18.536   1.6987   41.883   7.3526   62.600   10.633   22.900   10.178   22.558   2.0174   13.093   3.2946 9.464981 3.863224 
1 1 1    8   28   44 f  ?   ?   -7.9099   1.0095  -5.8000   2.0335  -8.6000   1.1630   1.9997   1.0024  ?   ?  0.000000 1.002371 
1 1 1    8   28   45 o   15.830   2.7638   33.300   9.9550   33.300   9.9550   0.0000   0.0000   15.830   2.7638  ?   ?  0.000000 2.763793 
1 1 1    8   28   46 o   9.7133   2.6491   12.900   6.2442   12.900   6.2442   0.0000   0.0000   9.7133   2.6491  ?   ?  0.000000 2.649147 
1 1 1    8   28   47 o   5.2762   2.1395   2.0000   4.1538   2.0000   4.1538   0.0000   0.0000   5.2762   2.1395  ?   ?  0.000000 2.139490 
1 1 1    8   28   48 o   8.3939   2.6863   9.8000   6.0207   9.8000   6.0207   0.0000   0.0000   8.3939   2.6863  ?   ?  0.000000 2.686293 
1 1 1    8   28   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29    0 o   91.258   7.3628  1014.00  156.288  1014.00  156.288  1014.00  156.288   91.258   7.3628   91.258   7.3628 0.000000 0.000000 
1 1 1    8   29    1 o   95.477   5.2039  1092.58  116.882  981.300  165.057  1204.50  165.536   89.600   7.8814   99.646   7.0812 -10.04585 10.59527 
1 1 1    8   29    2 o   66.398   3.5635  525.024   55.668  626.600   79.211  425.900   78.250   72.346   4.6615   59.373   5.6494 12.97349 7.324316 
1 1 1    8   29    3 o   73.439   4.1602  643.882   71.847  611.200  101.580  676.600  101.635   71.088   6.1107   74.907   5.7909 -3.819374 8.418717 
1 1 1    8   29    4 o   99.763   5.4629  1195.10  128.204  1272.10  181.721  1118.80  180.896  102.156   7.5873   95.563   8.0924 6.593933 11.09301 
1 1 1    8   29    5 o   72.045   4.0115  619.495   67.975  571.700   95.778  668.000   96.488   68.749   5.9587   74.470   5.5263 -5.721497 8.126902 
1 1 1    8   29    6 o  129.422   7.0491  2032.64  214.616  1968.80  302.906  2097.00  304.123  125.458   10.316  129.712   10.006 -4.253586 14.37173 
1 1 1    8   29    7 o   69.966   3.7716  583.932   62.083  513.800   87.387  655.400   88.216   65.170   5.7370   73.838   5.0905 -8.668091 7.669851 
1 1 1    8   29    8 o  142.131   7.5958  2466.83  254.010  3041.40  359.464  1893.80  358.984  156.183   9.7963  120.869   12.771 35.31371 16.09552 
1 1 1    8   29    9 o   64.938   3.7403  503.526   57.112  526.200   80.723  480.800   80.814   66.045   5.2185   63.043   5.4832 3.002132 7.569552 
1 1 1    8   29   10 o   92.565   5.0839  1030.36  110.698  990.700  156.186  1070.40  156.919   89.841   7.4288   93.530   7.1593 -3.689384 10.31715 
1 1 1    8   29   11 o   74.746   4.3623  669.781   76.661  756.900  108.210  582.000  108.620   79.015   5.8409   68.917   6.7616 10.09865 8.935115 
1 1 1    8   29   12 f  105.638   5.4707  1347.55  135.999  1593.30  192.688  1103.60  191.977  113.988   7.1956   93.936   8.7556 20.05200 11.33300 
1 1 1    8   29   13 o   38.583   2.2948  177.049   20.814  224.200   29.562  130.700   29.309   43.349   2.9048   32.879   3.8478 10.46957 4.821102 
1 1 1    8   29   14 o   76.264   4.2554  698.452   76.329  802.500  107.997  594.600  107.895   81.252   5.6642   69.492   6.6566 11.76030 8.740311 
1 1 1    8   29   15 o   24.745   1.9360   72.956   11.222   68.100   15.800   77.900   15.941   23.767   2.8737   25.472   2.6911 -1.704803 3.937024 
1 1 1    8   29   16 o   74.382   4.2150  665.199   73.728  663.600  104.231  666.800  104.304   73.599   6.0510   73.782   6.0396 -0.1836395 8.549368 
1 1 1    8   29   17 o   73.682   3.9692  651.901   68.805  756.100   97.540  548.700   97.073   78.882   5.2668   66.754   6.2302 12.12771 8.158150 
1 1 1    8   29   18 o   54.282   3.2235  352.560   41.134  338.700   58.195  366.400   58.150   52.803   4.7169   54.997   4.5175 -2.194012 6.531234 
1 1 1    8   29   19 o   38.691   2.5024  178.598   22.740  181.500   32.173  175.700   32.146   38.805   3.5504   38.162   3.6102 0.6432190 5.063441 
1 1 1    8   29   20 o  109.810   6.1157  1484.73  157.951  1339.80  223.286  1629.90  223.467  101.492   9.4244  113.021   8.4340 -11.52903 12.64716 
1 1 1    8   29   21 o   15.004   1.7253   27.017   6.0014   26.600   8.6750   27.400   8.3113   14.742   2.5863   14.996   2.4304 -0.2533922 3.549037 
1 1 1    8   29   22 o   86.445   4.8461  910.820   98.524  874.900  139.178  946.900  139.490   83.208   7.1529   86.808   6.8608 -3.599510 9.911348 
1 1 1    8   29   23 o   30.205   2.1380  108.915   15.151  114.200   21.498  103.700   21.355   30.774   2.9964   29.282   3.1372 1.492435 4.338252 
1 1 1    8   29   24 o   32.077   2.2316  122.994   16.798  119.000   23.737  127.000   23.775   31.333   3.2558   32.406   3.1467 -1.073286 4.527902 
1 1 1    8   29   25 o   28.602   2.0668   97.798   13.865  104.600   19.684   91.100   19.533   29.421   2.8699   27.390   3.0729 2.030392 4.204648 
1 1 1    8   29   26 o   12.101   1.7668   17.755   4.8997   12.600   6.9670   22.800   6.8921   10.104   2.8152   13.662   2.2120 -3.557068 3.580273 
1 1 1    8   29   27 o   21.580   1.8173   55.780   9.1748   45.100   12.903   66.700   13.048   19.148   2.9484   23.502   2.3842 -4.353722 3.791728 
1 1 1    8   29   28 o   33.509   2.3047  134.909   18.125  150.600   25.626  119.200   25.640   35.169   3.1180   31.113   3.5537 4.056536 4.727680 
1 1 1    8   29   29 o   37.719   2.4649  171.430   21.834  185.500   30.899  157.400   30.856   38.901   3.3979   35.681   3.7168 3.219872 5.035873 
1 1 1    8   29   30 o   34.579   2.3048  143.977   18.712  164.500   26.542  123.700   26.383   36.696   3.0919   31.593   3.6009 5.103668 4.746168 
1 1 1    8   29   31 o   15.711   1.7021   29.739   6.2137   25.200   8.7765   34.300   8.7986   14.226   2.7117   16.763   2.2821 -2.537807 3.544171 
1 1 1    8   29   32 o   46.405   2.8737  261.978   31.334  255.900   44.234  268.100   44.393   45.119   4.2000   46.249   4.1077 -1.130165 5.874785 
1 1 1    8   29   33 o   15.094   1.7308   27.516   6.0573   23.600   8.5296   31.500   8.6036   13.739   2.7254   16.026   2.3427 -2.287050 3.593827 
1 1 1    8   29   34 o   45.460   2.7453  251.450   29.331  227.000   41.313  276.300   41.650   42.365   4.1843   47.051   3.7806 -4.685581 5.639313 
1 1 1    8   29   35 o   26.024   2.0243   81.762   12.341   86.200   17.429   77.300   17.478   26.453   2.8343   24.963   3.0269 1.490568 4.146757 
1 1 1    8   29   36 o   20.828   1.8579   52.420   9.0417   55.800   12.750   49.000   12.824   21.272   2.5918   19.839   2.8166 1.433050 3.827624 
1 1 1    8   29   37 o   28.119   2.1119   95.995   13.920  106.100   19.691   85.900   19.682   29.230   2.8906   26.097   3.2653 3.133331 4.360966 
1 1 1    8   29   38 o   20.019   1.8596   48.665   8.6902   50.600   12.403   46.800   12.179   20.130   2.6756   19.320   2.7471 0.8101120 3.834748 
1 1 1    8   29   39 o   28.914   2.1432  102.147   14.529  100.700   20.528  103.600   20.566   28.180   3.1383   28.614   3.0930 -0.4341545 4.406247 
1 1 1    8   29   40 o   21.017   2.0357   54.092   9.9763   64.100   13.819   43.200   14.417   22.636   2.6347   18.140   3.4925 4.496424 4.374801 
1 1 1    8   29   41 o   14.306   1.7860   25.084   5.9019   23.500   7.9768   27.000   8.7729   13.581   2.5817   14.555   2.6501 -0.9740238 3.699728 
1 1 1    8   29   42 o   37.283   2.5219  173.238   22.072  193.700   31.340  153.100   31.091   38.543   3.4810   33.769   3.9752 4.774704 5.283937 
1 1 1    8   29   43 f   14.006   1.8596   24.316   5.9985   29.200   8.5585   19.600   8.4097   15.114   2.4843   12.152   2.9585 2.962412 3.863216 
1 1 1    8   29   44 o   11.997   1.7554   17.970   4.8257   25.600   7.0657   11.300   6.6066   14.175   2.1809   9.2437   2.7917 4.930847 3.542582 
1 1 1    8   29   45 o   9.6283   2.6874   12.600   6.3429   12.600   6.3429   0.0000   0.0000   9.6283   2.6874  ?   ?  0.000000 2.687413 
1 1 1    8   29   46 o   9.4601   2.7163   12.400   6.3870   12.400   6.3870   0.0000   0.0000   9.4601   2.7163  ?   ?  0.000000 2.716316 
1 1 1    8   29   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   29   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30    0 o   12.300   3.0666   20.900   7.7065   20.900   7.7065   20.900   7.7065   12.300   3.0666   12.300   3.0666 0.000000 0.000000 
1 1 1    8   30    1 o   98.853   5.4643  1176.06  127.058  1260.80  179.781  1091.50  179.592  101.504   7.5547   94.129   8.1606 7.375595 11.12065 
1 1 1    8   30    2 o   90.500   5.0476  983.583  107.440  918.900  151.923  1048.30  151.962   86.584   7.5048   92.737   6.9908 -6.153061 10.25635 
1 1 1    8   30    3 o   78.380   4.3277  735.160   79.789  801.500  113.130  669.500  112.549   81.388   5.9273   74.164   6.4921 7.223656 8.790875 
1 1 1    8   30    4 o   24.539   1.9546   71.700   11.232   88.100   16.034   55.900   15.738   27.150   2.5301   21.465   3.2031 5.685389 4.081852 
1 1 1    8   30    5 o   68.773   3.8400  564.961   62.112  495.200   87.628  635.400   88.053   63.866   5.8764   72.618   5.1687 -8.752335 7.826059 
1 1 1    8   30    6 f   57.572   3.3923  395.383   45.913  356.800   64.959  433.900   64.904   54.316   5.1252   60.070   4.6108 -5.753429 6.894025 
1 1 1    8   30    7 o   84.910   4.6848  865.298   93.570  935.300  132.615  795.900  132.042   87.665   6.4516   80.614   7.0062 7.050789 9.524160 
1 1 1    8   30    8 o   54.976   3.2924  360.601   42.545  391.800   60.070  329.200   60.265   57.066   4.4942   52.170   4.9513 4.895725 6.686737 
1 1 1    8   30    9 o   69.668   3.8357  580.462   62.859  526.200   88.582  635.500   89.213   65.791   5.7599   72.516   5.2454 -6.724754 7.790378 
1 1 1    8   30   10 o  120.567   6.7926  1777.51  192.598  1966.10  272.153  1588.30  272.598  124.992   9.2871  111.338   10.492 13.65394 14.01208 
1 1 1    8   30   11 o   33.054   2.2663  130.100   17.583  129.800   24.880  130.400   24.851   32.870   3.2480   32.949   3.2358 -0.7887650E-01 4.584748 
1 1 1    8   30   12 o   78.902   4.2047  747.324   78.057  615.800  110.150  880.000  110.631   70.704   6.6765   85.142   5.5326 -14.43818 8.670939 
1 1 1    8   30   13 o   76.460   4.2844  702.690   77.043  661.600  108.877  743.900  109.035   73.413   6.3428   78.043   5.9616 -4.629723 8.704754 
1 1 1    8   30   14 o   98.217   5.4312  1170.97  125.475  1351.30  177.486  990.800  177.411  104.447   7.2410   88.513   8.5965 15.93358 11.23974 
1 1 1    8   30   15 o  122.311   6.8009  1844.42  195.649  1955.00  276.793  1734.00  276.585  123.430   9.5715  115.550   10.243 7.880524 14.01894 
1 1 1    8   30   16 o   42.966   2.6985  220.312   27.240  211.400   38.548  229.200   38.497   41.830   3.9494   43.610   3.7755 -1.780857 5.463725 
1 1 1    8   30   17 o  104.118   5.7727  1325.73  141.372  1205.20  199.829  1446.50  200.030   97.065   8.8145  107.136   7.9637 -10.07143 11.87917 
1 1 1    8   30   18 o   28.749   2.0993   98.551   14.153  102.200   20.012   94.900   20.019   29.144   2.9484   28.050   3.0727 1.093941 4.258430 
1 1 1    8   30   19 o   74.596   4.2249  671.908   74.115  715.600  104.864  628.300  104.764   76.220   5.8716   71.170   6.2988 5.049309 8.611092 
1 1 1    8   30   20 o   94.103   5.2730  1083.34  116.701  1153.70  165.105  1013.10  164.974   95.560   7.3738   89.070   7.9266 6.490532 10.82607 
1 1 1    8   30   21 o   55.171   3.2691  365.551   42.400  362.900   59.976  368.200   59.950   54.482   4.7081   54.897   4.6690 -0.4142723 6.630691 
1 1 1    8   30   22 o   49.533   2.9640  294.292   34.509  269.800   48.746  318.900   48.861   46.958   4.4492   51.223   4.0732 -4.265358 6.032085 
1 1 1    8   30   23 o   40.661   2.6119  198.125   24.945  208.200   35.234  188.000   35.322   41.406   3.6406   39.263   3.8597 2.143372 5.305786 
1 1 1    8   30   24 o   36.933   2.4341  163.447   21.109  149.300   29.849  177.600   29.856   34.961   3.6704   38.266   3.3375 -3.304790 4.960921 
1 1 1    8   30   25 o   30.645   2.1831  112.500   15.695  117.500   22.196  107.500   22.196   31.112   3.0608   29.703   3.2159 1.409122 4.439694 
1 1 1    8   30   26 o   46.794   2.8882  264.397   31.757  266.600   44.940  262.200   44.884   46.454   4.1402   46.051   4.1728 0.4036598 5.878219 
1 1 1    8   30   27 o   44.315   2.7224  236.966   28.350  210.400   40.030  263.700   40.157   41.148   4.1777   46.345   3.7002 -5.197529 5.580742 
1 1 1    8   30   28 o   65.647   3.8181  530.573   58.931  555.600   83.470  505.700   83.214   65.849   5.4161   62.550   5.6963 3.299171 7.860125 
1 1 1    8   30   29 o   20.953   1.7493   52.651   8.5758   67.200   12.303   38.900   11.960   23.585   2.2358   17.704   2.9659 5.880589 3.714190 
1 1 1    8   30   30 o   37.530   2.4667  170.076   21.739  178.500   30.787  161.700   30.699   38.050   3.4644   36.118   3.6495 1.932556 5.032044 
1 1 1    8   30   31 o   49.927   3.0594  304.193   35.894  270.500   50.757  337.900   50.767   46.042   4.7360   51.920   4.1762 -5.877766 6.314302 
1 1 1    8   30   32 o   40.117   2.4815  194.644   23.392  164.600   33.023  224.900   33.140   36.234   3.9221   42.751   3.3086 -6.516449 5.131263 
1 1 1    8   30   33 o   45.900   2.8397  256.754   30.627  248.900   43.188  264.700   43.440   44.406   4.1675   45.884   4.0509 -1.477444 5.811847 
1 1 1    8   30   34 o   13.390   1.7432   21.775   5.3814   27.100   7.5584   16.300   7.6636   14.849   2.2240   11.348   2.8607 3.501040 3.623449 
1 1 1    8   30   35 o   12.173   1.6678   18.031   4.6679   20.800   6.6881   15.400   6.5181   12.947   2.2705   11.049   2.5500 1.897501 3.414292 
1 1 1    8   30   36 o   14.640   1.7300   26.028   5.8652   24.700   8.2289   27.400   8.3619   14.029   2.5790   14.825   2.4759 -0.7959585 3.575138 
1 1 1    8   30   37 o   28.312   2.1143   97.548   14.033   97.200   19.799   97.900   19.892   27.816   3.0653   27.915   3.0683 -0.9942818E-01 4.337112 
1 1 1    8   30   38 o   23.547   1.9354   67.427   10.666   63.600   15.039   71.300   15.130   22.465   2.9028   23.886   2.7316 -1.421034 3.986004 
1 1 1    8   30   39 o   21.781   1.9019   57.779   9.6843   64.000   13.664   51.500   13.727   22.644   2.6028   20.116   2.9800 2.528461 3.956653 
1 1 1    8   30   40 o   33.724   2.4046  140.423   19.023  141.400   26.600  139.400   27.217   33.094   3.4548   32.759   3.5765 0.3346863 4.972579 
1 1 1    8   30   41 o   20.756   1.9500   52.799   9.4454   44.000   13.282   61.800   13.435   18.388   3.1736   22.162   2.6177 -3.773775 4.113895 
1 1 1    8   30   42 o   24.620   2.0608   74.839   11.870   72.500   16.579   77.300   17.003   23.643   3.0401   24.443   3.0094 -0.8001766 4.277673 
1 1 1    8   30   43 o   5.2197   1.8935   2.8472   3.0102   0.5000   3.8791   6.4000   4.7725   4.7521   2.0087   7.2303   2.3972 -2.478216 3.127528 
1 1 1    8   30   44 o   11.991   2.7821   19.500   7.7251   19.500   7.7251   0.0000   0.0000   11.991   2.7821  ?   ?  0.000000 2.782119 
1 1 1    8   30   45 o   14.041   2.7857   27.100   8.9102   27.100   8.9102   0.0000   0.0000   14.041   2.7857  ?   ?  0.000000 2.785746 
1 1 1    8   30   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   30   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   31    0 o  ?   ?  -10.3000   1.1630 -10.3000   1.1630 -10.3000   1.1630  ?   ?   ?   ?  0.000000 0.000000 
1 1 1    8   31    1 o   58.839   3.4551  413.296   47.794  412.200   67.482  414.400   67.701   58.428   4.9373   58.584   4.9399 -0.1559296 6.984244 
1 1 1    8   31    2 o   68.957   3.7867  568.348   61.423  475.500   86.473  662.900   87.263   62.485   5.9317   74.162   5.0124 -11.67744 7.765921 
1 1 1    8   31    3 o  110.502   5.8236  1477.90  151.422  1754.30  214.729  1204.50  213.561  119.378   7.6577   97.833   9.3585 21.54470 12.09223 
1 1 1    8   31    4 o   20.861   1.8198   51.884   8.8745   38.300   12.327   66.500   12.786   17.707   3.0588   23.576   2.3271 -5.869034 3.843371 
1 1 1    8   31    5 o   91.075   5.0874  999.765  108.973  975.100  154.001  1024.50  154.222   88.939   7.4000   91.271   7.2145 -2.331985 10.33486 
1 1 1    8   31    6 o  109.536   6.0492  1457.58  155.857  1365.20  220.160  1550.40  220.672  104.218   9.0355  111.524   8.4420 -7.306137 12.36564 
1 1 1    8   31    7 o   51.788   3.1160  320.060   37.928  332.300   53.616  307.800   53.662   52.510   4.3636   50.478   4.5509 2.031940 6.304909 
1 1 1    8   31    8 o   48.826   2.9235  284.311   33.552  342.000   47.549  227.100   47.352   53.397   3.7958   43.249   4.7129 10.14779 6.051419 
1 1 1    8   31    9 o   70.651   5.7931  608.600   95.798  608.600   95.798   0.0000   0.0000   70.651   5.7931  ?   ?  0.000000 5.793059 
1 1 1    8   31   10 o   15.491   1.8035   28.790   6.4738   29.800   8.8020   27.600   9.5549   15.662   2.4611   15.004   2.7999 0.6585646 3.727747 
1 1 1    8   31   11 o   46.619   2.8109  259.213   30.799  230.200   43.491  288.400   43.621   43.624   4.2770   48.986   3.8008 -5.362309 5.721759 
1 1 1    8   31   12 o   60.424   3.4711  436.956   49.319  474.600   69.835  399.500   69.660   62.621   4.7583   57.282   5.2069 5.338791 7.053604 
1 1 1    8   31   13 o  140.351   7.7949  2460.10  257.321  2700.20  364.096  2220.50  363.719  143.515   10.823  128.484   12.132 15.03127 16.25813 
1 1 1    8   31   14 o   14.184   1.7553   24.184   5.7536   28.500   8.2009   20.000   8.0741   15.324   2.3406   12.726   2.7657 2.597679 3.623203 
1 1 1    8   31   15 o   37.284   2.3385  165.650   20.484  192.300   29.078  139.400   28.860   40.052   3.0987   33.949   3.6578 6.102707 4.793898 
1 1 1    8   31   16 o   53.082   3.1586  337.252   39.413  338.400   55.686  336.100   55.791   52.805   4.5092   52.616   4.5346 0.1885719 6.394945 
1 1 1    8   31   17 o   67.078   3.8265  541.302   60.358  503.300   85.305  579.400   85.413   63.947   5.7094   68.832   5.2956 -4.885658 7.787194 
1 1 1    8   31   18 o   57.437   3.0867  394.918   41.710  492.900   59.180  298.200   58.797   63.922   3.9399   49.266   5.1294 14.65631 6.467839 
1 1 1    8   31   19 o   45.784   2.7954  250.805   30.077  233.400   42.480  268.300   42.591   43.809   4.1561   47.085   3.8647 -3.275593 5.675309 
1 1 1    8   31   20 o   46.215   2.7248  255.540   29.604  297.200   41.999  214.400   41.736   49.616   3.6095   41.901   4.2781 7.714771 5.597394 
1 1 1    8   31   21 o   31.752   2.1461  120.399   15.997  139.100   22.715  102.000   22.532   33.999   2.8558   28.963   3.3567 5.036503 4.407160 
1 1 1    8   31   22 o   60.588   3.5489  443.991   50.552  461.300   71.510  426.700   71.474   61.057   5.0038   58.590   5.2208 2.466789 7.231515 
1 1 1    8   31   23 o   43.173   2.7104  223.946   27.492  209.600   38.873  238.300   38.885   41.328   4.0348   44.195   3.7618 -2.866814 5.516393 
1 1 1    8   31   24 o   39.991   2.5495  192.157   23.950  177.000   33.824  207.400   33.919   37.962   3.8253   41.239   3.5168 -3.276249 5.196207 
1 1 1    8   31   25 o   31.709   2.2336  120.662   16.617  111.100   23.516  130.200   23.485   30.110   3.3650   32.715   3.0762 -2.605335 4.559172 
1 1 1    8   31   26 o   60.887   3.6062  453.404   51.618  423.600   73.004  483.200   72.994   57.606   5.4309   61.866   5.0404 -4.259876 7.409523 
1 1 1    8   31   27 o   60.125   3.5682  443.078   50.433  470.700   71.350  415.500   71.295   60.922   5.0040   56.926   5.3671 3.995914 7.338001 
1 1 1    8   31   28 f   44.710   2.8099  242.358   29.515  231.400   41.755  253.300   41.726   43.021   4.1623   45.145   3.9539 -2.124565 5.740940 
1 1 1    8   31   29 o   31.101   2.2186  116.467   16.187  100.300   22.904  132.600   22.880   28.440   3.4833   32.950   2.9726 -4.510803 4.579247 
1 1 1    8   31   30 o   33.772   2.2702  137.464   17.999  149.900   25.544  125.200   25.367   34.963   3.1269   31.808   3.4317 3.155638 4.642639 
1 1 1    8   31   31 o   31.170   2.2029  117.124   16.110  120.200   22.881  114.100   22.685   31.254   3.1429   30.418   3.2066 0.8358974 4.489984 
1 1 1    8   31   32 o   47.290   2.9545  273.112   32.827  267.400   46.475  278.800   46.375   45.929   4.3365   46.985   4.2250 -1.055519 6.054426 
1 1 1    8   31   33 o   43.477   2.7098  230.522   27.682  211.300   39.069  249.900   39.227   40.786   4.1127   44.635   3.7566 -3.849541 5.570161 
1 1 1    8   31   34 o   20.500   1.8313   50.740   8.7719   46.500   12.391   55.000   12.420   19.335   2.7951   21.145   2.5381 -1.809963 3.775531 
1 1 1    8   31   35 o   6.7342   1.7972   5.6293   2.9110   7.1000   4.0772   4.1000   4.1575   7.5736   2.1690   6.2540   2.2306 1.319650 3.111298 
1 1 1    8   31   36 o   47.189   2.9733  276.832   32.963  271.600   46.536  282.100   46.697   45.429   4.3929   46.389   4.3124 -0.9598846 6.155800 
1 1 1    8   31   37 o   14.325   1.7959   25.069   5.9412   30.300   8.2735   19.500   8.5368   15.612   2.3142   12.289   2.9739 3.323476 3.768291 
1 1 1    8   31   38 o   10.663   1.6993   13.997   4.1349   12.700   5.5623   15.600   6.1821   9.9938   2.3894   11.081   2.4296 -1.087068 3.407634 
1 1 1    8   31   39 o   30.406   2.2428  113.501   15.990  126.100   22.703  101.100   22.524   31.536   3.0884   27.949   3.4887 3.586832 4.659349 
1 1 1    8   31   40 o   16.783   1.9159   34.590   7.4566   41.000   10.397   27.800   10.700   18.060   2.5054   14.540   3.2030 3.520219 4.066423 
1 1 1    8   31   41 o   25.009   2.0094   76.930   11.766   64.400   16.290   90.600   17.015   22.202   3.1996   26.715   2.7358 -4.512939 4.209714 
1 1 1    8   31   42 o   2.8696   1.3492  -2.4266   2.3399  -3.3000   2.9008  -0.8000   3.9587   3.1252   1.4794   4.4337   1.9511 -1.308450 2.448568 
1 1 1    8   31   43 o   5.7676   1.8869   4.0187   2.9606  -0.5000   4.4525   7.6000   3.9638   4.7598   2.0825   7.6619   2.1194 -2.902160 2.971336 
1 1 1    8   31   44 o   7.3711   2.5528   6.8000   5.4172   6.8000   5.4172   0.0000   0.0000   7.3711   2.5528  ?   ?  0.000000 2.552842 
1 1 1    8   31   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   31   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   31   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   32    0 o   77.156   6.3562  727.600  113.998  727.600  113.998  727.600  113.998   77.156   6.3562   77.156   6.3562 -0.000000 0.000000 
1 1 1    8   32    1 f   39.764   2.5992  188.444   24.272  177.100   34.393  199.700   34.259   38.326   3.8525   40.772   3.5951 -2.445545 5.269389 
1 1 1    8   32    2 o   66.405   3.7911  528.042   59.201  553.100   83.989  503.300   83.459   67.521   5.3106   64.311   5.5501 3.209587 7.681511 
1 1 1    8   32    3 o   32.774   2.3013  127.962   17.698  130.900   24.977  125.000   25.079   33.007   3.2466   32.230   3.3440 0.7773323 4.660753 
1 1 1    8   32    4 o   45.503   2.7453  246.785   29.360  213.500   41.359  280.600   41.686   42.029   4.2245   48.360   3.6780 -6.330681 5.601267 
1 1 1    8   32    5 o   76.844   4.3294  709.662   78.241  777.400  110.803  642.300  110.495   79.845   5.9190   72.278   6.5450 7.566910 8.824494 
1 1 1    8   32    6 o   90.074   5.0623  980.573  107.236  1041.50  151.627  919.600  151.683   91.866   7.0434   86.020   7.5437 5.846107 10.32068 
1 1 1    8   32    7 o   71.690   4.1000  617.126   69.119  622.700   97.964  611.600   97.535   71.399   5.8622   70.744   5.8922 0.6549911 8.311611 
1 1 1    8   32    8 o   25.590   2.0557   78.085   12.317   70.400   17.517   85.600   17.323   24.119   3.1510   26.696   2.7891 -2.577547 4.208090 
1 1 1    8   32    9 o   50.948   2.9425  309.782   35.250  361.600   50.155  259.200   49.553   54.848   3.8979   46.216   4.6018 8.631969 6.030789 
1 1 1    8   32   10 o   35.278   2.2837  148.232   18.922  171.900   26.914  125.100   26.608   37.882   3.0342   32.178   3.5615 5.703682 4.678756 
1 1 1    8   32   11 o   53.007   2.9761  335.489   37.101  279.300   52.325  392.300   52.613   47.939   4.6821   57.107   3.9254 -9.168266 6.109877 
1 1 1    8   32   12 o   54.931   3.2088  360.954   41.440  385.600   58.661  336.400   58.550   56.455   4.4360   52.609   4.7648 3.846443 6.510104 
1 1 1    8   32   13 o   28.420   2.0984   96.301   13.983   95.400   19.784   97.200   19.766   28.139   3.0249   28.413   2.9910 -0.2734089 4.253950 
1 1 1    8   32   14 o   31.192   2.2003  116.015   16.103  118.900   22.715  113.100   22.831   31.430   3.1010   30.627   3.2043 0.8035049 4.459165 
1 1 1    8   32   15 o   50.617   2.9570  306.378   35.190  360.400   49.846  252.700   49.686   54.672   3.8863   45.500   4.6918 9.172455 6.092332 
1 1 1    8   32   16 o   55.386   3.2614  367.880   42.466  354.700   60.010  381.100   60.103   53.913   4.7628   55.961   4.5887 -2.048119 6.613628 
1 1 1    8   32   17 o   64.597   3.7370  502.697   56.759  523.000   80.274  482.400   80.264   65.270   5.2529   62.560   5.4887 2.709339 7.597281 
1 1 1    8   32   18 f   31.025   2.1660  114.892   15.769  123.500   22.377  106.400   22.225   32.020   2.9943   29.650   3.2264 2.369291 4.401733 
1 1 1    8   32   19 o   63.632   3.4645  487.786   51.861  586.500   73.516  390.000   73.170   69.323   4.5156   55.961   5.6127 13.36188 7.203741 
1 1 1    8   32   20 o   10.020   1.7622   12.260   4.0173   12.100   5.8857   12.400   5.4969   9.8849   2.5153   10.005   2.3642 -0.1200533 3.451977 
1 1 1    8   32   21 f   46.369   2.8585  258.494   31.146  242.800   44.039  274.200   44.056   44.454   4.2470   47.374   3.9751 -2.919960 5.817028 
1 1 1    8   32   22 o   66.456   3.8669  538.486   60.419  523.200   85.406  553.800   85.484   64.345   5.6792   66.340   5.5067 -1.994400 7.910591 
1 1 1    8   32   23 o   23.596   1.9078   66.684   10.539   69.400   14.949   64.000   14.860   23.910   2.6947   22.923   2.8038 0.9870796 3.888793 
1 1 1    8   32   24 f   32.257   2.2518  124.901   17.044  124.600   24.166  125.200   24.043   31.937   3.2496   32.024   3.2232 -0.8631134E-01 4.577046 
1 1 1    8   32   25 f   41.677   2.6638  209.610   26.079  179.200   36.888  240.000   36.875   37.916   4.1900   44.244   3.5596 -6.327969 5.497892 
1 1 1    8   32   26 o   9.4602   1.6624   10.954   3.5781   4.7000   4.7574   19.100   5.4294   6.7222   2.3874   12.520   1.8958 -5.798159 3.048494 
1 1 1    8   32   27 o   29.324   2.1442  103.409   14.744  101.800   20.910  105.000   20.795   28.804   3.1242   29.283   3.0521 -0.4786968 4.367643 
1 1 1    8   32   28 o   38.584   2.5177  179.841   22.813  182.400   32.320  177.300   32.206   38.411   3.6055   37.846   3.6489 0.5649261 5.129722 
1 1 1    8   32   29 o   61.925   3.7057  473.824   53.939  399.500   76.294  548.100   76.269   54.939   5.9774   65.484   4.9693 -10.54511 7.773254 
1 1 1    8   32   30 o   22.053   1.9058   58.530   9.8270   55.800   13.977   61.200   13.820   21.279   2.8534   22.356   2.6707 -1.076595 3.908238 
1 1 1    8   32   31 o   21.585   1.8625   56.084   9.4005   53.300   13.255   58.900   13.333   20.800   2.7675   21.924   2.6279 -1.124443 3.816376 
1 1 1    8   32   32 o   5.6846   1.6771   3.9181   2.4055   5.6000   3.7117   2.7000   3.1587   6.8240   2.0989   5.2842   1.9361 1.539793 2.855552 
1 1 1    8   32   33 o   13.569   1.7159   22.356   5.3751   22.700   7.5359   22.000   7.6689   13.493   2.4557   13.256   2.5425 0.2366419 3.534786 
1 1 1    8   32   34 o   34.535   2.3601  145.281   19.132  137.200   27.024  153.400   27.089   32.944   3.5287   34.980   3.3192 -2.036392 4.844491 
1 1 1    8   32   35 o   58.915   3.5312  439.254   48.899  492.100   69.250  386.700   69.059   60.572   4.8831   52.639   5.6439 7.932995 7.463124 
1 1 1    8   32   36 o   6.7694   1.8041   5.7097   2.9361   9.1000   4.0887   2.1000   4.2190   8.5054   2.0581   5.5083   2.1822 2.997124 2.999603 
1 1 1    8   32   37 o   9.9099   1.7430   12.150   3.9297   10.200   5.5575   14.100   5.5575   8.9793   2.5188   10.559   2.2945 -1.579510 3.407229 
1 1 1    8   32   38 o   15.284   1.7505   28.494   6.2039   29.900   8.9626   27.200   8.5963   15.400   2.5542   14.665   2.5764 0.7351665 3.627918 
1 1 1    8   32   39 o   38.000   2.5768  179.645   22.985  175.800   32.281  183.600   32.736   36.535   3.7973   37.379   3.7599 -0.8442535 5.343770 
1 1 1    8   32   40 o   13.055   1.8763   21.113   5.6180   27.700   8.1683   15.200   7.7391   14.784   2.4238   10.766   2.9547 4.018221 3.821660 
1 1 1    8   32   41 f   5.6160   2.2479   2.2000   4.5211   0.0000   0.0000   2.2000   4.5211  ?   ?    5.6160   2.2479 0.000000 2.247864 
1 1 1    8   32   42 o   10.837   1.9345   14.931   4.7687   12.000   6.4769   18.400   7.0470   9.4742   2.7397   11.766   2.6052 -2.291533 3.780645 
1 1 1    8   32   43 o   11.183   2.8497   17.300   7.5472   0.0000   0.0000   17.300   7.5472  ?   ?    11.183   2.8497 0.000000 2.849710 
1 1 1    8   32   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   32   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   32   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   33    0 o   9.3293   3.2107   13.400   6.3639   13.400   6.3639   13.400   6.3639   9.3293   3.2107   9.3293   3.2107 0.000000 0.000000 
1 1 1    8   33    1 o   22.360   1.9967   59.694   10.431   42.800   14.839   76.200   14.667   18.648   3.4982   25.217   2.4959 -6.568718 4.297349 
1 1 1    8   33    2 o   82.644   4.5299  822.809   88.065  698.600  124.298  948.000  124.788   75.039   7.0992   88.064   6.0373 -13.02484 9.319233 
1 1 1    8   33    3 o   65.251   3.7553  510.409   57.618  469.000   81.347  552.100   81.622   61.957   5.6214   67.429   5.1655 -5.472397 7.634305 
1 1 1    8   33    4 o  111.717   6.1912  1526.90  162.688  1352.00  229.880  1702.40  230.272  102.634   9.5966  116.274   8.4445 -13.63966 12.78292 
1 1 1    8   33    5 o   65.671   3.5941  516.481   55.524  616.600   79.073  419.100   77.984   71.422   4.7150   58.486   5.7199 12.93644 7.412726 
1 1 1    8   33    6 o   76.856   4.3311  711.281   78.284  661.600  110.413  761.500  111.009   73.251   6.4490   78.836   6.0083 -5.585258 8.814169 
1 1 1    8   33    7 o   70.273   3.9767  593.268   65.718  683.300   93.033  503.600   92.845   74.950   5.2905   63.916   6.2308 11.03437 8.173926 
1 1 1    8   33    8 o   57.211   3.3003  391.629   44.397  432.000   63.079  352.000   62.498   59.767   4.5026   53.771   4.9787 5.996632 6.712706 
1 1 1    8   33    9 o   23.234   1.9989   64.445   10.860   77.600   15.247   50.900   15.471   25.428   2.5747   20.400   3.3264 5.028494 4.206402 
1 1 1    8   33   10 o   24.404   1.9738   71.045   11.277   73.500   15.966   68.600   15.931   24.703   2.7857   23.836   2.8895 0.8666325 4.013608 
1 1 1    8   33   11 f   56.741   3.2313  385.348   43.115  423.200   61.221  348.100   60.731   59.133   4.4163   53.456   4.8643 5.676556 6.570046 
1 1 1    8   33   12 o   37.802   2.3513  170.343   20.885  192.700   29.920  149.100   29.165   40.063   3.1891   35.129   3.5654 4.933907 4.783540 
1 1 1    8   33   13 o   63.338   3.6577  482.216   54.473  528.600   77.064  435.900   77.008   65.831   4.9947   59.523   5.5425 6.308067 7.461020 
1 1 1    8   33   14 o   68.287   3.8558  561.834   61.921  514.500   87.416  609.500   87.722   64.523   5.7993   70.514   5.3072 -5.990784 7.861211 
1 1 1    8   33   15 o   80.719   4.4948  790.655   85.334  714.100  120.567  867.500  120.795   75.368   6.8493   83.590   6.1632 -8.221695 9.214036 
1 1 1    8   33   16 o   19.966   1.8576   47.684   8.6574   45.400   12.336   49.900   12.153   19.319   2.7847   20.308   2.5934 -0.9895325 3.805253 
1 1 1    8   33   17 o   30.241   2.1557  109.244   15.293  113.500   21.643  105.000   21.613   30.658   3.0292   29.448   3.1573 1.210247 4.375465 
1 1 1    8   33   18 o   39.248   2.5108  184.412   23.148  200.800   32.775  168.100   32.698   40.724   3.4404   37.137   3.7815 3.587067 5.112389 
1 1 1    8   33   19 o   54.393   3.2416  356.891   41.446  360.100   58.696  353.700   58.532   54.044   4.6445   53.543   4.6764 0.5010338 6.590869 
1 1 1    8   33   20 o   36.075   2.4004  155.995   20.331  167.000   28.759  145.000   28.745   37.084   3.3193   34.454   3.5857 2.630219 4.886155 
1 1 1    8   33   21 o   26.132   2.0011   81.776   12.255   75.700   17.297   87.900   17.365   24.915   3.0002   26.932   2.7700 -2.016531 4.083437 
1 1 1    8   33   22 o   11.250   1.8280   15.434   4.6894   8.6000   6.7806   21.700   6.4923   8.6482   2.8569   13.327   2.1351 -4.678913 3.566565 
1 1 1    8   33   23 o   10.354   1.7765   13.108   4.1873   12.600   5.7101   13.700   6.1587   10.061   2.4307   10.485   2.5189 -0.4247208 3.500495 
1 1 1    8   33   24 o   52.729   3.1905  338.199   39.538  330.000   55.912  346.400   55.917   51.238   4.6726   52.586   4.5479 -1.348499 6.520460 
1 1 1    8   33   25 o   56.094   3.3335  384.241   43.956  397.400   62.304  371.200   62.025   56.116   4.7463   54.104   4.9082 2.011734 6.827748 
1 1 1    8   33   26 o   46.917   2.8967  267.128   31.935  281.700   45.197  252.600   45.128   47.575   4.0621   44.890   4.3102 2.684284 5.922727 
1 1 1    8   33   27 o   26.364   2.0485   83.581   12.653   87.600   17.825   79.500   17.964   26.769   2.8643   25.428   3.0528 1.340885 4.186129 
1 1 1    8   33   28 o   18.161   1.7765   39.688   7.5209   43.400   10.728   36.100   10.546   18.842   2.4708   17.098   2.7020 1.744453 3.661326 
1 1 1    8   33   29 o   1.1778   0.5912  -2.1324   0.7190  -5.1000   2.6680  -1.9000   0.7466   2.6373   1.2895   1.2703   0.6321 1.367013 1.436105 
1 1 1    8   33   30 o   10.564   1.7306   13.653   4.1676   17.300   6.0214   10.300   5.7740   11.813   2.2406   9.1085   2.5717 2.704626 3.410885 
1 1 1    8   33   31 o   40.788   2.6420  202.700   25.310  201.300   35.797  204.100   35.791   39.973   3.8397   40.272   3.8088 -0.2990532 5.408358 
1 1 1    8   33   32 o   41.337   2.6235  208.651   25.476  178.800   35.969  238.700   36.088   37.340   4.1495   43.654   3.5311 -6.314144 5.448586 
1 1 1    8   33   33 o   44.065   2.8065  238.871   29.051  219.500   41.053  258.300   41.115   41.156   4.2872   45.001   3.9079 -3.845161 5.801033 
1 1 1    8   33   34 o   46.508   2.8290  267.456   30.921  227.800   43.595  307.600   43.863   41.492   4.5228   49.000   3.8210 -7.508556 5.920833 
1 1 1    8   33   35 o   21.024   1.8855   53.697   9.2611   50.200   13.091   57.200   13.103   19.966   2.8583   21.425   2.6462 -1.459162 3.895153 
1 1 1    8   33   36 o   23.198   1.9385   65.475   10.522   69.400   15.027   61.700   14.738   23.547   2.7546   22.124   2.8901 1.422943 3.992524 
1 1 1    8   33   37 o   28.760   2.1600  101.197   14.562  100.500   20.546  101.900   20.643   28.124   3.1477   28.326   3.1389 -0.2021790 4.445312 
1 1 1    8   33   38 o   33.379   2.4221  137.827   18.961  135.500   26.684  140.200   26.947   32.269   3.5613   32.855   3.5286 -0.5865250 5.013421 
1 1 1    8   33   39 o   32.288   2.3790  129.528   18.011  128.800   25.102  130.300   25.858   31.371   3.4453   31.470   3.5412 -0.9904099E-01 4.940693 
1 1 1    8   33   40 o   3.1680   1.4440  -1.4578   2.3865   3.4000   2.9890 -10.0000   3.9636   5.4943   1.8966   2.9029   1.4465 2.591329 2.385309 
1 1 1    8   33   41 o   17.167   2.9714   39.500   11.609   0.0000   0.0000   39.500   11.609  ?   ?    17.167   2.9714 0.000000 2.971379 
1 1 1    8   33   42 o   5.9118   2.3752   2.7000   5.0685   0.0000   0.0000   2.7000   5.0685  ?   ?    5.9118   2.3752 0.000000 2.375179 
1 1 1    8   33   43 o   4.4756   1.9598  -0.4000   3.9502   0.0000   0.0000  -0.4000   3.9502  ?   ?    4.4756   1.9598 0.000000 1.959762 
1 1 1    8   33   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   33   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   34    0 o   95.879   7.8482  1137.50  174.949  1137.50  174.949  1137.50  174.949   95.879   7.8482   95.879   7.8482 0.000000 0.000000 
1 1 1    8   34    1 o   55.242   3.1958  364.948   41.510  400.300   58.959  330.200   58.453   57.555   4.3708   52.114   4.8040 5.440926 6.494819 
1 1 1    8   34    2 o   71.712   4.1161  618.830   69.409  605.400   98.270  632.200   98.047   70.198   5.9856   71.814   5.8322 -1.616417 8.357149 
1 1 1    8   34    3 o   65.338   3.7842  512.562   58.135  467.800   82.181  557.400   82.250   61.758   5.6996   67.663   5.1873 -5.905380 7.706733 
1 1 1    8   34    4 o   37.051   2.4676  163.743   21.465  158.700   30.336  168.800   30.377   36.267   3.5894   37.439   3.4757 -1.171265 4.996481 
1 1 1    8   34    5 o   72.387   4.0830  630.591   69.507  674.900   98.758  587.100   97.843   74.253   5.6754   69.055   6.0616 5.198212 8.303780 
1 1 1    8   34    6 o   46.351   2.8548  256.644   31.094  267.900   44.084  245.500   43.865   47.102   4.0013   45.032   4.1726 2.070404 5.781087 
1 1 1    8   34    7 o   74.802   4.2724  674.800   75.153  652.000  106.282  697.600  106.282   72.661   6.2553   75.290   6.0286 -2.628891 8.687504 
1 1 1    8   34    8 o   4.4558   1.9325  -0.6000   3.7632  -0.6000   3.7632   0.0000   0.0000   4.4558   1.9325  ?   ?  0.000000 1.932465 
1 1 1    8   34    9 o   27.309   2.0340   88.926   13.023   94.900   18.700   83.300   18.146   28.087   2.8594   26.274   2.9774 1.812840 4.128097 
1 1 1    8   34   10 o   41.487   2.5198  205.392   24.569  228.200   35.026  183.300   34.472   43.548   3.4340   38.914   3.8000 4.634529 5.121743 
1 1 1    8   34   11 o   44.203   2.7419  233.568   28.478  242.900   40.566  224.500   39.989   44.812   3.8716   43.040   3.9797 1.772533 5.552242 
1 1 1    8   34   12 o   58.707   3.3528  413.715   46.287  444.800   65.710  383.100   65.212   60.436   4.6398   55.928   4.9902 4.507809 6.813926 
1 1 1    8   34   13 o   68.836   4.0957  573.164   66.274  515.900   94.027  629.700   93.428   64.267   6.2760   71.449   5.5819 -7.181839 8.399164 
1 1 1    8   34   14 o   51.324   3.1264  316.270   37.710  282.000   53.384  350.400   53.275   47.916   4.7821   53.670   4.2382 -5.754021 6.389864 
1 1 1    8   34   15 o   14.988   1.8530   27.056   6.4182   25.400   9.5875   28.400   8.6398   14.322   2.9335   15.248   2.4851 -0.9259691 3.844601 
1 1 1    8   34   16 o   31.851   2.2332  121.309   16.690  148.300   23.600   94.300   23.608   35.098   2.8726   27.733   3.6970 7.365255 4.681834 
1 1 1    8   34   17 o   12.455   1.7475   18.768   4.9984   19.900   7.1744   17.700   6.9676   12.702   2.4810   11.955   2.5462 0.7470665 3.555022 
1 1 1    8   34   18 o   35.090   2.3680  147.553   19.506  153.900   27.578  141.200   27.594   35.593   3.3196   34.031   3.4828 1.561161 4.811408 
1 1 1    8   34   19 o   67.817   3.9451  562.241   62.903  542.400   88.939  582.100   88.978   65.311   5.8281   67.853   5.6035 -2.541939 8.084919 
1 1 1    8   34   20 f   12.752   1.7712   19.695   5.1895   19.500   7.2540   19.900   7.4272   12.544   2.5361   12.669   2.5705 -0.1248531 3.610970 
1 1 1    8   34   21 o   29.931   2.1449  107.441   15.059  108.900   21.364  106.000   21.229   29.895   3.0700   29.483   3.0955 0.4122086 4.359765 
1 1 1    8   34   22 o   41.429   2.6552  207.063   25.839  213.700   36.506  200.400   36.577   41.657   3.7514   40.266   3.8956 1.391171 5.408222 
1 1 1    8   34   23 o   10.421   1.7741   13.282   4.2092   14.800   6.2209   12.000   5.7165   10.896   2.4743   9.8130   2.4690 1.083148 3.495439 
1 1 1    8   34   24 o   14.525   1.7275   25.462   5.8088   26.400   8.1648   24.500   8.2658   14.643   2.4476   14.064   2.5842 0.5795317 3.559347 
1 1 1    8   34   25 o   24.353   1.9802   71.270   11.289   75.000   15.923   67.500   16.008   24.787   2.7677   23.445   2.9573 1.342268 4.050414 
1 1 1    8   34   26 o   34.740   2.3899  145.606   19.486  138.900   27.674  152.200   27.441   33.499   3.5528   35.170   3.3445 -1.671574 4.879286 
1 1 1    8   34   27 o   7.4200   1.8239   6.8274   3.1732   4.8000   4.5794   8.7000   4.4010   6.6989   2.3456   8.3696   2.1985 -1.670670 3.214823 
1 1 1    8   34   28 o   43.032   2.6995  224.676   27.292  237.300   38.711  212.200   38.482   43.671   3.7915   41.157   4.0106 2.513996 5.519053 
1 1 1    8   34   29 o   28.288   2.0929   96.480   13.881   99.700   19.691   93.300   19.569   28.466   2.9734   27.492   3.0667 0.9732571 4.271465 
1 1 1    8   34   30 o   42.605   2.7646  221.763   27.663  202.900   39.187  240.500   39.056   39.867   4.2271   43.725   3.8210 -3.857925 5.698133 
1 1 1    8   34   31 o   53.572   3.2371  355.860   40.758  329.400   57.543  382.500   57.739   49.993   4.9390   54.323   4.5428 -4.329845 6.710486 
1 1 1    8   34   32 o   43.066   2.7440  227.771   27.760  196.200   39.240  259.400   39.276   38.846   4.3527   45.268   3.7067 -6.422798 5.717146 
1 1 1    8   34   33 o   24.041   2.0457   70.268   11.503   60.200   16.407   80.000   16.131   21.740   3.2996   25.387   2.7339 -3.646807 4.285050 
1 1 1    8   34   34 o   12.898   2.5028   21.000   7.3479   0.0000   0.0000   21.000   7.3479  ?   ?    12.898   2.5028 0.000000 2.502753 
1 1 1    8   34   35 o   28.521   2.2144   99.530   14.797   85.800   21.067  112.900   20.788   25.772   3.5563   29.980   2.9758 -4.207256 4.637123 
1 1 1    8   34   36 o   35.121   2.2662  151.117   18.694  177.900   26.872  126.000   26.023   37.578   3.0548   31.213   3.5965 6.365168 4.718705 
1 1 1    8   34   37 o   32.727   3.4499  138.400   26.259   0.0000   0.0000  138.400   26.259  ?   ?    32.727   3.4499 0.000000 3.449875 
1 1 1    8   34   38 o   16.207   1.8619   32.279   6.9961   34.000   9.8121   30.500   9.9780   16.337   2.6329   15.360   2.8562 0.9773197 3.884577 
1 1 1    8   34   39 f   16.681   1.9172   34.451   7.4146   39.000   10.271   29.500   10.714   17.461   2.5678   14.861   3.1509 2.599555 4.064688 
1 1 1    8   34   40 o   17.146   2.9002   39.100   11.323   0.0000   0.0000   39.100   11.323  ?   ?    17.146   2.9002 0.000000 2.900191 
1 1 1    8   34   41 o   3.8640   1.8028  -3.4000   4.0440   0.0000   0.0000  -3.4000   4.0440  ?   ?    3.8640   1.8028 0.000000 1.802777 
1 1 1    8   34   42 o   4.8199   1.9805   1.3000   3.6181   0.0000   0.0000   1.3000   3.6181  ?   ?    4.8199   1.9805 0.000000 1.980523 
1 1 1    8   34   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   34   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   35    0 o   62.707   5.3413  481.000   77.771  481.000   77.771  481.000   77.771   62.707   5.3413   62.707   5.3413 -0.000000 0.000000 
1 1 1    8   35    1 o   51.934   3.0654  322.672   37.426  352.700   53.223  293.300   52.638   54.002   4.2070   49.100   4.5933 4.901680 6.228749 
1 1 1    8   35    2 o   66.443   3.7793  530.720   59.050  573.800   83.884  488.400   83.141   68.551   5.2213   63.038   5.6452 5.513618 7.689589 
1 1 1    8   35    3 o   46.595   2.8854  259.579   31.592  239.000   44.600  280.300   44.755   44.357   4.3126   48.165   3.9704 -3.808533 5.861957 
1 1 1    8   35    4 o   58.932   3.4229  416.604   47.428  358.400   66.904  475.400   67.243   54.040   5.3116   62.590   4.5815 -8.550678 7.014462 
1 1 1    8   35    5 o   48.329   2.9783  279.500   33.823  280.100   47.847  278.900   47.819   48.050   4.2612   47.944   4.2685 0.1058388 6.031396 
1 1 1    8   35    6 o   29.456   2.1658  103.532   14.959  108.300   21.311   98.900   21.003   29.979   3.0530   28.613   3.1612 1.365835 4.394763 
1 1 1    8   35    7 o   34.498   2.3734  142.083   19.217  138.200   27.294  145.900   27.062   33.810   3.4677   34.777   3.3363 -0.9674988 4.812055 
1 1 1    8   35    8 o   16.553   1.9847   32.960   7.6027   21.000   11.165   43.300   10.382   13.027   3.5380   18.942   2.3730 -5.915399 4.260137 
1 1 1    8   35    9 o   15.212   1.8458   27.834   6.4947   22.800   9.4728   32.300   8.9218   13.558   3.0345   16.315   2.3863 -2.756839 3.860385 
1 1 1    8   35   10 o   26.587   2.0767   84.421   12.934   74.900   18.361   93.800   18.223   24.827   3.2070   27.910   2.8029 -3.083715 4.259236 
1 1 1    8   35   11 o   58.799   3.4420  416.116   47.582  429.200   67.379  403.100   67.203   59.167   4.8657   57.261   5.0208 1.906544 6.991729 
1 1 1    8   35   12 o   26.834   1.9476   85.927   12.257  104.600   17.641   68.500   17.042   29.518   2.5562   23.726   3.1174 5.792042 4.031404 
1 1 1    8   35   13 o   54.062   2.8079  350.164   35.722  432.200   51.141  272.000   49.919   59.793   3.6394   47.057   4.5492 12.73645 5.825817 
1 1 1    8   35   14 o   28.628   2.1497   98.039   14.426   96.800   20.738   99.200   20.082   28.234   3.1650   28.621   3.0168 -0.3873138 4.372466 
1 1 1    8   35   15 o   48.696   2.9969  285.430   34.294  280.400   48.646  290.400   48.353   47.760   4.3616   48.657   4.2510 -0.8975945 6.090561 
1 1 1    8   35   16 o  ?   ?   -6.7039   0.9181  -0.8000   5.1209  -6.9000   0.9333   5.1861   2.2517  ?   ?  0.000000 2.251729 
1 1 1    8   35   17 o   86.178   5.0191  925.136  101.696  792.600  143.867  1057.50  143.773   76.681   8.0662   90.242   6.7969 -13.56021 10.54805 
1 1 1    8   35   18 o   36.312   2.3993  158.288   20.457  162.900   29.130  153.800   28.736   36.537   3.4160   35.473   3.4752 1.063515 4.872997 
1 1 1    8   35   19 o   21.357   1.9021   54.719   9.4921   64.500   13.377   44.800   13.471   23.079   2.4943   19.040   3.1030 4.039585 3.981241 
1 1 1    8   35   20 o   38.118   2.4983  174.903   22.363  170.000   31.636  179.800   31.617   37.178   3.6507   38.290   3.5368 -1.111328 5.082960 
1 1 1    8   35   21 o   32.104   2.1588  123.699   16.270   98.400   22.897  149.500   23.123   28.224   3.5115   35.119   2.8119 -6.894625 4.498634 
1 1 1    8   35   22 o   58.983   3.4815  425.646   48.275  370.900   68.237  480.500   68.305   53.702   5.4569   61.800   4.7162 -8.098347 7.212487 
1 1 1    8   35   23 o   29.932   2.1597  107.696   15.162  118.300   21.447   97.100   21.438   31.146   2.9512   28.079   3.2961 3.067606 4.424249 
1 1 1    8   35   24 o   61.773   3.6281  469.253   52.690  508.300   74.608  430.400   74.422   63.152   5.0452   57.660   5.5340 5.491943 7.488576 
1 1 1    8   35   25 o   10.704   1.7654   14.006   4.3068   14.600   6.0607   13.400   6.1211   10.817   2.4319   10.352   2.5263 0.4644938 3.506591 
1 1 1    8   35   26 o   54.649   3.2864  365.813   42.213  339.500   59.657  392.200   59.741   51.470   4.9703   55.665   4.5858 -4.194927 6.762608 
1 1 1    8   35   27 o   13.256   1.7179   21.293   5.2510   26.500   7.6698   16.700   7.2041   14.688   2.2856   11.529   2.6945 3.158898 3.533352 
1 1 1    8   35   28 o   30.707   2.2030  113.894   15.868  112.000   22.402  115.800   22.479   30.078   3.2034   30.610   3.1552 -0.5315380 4.496363 
1 1 1    8   35   29 o   20.221   1.7326   49.211   8.1930   35.800   11.446   63.300   11.732   16.886   2.9795   22.830   2.2037 -5.943926 3.705868 
1 1 1    8   35   30 o   16.005   1.7421   31.004   6.4774   30.100   9.1796   31.900   9.1414   15.543   2.5924   16.040   2.4945 -0.4973660 3.597700 
1 1 1    8   35   31 o   13.882   1.8268   23.500   5.8427   17.300   8.3669   29.400   8.1625   11.634   3.0194   15.423   2.3126 -3.789508 3.803277 
1 1 1    8   35   32 o   19.017   1.8366   43.869   8.1449   48.200   12.118   40.300   11.000   19.663   2.6796   17.953   2.6766 1.709576 3.787429 
1 1 1    8   35   33 o   9.4028   2.4169   11.200   5.3958   0.0000   0.0000   11.200   5.3958  ?   ?    9.4028   2.4169 0.000000 2.416902 
1 1 1    8   35   34 o   19.035   2.6688   45.400   11.666   0.0000   0.0000   45.400   11.666  ?   ?    19.035   2.6688 0.000000 2.668836 
1 1 1    8   35   35 o   20.561   1.9125   51.518   9.1794   43.200   13.035   59.700   12.929   18.343   3.1213   21.897   2.5480 -3.553839 4.029252 
1 1 1    8   35   36 o   7.3278   1.9717   6.7371   3.4867   5.7000   5.0250   7.7000   4.8420   7.0959   2.4586   7.8760   2.3925 -0.7801132 3.430616 
1 1 1    8   35   37 o   28.620   2.3071  101.490   15.459  114.100   21.503   88.000   22.241   29.811   3.1000   25.658   3.7846 4.153728 4.892131 
1 1 1    8   35   38 o   13.164   2.9172   22.900   8.8294   0.0000   0.0000   22.900   8.8294  ?   ?    13.164   2.9172 0.000000 2.917185 
1 1 1    8   35   39 o   7.1067   2.5735   5.7000   5.5570   0.0000   0.0000   5.7000   5.5570  ?   ?    7.1067   2.5735 0.000000 2.573485 
1 1 1    8   35   40 o   14.796   2.9039   29.800   9.7835   0.0000   0.0000   29.800   9.7835  ?   ?    14.796   2.9039 0.000000 2.903950 
1 1 1    8   35   41 o   6.1899   2.2562   4.3000   4.2815   0.0000   0.0000   4.3000   4.2815  ?   ?    6.1899   2.2562 0.000000 2.256245 
1 1 1    8   35   42 o   9.1086   2.5877   11.400   5.8272   0.0000   0.0000   11.400   5.8272  ?   ?    9.1086   2.5877 0.000000 2.587717 
1 1 1    8   35   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   35   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   36    0 o   36.729   3.6314  165.100   30.789  165.100   30.789  165.100   30.789   36.729   3.6314   36.729   3.6314 0.000000 0.000000 
1 1 1    8   36    1 o   35.404   2.3358  149.595   19.418  169.300   27.717  130.600   27.212   37.515   3.1581   32.824   3.5683 4.690662 4.765146 
1 1 1    8   36    2 o   42.393   2.5409  214.593   25.319  269.900   36.265  162.000   35.364   47.401   3.2598   36.434   4.1865 10.96641 5.305941 
1 1 1    8   36    3 o   58.146   3.4403  406.310   47.025  426.300   66.570  386.400   66.438   59.077   4.8138   56.125   5.0677 2.951992 6.989576 
1 1 1    8   36    4 o   31.722   2.2731  120.176   16.914  121.300   23.653  119.000   24.196   31.694   3.2045   31.365   3.3174 0.3299103 4.612312 
1 1 1    8   36    5 o   12.416   2.1110   18.808   5.9676   32.200   8.4689   5.6000   8.4103   16.309   2.2598   8.2018   3.1274 8.107123 3.858391 
1 1 1    8   36    6 f   56.185   3.2286  379.052   42.654  328.000   60.004  431.200   60.645   51.649   4.9817   59.546   4.3429 -7.897316 6.608987 
1 1 1    8   36    7 o   27.559   2.0405   90.673   13.185  108.300   18.825   73.700   18.472   30.022   2.6837   24.600   3.2603 5.421852 4.222756 
1 1 1    8   36    8 o   29.261   2.2334  102.389   15.315   85.700   21.853  118.500   21.471   26.472   3.5884   31.356   2.9339 -4.884604 4.635137 
1 1 1    8   36    9 o   19.002   1.8498   43.250   8.1950   48.500   11.646   38.100   11.534   20.020   2.5192   17.638   2.8679 2.382496 3.817195 
1 1 1    8   36   10 o   55.799   3.2530  374.886   42.676  405.600   60.516  344.500   60.191   57.556   4.4882   52.845   4.8787 4.711006 6.629108 
1 1 1    8   36   11 o   47.127   2.7911  266.496   30.922  299.200   44.077  234.800   43.391   49.620   3.7904   43.758   4.2531 5.862171 5.697051 
1 1 1    8   36   12 o   20.433   1.8851   50.012   8.9930   48.100   12.936   51.800   12.511   19.853   2.8403   20.664   2.6231 -0.8104057 3.866238 
1 1 1    8   36   13 o   18.548   2.0405   41.416   8.7897   28.200   12.890   52.900   12.016   14.978   3.6727   20.906   2.4826 -5.928311 4.433096 
1 1 1    8   36   14 o   44.539   2.7732  238.673   29.022  245.700   41.270  231.800   40.819   44.773   3.9438   43.447   4.0244 1.326553 5.634670 
1 1 1    8   36   15 o   15.177   1.8027   27.760   6.3346   35.400   9.7107   22.100   8.3577   17.034   2.4876   13.341   2.7446 3.693164 3.704177 
1 1 1    8   36   16 o   11.614   1.8812   16.450   4.9828   12.000   7.0467   20.900   7.0467   9.8856   2.8574   13.028   2.3782 -3.142472 3.717628 
1 1 1    8   36   17 o   25.656   1.9470   78.836   11.708   89.300   16.864   69.100   16.267   27.157   2.6641   23.781   2.9608 3.375452 3.982917 
1 1 1    8   36   18 o   50.266   3.1535  306.704   37.240  282.800   52.894  330.200   52.440   47.424   4.7890   51.542   4.3493 -4.118465 6.469193 
1 1 1    8   36   19 o   37.269   2.4799  167.271   21.700  164.300   30.800  170.200   30.577   36.536   3.6175   37.232   3.5196 -0.6956978 5.047207 
1 1 1    8   36   20 o   7.7436   2.1911   7.3581   4.1864  -3.7000   6.8342   14.000   5.2965   5.4584   2.4705   10.633   2.1826 -5.174351 3.296546 
1 1 1    8   36   21 o   89.524   5.2937  1021.63  111.411  1011.50  157.824  1031.70  157.295   85.321   7.9240   86.376   7.7959 -1.055069 11.11599 
1 1 1    8   36   22 f   77.717   4.0032  747.161   73.217  899.000  104.581  601.200  102.537   83.848   5.3094   67.194   6.5454 16.65414 8.428074 
1 1 1    8   36   23 o   36.736   2.3431  162.514   20.219  186.000   28.772  139.600   28.420   39.013   3.1501   33.567   3.6441 5.446556 4.816861 
1 1 1    8   36   24 o   9.5030   1.8693   11.142   4.0453   14.000   5.8955   8.6000   5.5610   10.590   2.4115   8.4254   2.5650 2.165031 3.520601 
1 1 1    8   36   25 o   31.505   2.2426  119.627   16.575  108.500   23.468  130.700   23.412   29.595   3.4212   32.655   3.0723 -3.059361 4.598184 
1 1 1    8   36   26 o   5.5739   1.8230   3.5696   2.7635   3.1000   3.7947   4.1000   4.0326   5.7304   2.1184   6.2339   2.1997 -0.5035028 3.053901 
1 1 1    8   36   27 o   15.239   1.7645   28.103   6.2320   26.300   8.8213   29.900   8.8055   14.514   2.6722   15.551   2.4813 -1.036914 3.646581 
1 1 1    8   36   28 o   20.799   1.9143   52.278   9.2964   46.400   13.236   58.000   13.060   19.258   3.0090   21.717   2.5982 -2.458971 3.975574 
1 1 1    8   36   29 o   10.607   1.8331   13.856   4.4254   12.700   6.1465   15.100   6.3769   10.033   2.5800   10.943   2.5200 -0.9099245 3.606447 
1 1 1    8   36   30 o   19.731   1.9497   47.278   8.9654   39.900   12.934   54.100   12.438   17.692   3.2145   20.918   2.5723 -3.226517 4.116996 
1 1 1    8   36   31 o   11.775   2.6120   17.600   7.0726   0.0000   0.0000   17.600   7.0726  ?   ?    11.775   2.6120 0.000000 2.611961 
1 1 1    8   36   32 o   19.087   2.6921   45.600   11.797   0.0000   0.0000   45.600   11.797  ?   ?    19.087   2.6921 0.000000 2.692120 
1 1 1    8   36   33 o   35.258   3.5762  159.400   29.362   0.0000   0.0000  159.400   29.362  ?   ?    35.258   3.5762 0.000000 3.576176 
1 1 1    8   36   34 o   45.577   4.4407  278.500   47.185   0.0000   0.0000  278.500   47.185  ?   ?    45.577   4.4407 0.000000 4.440652 
1 1 1    8   36   35 o   24.705   2.0408   74.639   11.799   61.200   16.710   88.000   16.662   21.719   3.3672   26.510   2.6993 -4.791109 4.315557 
1 1 1    8   36   36 o   10.236   2.5155   13.500   6.0367   0.0000   0.0000   13.500   6.0367  ?   ?    10.236   2.5155 0.000000 2.515500 
1 1 1    8   36   37 o   31.585   3.5778  133.800   26.214   0.0000   0.0000  133.800   26.214  ?   ?    31.585   3.5778 0.000000 3.577801 
1 1 1    8   36   38 o   19.795   2.9321   51.900   13.291   0.0000   0.0000   51.900   13.291  ?   ?    19.795   2.9321 0.000000 2.932098 
1 1 1    8   36   39 o   18.822   3.0281   48.200   13.002   0.0000   0.0000   48.200   13.002  ?   ?    18.822   3.0281 0.000000 3.028147 
1 1 1    8   36   40 o  ?   ?   -9.1000   1.5109   0.0000   0.0000  -9.1000   1.5109  ?   ?   ?   ?  0.000000      ? 
1 1 1    8   36   41 o   7.5276   2.7308   7.0000   6.2614   0.0000   0.0000   7.0000   6.2614  ?   ?    7.5276   2.7308 0.000000 2.730829 
1 1 1    8   36   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   36   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   37    0 o   29.244   3.1754  105.200   21.272  105.200   21.272  105.200   21.272   29.244   3.1754   29.244   3.1754 -0.000000 0.000000 
1 1 1    8   37    1 o   69.933   3.9104  592.184   64.316  682.600   91.348  503.300   90.570   74.382   5.2341   63.305   6.1358 11.07703 8.065010 
1 1 1    8   37    2 o   8.1456   2.0163   8.1924   3.8576   18.300   6.2586   2.0000   4.8987   12.214   2.2530   5.8560   2.3413 6.358013 3.249257 
1 1 1    8   37    3 o   30.173   2.1466  108.770   15.194  126.900   21.627   91.100   21.351   32.466   2.8499   27.347   3.3782 5.118849 4.419739 
1 1 1    8   37    4 o   18.627   1.8406   41.572   7.9900   34.100   11.136   49.500   11.470   16.647   2.9404   20.239   2.4500 -3.591793 3.827300 
1 1 1    8   37    5 o   30.283   2.2210  109.684   15.772  112.300   22.375  107.100   22.234   30.447   3.1580   29.711   3.2207 0.7358112 4.510634 
1 1 1    8   37    6 o   82.420   4.7433  833.700   91.925  801.500  129.900  866.000  130.104   79.047   7.0327   82.446   6.7418 -3.398430 9.742235 
1 1 1    8   37    7 o   41.501   2.6184  206.464   25.528  217.400   36.419  195.900   35.794   42.285   3.6841   40.077   3.8288 2.207813 5.313446 
1 1 1    8   37    8 o   63.172   3.7517  484.134   55.713  419.200   78.872  548.800   78.710   57.655   5.8754   66.571   5.0445 -8.915848 7.743836 
1 1 1    8   37    9 o   42.472   2.7540  216.757   27.472  178.900   38.932  254.300   38.771   38.036   4.4169   45.740   3.6192 -7.704548 5.710277 
1 1 1    8   37   10 o   42.093   2.7717  213.120   27.396  170.200   38.844  255.600   38.645   37.009   4.5401   45.838   3.5992 -8.829357 5.793730 
1 1 1    8   37   11 o   39.555   2.6797  188.181   24.881  165.000   35.445  210.700   34.935   36.541   4.1833   41.571   3.5942 -5.030113 5.515269 
1 1 1    8   37   12 f   34.061   2.2440  138.976   17.947  164.300   25.495  114.100   25.268   36.862   2.9538   30.496   3.5769 6.365982 4.638888 
1 1 1    8   37   13 o   28.341   2.0865   96.214   13.865  103.100   20.132   90.000   19.124   29.136   2.9675   27.186   3.0305 1.949717 4.241477 
1 1 1    8   37   14 o   60.744   3.0161  444.482   43.263  559.500   62.172  336.500   60.240   67.595   3.9118   51.771   4.9894 15.82428 6.340104 
1 1 1    8   37   15 o   51.855   2.9980  325.162   36.554  361.800   52.084  289.600   51.314   54.164   4.1027   48.182   4.5646 5.981541 6.137382 
1 1 1    8   37   16 o   36.155   2.3446  157.041   19.909  124.300   27.842  191.300   28.480   31.691   3.7959   39.690   3.0624 -7.998098 4.877257 
1 1 1    8   37   17 o   18.544   2.0902   41.554   8.9930   19.000   13.075   61.800   12.388   12.491   3.9547   22.602   2.3558 -10.11157 4.603178 
1 1 1    8   37   18 o   44.179   2.5403  235.077   26.389  286.500   37.744  185.900   36.911   48.460   3.3183   38.645   4.1078 9.815708 5.280651 
1 1 1    8   37   19 o   33.351   2.2794  133.758   17.843  142.300   25.529  125.600   24.950   34.109   3.2073   31.975   3.3543 2.133305 4.640925 
1 1 1    8   37   20 o   45.249   2.6287  247.158   27.967  290.200   39.927  205.700   39.186   48.644   3.4993   40.602   4.1453 8.042068 5.424837 
1 1 1    8   37   21 o   66.190   3.9317  541.780   61.176  510.800   86.558  572.700   86.475   62.502   5.9360   66.604   5.5488 -4.101337 8.125604 
1 1 1    8   37   22 o   41.423   2.6873  207.750   26.144  178.200   37.004  237.200   36.942   37.659   4.2346   43.854   3.5991 -6.194714 5.557495 
1 1 1    8   37   23 o   49.113   3.0494  293.940   35.190  280.000   49.838  307.800   49.695   47.055   4.5418   49.524   4.2920 -2.468575 6.248890 
1 1 1    8   37   24 o   50.422   3.1558  311.189   37.385  307.200   53.481  315.000   52.280   49.086   4.6703   49.847   4.4897 -0.7610779 6.478387 
1 1 1    8   37   25 o   11.304   1.8529   15.661   4.7746   19.400   6.8366   12.100   6.6710   12.487   2.4058   9.8445   2.7590 2.642561 3.660570 
1 1 1    8   37   26 o   50.647   3.1791  316.000   37.827  304.900   53.742  326.900   53.254   48.533   4.7502   50.475   4.5157 -1.941536 6.554077 
1 1 1    8   37   27 o   40.866   2.6628  203.994   25.555  209.800   36.650  198.500   35.652   40.716   3.8579   39.594   3.8624 1.122639 5.459083 
1 1 1    8   37   28 o   18.098   1.8092   39.632   7.6285   43.100   11.169   36.600   10.444   18.652   2.6073   17.144   2.6665 1.507723 3.729356 
1 1 1    8   37   29 o   27.022   3.0138   91.200   18.903   0.0000   0.0000   91.200   18.903  ?   ?    27.022   3.0138 0.000000 3.013755 
1 1 1    8   37   30 o   7.5791   2.2252   7.1000   4.2437   0.0000   0.0000   7.1000   4.2437  ?   ?    7.5791   2.2252 0.000000 2.225190 
1 1 1    8   37   31 o   27.571   3.0878   95.700   19.757   0.0000   0.0000   95.700   19.757  ?   ?    27.571   3.0878 0.000000 3.087754 
1 1 1    8   37   32 o   29.351   3.1987  109.000   21.810   0.0000   0.0000  109.000   21.810  ?   ?    29.351   3.1987 0.000000 3.198704 
1 1 1    8   37   33 o   12.314   2.5670   19.300   7.2223   0.0000   0.0000   19.300   7.2223  ?   ?    12.314   2.5670 0.000000 2.566985 
1 1 1    8   37   34 o   29.639   3.2297  112.400   22.238   0.0000   0.0000  112.400   22.238  ?   ?    29.639   3.2297 0.000000 3.229670 
1 1 1    8   37   35 o   31.203   3.3967  127.000   24.623   0.0000   0.0000  127.000   24.623  ?   ?    31.203   3.3967 0.000000 3.396746 
1 1 1    8   37   36 o   17.222   2.8755   38.700   11.281   0.0000   0.0000   38.700   11.281  ?   ?    17.222   2.8755 0.000000 2.875499 
1 1 1    8   37   37 o   11.002   2.6697   16.100   6.8654   0.0000   0.0000   16.100   6.8654  ?   ?    11.002   2.6697 0.000000 2.669716 
1 1 1    8   37   38 o   2.7482   1.3608  -7.4000   3.2964   0.0000   0.0000  -7.4000   3.2964  ?   ?    2.7482   1.3608 0.000000 1.360780 
1 1 1    8   37   39 o   12.215   3.0002   20.900   8.5910   0.0000   0.0000   20.900   8.5910  ?   ?    12.215   3.0002 0.000000 3.000243 
1 1 1    8   37   40 o   2.4111   1.2035  -7.2000   2.7934   0.0000   0.0000  -7.2000   2.7934  ?   ?    2.4111   1.2035 0.000000 1.203479 
1 1 1    8   37   41 o   8.4876   2.7058   9.8000   6.1129   0.0000   0.0000   9.8000   6.1129  ?   ?    8.4876   2.7058 0.000000 2.705797 
1 1 1    8   37   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   38    0 o   41.197   3.8865  208.300   37.035  208.300   37.035  208.300   37.035   41.197   3.8865   41.197   3.8865 -0.000000 0.000000 
1 1 1    8   38    1 o   41.663   2.5567  208.111   25.032  153.400   35.182  264.200   35.623   35.221   4.3208   46.756   3.2466 -11.53457 5.404606 
1 1 1    8   38    2 o   20.235   1.9847   49.145   9.3610   36.300   13.369   61.500   13.112   17.062   3.4371   22.561   2.5033 -5.499405 4.252094 
1 1 1    8   38    3 o   17.032   1.8004   34.832   7.1313   29.100   10.069   40.600   10.101   15.342   2.8854   18.297   2.3955 -2.954938 3.750175 
1 1 1    8   38    4 o   70.834   4.1252  613.150   68.701  667.200   97.158  559.100   97.158   72.808   5.6966   66.168   6.2941 6.639893 8.489193 
1 1 1    8   38    5 o   37.314   2.5149  167.116   22.031  160.800   31.196  173.400   31.116   36.259   3.6952   37.719   3.5347 -1.460556 5.113586 
1 1 1    8   38    6 o   56.801   3.3756  390.677   45.073  399.100   64.219  382.500   63.278   56.677   4.8449   55.458   4.8817 1.219212 6.877833 
1 1 1    8   38    7 o   19.960   1.8380   47.749   8.5657   53.600   12.395   42.400   11.851   21.023   2.5490   18.612   2.7817 2.410860 3.772927 
1 1 1    8   38    8 o   47.529   2.7796  271.791   31.061  311.700   44.358  233.400   43.507   50.538   3.7436   43.465   4.2951 7.072887 5.697597 
1 1 1    8   38    9 f   79.135   4.6206  774.542   85.968  720.000  121.680  828.900  121.474   74.127   7.0358   80.167   6.4721 -6.039520 9.559827 
1 1 1    8   38   10 o   27.889   2.1311   93.257   13.929   77.600   19.767  108.700   19.631   25.109   3.4230   29.965   2.8071 -4.855568 4.426807 
1 1 1    8   38   11 o   29.065   2.2003  101.376   14.990   97.700   21.585  104.800   20.832   28.248   3.2981   29.341   3.0513 -1.093519 4.493051 
1 1 1    8   38   12 o   27.034   2.0964   87.677   13.278   82.000   18.909   93.200   18.650   25.877   3.1601   27.686   2.8956 -1.808691 4.286139 
1 1 1    8   38   13 o   22.148   1.9371   58.871   10.029   54.100   14.291   63.500   14.078   20.992   2.9656   22.852   2.6585 -1.860012 3.982741 
1 1 1    8   38   14 o   27.424   2.2085   90.428   14.181   82.900   20.687   97.100   19.477   25.906   3.4689   28.226   2.9665 -2.320650 4.564343 
1 1 1    8   38   15 o   6.3626   2.0267   4.7355   3.4300   0.8000   4.7301   9.1000   4.9812   5.3956   2.2451   8.5875   2.3761 -3.191945 3.268976 
1 1 1    8   38   16 o   41.619   2.7000  209.217   26.391  193.400   37.343  225.000   37.304   39.449   4.0671   42.739   3.7338 -3.289902 5.521077 
1 1 1    8   38   17 o   70.443   3.9123  611.436   64.822  678.300   92.241  546.200   91.112   72.860   5.3998   64.750   6.0283 8.110588 8.093053 
1 1 1    8   38   18 o   29.940   2.2407  107.875   15.727  100.700   22.524  114.700   21.969   28.569   3.4060   30.628   3.0792 -2.059814 4.591521 
1 1 1    8   38   19 o   25.290   1.9981   76.819   11.835   78.800   16.872   74.900   16.606   25.394   2.8637   24.741   2.8973 0.6535168 4.073681 
1 1 1    8   38   20 o   15.235   1.5235   27.859   5.4071   56.100   9.2709   13.300   6.6564   21.616   1.8335   10.316   2.7008 11.30021 3.264376 
1 1 1    8   38   21 o   49.193   3.0164  294.533   34.871  303.200   49.807  286.200   48.837   49.148   4.3360   47.710   4.3839 1.437717 6.166020 
1 1 1    8   38   22 o   41.721   2.4896  210.330   24.416  243.400   34.836  178.400   34.231   44.498   3.3397   37.788   3.8919 6.709614 5.128397 
1 1 1    8   38   23 o   18.712   1.8025   42.186   7.8660   53.400   11.757   33.100   10.583   20.920   2.4250   16.292   2.8550 4.627693 3.745879 
1 1 1    8   38   24 o   6.7825   2.0358   5.5735   3.5211   7.3000   5.5351   4.4000   4.5634   7.8953   2.5799   6.5257   2.3360 1.369678 3.480326 
1 1 1    8   38   25 o   11.171   1.6641   15.218   4.2557   29.200   7.2284   7.8000   5.2648   15.470   2.0276   8.0377   2.5043 7.432318 3.222228 
1 1 1    8   38   26 o   46.994   3.0772  272.621   33.960  231.700   48.187  313.000   47.867   41.884   4.9690   49.527   4.1306 -7.643051 6.461613 
1 1 1    8   38   27 o   21.931   2.7604   59.700   13.978   0.0000   0.0000   59.700   13.978  ?   ?    21.931   2.7604 0.000000 2.760353 
1 1 1    8   38   28 o   52.245   4.9217  365.100   60.004   0.0000   0.0000  365.100   60.004  ?   ?    52.245   4.9217 0.000000 4.921748 
1 1 1    8   38   29 o   22.502   2.8745   63.400   14.925   0.0000   0.0000   63.400   14.925  ?   ?    22.502   2.8745 0.000000 2.874472 
1 1 1    8   38   30 o   43.703   4.2246  250.400   43.053   0.0000   0.0000  250.400   43.053  ?   ?    43.703   4.2246 0.000000 4.224630 
1 1 1    8   38   31 o   20.965   2.7651   55.100   13.355   0.0000   0.0000   55.100   13.355  ?   ?    20.965   2.7651 0.000000 2.765073 
1 1 1    8   38   32 o   45.858   4.4735  282.600   47.826   0.0000   0.0000  282.600   47.826  ?   ?    45.858   4.4735 0.000000 4.473506 
1 1 1    8   38   33 o   20.486   2.7720   53.100   13.065   0.0000   0.0000   53.100   13.065  ?   ?    20.486   2.7720 0.000000 2.772006 
1 1 1    8   38   34 o   19.533   2.8709   49.000   12.847   0.0000   0.0000   49.000   12.847  ?   ?    19.533   2.8709 0.000000 2.870947 
1 1 1    8   38   35 o   38.408   4.0505  205.000   36.181   0.0000   0.0000  205.000   36.181  ?   ?    38.408   4.0505 0.000000 4.050464 
1 1 1    8   38   36 o   8.3433   2.5794   9.0000   5.5975   0.0000   0.0000   9.0000   5.5975  ?   ?    8.3433   2.5794 0.000000 2.579425 
1 1 1    8   38   37 o   13.918   2.9445   26.500   9.3754   0.0000   0.0000   26.500   9.3754  ?   ?    13.918   2.9445 0.000000 2.944497 
1 1 1    8   38   38 o   9.9840   2.8759   13.800   7.1491   0.0000   0.0000   13.800   7.1491  ?   ?    9.9840   2.8759 0.000000 2.875875 
1 1 1    8   38   39 o   13.272   2.8553   24.500   8.6829   0.0000   0.0000   24.500   8.6829  ?   ?    13.272   2.8553 0.000000 2.855253 
1 1 1    8   38   40 o   5.8193   2.2457   3.3000   4.3716   0.0000   0.0000   3.3000   4.3716  ?   ?    5.8193   2.2457 0.000000 2.245750 
1 1 1    8   38   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   39    0 o   14.424   3.3466   28.400   9.9150   28.400   9.9150   28.400   9.9150   14.424   3.3466   14.424   3.3466 0.000000 0.000000 
1 1 1    8   39    1 o   30.397   2.1904  110.733   15.617   84.600   21.975  137.400   22.198   26.176   3.6549   33.726   2.8130 -7.549635 4.612115 
1 1 1    8   39    2 o   60.637   3.5522  446.958   50.641  407.900   71.443  486.400   71.794   56.873   5.3839   62.469   4.9065 -5.596298 7.284172 
1 1 1    8   39    3 o   73.368   4.0880  659.696   70.543  742.800  100.223  578.100   99.309   76.689   5.5725   66.961   6.3569 9.728172 8.453531 
1 1 1    8   39    4 o   24.496   2.0104   71.923   11.526   78.400   16.466   65.700   16.140   25.415   2.7896   23.182   3.0201 2.232170 4.111301 
1 1 1    8   39    5 o   62.238   3.8066  473.241   55.675  403.900   78.931  541.900   78.542   56.059   6.0591   65.761   5.0977 -9.702427 7.918292 
1 1 1    8   39    6 o   27.479   2.0926   90.517   13.476   95.400   19.442   86.000   18.697   28.003   2.9862   26.559   3.0359 1.444025 4.258418 
1 1 1    8   39    7 o   8.4735   1.9354   8.8867   3.7876   12.500   5.8000   6.2000   5.0013   10.025   2.4669   7.3872   2.4542 2.637704 3.479770 
1 1 1    8   39    8 o   45.041   2.6711  244.303   28.283  276.900   40.475  213.200   39.537   47.580   3.6299   41.520   4.0855 6.059219 5.465097 
1 1 1    8   39    9 o   35.398   2.3602  150.514   19.615  162.400   28.284  139.500   27.226   36.479   3.3198   33.738   3.4668 2.741405 4.799932 
1 1 1    8   39   10 f   16.599   1.7831   33.148   6.8793   30.300   9.6420   36.100   9.8180   15.671   2.7033   17.188   2.4917 -1.516796 3.676472 
1 1 1    8   39   11 o   42.044   2.7112  213.340   26.774  208.000   38.007  218.600   37.723   41.008   3.9748   42.113   3.8353 -1.105026 5.523509 
1 1 1    8   39   12 o   22.551   2.1357   61.251   11.237   44.300   16.329   76.500   15.487   18.717   3.8238   25.101   2.6530 -6.384356 4.654005 
1 1 1    8   39   13 o   13.743   1.8746   22.905   5.9250   39.000   8.3271   6.4000   8.4323   17.976   1.9954   8.3692   3.1452 9.607060 3.724717 
1 1 1    8   39   14 o   31.546   2.3834  119.879   17.623   99.300   25.258  139.400   24.600   28.215   3.8947   33.803   3.1170 -5.587778 4.988477 
1 1 1    8   39   15 o   49.204   3.0565  294.016   35.338  256.900   50.020  331.000   49.931   45.091   4.7702   51.642   4.1290 -6.551464 6.309000 
1 1 1    8   39   16 o   88.926   5.2343  1006.32  109.429  887.200  154.737  1125.50  154.776   79.171   8.4054   91.125   7.2529 -11.95457 11.10209 
1 1 1    8   39   17 o   34.464   2.1050  142.477   17.049  177.300   24.621  110.400   23.630   38.259   2.7435   29.924   3.4048 8.334913 4.372540 
1 1 1    8   39   18 o   16.703   1.9118   33.708   7.4045   32.900   10.899   34.400   10.091   16.256   2.9479   16.709   2.6457 -0.4529572 3.961048 
1 1 1    8   39   19 o   16.879   1.8033   34.338   7.0764   34.600   10.254   34.100   9.7783   16.744   2.6839   16.649   2.5699 0.9536362E-01 3.715930 
1 1 1    8   39   20 f   66.349   3.9085  546.732   60.965  564.300   86.636  529.500   85.805   65.705   5.6385   63.474   5.7884 2.230965 8.080711 
1 1 1    8   39   21 o   69.885   4.2069  613.789   69.100  573.400   97.830  654.000   97.614   64.957   6.4638   70.079   5.9552 -5.121811 8.788955 
1 1 1    8   39   22 o   36.231   2.6732  159.862   22.709  127.100   32.558  190.900   31.690   31.401   4.5213   39.223   3.4569 -7.822250 5.691393 
1 1 1    8   39   23 o   22.009   1.9707   58.520   10.134   55.000   14.591   61.800   14.084   21.009   3.0287   22.400   2.7183 -1.390755 4.069665 
1 1 1    8   39   24 o   22.866   1.9369   63.146   10.360   70.400   15.509   57.300   13.922   23.874   2.8044   21.508   2.8082 2.366409 3.968758 
1 1 1    8   39   25 o   49.921   4.6429  325.300   54.105   0.0000   0.0000  325.300   54.105  ?   ?    49.921   4.6429 0.000000 4.642943 
1 1 1    8   39   26 o   51.305   4.8168  349.000   57.673   0.0000   0.0000  349.000   57.673  ?   ?    51.305   4.8168 0.000000 4.816842 
1 1 1    8   39   27 o   24.916   2.9423   77.600   16.977   0.0000   0.0000   77.600   16.977  ?   ?    24.916   2.9423 0.000000 2.942331 
1 1 1    8   39   28 o   33.882   3.4800  145.900   27.447   0.0000   0.0000  145.900   27.447  ?   ?    33.882   3.4800 0.000000 3.480037 
1 1 1    8   39   29 o   24.298   2.9198   74.000   16.417   0.0000   0.0000   74.000   16.417  ?   ?    24.298   2.9198 0.000000 2.919828 
1 1 1    8   39   30 o   43.873   4.2635  254.400   43.612   0.0000   0.0000  254.400   43.612  ?   ?    43.873   4.2635 0.000000 4.263531 
1 1 1    8   39   31 o   25.987   3.0037   85.400   18.092   0.0000   0.0000   85.400   18.092  ?   ?    25.987   3.0037 0.000000 3.003670 
1 1 1    8   39   32 o   8.3868   2.3819   8.9000   4.9378   0.0000   0.0000   8.9000   4.9378  ?   ?    8.3868   2.3819 0.000000 2.381857 
1 1 1    8   39   33 o   32.443   3.4697  138.600   26.169   0.0000   0.0000  138.600   26.169  ?   ?    32.443   3.4697 0.000000 3.469692 
1 1 1    8   39   34 f   17.962   2.8209   42.100   11.571   0.0000   0.0000   42.100   11.571  ?   ?    17.962   2.8209 0.000000 2.820945 
1 1 1    8   39   35 o   4.0631   1.7835  -0.6000   3.2897   0.0000   0.0000  -0.6000   3.2897  ?   ?    4.0631   1.7835 0.000000 1.783544 
1 1 1    8   39   36 o   7.3860   2.4274   6.9000   4.8975   0.0000   0.0000   6.9000   4.8975  ?   ?    7.3860   2.4274 0.000000 2.427402 
1 1 1    8   39   37 o   10.686   2.7443   15.700   6.9609   0.0000   0.0000   15.700   6.9609  ?   ?    10.686   2.7443 0.000000 2.744257 
1 1 1    8   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40    0 o   19.889   3.0843   50.400   13.449   50.400   13.449   50.400   13.449   19.889   3.0843   19.889   3.0843 0.000000 0.000000 
1 1 1    8   40    1 o   56.183   3.2755  383.229   43.268  432.100   61.457  335.200   60.926   59.005   4.4435   51.553   5.0704 7.452339 6.741882 
1 1 1    8   40    2 o   21.822   2.0400   57.253   10.390   74.300   14.527   39.400   14.867   24.780   2.5176   17.683   3.6801 7.097687 4.458888 
1 1 1    8   40    3 o   14.374   2.0526   25.119   6.7692   33.300   9.2308   15.600   9.9567   16.508   2.4417   11.294   3.4309 5.214445 4.211028 
1 1 1    8   40    4 o   49.401   2.9236  294.956   33.953  326.400   48.445  264.600   47.599   51.461   4.0185   46.095   4.4274 5.365494 5.979169 
1 1 1    8   40    5 o   35.630   2.4356  152.708   20.369  148.700   29.019  156.600   28.599   34.787   3.5839   35.766   3.4282 -0.9786987 4.959548 
1 1 1    8   40    6 o   43.822   2.7974  231.957   28.797  176.800   40.746  287.000   40.704   37.449   4.7121   48.428   3.5849 -10.97900 5.920740 
1 1 1    8   40    7 o   23.645   1.9695   67.087   10.897   67.500   15.663   66.700   15.170   23.508   2.8820   23.387   2.8028 0.1206017 4.020125 
1 1 1    8   40    8 o   52.256   3.2220  331.862   39.564  322.800   56.306  340.700   55.605   50.697   4.7591   52.222   4.5547 -1.525612 6.587445 
1 1 1    8   40    9 o   44.463   2.5949  238.115   27.126  282.500   38.829  195.800   37.913   48.094   3.4418   39.710   4.1023 8.384254 5.354896 
1 1 1    8   40   10 o   31.208   2.2203  116.999   16.256  119.100   23.283  115.000   22.706   31.204   3.2054   30.665   3.1820 0.5394974 4.516589 
1 1 1    8   40   11 o   13.059   1.8434   20.703   5.5266   16.600   7.7718   24.900   7.8604   11.513   2.8690   14.225   2.4273 -2.711084 3.758013 
1 1 1    8   40   12 o   61.399   3.6225  461.989   52.288  475.800   74.248  448.400   73.649   61.163   5.1898   59.259   5.3199 1.903728 7.432078 
1 1 1    8   40   13 o   27.258   2.1036   89.270   13.435   82.600   19.101   95.800   18.900   25.921   3.1878   28.033   2.8970 -2.111393 4.307557 
1 1 1    8   40   14 o   14.008   2.0493   23.911   6.5783   14.500   9.8101   31.600   8.8674   10.931   3.4206   16.063   2.4123 -5.132210 4.185664 
1 1 1    8   40   15 f   16.935   1.8827   34.611   7.4016   38.100   10.781   31.500   10.179   17.598   2.6790   15.937   2.8075 1.661177 3.880569 
1 1 1    8   40   16 o   12.209   1.8145   18.141   5.0719   22.800   7.4420   14.100   6.9308   13.591   2.4069   10.617   2.7445 2.974721 3.650413 
1 1 1    8   40   17 o   20.144   2.0612   49.009   9.6663   36.900   14.188   59.500   13.205   17.042   3.6363   22.086   2.5807 -5.044199 4.459017 
1 1 1    8   40   18 o   46.698   2.9552  265.683   32.419  254.800   46.024  276.400   45.672   44.901   4.3972   46.935   4.1641 -2.034019 6.056015 
1 1 1    8   40   19 o   27.445   2.0689   90.742   13.310  100.100   19.267   82.200   18.409   28.571   2.8958   25.799   3.0827 2.771843 4.229493 
1 1 1    8   40   20 o   11.672   1.9310   16.717   5.1359   9.8000   7.6111   22.500   6.9591   9.1449   3.0271   13.506   2.2620 -4.361514 3.778836 
1 1 1    8   40   21 o   34.719   2.4223  146.278   19.735  142.500   28.209  149.900   27.619   33.727   3.5975   34.696   3.4153 -0.9690285 4.960499 
1 1 1    8   40   22 o   24.840   2.8952   76.300   16.663   0.0000   0.0000   76.300   16.663  ?   ?    24.840   2.8952 0.000000 2.895185 
1 1 1    8   40   23 o   14.240   2.6388   25.400   8.5461   0.0000   0.0000   25.400   8.5461  ?   ?    14.240   2.6388 0.000000 2.638766 
1 1 1    8   40   24 o   10.561   2.5275   14.100   6.2190   0.0000   0.0000   14.100   6.2190  ?   ?    10.561   2.5275 0.000000 2.527523 
1 1 1    8   40   25 o   21.116   2.7490   55.500   13.382   0.0000   0.0000   55.500   13.382  ?   ?    21.116   2.7490 0.000000 2.748970 
1 1 1    8   40   26 o   48.502   4.5960  311.300   52.011   0.0000   0.0000  311.300   52.011  ?   ?    48.502   4.5960 0.000000 4.596044 
1 1 1    8   40   27 o   19.521   2.7102   47.600   12.156   0.0000   0.0000   47.600   12.156  ?   ?    19.521   2.7102 0.000000 2.710223 
1 1 1    8   40   28 o   22.869   2.8364   65.500   14.989   0.0000   0.0000   65.500   14.989  ?   ?    22.869   2.8364 0.000000 2.836407 
1 1 1    8   40   29 o   5.3500   2.0873   2.2000   3.8083   0.0000   0.0000   2.2000   3.8083  ?   ?    5.3500   2.0873 0.000000 2.087254 
1 1 1    8   40   30 o   17.098   2.7091   37.000   10.573   0.0000   0.0000   37.000   10.573  ?   ?    17.098   2.7091 0.000000 2.709078 
1 1 1    8   40   31 o   37.042   3.8069  181.800   32.825   0.0000   0.0000  181.800   32.825  ?   ?    37.042   3.8069 0.000000 3.806854 
1 1 1    8   40   32 o   5.8504   2.2151   3.2000   4.2006   0.0000   0.0000   3.2000   4.2006  ?   ?    5.8504   2.2151 0.000000 2.215081 
1 1 1    8   40   33 o   23.434   2.9481   72.000   15.953   0.0000   0.0000   72.000   15.953  ?   ?    23.434   2.9481 0.000000 2.948110 
1 1 1    8   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   41    0 o   6.3593   3.0983   7.1000   5.4756   7.1000   5.4756   7.1000   5.4756   6.3593   3.0983   6.3593   3.0983 -0.000000 0.000000 
1 1 1    8   41    1 o   17.290   1.8930   36.024   7.6027   22.800   10.762   49.200   10.742   13.449   3.3897   20.157   2.2979 -6.707160 4.095214 
1 1 1    8   41    2 o   16.156   1.8276   31.458   6.8497   35.800   9.6778   27.100   9.6960   17.117   2.4655   14.757   2.8860 2.360294 3.795704 
1 1 1    8   41    3 o   52.137   3.2567  330.583   39.894  263.600   56.517  397.100   56.320   45.398   5.3765   56.600   4.2448 -11.20208 6.850255 
1 1 1    8   41    4 o   41.184   2.5310  204.191   24.495  229.800   35.144  180.000   34.158   43.347   3.4624   38.177   3.8412 5.169876 5.171323 
1 1 1    8   41    5 o   31.606   2.2787  120.081   16.893  114.400   23.749  125.900   24.034   30.533   3.3490   32.092   3.2147 -1.559650 4.642243 
1 1 1    8   41    6 o   16.301   1.6520   31.910   6.2712   45.500   9.1763   20.000   8.5904   19.427   2.0303   12.632   2.9357 6.794539 3.569416 
1 1 1    8   41    7 o   72.318   4.1739  647.174   70.975  677.300  101.014  617.800   99.745   72.297   5.9704   68.788   6.2075 3.508545 8.612716 
1 1 1    8   41    8 o   51.846   3.3138  327.675   40.358  265.000   57.271  389.500   56.881   45.399   5.4512   55.933   4.3406 -10.53372 6.968271 
1 1 1    8   41    9 o   23.665   2.0107   67.286   11.130   64.700   15.852   69.800   15.631   22.961   2.9949   23.911   2.8228 -0.9494743 4.115490 
1 1 1    8   41   10 o   20.898   1.9331   52.507   9.4313   41.800   13.406   63.000   13.271   18.317   3.2166   22.779   2.5089 -4.461380 4.079399 
1 1 1    8   41   11 o   76.185   4.4659  724.685   79.990  730.100  113.279  719.300  112.967   74.242   6.5279   73.644   6.5650 0.5985489 9.258114 
1 1 1    8   41   12 o   49.740   3.2098  301.600   37.500  250.300   53.242  352.100   52.825   44.178   5.2035   53.152   4.2442 -8.974010 6.714912 
1 1 1    8   41   13 o   71.217   4.2378  631.094   70.944  526.800  100.375  735.200  100.284   62.471   6.9205   75.395   5.6744 -12.92378 8.949482 
1 1 1    8   41   14 o   24.425   2.0055   71.736   11.465   74.300   16.796   69.500   15.688   24.608   2.9493   23.821   2.8452 0.7875195 4.098000 
1 1 1    8   41   15 o   37.221   2.6211  167.857   22.890  134.400   32.598  200.400   32.150   32.555   4.3492   40.345   3.4065 -7.789928 5.524518 
1 1 1    8   41   16 o   6.3201   2.0015   4.7069   3.3490   12.700   5.4650  -0.1000   4.2380   10.083   2.3403   4.8618   2.0789 5.221459 3.130286 
1 1 1    8   41   17 f   43.478   2.7026  229.690   27.609  251.300   39.333  208.700   38.765   44.916   3.7425   40.703   4.0884 4.213142 5.542671 
1 1 1    8   41   18 o   17.613   1.9390   37.566   7.9310   22.300   11.377   52.000   11.062   13.208   3.5648   20.663   2.3066 -7.455127 4.246000 
1 1 1    8   41   19 o   11.507   2.1906   16.433   5.7351   4.3000   9.0091   24.700   7.4366   7.9604   3.1777   14.145   2.3059 -6.184555 3.926189 
1 1 1    8   41   20 o   15.078   2.5930   28.300   8.8995   0.0000   0.0000   28.300   8.8995  ?   ?    15.078   2.5930 0.000000 2.592968 
1 1 1    8   41   21 o   10.967   2.6302   15.200   6.7236   0.0000   0.0000   15.200   6.7236  ?   ?    10.967   2.6302 0.000000 2.630166 
1 1 1    8   41   22 o   30.159   3.1976  113.700   22.425   0.0000   0.0000  113.700   22.425  ?   ?    30.159   3.1976 0.000000 3.197552 
1 1 1    8   41   23 o   39.178   3.8096  195.900   34.799   0.0000   0.0000  195.900   34.799  ?   ?    39.178   3.8096 0.000000 3.809644 
1 1 1    8   41   24 o   19.707   2.7643   48.500   12.510   0.0000   0.0000   48.500   12.510  ?   ?    19.707   2.7643 0.000000 2.764349 
1 1 1    8   41   25 o   35.080   3.5404  156.400   28.926   0.0000   0.0000  156.400   28.926  ?   ?    35.080   3.5404 0.000000 3.540353 
1 1 1    8   41   26 o   33.135   3.4178  139.300   26.359   0.0000   0.0000  139.300   26.359  ?   ?    33.135   3.4178 0.000000 3.417835 
1 1 1    8   41   27 o   11.721   2.4746   17.400   6.6339   0.0000   0.0000   17.400   6.6339  ?   ?    11.721   2.4746 0.000000 2.474575 
1 1 1    8   41   28 o   36.767   3.6997  174.900   31.684   0.0000   0.0000  174.900   31.684  ?   ?    36.767   3.6997 0.000000 3.699675 
1 1 1    8   41   29 o   23.308   2.8928   68.900   15.580   0.0000   0.0000   68.900   15.580  ?   ?    23.308   2.8928 0.000000 2.892846 
1 1 1    8   41   30 o   41.161   4.2072  231.300   40.317   0.0000   0.0000  231.300   40.317  ?   ?    41.161   4.2072 0.000000 4.207186 
1 1 1    8   41   31 o   16.030   2.8591   33.600   10.426   0.0000   0.0000   33.600   10.426  ?   ?    16.030   2.8591 0.000000 2.859105 
1 1 1    8   41   32 f   25.803   3.2477   89.200   19.350   0.0000   0.0000   89.200   19.350  ?   ?    25.803   3.2477 0.000000 3.247670 
1 1 1    8   41   33 o   22.779   3.1918   70.600   16.697   0.0000   0.0000   70.600   16.697  ?   ?    22.779   3.1918 0.000000 3.191823 
1 1 1    8   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   41   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   42    0 o   48.729   4.4280  294.100   49.984  294.100   49.984  294.100   49.984   48.729   4.4280   48.729   4.4280 0.000000 0.000000 
1 1 1    8   42    1 o   50.763   3.1187  313.013   37.204  295.600   52.410  330.700   52.820   48.520   4.6306   51.495   4.3856 -2.974480 6.377747 
1 1 1    8   42    2 o   57.616   3.2364  403.797   43.853  459.500   62.594  350.100   61.457   60.740   4.3938   52.569   5.0115 8.171165 6.664874 
1 1 1    8   42    3 o   31.146   2.2074  116.554   16.129  123.200   23.164  110.300   22.472   31.756   3.1298   30.001   3.2226 1.754801 4.492306 
1 1 1    8   42    4 o   54.978   3.2649  368.104   42.196  391.400   59.995  345.300   59.358   55.886   4.5867   52.285   4.8635 3.600414 6.685154 
1 1 1    8   42    5 o   11.050   2.0139   15.013   5.0611   12.200   7.6527   17.200   6.7474   9.9891   3.0019   11.755   2.5073 -1.766129 3.911230 
1 1 1    8   42    6 o   72.177   3.9832  643.106   67.624  754.600   96.002  533.300   95.273   76.919   5.3182   63.527   6.4401 13.39214 8.352133 
1 1 1    8   42    7 o   31.827   2.3609  122.044   17.617   96.500   25.085  146.900   24.746   27.772   3.9353   34.714   3.0497 -6.942314 4.978686 
1 1 1    8   42    8 f   9.3492   2.1016   10.851   4.5269   7.5000   7.5914   12.700   5.6392   8.4543   3.0143   10.094   2.4009 -1.639400 3.853649 
1 1 1    8   42    9 f   29.776   2.2525  106.742   15.720   92.100   22.421  120.900   22.048   27.241   3.5716   31.473   3.0030 -4.231915 4.666321 
1 1 1    8   42   10 o   37.088   2.5248  166.136   21.980  115.100   31.127  216.900   31.043   30.068   4.5240   42.154   3.1412 -12.08580 5.507632 
1 1 1    8   42   11 o   22.400   1.9510   60.358   10.217   65.900   14.949   55.500   13.995   23.202   2.7842   21.244   2.8628 1.957966 3.993411 
1 1 1    8   42   12 o   45.981   2.7333  256.340   29.544  290.000   42.173  223.900   41.402   48.392   3.7191   42.210   4.2099 6.182110 5.617389 
1 1 1    8   42   13 o   27.408   2.1178   90.524   13.600   85.600   19.382   95.300   19.088   26.316   3.1838   27.871   2.9449 -1.555323 4.336946 
1 1 1    8   42   14 o   25.616   2.1406   79.211   12.830   72.400   18.594   85.400   17.725   24.098   3.3590   26.375   2.8936 -2.276936 4.433465 
1 1 1    8   42   15 o   26.876   2.0689   87.087   13.029   92.900   18.879   81.800   18.004   27.477   2.9562   25.743   3.0190 1.733915 4.225359 
1 1 1    8   42   16 o   15.964   1.9098   30.925   7.0564   34.000   10.398   28.300   9.6077   16.527   2.7617   15.033   2.8099 1.494127 3.939885 
1 1 1    8   42   17 o   53.093   4.8534  366.100   60.174   0.0000   0.0000  366.100   60.174  ?   ?    53.093   4.8534 0.000000 4.853395 
1 1 1    8   42   18 o   40.246   3.8614  204.600   36.247   0.0000   0.0000  204.600   36.247  ?   ?    40.246   3.8614 0.000000 3.861412 
1 1 1    8   42   19 o   39.327   3.7991  195.900   34.840   0.0000   0.0000  195.900   34.840  ?   ?    39.327   3.7991 0.000000 3.799053 
1 1 1    8   42   20 o   21.807   2.8176   59.100   14.169   0.0000   0.0000   59.100   14.169  ?   ?    21.807   2.8176 0.000000 2.817570 
1 1 1    8   42   21 o   20.335   2.7148   51.400   12.711   0.0000   0.0000   51.400   12.711  ?   ?    20.335   2.7148 0.000000 2.714818 
1 1 1    8   42   22 o   33.568   3.4297  142.300   26.804   0.0000   0.0000  142.300   26.804  ?   ?    33.568   3.4297 0.000000 3.429740 
1 1 1    8   42   23 o   23.807   2.8708   70.700   15.813   0.0000   0.0000   70.700   15.813  ?   ?    23.807   2.8708 0.000000 2.870804 
1 1 1    8   42   24 o   21.897   2.8196   59.900   14.240   0.0000   0.0000   59.900   14.240  ?   ?    21.897   2.8196 0.000000 2.819557 
1 1 1    8   42   25 o   46.415   4.4685  285.700   48.370   0.0000   0.0000  285.700   48.370  ?   ?    46.415   4.4685 0.000000 4.468518 
1 1 1    8   42   26 f   30.620   3.2961  119.200   23.457   0.0000   0.0000  119.200   23.457  ?   ?    30.620   3.2961 0.000000 3.296081 
1 1 1    8   42   27 o   18.385   2.7730   42.800   11.664   0.0000   0.0000   42.800   11.664  ?   ?    18.385   2.7730 0.000000 2.772974 
1 1 1    8   42   28 o   13.552   2.7655   23.700   8.5501   0.0000   0.0000   23.700   8.5501  ?   ?    13.552   2.7655 0.000000 2.765488 
1 1 1    8   42   29 o   15.609   2.6428   31.300   9.3931   0.0000   0.0000   31.300   9.3931  ?   ?    15.609   2.6428 0.000000 2.642767 
1 1 1    8   42   30 o   2.7177   1.3119  -3.9000   2.5335   0.0000   0.0000  -3.9000   2.5335  ?   ?    2.7177   1.3119 0.000000 1.311863 
1 1 1    8   42   31 o   15.143   2.9489   30.800   10.166   0.0000   0.0000   30.800   10.166  ?   ?    15.143   2.9489 0.000000 2.948883 
1 1 1    8   42   32 o   12.950   3.1367   23.300   9.4900   0.0000   0.0000   23.300   9.4900  ?   ?    12.950   3.1367 0.000000 3.136660 
1 1 1    8   42   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   42   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   42   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   42   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   43    0 o   36.536   3.6954  165.300   31.134  165.300   31.134  165.300   31.134   36.536   3.6954   36.536   3.6954 -0.000000 0.000000 
1 1 1    8   43    1 o   3.7975   1.6899  -1.1675   3.0514   9.7000   5.1926  -6.9000   3.7713   8.8487   2.4168   3.1758   1.5485 5.672914 2.870326 
1 1 1    8   43    2 o   35.353   2.4079  150.667   19.982  148.800   28.390  152.500   28.130   34.737   3.5091   35.204   3.4274 -0.4668198 4.905165 
1 1 1    8   43    3 f   69.122   4.1196  593.433   66.936  536.000   94.731  650.700   94.594   63.525   6.4024   70.829   5.7041 -7.303833 8.574850 
1 1 1    8   43    4 o   6.9771   2.1466   5.8244   3.8821  -5.3000   4.9238   24.100   6.3110   4.1504   1.9533   14.080   1.9506 -9.929502 2.760418 
1 1 1    8   43    5 o   32.310   2.2461  125.677   17.031  135.100   24.382  116.700   23.799   33.207   3.1469   30.776   3.3277 2.430843 4.580029 
1 1 1    8   43    6 o   18.072   1.8165   39.327   7.6472   40.900   11.087   37.900   10.562   18.241   2.6514   17.553   2.6292 0.6888142 3.733989 
1 1 1    8   43    7 o   29.586   2.1915  105.436   15.201  109.700   21.942  101.500   21.080   29.871   3.1587   28.721   3.1605 1.150103 4.468372 
1 1 1    8   43    8 o   45.029   2.9138  246.851   30.817  224.500   43.781  268.800   43.385   42.085   4.4741   46.394   3.9992 -4.308949 6.000953 
1 1 1    8   43    9 f   50.716   3.0945  314.297   36.882  330.800   52.325  298.000   51.996   51.196   4.3700   48.406   4.6043 2.789879 6.348005 
1 1 1    8   43   10 o   24.380   2.0362   71.629   11.615   63.600   16.562   79.400   16.294   22.627   3.1880   25.473   2.7526 -2.845739 4.211894 
1 1 1    8   43   11 o   23.723   2.0253   67.867   11.237   63.000   16.181   72.400   15.616   22.526   3.1263   24.294   2.7717 -1.768379 4.178024 
1 1 1    8   43   12 o   25.501   2.0936   78.506   12.496   78.400   18.265   78.600   17.133   25.145   3.1448   25.257   2.9270 -0.1117058 4.296175 
1 1 1    8   43   13 o   37.027   3.6311  171.300   31.340   0.0000   0.0000  171.300   31.340  ?   ?    37.027   3.6311 0.000000 3.631083 
1 1 1    8   43   14 o   34.366   3.4379  147.100   27.524   0.0000   0.0000  147.100   27.524  ?   ?    34.366   3.4379 0.000000 3.437911 
1 1 1    8   43   15 o   21.551   2.8944   57.600   14.357   0.0000   0.0000   57.600   14.357  ?   ?    21.551   2.8944 0.000000 2.894365 
1 1 1    8   43   16 o   6.0595   2.1670   3.8000   3.9261   0.0000   0.0000   3.8000   3.9261  ?   ?    6.0595   2.1670 0.000000 2.166980 
1 1 1    8   43   17 o   19.644   2.7247   47.900   12.298   0.0000   0.0000   47.900   12.298  ?   ?    19.644   2.7247 0.000000 2.724667 
1 1 1    8   43   18 o   8.5512   2.4505   9.1000   5.2028   0.0000   0.0000   9.1000   5.2028  ?   ?    8.5512   2.4505 0.000000 2.450517 
1 1 1    8   43   19 o   34.797   3.5230  153.000   28.549   0.0000   0.0000  153.000   28.549  ?   ?    34.797   3.5230 0.000000 3.523027 
1 1 1    8   43   20 o   15.696   2.6807   30.900   9.5790   0.0000   0.0000   30.900   9.5790  ?   ?    15.696   2.6807 0.000000 2.680656 
1 1 1    8   43   21 o   14.779   2.7794   27.600   9.3438   0.0000   0.0000   27.600   9.3438  ?   ?    14.779   2.7794 0.000000 2.779355 
1 1 1    8   43   22 o   5.7330   2.3926   1.0000   5.3950   0.0000   0.0000   1.0000   5.3950  ?   ?    5.7330   2.3926 0.000000 2.392640 
1 1 1    8   43   23 o   12.723   2.9485   20.800   8.6851   0.0000   0.0000   20.800   8.6851  ?   ?    12.723   2.9485 0.000000 2.948466 
1 1 1    8   43   24 o   10.058   2.7203   12.900   6.6167   0.0000   0.0000   12.900   6.6167  ?   ?    10.058   2.7203 0.000000 2.720302 
1 1 1    8   43   25 o   8.5451   2.6060   9.1000   5.7363   0.0000   0.0000   9.1000   5.7363  ?   ?    8.5451   2.6060 0.000000 2.605975 
1 1 1    8   43   26 o   21.970   2.9651   61.600   14.989   0.0000   0.0000   61.600   14.989  ?   ?    21.970   2.9651 0.000000 2.965077 
1 1 1    8   43   27 o   38.007   4.0215  195.900   35.544   0.0000   0.0000  195.900   35.544  ?   ?    38.007   4.0215 0.000000 4.021500 
1 1 1    8   43   28 o   15.687   2.9873   32.500   10.661   0.0000   0.0000   32.500   10.661  ?   ?    15.687   2.9873 0.000000 2.987253 
1 1 1    8   43   29 f   7.9193   2.8232   7.4000   6.6591   0.0000   0.0000   7.4000   6.6591  ?   ?    7.9193   2.8232 0.000000 2.823216 
1 1 1    8   43   30 o   10.156   2.6628   13.800   6.4639   0.0000   0.0000   13.800   6.4639  ?   ?    10.156   2.6628 0.000000 2.662756 
1 1 1    8   43   31 o   24.092   3.1069   78.800   17.263   0.0000   0.0000   78.800   17.263  ?   ?    24.092   3.1069 0.000000 3.106885 
1 1 1    8   43   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   43   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   43   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   44    0 o   42.981   4.0088  229.300   39.873  229.300   39.873  229.300   39.873   42.981   4.0088   42.981   4.0088 0.000000 0.000000 
1 1 1    8   44    1 o   21.047   1.9147   53.354   9.4120   51.600   13.528   55.000   13.103   20.444   2.8823   21.178   2.6802 -0.7343826 3.935861 
1 1 1    8   44    2 o   51.594   3.0538  325.009   37.039  366.800   52.728  284.300   52.041   54.077   4.1612   47.167   4.7365 6.909676 6.304757 
1 1 1    8   44    3 o   32.288   2.3327  125.938   17.666  117.100   25.183  134.500   24.788   30.679   3.5412   33.045   3.2175 -2.365515 4.784620 
1 1 1    8   44    4 o   19.893   1.9009   47.709   8.8207   46.100   12.718   49.200   12.244   19.297   2.8791   20.013   2.6566 -0.7158966 3.917428 
1 1 1    8   44    5 f   43.019   2.5256  224.019   25.543  269.200   36.981  182.800   35.322   46.734   3.3738   38.147   3.9799 8.586617 5.217481 
1 1 1    8   44    6 o   4.0193   1.7626  -0.7694   3.2059   5.1000   6.2123  -2.9000   3.7428   7.3040   2.7084   3.8496   1.7745 3.454420 3.237986 
1 1 1    8   44    7 o   21.056   1.8984   53.441   9.3378   59.200   13.897   48.700   12.608   21.940   2.7423   19.864   2.7628 2.076475 3.892699 
1 1 1    8   44    8 o   23.362   1.9182   65.731   10.489   80.800   14.996   51.300   14.675   25.754   2.4973   20.258   3.1720 5.496237 4.037071 
1 1 1    8   44    9 o   9.7828   2.5097   12.000   5.8258   0.0000   0.0000   12.000   5.8258  ?   ?    9.7828   2.5097 0.000000 2.509651 
1 1 1    8   44   10 o   19.443   2.7179   46.700   12.138   0.0000   0.0000   46.700   12.138  ?   ?    19.443   2.7179 0.000000 2.717897 
1 1 1    8   44   11 o   28.080   3.0793   97.600   20.083   0.0000   0.0000   97.600   20.083  ?   ?    28.080   3.0793 0.000000 3.079312 
1 1 1    8   44   12 o   36.294   3.5772  165.100   30.259   0.0000   0.0000  165.100   30.259  ?   ?    36.294   3.5772 0.000000 3.577188 
1 1 1    8   44   13 o   3.9625   1.7520  -1.0000   3.2285   0.0000   0.0000  -1.0000   3.2285  ?   ?    3.9625   1.7520 0.000000 1.751980 
1 1 1    8   44   14 o   6.0403   2.2734   3.3000   4.4089   0.0000   0.0000   3.3000   4.4089  ?   ?    6.0403   2.2734 0.000000 2.273401 
1 1 1    8   44   15 o   29.078   3.2123  105.700   21.689   0.0000   0.0000  105.700   21.689  ?   ?    29.078   3.2123 0.000000 3.212281 
1 1 1    8   44   16 o   31.196   3.3348  122.200   24.185   0.0000   0.0000  122.200   24.185  ?   ?    31.196   3.3348 0.000000 3.334751 
1 1 1    8   44   17 o   9.0701   2.8204   10.100   6.6813   0.0000   0.0000   10.100   6.6813  ?   ?    9.0701   2.8204 0.000000 2.820421 
1 1 1    8   44   18 o   32.874   3.5020  136.700   26.766   0.0000   0.0000  136.700   26.766  ?   ?    32.874   3.5020 0.000000 3.501990 
1 1 1    8   44   19 o   8.4548   2.8628   8.3000   6.8035   0.0000   0.0000   8.3000   6.8035  ?   ?    8.4548   2.8628 0.000000 2.862825 
1 1 1    8   44   20 o   21.846   2.8171   59.600   14.194   0.0000   0.0000   59.600   14.194  ?   ?    21.846   2.8171 0.000000 2.817057 
1 1 1    8   44   21 o   26.519   3.1192   88.600   19.159   0.0000   0.0000   88.600   19.159  ?   ?    26.519   3.1192 0.000000 3.119220 
1 1 1    8   44   22 o   18.130   2.8983   41.600   11.990   0.0000   0.0000   41.600   11.990  ?   ?    18.130   2.8983 0.000000 2.898278 
1 1 1    8   44   23 o   35.172   3.6167  159.900   29.610   0.0000   0.0000  159.900   29.610  ?   ?    35.172   3.6167 0.000000 3.616710 
1 1 1    8   44   24 o   21.906   2.9382   61.100   14.816   0.0000   0.0000   61.100   14.816  ?   ?    21.906   2.9382 0.000000 2.938154 
1 1 1    8   44   25 f   24.624   3.1202   78.400   17.736   0.0000   0.0000   78.400   17.736  ?   ?    24.624   3.1202 0.000000 3.120233 
1 1 1    8   44   26 o   37.915   4.0522  198.300   35.717   0.0000   0.0000  198.300   35.717  ?   ?    37.915   4.0522 0.000000 4.052155 
1 1 1    8   44   27 o   30.429   3.4969  125.100   24.670   0.0000   0.0000  125.100   24.670  ?   ?    30.429   3.4969 0.000000 3.496908 
1 1 1    8   44   28 f   17.893   3.0161   42.900   12.291   0.0000   0.0000   42.900   12.291  ?   ?    17.893   3.0161 0.000000 3.016106 
1 1 1    8   44   29 o   7.4329   2.6280   6.6000   5.7589   0.0000   0.0000   6.6000   5.7589  ?   ?    7.4329   2.6280 0.000000 2.628043 
1 1 1    8   44   30 o   4.6770   2.1322  -2.6000   5.2065   0.0000   0.0000  -2.6000   5.2065  ?   ?    4.6770   2.1322 0.000000 2.132205 
1 1 1    8   44   31 o   8.7213   2.6283   10.200   5.8605   0.0000   0.0000   10.200   5.8605  ?   ?    8.7213   2.6283 0.000000 2.628341 
1 1 1    8   44   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   44   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   45    0 o   8.9880   3.9471   14.000   8.7595   14.000   8.7595   14.000   8.7595   8.9880   3.9471   8.9880   3.9471 0.000000 0.000000 
1 1 1    8   45    1 o   26.284   2.0154   83.277   12.414  122.200   17.964   47.700   17.174   31.739   2.4150   19.250   3.9116 12.48910 4.597018 
1 1 1    8   45    2 o   24.346   2.0387   71.552   11.612   46.000   16.108   99.200   16.756   18.958   3.7310   28.546   2.5113 -9.587547 4.497472 
1 1 1    8   45    3 o   22.451   3.0455   62.600   15.729   62.600   15.729   0.0000   0.0000   22.451   3.0455  ?   ?  0.000000 3.045508 
1 1 1    8   45    4 o   20.436   1.9726   50.493   9.4011   58.000   13.749   43.900   12.884   21.694   2.7453   18.747   3.0124 2.947250 4.075704 
1 1 1    8   45    5 o   9.4932   2.7497   11.200   6.5192   0.0000   0.0000   11.200   6.5192  ?   ?    9.4932   2.7497 0.000000 2.749657 
1 1 1    8   45    6 o   18.265   2.8251   41.500   11.791   0.0000   0.0000   41.500   11.791  ?   ?    18.265   2.8251 0.000000 2.825095 
1 1 1    8   45    7 o   8.4982   2.6095   8.8000   5.7397   0.0000   0.0000   8.8000   5.7397  ?   ?    8.4982   2.6095 0.000000 2.609458 
1 1 1    8   45    8 o   31.919   3.4039  127.400   25.260   0.0000   0.0000  127.400   25.260  ?   ?    31.919   3.4039 0.000000 3.403890 
1 1 1    8   45    9 o   16.637   2.7085   34.500   10.275   0.0000   0.0000   34.500   10.275  ?   ?    16.637   2.7085 0.000000 2.708458 
1 1 1    8   45   10 o   48.535   4.6264  306.400   52.380   0.0000   0.0000  306.400   52.380  ?   ?    48.535   4.6264 0.000000 4.626352 
1 1 1    8   45   11 o   33.636   3.5294  142.400   27.615   0.0000   0.0000  142.400   27.615  ?   ?    33.636   3.5294 0.000000 3.529370 
1 1 1    8   45   12 o   21.506   3.0277   57.900   14.950   0.0000   0.0000   57.900   14.950  ?   ?    21.506   3.0277 0.000000 3.027697 
1 1 1    8   45   13 o   10.902   2.8108   15.100   7.2823   0.0000   0.0000   15.100   7.2823  ?   ?    10.902   2.8108 0.000000 2.810754 
1 1 1    8   45   14 o   8.4336   2.9612   7.9000   7.3010   0.0000   0.0000   7.9000   7.3010  ?   ?    8.4336   2.9612 0.000000 2.961225 
1 1 1    8   45   15 o   42.779   4.1198  235.700   41.102   0.0000   0.0000  235.700   41.102  ?   ?    42.779   4.1198 0.000000 4.119810 
1 1 1    8   45   16 o   15.074   2.9081   28.800   9.9764   0.0000   0.0000   28.800   9.9764  ?   ?    15.074   2.9081 0.000000 2.908113 
1 1 1    8   45   17 o   16.052   2.6725   32.300   9.7736   0.0000   0.0000   32.300   9.7736  ?   ?    16.052   2.6725 0.000000 2.672513 
1 1 1    8   45   18 o   34.104   3.5508  148.000   28.176   0.0000   0.0000  148.000   28.176  ?   ?    34.104   3.5508 0.000000 3.550804 
1 1 1    8   45   19 f   25.850   3.0146   83.900   18.056   0.0000   0.0000   83.900   18.056  ?   ?    25.850   3.0146 0.000000 3.014583 
1 1 1    8   45   20 o   8.8188   2.6604   9.7000   6.0020   0.0000   0.0000   9.7000   6.0020  ?   ?    8.8188   2.6604 0.000000 2.660364 
1 1 1    8   45   21 o   34.455   3.6953  154.200   29.596   0.0000   0.0000  154.200   29.596  ?   ?    34.455   3.6953 0.000000 3.695349 
1 1 1    8   45   22 o   37.190   3.8757  182.800   33.536   0.0000   0.0000  182.800   33.536  ?   ?    37.190   3.8757 0.000000 3.875747 
1 1 1    8   45   23 o   19.089   2.7881   46.600   12.197   0.0000   0.0000   46.600   12.197  ?   ?    19.089   2.7881 0.000000 2.788120 
1 1 1    8   45   24 o   6.9162   2.4747   5.3000   5.1208   0.0000   0.0000   5.3000   5.1208  ?   ?    6.9162   2.4747 0.000000 2.474662 
1 1 1    8   45   25 o   2.5323   1.2784 -11.8000   3.6343   0.0000   0.0000 -11.8000   3.6343  ?   ?    2.5323   1.2784 0.000000 1.278413 
1 1 1    8   45   26 f   15.601   3.0551   32.800   10.852   0.0000   0.0000   32.800   10.852  ?   ?    15.601   3.0551 0.000000 3.055115 
1 1 1    8   45   27 o   10.433   3.1326   14.900   8.3364   0.0000   0.0000   14.900   8.3364  ?   ?    10.433   3.1326 0.000000 3.132603 
1 1 1    8   45   28 o   10.009   2.9559   13.700   7.4692   0.0000   0.0000   13.700   7.4692  ?   ?    10.009   2.9559 0.000000 2.955916 
1 1 1    8   45   29 o   9.0591   2.9928   11.000   7.4412   0.0000   0.0000   11.000   7.4412  ?   ?    9.0591   2.9928 0.000000 2.992815 
1 1 1    8   45   30 o   14.748   3.0822   30.200   10.388   0.0000   0.0000   30.200   10.388  ?   ?    14.748   3.0822 0.000000 3.082214 
1 1 1    8   45   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   46    3 o   27.248   3.1097   92.400   19.650   0.0000   0.0000   92.400   19.650  ?   ?    27.248   3.1097 0.000000 3.109719 
1 1 1    8   46    4 o   34.562   3.5886  150.400   28.860   0.0000   0.0000  150.400   28.860  ?   ?    34.562   3.5886 0.000000 3.588584 
1 1 1    8   46    5 o   24.982   3.0732   77.800   17.747   0.0000   0.0000   77.800   17.747  ?   ?    24.982   3.0732 0.000000 3.073153 
1 1 1    8   46    6 o   30.238   3.3719  114.700   23.666   0.0000   0.0000  114.700   23.666  ?   ?    30.238   3.3719 0.000000 3.371869 
1 1 1    8   46    7 o   16.515   2.6593   34.000   10.019   0.0000   0.0000   34.000   10.019  ?   ?    16.515   2.6593 0.000000 2.659284 
1 1 1    8   46    8 o   39.668   3.9405  200.700   36.423   0.0000   0.0000  200.700   36.423  ?   ?    39.668   3.9405 0.000000 3.940520 
1 1 1    8   46    9 o   44.040   4.2505  250.100   43.654   0.0000   0.0000  250.100   43.654  ?   ?    44.040   4.2505 0.000000 4.250531 
1 1 1    8   46   10 o   40.495   4.0391  210.200   38.108   0.0000   0.0000  210.200   38.108  ?   ?    40.495   4.0391 0.000000 4.039057 
1 1 1    8   46   11 o   42.168   4.1381  228.800   40.674   0.0000   0.0000  228.800   40.674  ?   ?    42.168   4.1381 0.000000 4.138094 
1 1 1    8   46   12 o   33.859   3.5314  144.800   27.820   0.0000   0.0000  144.800   27.820  ?   ?    33.859   3.5314 0.000000 3.531446 
1 1 1    8   46   13 o   33.142   3.5107  138.900   27.057   0.0000   0.0000  138.900   27.057  ?   ?    33.142   3.5107 0.000000 3.510672 
1 1 1    8   46   14 o   6.9237   2.4663   5.1000   5.0807   0.0000   0.0000   5.1000   5.0807  ?   ?    6.9237   2.4663 0.000000 2.466269 
1 1 1    8   46   15 o   16.605   2.9858   35.000   11.277   0.0000   0.0000   35.000   11.277  ?   ?    16.605   2.9858 0.000000 2.985843 
1 1 1    8   46   16 o   5.1335   2.1301   0.9000   4.2410   0.0000   0.0000   0.9000   4.2410  ?   ?    5.1335   2.1301 0.000000 2.130103 
1 1 1    8   46   17 o   23.289   2.9574   68.200   15.897   0.0000   0.0000   68.200   15.897  ?   ?    23.289   2.9574 0.000000 2.957384 
1 1 1    8   46   18 o   30.765   3.4234  121.200   24.448   0.0000   0.0000  121.200   24.448  ?   ?    30.765   3.4234 0.000000 3.423414 
1 1 1    8   46   19 o   17.190   2.8203   37.600   11.051   0.0000   0.0000   37.600   11.051  ?   ?    17.190   2.8203 0.000000 2.820304 
1 1 1    8   46   20 o   13.625   3.0618   24.300   9.6107   0.0000   0.0000   24.300   9.6107  ?   ?    13.625   3.0618 0.000000 3.061756 
1 1 1    8   46   21 o   7.0497   2.6896   4.7000   6.2227   0.0000   0.0000   4.7000   6.2227  ?   ?    7.0497   2.6896 0.000000 2.689583 
1 1 1    8   46   22 o   13.511   2.6579   23.700   8.1774   0.0000   0.0000   23.700   8.1774  ?   ?    13.511   2.6579 0.000000 2.657877 
1 1 1    8   46   23 o   6.2047   2.3904   3.5000   4.9466   0.0000   0.0000   3.5000   4.9466  ?   ?    6.2047   2.3904 0.000000 2.390441 
1 1 1    8   46   24 o   10.992   3.0453   16.400   8.1766   0.0000   0.0000   16.400   8.1766  ?   ?    10.992   3.0453 0.000000 3.045310 
1 1 1    8   46   25 o   18.908   3.0686   48.100   13.231   0.0000   0.0000   48.100   13.231  ?   ?    18.908   3.0686 0.000000 3.068552 
1 1 1    8   46   26 o   7.1061   2.7373   5.1000   6.4854   0.0000   0.0000   5.1000   6.4854  ?   ?    7.1061   2.7373 0.000000 2.737296 
1 1 1    8   46   27 o   18.107   3.1100   45.000   12.818   0.0000   0.0000   45.000   12.818  ?   ?    18.107   3.1100 0.000000 3.109997 
1 1 1    8   46   28 o   22.484   3.2151   69.700   16.584   0.0000   0.0000   69.700   16.584  ?   ?    22.484   3.2151 0.000000 3.215055 
1 1 1    8   46   29 o   8.2923   3.0075   8.6000   7.5936   0.0000   0.0000   8.6000   7.5936  ?   ?    8.2923   3.0075 0.000000 3.007483 
1 1 1    8   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   48   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   49   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   50   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   51   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   52   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    8   53    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0    1 o  203.892   10.874  4963.19  520.138  4963.19  520.138  4963.19  520.138  203.892   10.874  203.892   10.874 0.000000 0.000000 
1 1 1    9    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0    3 o  254.049   13.272  7713.30  791.234  7713.30  791.234  7713.30  791.234  254.049   13.272  254.049   13.272 0.000000 0.000000 
1 1 1    9    0    4 o  291.952   15.579 10206.31  1067.00 10206.31  1067.00 10206.31  1067.00  291.952   15.579  291.952   15.579 0.000000 0.000000 
1 1 1    9    0    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0    6 o  137.792   7.3629  2263.83  238.010  2263.83  238.010  2263.83  238.010  137.792   7.3629  137.792   7.3629 -0.000000 0.000000 
1 1 1    9    0    7 o  117.562   6.4264  1648.08  177.181  1648.08  177.181  1648.08  177.181  117.562   6.4264  117.562   6.4264 0.000000 0.000000 
1 1 1    9    0    8 o   68.853   3.9401  565.431   63.581  565.431   63.581  565.431   63.581   68.853   3.9401   68.853   3.9401 -0.000000 0.000000 
1 1 1    9    0    9 o  240.721   12.858  6931.50  726.121  6931.50  726.121  6931.50  726.121  240.721   12.858  240.721   12.858 -0.000000 0.000000 
1 1 1    9    0   10 o  319.016   24.757 12449.90  1839.17 12449.90  1839.17 12449.90  1839.17  319.016   24.757  319.016   24.757 0.000000 0.000000 
1 1 1    9    0   11 o  126.688   6.9103  1914.86  205.319  1914.86  205.319  1914.86  205.319  126.688   6.9103  126.688   6.9103 -0.000000 0.000000 
1 1 1    9    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    0   13 o  178.939   9.6527  3828.18  405.153  3828.18  405.153  3828.18  405.153  178.939   9.6527  178.939   9.6527 -0.000000 0.000000 
1 1 1    9    0   14 o  115.156   6.2976  1582.61  170.076  1582.61  170.076  1582.61  170.076  115.156   6.2976  115.156   6.2976 -0.000000 0.000000 
1 1 1    9    0   15 o  376.575   30.067 17852.30  2634.42 17852.30  2634.42 17852.30  2634.42  376.575   30.067  376.575   30.067 -0.000000 0.000000 
1 1 1    9    0   16 f  160.708   8.6897  3089.74  327.563  3089.74  327.563  3089.74  327.563  160.708   8.6897  160.708   8.6897 -0.000000 0.000000 
1 1 1    9    0   17 o  112.267   6.1131  1504.93  160.961  1504.93  160.961  1504.93  160.961  112.267   6.1131  112.267   6.1131 0.000000 0.000000 
1 1 1    9    0   18 o  111.802   8.7981  1510.90  228.965  1510.90  228.965  1510.90  228.965  111.802   8.7981  111.802   8.7981 0.000000 0.000000 
1 1 1    9    0   19 o  277.799   21.986  9611.30  1421.47  9611.30  1421.47  9611.30  1421.47  277.799   21.986  277.799   21.986 0.000000 0.000000 
1 1 1    9    0   20 o  135.140   10.568  2214.70  332.482  2214.70  332.482  2214.70  332.482  135.140   10.568  135.140   10.568 0.000000 0.000000 
1 1 1    9    0   21 o   22.281   2.8134   61.400   14.161   61.400   14.161   61.400   14.161   22.281   2.8134   22.281   2.8134 0.000000 0.000000 
1 1 1    9    0   22 o  181.633   14.198  4034.80  600.406  4034.80  600.406  4034.80  600.406  181.633   14.198  181.633   14.198 0.000000 0.000000 
1 1 1    9    0   23 o  171.019   13.370  3572.40  532.321  3572.40  532.321  3572.40  532.321  171.019   13.370  171.019   13.370 -0.000000 0.000000 
1 1 1    9    0   24 o  101.561   8.0504  1248.40  190.277  1248.40  190.277  1248.40  190.277  101.561   8.0504  101.561   8.0504 -0.000000 0.000000 
1 1 1    9    0   25 o   10.772   2.8629   16.300   6.2921   16.300   6.2921   16.300   6.2921   10.772   2.8629   10.772   2.8629 -0.000000 0.000000 
1 1 1    9    0   26 o  135.623   10.650  2241.10  336.233  2241.10  336.233  2241.10  336.233  135.623   10.650  135.623   10.650 0.000000 0.000000 
1 1 1    9    0   27 o  208.418   16.580  5418.40  804.085  5418.40  804.085  5418.40  804.085  208.418   16.580  208.418   16.580 -0.000000 0.000000 
1 1 1    9    0   28 o  157.300   12.435  3049.60  455.238  3049.60  455.238  3049.60  455.238  157.300   12.435  157.300   12.435 0.000000 0.000000 
1 1 1    9    0   29 o   84.442   6.8146  866.000  133.845  866.000  133.845  866.000  133.845   84.442   6.8146   84.442   6.8146 -0.000000 0.000000 
1 1 1    9    0   30 o   14.131   2.7957   26.200   8.2918   26.200   8.2918   26.200   8.2918   14.131   2.7957   14.131   2.7957 0.000000 0.000000 
1 1 1    9    0   31 o  184.167   15.141  4359.30  648.218  4359.30  648.218  4359.30  648.218  184.167   15.141  184.167   15.141 0.000000 0.000000 
1 1 1    9    0   32 o   35.346   3.4470  152.300   28.143  152.300   28.143  152.300   28.143   35.346   3.4470   35.346   3.4470 0.000000 0.000000 
1 1 1    9    0   33 o   51.940   4.5075  328.400   54.327  328.400   54.327  328.400   54.327   51.940   4.5075   51.940   4.5075 0.000000 0.000000 
1 1 1    9    0   34 o   86.689   7.0832  927.100  142.769  927.100  142.769  927.100  142.769   86.689   7.0832   86.689   7.0832 0.000000 0.000000 
1 1 1    9    0   35 o   9.4163   2.9040   13.100   5.6499   13.100   5.6499   13.100   5.6499   9.4163   2.9040   9.4163   2.9040 0.000000 0.000000 
1 1 1    9    0   36 o   92.868   7.6331  1075.50  164.787  1075.50  164.787  1075.50  164.787   92.868   7.6331   92.868   7.6331 0.000000 0.000000 
1 1 1    9    0   37 o   60.675   5.1626  452.000   72.734  452.000   72.734  452.000   72.734   60.675   5.1626   60.675   5.1626 0.000000 0.000000 
1 1 1    9    0   38 o   33.916   3.4000  141.100   26.602  141.100   26.602  141.100   26.602   33.916   3.4000   33.916   3.4000 0.000000 0.000000 
1 1 1    9    0   39 o   63.561   5.4263  500.900   80.078  500.900   80.078  500.900   80.078   63.561   5.4263   63.561   5.4263 0.000000 0.000000 
1 1 1    9    0   40 o   28.864   3.1332  102.900   20.718  102.900   20.718  102.900   20.718   28.864   3.1332   28.864   3.1332 0.000000 0.000000 
1 1 1    9    0   41 o   15.887   2.8419   32.800   9.6454   32.800   9.6454   32.800   9.6454   15.887   2.8419   15.887   2.8419 -0.000000 0.000000 
1 1 1    9    0   42 o   5.3922   2.6094   5.1000   3.8734   5.1000   3.8734   5.1000   3.8734   5.3922   2.6094   5.3922   2.6094 0.000000 0.000000 
1 1 1    9    0   43 o   39.164   3.8233  191.000   34.584  191.000   34.584  191.000   34.584   39.164   3.8233   39.164   3.8233 -0.000000 0.000000 
1 1 1    9    0   44 f   36.619   3.6402  167.000   30.764  167.000   30.764  167.000   30.764   36.619   3.6402   36.619   3.6402 0.000000 0.000000 
1 1 1    9    0   45 o   15.974   3.0957   33.800   10.416   33.800   10.416   33.800   10.416   15.974   3.0957   15.974   3.0957 0.000000 0.000000 
1 1 1    9    0   46 o   81.266   7.4444  898.200  140.100  898.200  140.100  898.200  140.100   81.266   7.4444   81.266   7.4444 0.000000 0.000000 
1 1 1    9    0   47 o   3.5902   2.2002   1.3000   3.5772   1.3000   3.5772   1.3000   3.5772   3.5902   2.2002   3.5902   2.2002 0.000000 0.000000 
1 1 1    9    0   48 o   33.753   3.5561  144.200   27.623  144.200   27.623  144.200   27.623   33.753   3.5561   33.753   3.5561 -0.000000 0.000000 
1 1 1    9    0   49 o   13.015   3.2604   24.000   8.6677   24.000   8.6677   24.000   8.6677   13.015   3.2604   13.015   3.2604 -0.000000 0.000000 
1 1 1    9    0   50 o   6.1094   3.2253   6.7000   6.2105   6.7000   6.2105   6.7000   6.2105   6.1094   3.2253   6.1094   3.2253 0.000000 0.000000 
1 1 1    9    0   51 o   4.4747   2.6098   3.0000   4.5722   3.0000   4.5722   3.0000   4.5722   4.4747   2.6098   4.4747   2.6098 0.000000 0.000000 
1 1 1    9    0   52 o   27.216   3.2612   95.600   20.163   95.600   20.163   95.600   20.163   27.216   3.2612   27.216   3.2612 -0.000000 0.000000 
1 1 1    9    0   53 o   15.482   3.4262   33.800   10.953   33.800   10.953   33.800   10.953   15.482   3.4262   15.482   3.4262 -0.000000 0.000000 
1 1 1    9    0   54 o   10.042   3.7084   17.200   8.1492   17.200   8.1492   17.200   8.1492   10.042   3.7084   10.042   3.7084 0.000000 0.000000 
1 1 1    9    0   55 o   19.423   3.2022   52.400   13.487   52.400   13.487   52.400   13.487   19.423   3.2022   19.423   3.2022 -0.000000 0.000000 
1 1 1    9    0   56 o   8.0016   3.1483   11.300   5.7086   11.300   5.7086   11.300   5.7086   8.0016   3.1483   8.0016   3.1483 -0.000000 0.000000 
1 1 1    9    0   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1    0 o  144.361   11.170  2511.30  375.536  2511.30  375.536  2511.30  375.536  144.361   11.170  144.361   11.170 0.000000 0.000000 
1 1 1    9    1    1 o  114.648   6.1684  1559.10  166.379  1584.70  235.315  1533.50  235.277  115.328   8.7049  113.421   8.8548 1.906990 12.41709 
1 1 1    9    1    2 o  146.562   7.8161  2550.50  269.529  2397.00  381.168  2704.00  381.176  141.594   11.499  150.549   10.794 -8.954788 15.77165 
1 1 1    9    1    3 o  286.418   14.810  9810.18  998.196 10977.20  1412.65  8646.40  1410.68  301.503   19.955  266.559   22.625 34.94345 30.16771 
1 1 1    9    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    1    5 o  415.793   32.774 21579.50  3191.82 21579.50  3191.82   0.0000   0.0000  415.793   32.774  ?   ?  0.000000 32.77432 
1 1 1    9    1    6 o  297.942   15.860 10640.13  1111.81 10927.00  1572.25 10353.20  1572.42  299.755   22.374  291.483   23.033 8.271729 32.11042 
1 1 1    9    1    7 o  159.421   8.4907  3020.25  318.479  3017.40  450.313  3023.10  450.482  158.818   12.099  158.970   12.091 -0.1521454 17.10470 
1 1 1    9    1    8 o  209.188   11.073  5214.80  545.005  5099.40  770.578  5330.30  770.929  205.824   15.980  210.548   15.617 -4.723221 22.34418 
1 1 1    9    1    9 o  147.801   7.9545  2595.89  276.599  2673.20  390.951  2518.40  391.389  149.538   11.152  145.057   11.521 4.480453 16.03437 
1 1 1    9    1   10 o  340.024   26.492 14311.30  2110.32 14311.30  2110.32   0.0000   0.0000  340.024   26.492  ?   ?  0.000000 26.49214 
1 1 1    9    1   11 o  298.220   14.715 10655.56  1036.27  9555.30  1461.49 11768.00  1469.56  278.953   22.375  310.843   20.129 -31.89001 30.09713 
1 1 1    9    1   12 o  365.226   29.054 16854.50  2485.01 16854.50  2485.01   0.0000   0.0000  365.226   29.054  ?   ?  0.000000 29.05428 
1 1 1    9    1   13 o  180.499   9.7051  3888.62  412.137  4046.00  582.624  3731.00  583.076  183.200   13.564  175.718   14.173 7.481888 19.61781 
1 1 1    9    1   14 o  175.728   9.6572  3689.30  399.193  3910.10  563.783  3467.30  565.308  179.981   13.361  169.157   14.286 10.82388 19.56034 
1 1 1    9    1   15 o  390.700   32.521 20171.10  2973.09 20171.10  2973.09   0.0000   0.0000  390.700   32.521  ?   ?  0.000000 32.52111 
1 1 1    9    1   16 o  213.627   11.459  5488.77  575.916  6151.80  814.454  4825.70  814.481  224.552   15.454  197.788   17.623 26.76370 23.43953 
1 1 1    9    1   17 o  108.598   5.8918  1402.91  150.523  1470.80  212.858  1335.00  212.886  110.825   8.1918  105.474   8.6229 5.350685 11.89367 
1 1 1    9    1   18 o  123.912   6.9015  1830.63  201.138  1995.20  284.171  1665.40  284.735  128.860   9.4039  117.437   10.374 11.42257 14.00221 
1 1 1    9    1   19 o  174.194   13.495  3703.40  550.779  3703.40  550.779   0.0000   0.0000  174.194   13.495  ?   ?  0.000000 13.49535 
1 1 1    9    1   20 o   42.071   3.7430  211.100   36.796  211.100   36.796   0.0000   0.0000   42.071   3.7430  ?   ?  0.000000 3.742994 
1 1 1    9    1   21 o  145.203   11.239  2557.80  382.363  2557.80  382.363   0.0000   0.0000  145.203   11.239  ?   ?  0.000000 11.23917 
1 1 1    9    1   22 o  114.492   8.8849  1578.70  238.328  1578.70  238.328   0.0000   0.0000  114.492   8.8849  ?   ?  0.000000 8.884931 
1 1 1    9    1   23 o   63.919   5.2011  488.000   77.822  488.000   77.822   0.0000   0.0000   63.919   5.2011  ?   ?  0.000000 5.201053 
1 1 1    9    1   24 o  140.965   10.947  2416.50  361.548  2416.50  361.548   0.0000   0.0000  140.965   10.947  ?   ?  0.000000 10.94744 
1 1 1    9    1   25 o  198.654   15.741  4937.90  732.368  4937.90  732.368   0.0000   0.0000  198.654   15.741  ?   ?  0.000000 15.74127 
1 1 1    9    1   26 o  164.592   12.937  3348.50  498.758  3348.50  498.758   0.0000   0.0000  164.592   12.937  ?   ?  0.000000 12.93699 
1 1 1    9    1   27 o  101.988   8.0072  1257.60  191.288  1257.60  191.288   0.0000   0.0000  101.988   8.0072  ?   ?  0.000000 8.007201 
1 1 1    9    1   28 o   31.313   3.1325  117.300   22.851  117.300   22.851   0.0000   0.0000   31.313   3.1325  ?   ?  0.000000 3.132497 
1 1 1    9    1   29 o   66.754   5.4328  535.900   84.893  535.900   84.893   0.0000   0.0000   66.754   5.4328  ?   ?  0.000000 5.432773 
1 1 1    9    1   30 o   43.105   3.8276  222.700   38.554  222.700   38.554   0.0000   0.0000   43.105   3.8276  ?   ?  0.000000 3.827579 
1 1 1    9    1   31 o   51.373   4.3809  317.500   52.636  317.500   52.636   0.0000   0.0000   51.373   4.3809  ?   ?  0.000000 4.380866 
1 1 1    9    1   32 o   57.183   4.7950  395.300   64.150  395.300   64.150   0.0000   0.0000   57.183   4.7950  ?   ?  0.000000 4.795021 
1 1 1    9    1   33 o   97.534   7.9468  1191.80  181.433  1191.80  181.433   0.0000   0.0000   97.534   7.9468  ?   ?  0.000000 7.946802 
1 1 1    9    1   34 o   29.978   3.0554  108.200   21.327  108.200   21.327   0.0000   0.0000   29.978   3.0554  ?   ?  0.000000 3.055449 
1 1 1    9    1   35 o   69.043   5.7236  587.400   92.474  587.400   92.474   0.0000   0.0000   69.043   5.7236  ?   ?  0.000000 5.723633 
1 1 1    9    1   36 o   29.327   3.0321  103.800   20.695  103.800   20.695   0.0000   0.0000   29.327   3.0321  ?   ?  0.000000 3.032081 
1 1 1    9    1   37 o   49.294   4.3006  296.500   49.558  296.500   49.558   0.0000   0.0000   49.294   4.3006  ?   ?  0.000000 4.300603 
1 1 1    9    1   38 o   36.158   3.4357  158.700   28.982  158.700   28.982   0.0000   0.0000   36.158   3.4357  ?   ?  0.000000 3.435701 
1 1 1    9    1   39 o   43.079   3.9128  227.500   39.370  227.500   39.370   0.0000   0.0000   43.079   3.9128  ?   ?  0.000000 3.912850 
1 1 1    9    1   40 o   45.164   4.0877  252.400   43.122  252.400   43.122   0.0000   0.0000   45.164   4.0877  ?   ?  0.000000 4.087665 
1 1 1    9    1   41 o   66.793   5.8993  583.800   92.088  583.800   92.088   0.0000   0.0000   66.793   5.8993  ?   ?  0.000000 5.899290 
1 1 1    9    1   42 o   12.781   2.4510   20.300   7.1279   20.300   7.1279   0.0000   0.0000   12.781   2.4510  ?   ?  0.000000 2.450969 
1 1 1    9    1   43 o   17.593   2.5869   38.200   10.426   38.200   10.426   0.0000   0.0000   17.593   2.5869  ?   ?  0.000000 2.586899 
1 1 1    9    1   44 o   16.684   2.5258   34.400   9.6392   34.400   9.6392   0.0000   0.0000   16.684   2.5258  ?   ?  0.000000 2.525791 
1 1 1    9    1   45 o   21.169   2.7238   55.400   13.300   55.400   13.300   0.0000   0.0000   21.169   2.7238  ?   ?  0.000000 2.723845 
1 1 1    9    1   46 o   22.022   2.7838   60.200   14.153   60.200   14.153   0.0000   0.0000   22.022   2.7838  ?   ?  0.000000 2.783836 
1 1 1    9    1   47 o   28.302   3.0865  100.600   20.293  100.600   20.293   0.0000   0.0000   28.302   3.0865  ?   ?  0.000000 3.086529 
1 1 1    9    1   48 o   23.878   2.9131   71.900   16.085   71.900   16.085   0.0000   0.0000   23.878   2.9131  ?   ?  0.000000 2.913127 
1 1 1    9    1   49 o   20.286   2.7673   52.200   12.911   52.200   12.911   0.0000   0.0000   20.286   2.7673  ?   ?  0.000000 2.767327 
1 1 1    9    1   50 o   11.340   2.5624   16.600   6.6996   16.600   6.6996   0.0000   0.0000   11.340   2.5624  ?   ?  0.000000 2.562353 
1 1 1    9    1   51 o   15.097   2.6451   29.300   9.0862   29.300   9.0862   0.0000   0.0000   15.097   2.6451  ?   ?  0.000000 2.645120 
1 1 1    9    1   52 o   32.402   3.5529  141.100   26.738  141.100   26.738   0.0000   0.0000   32.402   3.5529  ?   ?  0.000000 3.552867 
1 1 1    9    1   53 o   8.0439   2.3537   8.4000   4.7551   8.4000   4.7551   0.0000   0.0000   8.0439   2.3537  ?   ?  0.000000 2.353682 
1 1 1    9    1   54 o   14.385   2.6998   28.200   8.8339   28.200   8.8339   0.0000   0.0000   14.385   2.6998  ?   ?  0.000000 2.699799 
1 1 1    9    1   55 o   9.1339   2.6451   11.800   6.0333   11.800   6.0333   0.0000   0.0000   9.1339   2.6451  ?   ?  0.000000 2.645096 
1 1 1    9    1   56 o   12.133   2.7918   21.500   7.8324   21.500   7.8324   0.0000   0.0000   12.133   2.7918  ?   ?  0.000000 2.791806 
1 1 1    9    1   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    2    0 o  207.808   15.988  5217.90  773.884  5217.90  773.884  5217.90  773.884  207.808   15.988  207.808   15.988 -0.000000 0.000000 
1 1 1    9    2    1 o  300.798   16.110 10840.54  1140.11 11006.00  1610.23 10674.20  1614.51  300.910   22.832  296.149   23.275 4.760895 32.60353 
1 1 1    9    2    2 o  326.693   17.021 12804.03  1308.54 12353.30  1846.23 13259.00  1854.90  318.076   24.776  329.932   23.972 -11.85583 34.47508 
1 1 1    9    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    2    5 o  167.573   8.6533  3336.28  341.243  3865.80  482.760  2807.50  482.420  180.024   11.415  152.950   13.496 27.07455 17.67601 
1 1 1    9    2    6 f  204.679   10.854  4989.08  522.736  4935.70  739.145  5042.50  739.375  202.663   15.564  204.894   15.394 -2.230728 21.89118 
1 1 1    9    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    2    8 o  276.705   14.655  9169.68  954.147  8918.00  1349.06  9421.60  1349.68  270.762   21.271  278.570   20.665 -7.808289 29.65661 
1 1 1    9    2    9 o  415.437   32.978 21755.50  3208.49 21755.50  3208.49   0.0000   0.0000  415.437   32.978  ?   ?  0.000000 32.97763 
1 1 1    9    2   10 o   45.998   2.7663  250.829   29.907  266.600   42.323  235.100   42.266   47.344   3.8182   44.414   4.0755 2.929928 5.584690 
1 1 1    9    2   11 o  222.299   11.348  5901.68  593.725  5370.40  838.732  6435.30  840.578  210.519   17.018  231.048   15.497 -20.52910 23.01615 
1 1 1    9    2   12 o   64.179   3.6606  488.409   55.247  508.700   78.113  468.100   78.149   65.376   5.1003   62.671   5.3314 2.704948 7.378150 
1 1 1    9    2   13 o  112.452   6.0458  1502.07  159.952  1476.60  226.062  1527.60  226.351  111.136   8.6831  113.073   8.5404 -1.936699 12.17923 
1 1 1    9    2   14 o  254.698   13.922  7825.12  834.148  8195.50  1178.20  7452.90  1181.13  258.102   19.475  245.501   20.564 12.60120 28.32209 
1 1 1    9    2   15 o  150.275   7.9306  2691.95  280.422  2885.00  396.836  2499.40  396.319  154.941   10.916  143.952   11.762 10.98825 16.04688 
1 1 1    9    2   16 o  181.872   9.9214  3963.70  424.479  4116.50  599.435  3810.00  601.178  184.076   13.893  176.820   14.527 7.256210 20.10067 
1 1 1    9    2   17 o  213.167   11.571  5475.97  580.248  5908.50  820.383  5043.00  820.807  219.496   15.937  201.985   17.378 17.51015 23.57938 
1 1 1    9    2   18 o  137.914   7.3973  2269.53  240.025  2513.70  339.459  2025.40  339.433  144.553   10.006  129.359   11.223 15.19424 15.03631 
1 1 1    9    2   19 o  115.044   6.2293  1576.61  168.595  1697.10  238.421  1456.10  238.438  118.920   8.5474  109.945   9.2707 8.975616 12.60962 
1 1 1    9    2   20 o  137.387   7.4574  2255.41  241.026  2292.80  340.369  2217.80  341.359  137.714   10.547  135.364   10.768 2.350845 15.07298 
1 1 1    9    2   21 o  161.704   12.544  3188.80  475.229  3188.80  475.229   0.0000   0.0000  161.704   12.544  ?   ?  0.000000 12.54392 
1 1 1    9    2   22 o  142.174   11.011  2452.40  366.794  2452.40  366.794   0.0000   0.0000  142.174   11.011  ?   ?  0.000000 11.01137 
1 1 1    9    2   23 o  112.631   8.7539  1528.20  230.992  1528.20  230.992   0.0000   0.0000  112.631   8.7539  ?   ?  0.000000 8.753900 
1 1 1    9    2   24 o   57.824   4.7867  399.300   64.772  399.300   64.772   0.0000   0.0000   57.824   4.7867  ?   ?  0.000000 4.786706 
1 1 1    9    2   25 o   77.211   6.1458  714.100  111.124  714.100  111.124   0.0000   0.0000   77.211   6.1458  ?   ?  0.000000 6.145792 
1 1 1    9    2   26 o   52.348   4.4171  327.400   54.091  327.400   54.091   0.0000   0.0000   52.348   4.4171  ?   ?  0.000000 4.417104 
1 1 1    9    2   27 o   38.599   3.5336  178.000   31.850  178.000   31.850   0.0000   0.0000   38.599   3.5336  ?   ?  0.000000 3.533640 
1 1 1    9    2   28 o   94.904   7.4891  1090.10  166.469  1090.10  166.469   0.0000   0.0000   94.904   7.4891  ?   ?  0.000000 7.489109 
1 1 1    9    2   29 o   31.978   3.1579  122.400   23.534  122.400   23.534   0.0000   0.0000   31.978   3.1579  ?   ?  0.000000 3.157892 
1 1 1    9    2   30 o   53.103   4.4887  338.700   55.759  338.700   55.759   0.0000   0.0000   53.103   4.4887  ?   ?  0.000000 4.488701 
1 1 1    9    2   31 o   82.422   6.6372  829.000  128.084  829.000  128.084   0.0000   0.0000   82.422   6.6372  ?   ?  0.000000 6.637241 
1 1 1    9    2   32 o   27.930   2.9381   93.700   19.087   93.700   19.087   0.0000   0.0000   27.930   2.9381  ?   ?  0.000000 2.938104 
1 1 1    9    2   33 o  104.075   8.5116  1368.00  207.350  1368.00  207.350   0.0000   0.0000  104.075   8.5116  ?   ?  0.000000 8.511621 
1 1 1    9    2   34 o   51.170   4.3993  317.500   52.640  317.500   52.640   0.0000   0.0000   51.170   4.3993  ?   ?  0.000000 4.399265 
1 1 1    9    2   35 o   16.381   2.4658   32.600   9.2424   32.600   9.2424   0.0000   0.0000   16.381   2.4658  ?   ?  0.000000 2.465824 
1 1 1    9    2   36 o   75.899   6.3004  719.000  111.897  719.000  111.897   0.0000   0.0000   75.899   6.3004  ?   ?  0.000000 6.300354 
1 1 1    9    2   37 o   43.481   3.9013  229.800   39.630  229.800   39.630   0.0000   0.0000   43.481   3.9013  ?   ?  0.000000 3.901325 
1 1 1    9    2   38 o   60.605   5.1640  455.700   73.197  455.700   73.197   0.0000   0.0000   60.605   5.1640  ?   ?  0.000000 5.163996 
1 1 1    9    2   39 o   8.8545   2.3118   9.7000   4.8857   9.7000   4.8857   0.0000   0.0000   8.8545   2.3118  ?   ?  0.000000 2.311764 
1 1 1    9    2   40 o   65.979   5.7277  558.400   88.353  558.400   88.353   0.0000   0.0000   65.979   5.7277  ?   ?  0.000000 5.727708 
1 1 1    9    2   41 o   28.224   3.0236   97.600   19.837   97.600   19.837   0.0000   0.0000   28.224   3.0236  ?   ?  0.000000 3.023550 
1 1 1    9    2   42 o   58.216   5.1990  439.100   70.718  439.100   70.718   0.0000   0.0000   58.216   5.1990  ?   ?  0.000000 5.199015 
1 1 1    9    2   43 o   25.565   2.8814   80.500   17.091   80.500   17.091   0.0000   0.0000   25.565   2.8814  ?   ?  0.000000 2.881392 
1 1 1    9    2   44 o   28.901   3.0811  103.400   20.704  103.400   20.704   0.0000   0.0000   28.901   3.0811  ?   ?  0.000000 3.081146 
1 1 1    9    2   45 o   37.893   3.6605  180.700   32.346  180.700   32.346   0.0000   0.0000   37.893   3.6605  ?   ?  0.000000 3.660547 
1 1 1    9    2   46 f   43.666   4.1472  245.300   42.249  245.300   42.249   0.0000   0.0000   43.666   4.1472  ?   ?  0.000000 4.147200 
1 1 1    9    2   47 o   17.775   2.5758   39.400   10.497   39.400   10.497   0.0000   0.0000   17.775   2.5758  ?   ?  0.000000 2.575752 
1 1 1    9    2   48 o   12.874   2.5124   21.000   7.3634   21.000   7.3634   0.0000   0.0000   12.874   2.5124  ?   ?  0.000000 2.512396 
1 1 1    9    2   49 o   37.319   3.8088  184.000   33.094  184.000   33.094   0.0000   0.0000   37.319   3.8088  ?   ?  0.000000 3.808842 
1 1 1    9    2   50 o   8.4076   2.3648   9.0000   4.8917   9.0000   4.8917   0.0000   0.0000   8.4076   2.3648  ?   ?  0.000000 2.364771 
1 1 1    9    2   51 o   12.674   2.6286   20.800   7.6090   20.800   7.6090   0.0000   0.0000   12.674   2.6286  ?   ?  0.000000 2.628597 
1 1 1    9    2   52 o   11.726   2.7279   18.100   7.4110   18.100   7.4110   0.0000   0.0000   11.726   2.7279  ?   ?  0.000000 2.727882 
1 1 1    9    2   53 f   2.4836   1.1536  -1.4000   1.6267  -1.4000   1.6267   0.0000   0.0000   2.4836   1.1536  ?   ?  0.000000 1.153585 
1 1 1    9    2   54 o   14.523   2.6819   28.700   8.8585   28.700   8.8585   0.0000   0.0000   14.523   2.6819  ?   ?  0.000000 2.681887 
1 1 1    9    2   55 o   2.3456   1.1567  -4.8000   2.2978  -4.8000   2.2978   0.0000   0.0000   2.3456   1.1567  ?   ?  0.000000 1.156734 
1 1 1    9    2   56 o   7.9146   2.5046   8.8000   5.2452   8.8000   5.2452   0.0000   0.0000   7.9146   2.5046  ?   ?  0.000000 2.504632 
1 1 1    9    2   57 o   4.6984   2.0118   0.7000   3.9789   0.7000   3.9789   0.0000   0.0000   4.6984   2.0118  ?   ?  0.000000 2.011777 
1 1 1    9    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    3    1 o  226.962   12.001  6139.57  640.902  5822.10  906.258  6457.20  906.487  219.801   17.608  231.784   16.674 -11.98270 24.25005 
1 1 1    9    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    3    4 o  278.952   14.854  9310.37  974.884 10053.20  1378.63  8567.40  1378.76  288.253   20.385  265.382   22.206 22.87158 30.14406 
1 1 1    9    3    5 o  249.234   13.239  7417.57  776.346  7483.00  1097.77  7352.10  1098.07  248.922   18.815  246.668   18.998 2.253784 26.73819 
1 1 1    9    3    6 o  227.699   12.034  6183.16  644.741  6031.70  911.524  6334.80  912.078  223.671   17.395  229.367   16.960 -5.696747 24.29473 
1 1 1    9    3    7 o   69.101   3.8923  566.005   63.253  576.800   89.434  555.200   89.472   69.625   5.4841   68.290   5.5976 1.335258 7.836383 
1 1 1    9    3    8 o   98.163   5.3051  1142.77  122.515  1085.70  173.220  1199.90  173.305   95.423   7.7545  100.394   7.3617 -4.970276 10.69241 
1 1 1    9    3    9 o  190.548   10.148  4324.73  454.955  4418.80  643.313  4230.60  643.493  191.798   14.307  187.570   14.645 4.227737 20.47334 
1 1 1    9    3   10 o  263.406   14.058  8318.21  871.231  8716.20  1232.02  7920.10  1232.19  267.758   19.622  254.772   20.660 12.98622 28.49298 
1 1 1    9    3   11 o   78.477   4.3548  730.355   80.383  746.100  113.661  714.600  113.696   79.152   6.1290   77.437   6.2717 1.715164 8.769145 
1 1 1    9    3   12 o  267.194   13.980  8583.00  879.014  9807.50  1243.39  7359.60  1242.83  283.729   18.663  244.223   21.779 39.50533 28.68161 
1 1 1    9    3   13 o  305.827   24.038 11669.30  1721.94 11669.30  1721.94   0.0000   0.0000  305.827   24.038  ?   ?  0.000000 24.03771 
1 1 1    9    3   14 o  280.964   14.838  9549.16  980.961 11428.00  1387.80  7673.10  1386.78  304.924   19.375  246.932   24.090 57.99229 30.91437 
1 1 1    9    3   15 o  275.381   14.825  9198.06  960.459  9108.70  1356.51  9287.90  1360.09  270.182   21.438  272.954   21.269 -2.772217 30.19908 
1 1 1    9    3   16 o  193.090   10.321  4472.56  468.885  4449.20  661.884  4496.10  664.330  191.012   14.790  192.033   14.763 -1.020950 20.89708 
1 1 1    9    3   17 o   19.405   1.7222   44.827   7.8092   53.600   11.059   36.100   11.029   21.181   2.2453   17.256   2.8029 3.924829 3.591322 
1 1 1    9    3   18 o   66.909   3.7942  531.357   59.700  542.800   84.401  519.900   84.456   67.457   5.3423   65.993   5.4690 1.464249 7.645244 
1 1 1    9    3   19 o  265.809   14.565  8642.56  910.723  8994.40  1287.48  8290.20  1288.44  266.629   20.609  255.105   21.591 11.52330 29.84808 
1 1 1    9    3   20 o   12.258   1.4489   17.995   4.1127   22.800   5.8826   13.400   5.7522   13.768   1.8567   10.441   2.3853 3.327415 3.022795 
1 1 1    9    3   21 o   19.422   1.6251   44.868   7.3844   53.800   10.522   36.200   10.366   21.232   2.1274   17.306   2.6184 3.926313 3.373668 
1 1 1    9    3   22 o  119.420   6.4828  1701.48  182.126  1785.30  257.517  1617.60  257.612  121.753   9.0212  115.733   9.5105 6.019501 13.10850 
1 1 1    9    3   23 o  200.711   10.900  4877.29  514.659  4926.70  726.832  4827.60  728.849  199.197   15.576  197.035   15.798 2.162140 22.18539 
1 1 1    9    3   24 o   83.012   6.5628  825.800  127.596  825.800  127.596   0.0000   0.0000   83.012   6.5628  ?   ?  0.000000 6.562803 
1 1 1    9    3   25 o  109.435   8.5322  1445.00  218.741  1445.00  218.741   0.0000   0.0000  109.435   8.5322  ?   ?  0.000000 8.532151 
1 1 1    9    3   26 o   64.176   5.2287  492.800   78.548  492.800   78.548   0.0000   0.0000   64.176   5.2287  ?   ?  0.000000 5.228683 
1 1 1    9    3   27 o  149.364   11.757  2754.40  411.331  2754.40  411.331   0.0000   0.0000  149.364   11.757  ?   ?  0.000000 11.75733 
1 1 1    9    3   28 f  125.774   9.9070  1942.30  291.855  1942.30  291.855   0.0000   0.0000  125.774   9.9070  ?   ?  0.000000 9.907028 
1 1 1    9    3   29 o  133.068   10.587  2201.30  329.927  2201.30  329.927   0.0000   0.0000  133.068   10.587  ?   ?  0.000000 10.58741 
1 1 1    9    3   30 o  149.185   12.153  2843.70  424.401  2843.70  424.401   0.0000   0.0000  149.185   12.153  ?   ?  0.000000 12.15291 
1 1 1    9    3   31 o   37.074   3.4583  164.900   29.926  164.900   29.926   0.0000   0.0000   37.074   3.4583  ?   ?  0.000000 3.458263 
1 1 1    9    3   32 o   28.061   2.9520   94.600   19.268   94.600   19.268   0.0000   0.0000   28.061   2.9520  ?   ?  0.000000 2.952023 
1 1 1    9    3   33 o   80.538   6.5832  800.200  124.103  800.200  124.103   0.0000   0.0000   80.538   6.5832  ?   ?  0.000000 6.583169 
1 1 1    9    3   34 o  101.161   8.3831  1303.30  198.450  1303.30  198.450   0.0000   0.0000  101.161   8.3831  ?   ?  0.000000 8.383110 
1 1 1    9    3   35 o   53.704   4.5878  351.200   57.622  351.200   57.622   0.0000   0.0000   53.704   4.5878  ?   ?  0.000000 4.587766 
1 1 1    9    3   36 o   71.706   5.9677  638.900  100.128  638.900  100.128   0.0000   0.0000   71.706   5.9677  ?   ?  0.000000 5.967654 
1 1 1    9    3   37 o   67.455   5.6607  565.600   89.333  565.600   89.333   0.0000   0.0000   67.455   5.6607  ?   ?  0.000000 5.660687 
1 1 1    9    3   38 o   47.070   4.1665  271.100   45.832  271.100   45.832   0.0000   0.0000   47.070   4.1665  ?   ?  0.000000 4.166456 
1 1 1    9    3   39 o   36.185   3.4595  159.700   29.200  159.700   29.200   0.0000   0.0000   36.185   3.4595  ?   ?  0.000000 3.459535 
1 1 1    9    3   40 o   23.949   2.7907   69.900   15.486   69.900   15.486   0.0000   0.0000   23.949   2.7907  ?   ?  0.000000 2.790722 
1 1 1    9    3   41 o   48.164   4.3647  291.400   49.101  291.400   49.101   0.0000   0.0000   48.164   4.3647  ?   ?  0.000000 4.364684 
1 1 1    9    3   42 o   45.473   4.1673  260.300   44.250  260.300   44.250   0.0000   0.0000   45.473   4.1673  ?   ?  0.000000 4.167274 
1 1 1    9    3   43 o   8.6806   2.2895   9.4000   4.7604   9.4000   4.7604   0.0000   0.0000   8.6806   2.2895  ?   ?  0.000000 2.289493 
1 1 1    9    3   44 o   14.770   2.5215   27.100   8.4787   27.100   8.4787   0.0000   0.0000   14.770   2.5215  ?   ?  0.000000 2.521452 
1 1 1    9    3   45 o   31.333   3.2397  122.300   23.624  122.300   23.624   0.0000   0.0000   31.333   3.2397  ?   ?  0.000000 3.239687 
1 1 1    9    3   46 o   28.515   3.0819  101.400   20.422  101.400   20.422   0.0000   0.0000   28.515   3.0819  ?   ?  0.000000 3.081860 
1 1 1    9    3   47 o   14.588   2.5284   26.700   8.3942   26.700   8.3942   0.0000   0.0000   14.588   2.5284  ?   ?  0.000000 2.528383 
1 1 1    9    3   48 f   14.834   2.5075   27.700   8.4701   27.700   8.4701   0.0000   0.0000   14.834   2.5075  ?   ?  0.000000 2.507452 
1 1 1    9    3   49 o   31.695   3.3760  130.100   24.878  130.100   24.878   0.0000   0.0000   31.695   3.3760  ?   ?  0.000000 3.376050 
1 1 1    9    3   50 o   23.607   2.9202   71.400   15.931   71.400   15.931   0.0000   0.0000   23.607   2.9202  ?   ?  0.000000 2.920160 
1 1 1    9    3   51 f   28.071   3.2272  102.900   21.002  102.900   21.002   0.0000   0.0000   28.071   3.2272  ?   ?  0.000000 3.227188 
1 1 1    9    3   52 o   12.255   2.5262   19.500   7.0675   19.500   7.0675   0.0000   0.0000   12.255   2.5262  ?   ?  0.000000 2.526217 
1 1 1    9    3   53 o   16.331   2.7693   35.400   10.297   35.400   10.297   0.0000   0.0000   16.331   2.7693  ?   ?  0.000000 2.769252 
1 1 1    9    3   54 o   8.7034   2.5814   10.300   5.6864   10.300   5.6864   0.0000   0.0000   8.7034   2.5814  ?   ?  0.000000 2.581371 
1 1 1    9    3   55 o   7.7095   2.4647   8.1000   5.0695   8.1000   5.0695   0.0000   0.0000   7.7095   2.4647  ?   ?  0.000000 2.464731 
1 1 1    9    3   56 o   7.2665   2.5633   7.1000   5.4756   7.1000   5.4756   0.0000   0.0000   7.2665   2.5633  ?   ?  0.000000 2.563308 
1 1 1    9    3   57 o   12.328   3.1186   23.700   9.0850   23.700   9.0850   0.0000   0.0000   12.328   3.1186  ?   ?  0.000000 3.118594 
1 1 1    9    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    4    2 o  315.611   16.568 11946.10  1230.44 12490.10  1741.39 11403.70  1738.84  320.402   23.173  305.629   24.294 14.77289 33.57354 
1 1 1    9    4    3 o  206.820   10.923  5093.25  531.554  4743.60  751.623  5443.10  751.838  198.561   16.171  213.041   15.042 -14.47928 22.08508 
1 1 1    9    4    4 o  154.910   8.2014  2850.52  298.937  2645.10  422.674  3056.10  422.846  148.656   12.147  160.001   11.264 -11.34483 16.56568 
1 1 1    9    4    5 o  333.453   17.905 13375.64  1404.66 13524.40  1983.57 13226.00  1989.43  332.200   25.480  328.310   25.871 3.889587 36.31214 
1 1 1    9    4    6 o  319.698   16.808 12276.00  1264.44 12753.40  1791.11 11801.70  1785.28  323.233   23.630  310.474   24.551 12.75879 34.07562 
1 1 1    9    4    7 o   56.549   3.2834  379.049   43.655  382.200   61.744  375.900   61.733   56.672   4.6550   56.196   4.6951 0.4761810 6.611537 
1 1 1    9    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    4    9 o   91.609   4.9814  995.266  107.353  964.100  151.737  1026.50  151.904   89.936   7.2054   92.845   6.9797 -2.908859 10.03163 
1 1 1    9    4   10 o  240.950   12.845  6949.08  728.231  7459.60  1029.84  6438.50  1029.91  248.192   17.688  229.993   19.137 18.19904 26.05946 
1 1 1    9    4   11 o  143.828   7.7256  2460.25  261.423  2567.10  369.625  2353.30  369.792  146.437   10.765  140.077   11.275 6.359787 15.58872 
1 1 1    9    4   12 o  182.483   9.7438  3973.52  418.349  3993.40  591.307  3953.60  591.964  181.967   13.866  181.028   13.956 0.9384918 19.67272 
1 1 1    9    4   13 o  131.040   7.0880  2042.62  218.510  2268.80  308.973  1816.30  309.065  137.723   9.5598  122.925   10.756 14.79768 14.39012 
1 1 1    9    4   14 o  223.494   12.007  6001.21  631.359  6215.40  892.657  5786.80  893.096  225.585   16.880  217.334   17.552 8.251221 24.35180 
1 1 1    9    4   15 o   62.833   3.6175  468.383   53.448  478.300   75.462  458.400   75.711   63.351   5.0873   61.995   5.2204 1.356411 7.289260 
1 1 1    9    4   16 o  114.296   8.8340  1566.70  236.572  1566.70  236.572   0.0000   0.0000  114.296   8.8340  ?   ?  0.000000 8.833951 
1 1 1    9    4   17 o   99.845   7.7705  1193.70  181.761  1193.70  181.761   0.0000   0.0000   99.845   7.7705  ?   ?  0.000000 7.770479 
1 1 1    9    4   18 o  308.061   25.170 12301.80  1814.95 12301.80  1814.95   0.0000   0.0000  308.061   25.170  ?   ?  0.000000 25.16965 
1 1 1    9    4   19 o   31.339   2.1955  116.617   16.145  119.100   22.753  114.100   22.912   31.586   3.0901   30.899   3.1860 0.6877594 4.438385 
1 1 1    9    4   20 o  179.568   9.8689  3880.30  416.859  4036.80  588.497  3722.70  590.564  181.541   13.832  173.985   14.507 7.556381 20.04429 
1 1 1    9    4   21 o  162.073   8.6924  3150.95  331.454  3129.30  467.720  3172.80  469.781  160.197   12.462  161.326   12.428 -1.129395 17.59986 
1 1 1    9    4   22 o   21.489   1.8234   54.945   9.1649   60.100   12.968   49.800   12.954   22.411   2.4927   20.337   2.7696 2.074295 3.726150 
1 1 1    9    4   23 o   88.210   4.7474  925.301   98.523  883.900  139.000  967.100  139.666   85.859   6.9145   89.887   6.6268 -4.027702 9.577338 
1 1 1    9    4   24 o  209.197   11.781  5332.25  579.577  5830.00  818.787  4832.40  820.506  215.874   16.180  195.139   18.010 20.73517 24.21031 
1 1 1    9    4   25 o  180.109   9.6187  3919.96  407.605  3828.00  575.384  4012.60  577.502  175.764   13.979  180.153   13.677 -4.388733 19.55707 
1 1 1    9    4   26 o   77.689   4.3503  718.276   79.485  745.400  112.357  691.100  112.462   78.855   6.0810   75.862   6.3360 2.993645 8.781969 
1 1 1    9    4   27 f   72.449   4.0069  624.557   68.283  584.200   96.456  665.100   96.678   69.738   5.9130   74.516   5.5339 -4.778336 8.098635 
1 1 1    9    4   28 o  189.196   10.604  4408.83  471.818  4766.50  666.807  4050.20  667.697  193.106   14.734  176.551   16.196 16.55507 21.89572 
1 1 1    9    4   29 o  109.227   8.6529  1462.30  221.352  1462.30  221.352   0.0000   0.0000  109.227   8.6529  ?   ?  0.000000 8.652876 
1 1 1    9    4   30 o  138.397   11.207  2425.00  363.096  2425.00  363.096   0.0000   0.0000  138.397   11.207  ?   ?  0.000000 11.20670 
1 1 1    9    4   31 o  107.243   8.6373  1431.30  216.875  1431.30  216.875   0.0000   0.0000  107.243   8.6373  ?   ?  0.000000 8.637295 
1 1 1    9    4   32 o   24.874   2.7935   74.400   16.124   74.400   16.124   0.0000   0.0000   24.874   2.7935  ?   ?  0.000000 2.793469 
1 1 1    9    4   33 o  100.050   8.2717  1262.70  193.670  1262.70  193.670   0.0000   0.0000  100.050   8.2717  ?   ?  0.000000 8.271683 
1 1 1    9    4   34 o   44.691   3.9723  241.500   41.483  241.500   41.483   0.0000   0.0000   44.691   3.9723  ?   ?  0.000000 3.972291 
1 1 1    9    4   35 o   89.947   7.4449  1023.10  156.707  1023.10  156.707   0.0000   0.0000   89.947   7.4449  ?   ?  0.000000 7.444927 
1 1 1    9    4   36 o   26.010   2.8788   81.700   17.385   81.700   17.385   0.0000   0.0000   26.010   2.8788  ?   ?  0.000000 2.878809 
1 1 1    9    4   37 o   75.139   6.2894  709.500  110.567  709.500  110.567   0.0000   0.0000   75.139   6.2894  ?   ?  0.000000 6.289405 
1 1 1    9    4   38 o   45.035   4.0274  247.800   42.377  247.800   42.377   0.0000   0.0000   45.035   4.0274  ?   ?  0.000000 4.027413 
1 1 1    9    4   39 o   31.779   3.1940  122.900   23.643  122.900   23.643   0.0000   0.0000   31.779   3.1940  ?   ?  0.000000 3.193969 
1 1 1    9    4   40 o   19.177   2.5835   44.900   11.401   44.900   11.401   0.0000   0.0000   19.177   2.5835  ?   ?  0.000000 2.583482 
1 1 1    9    4   41 o   20.038   2.6534   49.200   12.247   49.200   12.247   0.0000   0.0000   20.038   2.6534  ?   ?  0.000000 2.653397 
1 1 1    9    4   42 o   72.269   6.5753  711.500  110.982  711.500  110.982   0.0000   0.0000   72.269   6.5753  ?   ?  0.000000 6.575348 
1 1 1    9    4   43 o   23.599   2.8100   68.600   15.351   68.600   15.351   0.0000   0.0000   23.599   2.8100  ?   ?  0.000000 2.810035 
1 1 1    9    4   44 o   29.169   3.0993  105.400   21.021  105.400   21.021   0.0000   0.0000   29.169   3.0993  ?   ?  0.000000 3.099324 
1 1 1    9    4   45 o   39.263   3.7747  194.800   34.565  194.800   34.565   0.0000   0.0000   39.263   3.7747  ?   ?  0.000000 3.774659 
1 1 1    9    4   46 o   35.121   3.5008  155.600   28.647  155.600   28.647   0.0000   0.0000   35.121   3.5008  ?   ?  0.000000 3.500821 
1 1 1    9    4   47 o   17.788   2.5910   39.500   10.564   39.500   10.564   0.0000   0.0000   17.788   2.5910  ?   ?  0.000000 2.591020 
1 1 1    9    4   48 o   16.996   2.5855   36.300   10.049   36.300   10.049   0.0000   0.0000   16.996   2.5855  ?   ?  0.000000 2.585496 
1 1 1    9    4   49 o   42.573   4.2396  245.300   42.054  245.300   42.054   0.0000   0.0000   42.573   4.2396  ?   ?  0.000000 4.239630 
1 1 1    9    4   50 o   11.430   2.4854   16.800   6.5172   16.800   6.5172   0.0000   0.0000   11.430   2.4854  ?   ?  0.000000 2.485423 
1 1 1    9    4   51 o   16.271   2.5559   33.800   9.4964   33.800   9.4964   0.0000   0.0000   16.271   2.5559  ?   ?  0.000000 2.555877 
1 1 1    9    4   52 o   5.7095   2.1957   2.9000   4.1678   2.9000   4.1678   0.0000   0.0000   5.7095   2.1957  ?   ?  0.000000 2.195702 
1 1 1    9    4   53 o   11.742   2.6976   18.500   7.3222   18.500   7.3222   0.0000   0.0000   11.742   2.6976  ?   ?  0.000000 2.697582 
1 1 1    9    4   54 f   14.226   2.6741   27.600   8.6529   27.600   8.6529   0.0000   0.0000   14.226   2.6741  ?   ?  0.000000 2.674062 
1 1 1    9    4   55 o   9.8141   2.7178   13.800   6.5141   13.800   6.5141   0.0000   0.0000   9.8141   2.7178  ?   ?  0.000000 2.717823 
1 1 1    9    4   56 o   4.0845   1.8222  -0.8000   3.5719  -0.8000   3.5719   0.0000   0.0000   4.0845   1.8222  ?   ?  0.000000 1.822216 
1 1 1    9    4   57 o   5.9720   2.4215   3.4000   5.3209   3.4000   5.3209   0.0000   0.0000   5.9720   2.4215  ?   ?  0.000000 2.421526 
1 1 1    9    5    0 o   11.477   2.6973   17.900   6.3509   17.900   6.3509   17.900   6.3509   11.477   2.6973   11.477   2.6973 0.000000 0.000000 
1 1 1    9    5    1 o  178.732   9.4768  3798.56  398.539  3608.00  563.558  3989.20  563.680  173.466   13.874  182.589   13.162 -9.122726 19.12412 
1 1 1    9    5    2 o  157.625   8.3632  2951.65  310.172  3110.70  438.724  2792.70  438.576  161.382   11.590  152.757   12.262 8.624710 16.87234 
1 1 1    9    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    5    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    5    5 o  292.958   15.601 10288.18  1075.34 10243.30  1518.80 10333.30  1522.72  290.041   22.348  291.337   22.304 -1.295654 31.57342 
1 1 1    9    5    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    5    7 o  317.586   24.537 12371.30  1825.81 12371.30  1825.81   0.0000   0.0000  317.586   24.537  ?   ?  0.000000 24.53655 
1 1 1    9    5    8 o  316.938   24.558 12344.70  1823.59 12344.70  1823.59   0.0000   0.0000  316.938   24.558  ?   ?  0.000000 24.55814 
1 1 1    9    5    9 o  275.957   14.615  9137.83  948.948 10356.00  1342.16  7920.20  1341.87  292.011   19.578  253.994   22.609 38.01697 29.90784 
1 1 1    9    5   10 o  144.620   7.6170  2486.30  259.204  2815.20  366.685  2157.80  366.457  153.526   10.172  134.049   11.694 19.47713 15.49923 
1 1 1    9    5   11 o  145.755   7.8495  2527.58  269.169  2653.10  380.534  2401.90  380.791  148.826   10.904  141.449   11.500 7.377228 15.84774 
1 1 1    9    5   12 o  350.738   28.082 15589.50  2306.26 15589.50  2306.26   0.0000   0.0000  350.738   28.082  ?   ?  0.000000 28.08154 
1 1 1    9    5   13 o  190.542   10.179  4341.00  456.341  4365.40  645.362  4316.60  645.365  189.866   14.504  188.768   14.592 1.098434 20.57384 
1 1 1    9    5   14 o  157.059   8.3784  2942.48  309.609  3058.50  437.982  2826.60  437.726  159.370   11.720  153.046   12.214 6.323822 16.92770 
1 1 1    9    5   15 o   27.886   2.0409   92.349   13.346   96.500   18.876   88.200   18.871   28.433   2.8498   27.153   2.9929 1.280010 4.132626 
1 1 1    9    5   16 o   98.919   7.7045  1171.10  178.544  1171.10  178.544   0.0000   0.0000   98.919   7.7045  ?   ?  0.000000 7.704470 
1 1 1    9    5   17 o  435.541   39.637 27371.50  4031.98 27371.50  4031.98   0.0000   0.0000  435.541   39.637  ?   ?  0.000000 39.63744 
1 1 1    9    5   18 o   86.838   4.8950  896.344   99.966  961.700  141.164  830.600  141.584   89.702   6.7131   83.234   7.2767 6.468132 9.900313 
1 1 1    9    5   19 o  280.727   15.898  9708.53  1049.55 10750.90  1482.88  8662.20  1485.70  290.272   21.793  257.695   24.719 32.57645 32.95377 
1 1 1    9    5   20 o  106.444   5.9061  1349.70  147.869  1429.40  208.855  1269.60  209.382  109.123   8.1644  102.686   8.7175 6.437141 11.94374 
1 1 1    9    5   21 o  209.480   11.603  5319.09  571.730  5680.40  807.612  4956.10  809.488  213.980   16.101  198.996   17.402 14.98323 23.70813 
1 1 1    9    5   22 o  267.028   15.093  8794.35  947.810  9684.40  1339.21  7901.10  1341.61  275.129   20.766  245.875   23.389 29.25485 31.27766 
1 1 1    9    5   23 o   60.541   3.4613  435.158   49.277  422.300   69.576  448.100   69.802   59.454   5.0023   61.274   4.8642 -1.820770 6.977393 
1 1 1    9    5   24 o  157.961   8.6637  3001.69  321.926  3120.80  454.618  2881.90  455.927  159.666   12.149  153.137   12.723 6.528564 17.59219 
1 1 1    9    5   25 o  131.435   6.9967  2068.19  216.372  1990.00  305.385  2147.00  306.610  127.933   10.193  133.044   9.8291 -5.111343 14.16044 
1 1 1    9    5   26 o   45.957   2.8081  250.806   30.328  253.400   42.843  248.200   42.937   46.062   3.9778   45.576   4.0311 0.4859047 5.663338 
1 1 1    9    5   27 o  199.300   10.605  4863.83  497.299  4575.90  701.994  5153.90  704.587  189.183   15.860  201.731   14.896 -12.54790 21.75911 
1 1 1    9    5   28 o   93.206   4.9371  1037.82  108.275  946.700  152.809  1129.70  153.441   88.360   7.3916   96.774   6.7570 -8.413765 10.01465 
1 1 1    9    5   29 o   99.625   5.5658  1191.69  130.412  1252.70  184.227  1130.40  184.635  101.373   7.7549   96.083   8.2168 5.289772 11.29843 
1 1 1    9    5   30 o   45.243   2.7456  243.563   29.194  226.400   41.243  260.800   41.331   43.406   4.0713   46.665   3.7833 -3.259090 5.557794 
1 1 1    9    5   31 o  110.192   6.1776  1474.40  160.097  1553.80  226.201  1394.70  226.621  111.679   8.6449  105.416   9.1961 6.262817 12.62145 
1 1 1    9    5   32 o   84.448   4.6670  858.909   92.704  828.100  130.911  889.900  131.296   82.006   6.8223   85.148   6.5811 -3.141838 9.479169 
1 1 1    9    5   33 o   35.680   2.3253  151.708   19.485  161.100   27.617  142.400   27.494   36.622   3.2266   34.373   3.4333 2.248714 4.711498 
1 1 1    9    5   34 f   48.144   4.2045  280.800   47.319  280.800   47.319   0.0000   0.0000   48.144   4.2045  ?   ?  0.000000 4.204460 
1 1 1    9    5   35 o   27.620   2.9464   92.000   18.920   92.000   18.920   0.0000   0.0000   27.620   2.9464  ?   ?  0.000000 2.946417 
1 1 1    9    5   36 o   35.950   3.4219  156.300   28.698  156.300   28.698   0.0000   0.0000   35.950   3.4219  ?   ?  0.000000 3.421885 
1 1 1    9    5   37 o   17.249   2.5330   36.200   10.010   36.200   10.010   0.0000   0.0000   17.249   2.5330  ?   ?  0.000000 2.532976 
1 1 1    9    5   38 o   33.159   3.2635  133.400   25.222  133.400   25.222   0.0000   0.0000   33.159   3.2635  ?   ?  0.000000 3.263521 
1 1 1    9    5   39 o   63.959   5.4960  517.000   82.201  517.000   82.201   0.0000   0.0000   63.959   5.4960  ?   ?  0.000000 5.496042 
1 1 1    9    5   40 o   8.3448   2.2763   8.6000   4.6096   8.6000   4.6096   0.0000   0.0000   8.3448   2.2763  ?   ?  0.000000 2.276262 
1 1 1    9    5   41 o   53.985   4.8004  370.500   60.556  370.500   60.556   0.0000   0.0000   53.985   4.8004  ?   ?  0.000000 4.800398 
1 1 1    9    5   42 o   43.453   4.0193  237.200   40.773  237.200   40.773   0.0000   0.0000   43.453   4.0193  ?   ?  0.000000 4.019253 
1 1 1    9    5   43 f   16.685   2.5533   34.400   9.7398   34.400   9.7398   0.0000   0.0000   16.685   2.5533  ?   ?  0.000000 2.553336 
1 1 1    9    5   44 o   6.9783   2.2661   5.7000   4.2729   5.7000   4.2729   0.0000   0.0000   6.9783   2.2661  ?   ?  0.000000 2.266086 
1 1 1    9    5   45 o   41.405   3.9250  217.700   37.917  217.700   37.917   0.0000   0.0000   41.405   3.9250  ?   ?  0.000000 3.924968 
1 1 1    9    5   46 o   20.563   2.7486   52.600   13.012   52.600   13.012   0.0000   0.0000   20.563   2.7486  ?   ?  0.000000 2.748586 
1 1 1    9    5   47 o   27.868   3.0712   97.700   19.875   97.700   19.875   0.0000   0.0000   27.868   3.0712  ?   ?  0.000000 3.071241 
1 1 1    9    5   48 f   21.674   2.7723   59.100   13.863   59.100   13.863   0.0000   0.0000   21.674   2.7723  ?   ?  0.000000 2.772322 
1 1 1    9    5   49 o   26.122   3.0200   87.200   18.285   87.200   18.285   0.0000   0.0000   26.122   3.0200  ?   ?  0.000000 3.020040 
1 1 1    9    5   50 o   43.527   4.4003  262.300   44.607  262.300   44.607   0.0000   0.0000   43.527   4.4003  ?   ?  0.000000 4.400275 
1 1 1    9    5   51 o   19.328   2.6866   47.800   11.930   47.800   11.930   0.0000   0.0000   19.328   2.6866  ?   ?  0.000000 2.686586 
1 1 1    9    5   52 o   19.935   2.7535   51.500   12.616   51.500   12.616   0.0000   0.0000   19.935   2.7535  ?   ?  0.000000 2.753530 
1 1 1    9    5   53 o   14.525   2.6049   27.900   8.6059   27.900   8.6059   0.0000   0.0000   14.525   2.6049  ?   ?  0.000000 2.604863 
1 1 1    9    5   54 o   14.072   2.7199   27.200   8.7110   27.200   8.7110   0.0000   0.0000   14.072   2.7199  ?   ?  0.000000 2.719870 
1 1 1    9    5   55 o   9.9085   2.5415   13.800   5.9753   13.800   5.9753   0.0000   0.0000   9.9085   2.5415  ?   ?  0.000000 2.541516 
1 1 1    9    5   56 f   15.742   2.8814   36.300   10.316   36.300   10.316   0.0000   0.0000   15.742   2.8814  ?   ?  0.000000 2.881445 
1 1 1    9    5   57 o   3.4798   1.7055  -8.1000   4.7520  -8.1000   4.7520   0.0000   0.0000   3.4798   1.7055  ?   ?  0.000000 1.705524 
1 1 1    9    6    0 o  319.312   24.756 12432.20  1840.83 12432.20  1840.83 12432.20  1840.83  319.312   24.756  319.312   24.756 0.000000 0.000000 
1 1 1    9    6    1 o  136.400   7.2806  2208.66  233.652  2180.50  330.205  2236.90  330.663  135.136   10.429  136.901   10.304 -1.764725 14.66051 
1 1 1    9    6    2 f  133.009   6.9258  2099.46  216.776  1927.50  306.222  2272.20  306.913  127.022   10.298  138.095   9.4691 -11.07282 13.98968 
1 1 1    9    6    3 o  226.821   12.118  6136.81  646.674  6447.40  914.295  5825.90  914.776  231.428   16.846  219.686   17.787 11.74287 24.49806 
1 1 1    9    6    4 o  198.147   10.311  4673.66  480.766  4385.60  679.268  4962.80  680.545  191.007   15.186  203.465   14.255 -12.45889 20.82775 
1 1 1    9    6    5 o  183.061   9.7524  3987.83  420.048  4025.50  593.808  3950.10  594.267  183.209   13.828  181.444   13.978 1.764862 19.66158 
1 1 1    9    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    6    7 o  108.490   5.8725  1396.51  149.883  1404.90  211.860  1388.10  212.073  108.549   8.3288  107.886   8.3905 0.6627350 11.82242 
1 1 1    9    6    8 o  209.691   11.134  5245.91  549.319  5810.50  776.881  4681.40  776.827  219.801   15.059  196.700   16.888 23.10120 22.62706 
1 1 1    9    6    9 o  182.504   9.7657  3969.13  419.336  4155.50  592.897  3782.60  593.164  185.963   13.596  177.212   14.297 8.750992 19.72927 
1 1 1    9    6   10 o  258.254   13.850  8009.86  841.514  8358.00  1189.81  7661.40  1190.35  261.736   19.389  250.133   20.329 11.60309 28.09262 
1 1 1    9    6   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    6   12 o  323.801   17.183 12742.62  1309.13 14560.60  1851.84 10926.40  1850.94  342.379   23.039  293.682   26.992 48.69687 35.48798 
1 1 1    9    6   13 o  115.805   6.2509  1594.19  170.303  1628.50  240.871  1559.90  240.819  116.664   8.8084  114.131   9.0089 2.533257 12.59953 
1 1 1    9    6   14 o  358.312   29.361 16699.50  2462.43 16699.50  2462.43   0.0000   0.0000  358.312   29.361  ?   ?  0.000000 29.36105 
1 1 1    9    6   15 o  115.678   8.9448  1604.80  242.434  1604.80  242.434   0.0000   0.0000  115.678   8.9448  ?   ?  0.000000 8.944775 
1 1 1    9    6   16 o  277.254   15.022  9373.56  979.785  9345.70  1383.51  9401.60  1387.75  272.224   21.703  273.042   21.703 -0.8175049 30.69253 
1 1 1    9    6   17 o  117.661   6.2670  1648.25  173.494  1591.10  244.922  1705.80  245.795  115.068   9.0878  119.232   8.7921 -4.163994 12.64472 
1 1 1    9    6   18 o   93.357   5.1974  1036.49  114.123  1076.10  161.101  996.600  161.689   94.814   7.2505   91.164   7.5796 3.649368 10.48911 
1 1 1    9    6   19 o  163.312   8.9463  3199.20  343.693  3452.20  485.672  2945.40  486.438  168.518   12.290  155.162   13.408 13.35657 18.18829 
1 1 1    9    6   20 f  135.188   7.3976  2184.31  235.255  2267.50  332.188  2100.60  333.217  136.964   10.347  131.657   10.814 5.307480 14.96678 
1 1 1    9    6   21 o  266.283   15.183  8739.99  950.719  9893.50  1343.28  7582.20  1345.77  278.580   20.565  240.532   24.015 38.04762 31.61712 
1 1 1    9    6   22 o   90.198   5.0491  968.059  107.107  1041.10  151.309  894.700  151.637   93.241   6.9216   86.284   7.5175 6.956947 10.21864 
1 1 1    9    6   23 o   27.888   2.0485   92.399   13.396   92.800   18.957   92.000   18.932   27.859   2.9253   27.736   2.9352 0.1230907 4.144032 
1 1 1    9    6   24 o  256.277   14.501  8127.77  873.956  8953.60  1234.86  7299.00  1237.06  263.708   19.979  235.367   22.533 28.34102 30.11477 
1 1 1    9    6   25 o  190.319   10.454  4399.98  468.014  4514.30  660.788  4284.90  662.961  190.130   14.835  184.875   15.324 5.254807 21.32897 
1 1 1    9    6   26 o  159.064   8.8050  3058.58  329.435  3223.70  465.285  2892.60  466.500  161.562   12.288  152.553   13.076 9.009018 17.94399 
1 1 1    9    6   27 o   34.945   2.2783  145.031   18.697  119.800   26.405  170.400   26.477   31.586   3.6049   37.819   2.9892 -6.233093 4.683003 
1 1 1    9    6   28 o   54.988   3.1538  359.549   40.780  328.900   57.577  390.400   57.767   52.349   4.7081   57.138   4.3132 -4.789028 6.385174 
1 1 1    9    6   29 o   15.028   1.7153   27.049   5.9782   21.800   8.4949   32.200   8.4148   13.316   2.7908   16.344   2.2392 -3.027560 3.578046 
1 1 1    9    6   30 o  120.963   6.4449  1773.51  183.427  1643.40  258.870  1904.70  259.943  114.603   9.6558  123.914   8.9439 -9.311134 13.16160 
1 1 1    9    6   31 o   71.427   4.0900  611.260   68.696  644.000   97.062  578.400   97.241   72.835   5.6886   68.883   6.0392 3.952599 8.296545 
1 1 1    9    6   32 o   67.740   3.8527  550.020   61.373  536.800   86.697  563.300   86.892   66.375   5.5833   68.052   5.4531 -1.676781 7.804448 
1 1 1    9    6   33 o   65.545   3.7609  515.834   57.966  506.000   81.911  525.700   82.042   64.334   5.4430   65.623   5.3408 -1.289253 7.625591 
1 1 1    9    6   34 o   45.609   2.7863  248.572   29.864  270.700   42.261  226.500   42.208   47.365   3.8107   43.199   4.1905 4.166447 5.664072 
1 1 1    9    6   35 o   57.134   3.4061  392.156   45.744  430.800   64.645  353.400   64.739   59.466   4.6404   53.620   5.1774 5.846054 6.952606 
1 1 1    9    6   36 o   29.530   3.0442  105.300   20.923  105.300   20.923   0.0000   0.0000   29.530   3.0442  ?   ?  0.000000 3.044217 
1 1 1    9    6   37 o   53.215   4.5902  347.500   57.116  347.500   57.116   0.0000   0.0000   53.215   4.5902  ?   ?  0.000000 4.590194 
1 1 1    9    6   38 o   30.484   3.1093  112.700   22.068  112.700   22.068   0.0000   0.0000   30.484   3.1093  ?   ?  0.000000 3.109300 
1 1 1    9    6   39 o   15.140   2.4611   28.100   8.4967   28.100   8.4967   0.0000   0.0000   15.140   2.4611  ?   ?  0.000000 2.461099 
1 1 1    9    6   40 o   52.785   4.6725  350.300   57.639  350.300   57.639   0.0000   0.0000   52.785   4.6725  ?   ?  0.000000 4.672513 
1 1 1    9    6   41 o   26.506   2.9322   86.100   18.045   86.100   18.045   0.0000   0.0000   26.506   2.9322  ?   ?  0.000000 2.932156 
1 1 1    9    6   42 o   64.197   5.7839  547.200   86.738  547.200   86.738   0.0000   0.0000   64.197   5.7839  ?   ?  0.000000 5.783891 
1 1 1    9    6   43 o   18.372   2.5749   41.600   10.864   41.600   10.864   0.0000   0.0000   18.372   2.5749  ?   ?  0.000000 2.574898 
1 1 1    9    6   44 o   25.029   2.8806   77.400   16.715   77.400   16.715   0.0000   0.0000   25.029   2.8806  ?   ?  0.000000 2.880613 
1 1 1    9    6   45 o   42.879   4.0344  234.300   40.369  234.300   40.369   0.0000   0.0000   42.879   4.0344  ?   ?  0.000000 4.034388 
1 1 1    9    6   46 o   49.221   4.6174  318.900   53.039  318.900   53.039   0.0000   0.0000   49.221   4.6174  ?   ?  0.000000 4.617354 
1 1 1    9    6   47 o   39.189   3.8621  198.800   35.275  198.800   35.275   0.0000   0.0000   39.189   3.8621  ?   ?  0.000000 3.862126 
1 1 1    9    6   48 o   6.8765   2.1820   5.7000   3.9789   5.7000   3.9789   0.0000   0.0000   6.8765   2.1820  ?   ?  0.000000 2.182019 
1 1 1    9    6   49 o   15.885   2.6195   32.100   9.4833   32.100   9.4833   0.0000   0.0000   15.885   2.6195  ?   ?  0.000000 2.619481 
1 1 1    9    6   50 o   13.696   2.5352   24.000   7.8972   24.000   7.8972   0.0000   0.0000   13.696   2.5352  ?   ?  0.000000 2.535246 
1 1 1    9    6   51 o   15.410   2.6045   30.500   9.1395   30.500   9.1395   0.0000   0.0000   15.410   2.6045  ?   ?  0.000000 2.604538 
1 1 1    9    6   52 o   32.989   3.6143  148.300   27.694  148.300   27.694   0.0000   0.0000   32.989   3.6143  ?   ?  0.000000 3.614336 
1 1 1    9    6   53 o   20.124   2.8290   54.100   13.072   54.100   13.072   0.0000   0.0000   20.124   2.8290  ?   ?  0.000000 2.828983 
1 1 1    9    6   54 o   13.207   2.6583   24.000   8.0034   24.000   8.0034   0.0000   0.0000   13.207   2.6583  ?   ?  0.000000 2.658329 
1 1 1    9    6   55 f   11.306   2.8135   18.500   7.4811   18.500   7.4811   0.0000   0.0000   11.306   2.8135  ?   ?  0.000000 2.813496 
1 1 1    9    6   56 o  ?   ?  -13.2000   1.1056 -13.2000   1.1056   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    6   57 o   9.7587   2.7635   14.300   6.6569   14.300   6.6569   0.0000   0.0000   9.7587   2.7635  ?   ?  0.000000 2.763519 
1 1 1    9    7    0 o  203.643   15.698  5013.40  744.552  5013.40  744.552  5013.40  744.552  203.643   15.698  203.643   15.698 0.000000 0.000000 
1 1 1    9    7    1 o  337.332   16.837 13632.67  1341.14 15237.50  1901.24 12043.20  1892.12  353.798   22.880  313.058   25.826 40.74008 34.50301 
1 1 1    9    7    2 o  386.441   20.768 18077.66  1888.15 18091.10  2674.11 18064.30  2666.41  381.605   29.915  381.364   29.847 0.2409668 42.25859 
1 1 1    9    7    3 o  256.892   13.600  7889.55  822.074  7711.80  1162.09  8067.60  1163.09  252.278   19.663  258.211   19.213 -5.932953 27.49113 
1 1 1    9    7    4 o  195.944   10.446  4572.66  481.598  4641.10  680.777  4504.10  681.388  196.568   14.775  193.572   15.025 2.995407 21.07210 
1 1 1    9    7    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    7    6 o  300.233   15.981 10830.35  1128.92 10695.80  1595.92 10965.10  1597.14  295.625   23.044  299.471   22.755 -3.846466 32.38559 
1 1 1    9    7    7 o  318.168   17.469 12212.86  1307.46 12901.10  1846.46 11520.80  1851.59  323.854   24.323  305.103   25.947 18.75095 35.56432 
1 1 1    9    7    8 o  264.282   14.094  8379.01  876.397  9012.00  1239.41  7746.00  1239.42  272.222   19.408  251.624   21.053 20.59848 28.63391 
1 1 1    9    7    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    7   10 o  188.724   10.052  4250.93  446.352  4214.20  631.030  4287.70  631.445  186.850   14.413  188.517   14.291 -1.666397 20.29722 
1 1 1    9    7   11 o   42.884   2.6580  218.100   26.783  239.500   37.877  196.700   37.877   44.869   3.6054   40.592   4.0038 4.277172 5.387839 
1 1 1    9    7   12 o  133.962   7.1061  2135.01  223.986  2200.60  317.465  2070.00  316.067  135.516   9.9912  131.356   10.272 4.159866 14.32936 
1 1 1    9    7   13 o  189.966   10.232  4320.40  457.294  4480.70  646.314  4159.70  647.109  192.209   14.343  184.948   14.945 7.261047 20.71417 
1 1 1    9    7   14 o  204.010   10.783  4994.71  517.593  5667.10  732.146  4322.90  731.829  215.998   14.438  187.619   16.693 28.37881 22.07025 
1 1 1    9    7   15 o   79.532   4.4920  751.124   84.016  807.400  118.686  694.600  118.947   82.268   6.1541   76.196   6.6783 6.072044 9.081443 
1 1 1    9    7   16 o   82.056   4.6268  799.821   89.285  870.000  126.160  729.400  126.377   85.380   6.3021   78.041   6.9298 7.338585 9.366889 
1 1 1    9    7   17 o  300.009   16.844 11098.79  1188.43 11868.60  1678.92 10325.70  1682.48  304.229   23.554  281.705   25.571 22.52444 34.76602 
1 1 1    9    7   18 o  236.402   12.780  6785.86  710.746  6802.20  1004.79  6769.50  1005.51  233.294   18.388  232.687   18.451 0.6066895 26.04966 
1 1 1    9    7   19 o  187.833   10.114  4247.92  446.953  4448.50  632.051  4047.30  632.123  190.492   14.152  181.293   14.898 9.199020 20.54816 
1 1 1    9    7   20 o  181.470   9.7073  3962.10  414.463  3906.60  584.820  4018.10  587.466  178.414   13.994  181.026   13.848 -2.611801 19.68719 
1 1 1    9    7   21 o   52.922   3.1663  332.457   39.387  350.000   55.612  314.800   55.793   54.177   4.3846   51.328   4.6539 2.849388 6.393987 
1 1 1    9    7   22 o   58.282   3.1972  403.035   43.834  357.700   61.711  449.200   62.273   54.712   4.8261   61.423   4.3210 -6.711124 6.477791 
1 1 1    9    7   23 o  154.155   8.6128  2856.54  312.266  3189.10  441.121  2522.50  442.101  161.755   11.626  143.094   13.234 18.66150 17.61550 
1 1 1    9    7   24 o  119.093   6.5962  1695.51  184.775  1804.40  260.944  1586.00  261.681  122.201   9.1084  114.318   9.7882 7.882530 13.37059 
1 1 1    9    7   25 o   42.058   2.4977  209.903   24.694  174.900   34.826  245.300   35.021   38.218   3.9141   45.402   3.2888 -7.183800 5.112432 
1 1 1    9    7   26 o  118.922   6.1415  1691.86  171.875  1544.50  242.303  1841.10  243.841  112.695   9.1852  123.378   8.4199 -10.68285 12.46046 
1 1 1    9    7   27 o   72.087   3.9762  618.632   67.422  586.500   95.030  651.200   95.672   69.853   5.8140   73.687   5.5389 -3.834068 8.030086 
1 1 1    9    7   28 o  170.330   9.6049  3563.54  384.743  3920.40  543.660  3205.50  544.558  175.724   13.198  157.389   14.827 18.33533 19.85043 
1 1 1    9    7   29 o   9.3594   1.6221   10.654   3.4552   9.1000   4.8928   12.200   4.8799   8.6276   2.3417   9.9642   2.1380 -1.336572 3.170896 
1 1 1    9    7   30 o   73.664   4.0865  649.037   70.805  624.100   99.908  674.200  100.359   71.713   5.9537   74.624   5.7393 -2.910324 8.269572 
1 1 1    9    7   31 o   87.703   4.9508  927.043  102.111  977.700  144.274  876.200  144.539   89.235   6.9005   84.238   7.3397 4.997467 10.07411 
1 1 1    9    7   32 o   13.737   1.6547   22.654   5.2598   22.300   7.4844   23.000   7.3934   13.505   2.4366   13.733   2.3653 -0.2274799 3.395824 
1 1 1    9    7   33 o   53.870   3.1981  347.305   40.500  349.900   57.220  344.700   57.331   53.704   4.5550   53.286   4.6014 0.4177628 6.474660 
1 1 1    9    7   34 o   43.207   2.7263  223.088   27.673  232.100   39.053  214.000   39.219   43.829   3.8114   42.023   4.0006 1.805893 5.525494 
1 1 1    9    7   35 o   56.659   3.3347  385.497   44.419  384.300   62.736  386.700   62.900   56.079   4.7833   56.257   4.7802 -0.1773453 6.762423 
1 1 1    9    7   36 o   17.302   1.7184   35.834   6.9278   37.900   9.8355   33.800   9.7598   17.686   2.4185   16.657   2.5636 1.029247 3.524337 
1 1 1    9    7   37 o   7.9620   1.7528   7.8142   3.2062   5.0000   4.6816   10.300   4.3999   6.8377   2.3729   9.1288   2.0866 -2.291182 3.159848 
1 1 1    9    7   38 o   15.993   1.6162   30.650   6.0199   42.000   8.5515   19.500   8.4759   18.693   1.9669   12.507   2.9225 6.185264 3.522712 
1 1 1    9    7   39 o   50.259   3.0883  305.747   36.475  331.800   51.536  279.600   51.630   51.809   4.2500   47.305   4.6836 4.504063 6.324407 
1 1 1    9    7   40 o   49.522   4.4236  307.200   51.186  307.200   51.186   0.0000   0.0000   49.522   4.4236  ?   ?  0.000000 4.423624 
1 1 1    9    7   41 o   47.115   4.2728  279.100   47.020  279.100   47.020   0.0000   0.0000   47.115   4.2728  ?   ?  0.000000 4.272777 
1 1 1    9    7   42 o   52.700   4.7566  356.700   58.555  356.700   58.555   0.0000   0.0000   52.700   4.7566  ?   ?  0.000000 4.756596 
1 1 1    9    7   43 o   37.176   3.5947  172.700   31.162  172.700   31.162   0.0000   0.0000   37.176   3.5947  ?   ?  0.000000 3.594659 
1 1 1    9    7   44 o   36.263   3.5534  164.700   30.037  164.700   30.037   0.0000   0.0000   36.263   3.5534  ?   ?  0.000000 3.553406 
1 1 1    9    7   45 o   36.731   3.5865  169.700   30.711  169.700   30.711   0.0000   0.0000   36.731   3.5865  ?   ?  0.000000 3.586487 
1 1 1    9    7   46 o   27.550   3.0391   94.900   19.442   94.900   19.442   0.0000   0.0000   27.550   3.0391  ?   ?  0.000000 3.039103 
1 1 1    9    7   47 o   15.273   2.5435   29.300   8.8509   29.300   8.8509   0.0000   0.0000   15.273   2.5435  ?   ?  0.000000 2.543546 
1 1 1    9    7   48 o   26.031   2.9900   85.900   18.045   85.900   18.045   0.0000   0.0000   26.031   2.9900  ?   ?  0.000000 2.989986 
1 1 1    9    7   49 o   33.123   3.4802  143.300   26.813  143.300   26.813   0.0000   0.0000   33.123   3.4802  ?   ?  0.000000 3.480205 
1 1 1    9    7   50 o   24.397   2.9290   76.300   16.537   76.300   16.537   0.0000   0.0000   24.397   2.9290  ?   ?  0.000000 2.929022 
1 1 1    9    7   51 o   13.434   2.5772   23.300   7.8781   23.300   7.8781   0.0000   0.0000   13.434   2.5772  ?   ?  0.000000 2.577218 
1 1 1    9    7   52 o   17.004   2.6268   37.500   10.207   37.500   10.207   0.0000   0.0000   17.004   2.6268  ?   ?  0.000000 2.626831 
1 1 1    9    7   53 o   6.5854   2.2196   5.3000   4.0894   5.3000   4.0894   0.0000   0.0000   6.5854   2.2196  ?   ?  0.000000 2.219573 
1 1 1    9    7   54 o   16.871   2.7942   39.500   10.742   39.500   10.742   0.0000   0.0000   16.871   2.7942  ?   ?  0.000000 2.794196 
1 1 1    9    7   55 o   7.4755   2.3337   7.6000   4.5692   7.6000   4.5692   0.0000   0.0000   7.4755   2.3337  ?   ?  0.000000 2.333701 
1 1 1    9    7   56 o   5.6471   2.0851   3.7000   3.6741   3.7000   3.6741   0.0000   0.0000   5.6471   2.0851  ?   ?  0.000000 2.085098 
1 1 1    9    7   57 o   6.4263   2.6052   4.3000   6.1576   4.3000   6.1576   0.0000   0.0000   6.4263   2.6052  ?   ?  0.000000 2.605230 
1 1 1    9    8    0 o   36.973   3.5208  165.800   30.098  165.800   30.098  165.800   30.098   36.973   3.5208   36.973   3.5208 -0.000000 0.000000 
1 1 1    9    8    1 o  226.198   11.759  6102.57  625.937  6773.70  885.755  5433.10  884.664  237.384   15.893  211.974   17.840 25.41069 23.89264 
1 1 1    9    8    2 o  193.196   9.8533  4441.71  448.018  3671.20  633.104  5214.60  634.085  174.520   15.525  208.811   12.923 -34.29144 20.19978 
1 1 1    9    8    3 o  146.139   7.6840  2536.78  264.231  2749.60  373.913  2324.50  373.446  151.781   10.497  139.342   11.451 12.43883 15.53420 
1 1 1    9    8    4 o  327.333   17.492 12907.95  1347.19 13165.00  1905.39 12651.00  1905.03  327.319   24.837  320.561   25.374 6.758270 35.50673 
1 1 1    9    8    5 o  236.048   12.559  6658.94  697.536  6524.00  986.440  6793.90  986.490  232.125   18.141  237.026   17.754 -4.900940 25.38293 
1 1 1    9    8    6 o  191.331   10.048  4361.53  452.375  4138.70  639.296  4585.00  640.213  185.400   14.724  195.380   13.969 -9.980637 20.29572 
1 1 1    9    8    7 o  361.454   19.551 15867.04  1662.49 16552.20  2350.61 15181.30  2351.61  364.310   27.527  347.889   28.887 16.42099 39.90287 
1 1 1    9    8    8 o   64.362   3.6633  491.152   55.444  501.800   78.402  480.500   78.418   64.926   5.1563   63.512   5.2766 1.414513 7.377650 
1 1 1    9    8    9 o  152.440   8.1196  2765.70  291.224  3008.20  411.897  2523.30  411.809  158.476   11.077  144.854   12.152 13.62225 16.44239 
1 1 1    9    8   10 o  168.613   8.9542  3389.17  355.238  3794.00  502.433  2984.50  502.331  177.762   12.041  157.166   13.672 20.59575 18.21769 
1 1 1    9    8   11 o  221.048   11.722  5858.94  609.678  6003.80  863.428  5714.90  861.007  222.090   16.584  216.496   16.978 5.593796 23.73335 
1 1 1    9    8   12 o  269.469   14.364  8779.10  910.713  9386.70  1288.36  8172.30  1287.52  275.739   19.921  256.291   21.472 19.44855 29.29009 
1 1 1    9    8   13 o  244.043   13.076  7187.53  750.801  7139.70  1059.92  7235.70  1063.68  240.476   18.815  242.131   18.750 -1.655212 26.56270 
1 1 1    9    8   14 f  131.588   6.9942  2062.52  216.547  2312.70  306.323  1812.60  306.165  138.889   9.3953  122.592   10.683 16.29720 14.22671 
1 1 1    9    8   15 o  268.319   14.809  8771.74  934.635  9189.60  1320.22  8351.90  1323.34  270.649   20.817  257.068   22.012 13.58038 30.29689 
1 1 1    9    8   16 o  159.183   8.7454  3032.76  327.468  3266.60  462.607  2797.90  463.614  164.263   12.010  151.604   13.078 12.65956 17.75606 
1 1 1    9    8   17 o   73.120   4.1348  634.905   71.100  669.500  100.471  600.200  100.630   74.900   5.7240   70.844   6.0741 4.056313 8.346187 
1 1 1    9    8   18 o  164.454   8.8533  3242.28  342.537  3276.40  484.182  3208.10  484.658  164.064   12.594  162.275   12.751 1.789658 17.92165 
1 1 1    9    8   19 o  264.375   14.428  8564.08  897.342  8966.70  1268.91  8161.30  1269.16  265.830   20.370  252.578   21.483 13.25264 29.60492 
1 1 1    9    8   20 o   74.077   4.1421  651.851   72.164  663.800  102.051  639.900  102.058   74.533   5.8453   73.153   5.9600 1.379913 8.347963 
1 1 1    9    8   21 o  211.392   11.712  5422.66  582.330  5796.60  822.594  5047.00  824.488  215.933   16.252  200.558   17.587 15.37560 23.94620 
1 1 1    9    8   22 o   66.798   3.7786  529.948   59.357  524.300   83.566  535.700   84.326   66.237   5.3895   66.960   5.3786 -0.7226105 7.614152 
1 1 1    9    8   23 o  134.088   7.2479  2152.32  228.638  2147.30  322.558  2157.40  324.134  132.991   10.353  133.296   10.380 -0.3047485 14.66007 
1 1 1    9    8   24 o   69.522   3.9356  574.460   64.345  581.100   90.927  567.800   91.068   69.694   5.5716   68.875   5.6492 0.8195190 7.934481 
1 1 1    9    8   25 o   65.222   3.7246  505.659   57.126  507.100   80.554  504.200   81.025   65.094   5.2863   64.898   5.3344 0.1953659 7.510084 
1 1 1    9    8   26 o   57.578   3.3595  394.063   45.478  396.700   64.159  391.400   64.473   57.578   4.7616   57.181   4.8199 0.3978882 6.775273 
1 1 1    9    8   27 o   29.714   2.1076  104.931   14.692  101.900   20.713  108.000   20.842   29.172   3.0521   30.051   2.9763 -0.8792343 4.263054 
1 1 1    9    8   28 o   55.803   3.3167  370.661   43.508  389.200   61.428  352.000   61.631   56.977   4.6050   54.116   4.8753 2.861065 6.706303 
1 1 1    9    8   29 o  134.235   7.1889  2190.47  227.044  2085.40  320.289  2296.60  321.894  128.803   10.625  135.573   10.128 -6.769226 14.67913 
1 1 1    9    8   30 o   42.688   2.6701  216.958   26.780  219.400   37.813  214.500   37.932   42.752   3.7848   42.257   3.8434 0.4943008 5.394101 
1 1 1    9    8   31 o  107.706   5.9180  1409.56  149.939  1374.00  211.634  1445.40  212.460  104.687   8.6382  107.531   8.4349 -2.843941 12.07336 
1 1 1    9    8   32 o  138.386   7.8764  2391.10  256.318  2464.60  362.005  2317.20  362.974  136.651   11.321  131.923   11.776 4.728073 16.33466 
1 1 1    9    8   33 f   53.045   3.1317  336.675   39.053  326.600   55.160  346.800   55.299   51.864   4.5500   53.496   4.4171 -1.631989 6.341383 
1 1 1    9    8   34 o   95.609   5.4664  1119.11  122.902  1246.70  173.702  991.200  173.919   99.445   7.4512   87.791   8.4957 11.65464 11.30033 
1 1 1    9    8   35 o   33.967   2.3200  137.778   18.497  145.500   26.113  130.000   26.206   34.735   3.2203   32.767   3.4382 1.968143 4.710738 
1 1 1    9    8   36 o   35.854   2.4139  153.695   20.319  178.400   28.709  128.900   28.761   38.471   3.1890   32.501   3.8204 5.970276 4.976447 
1 1 1    9    8   37 o   55.098   3.2812  365.911   42.497  368.800   59.982  363.000   60.218   54.744   4.6852   54.281   4.7458 0.4631462 6.668847 
1 1 1    9    8   38 o   24.495   1.9516   71.811   11.195   74.500   15.799   69.100   15.865   24.793   2.7445   23.836   2.8767 0.9569435 3.975924 
1 1 1    9    8   39 o   5.5701   1.5977   3.7690   2.2107   4.7000   3.2869   3.0000   2.9872   6.3140   1.9807   5.3688   1.8934 0.9452019 2.740045 
1 1 1    9    8   40 o   13.347   1.6939   21.537   5.2186   19.000   7.4354   24.000   7.3261   12.338   2.6323   13.977   2.2998 -1.638513 3.495450 
1 1 1    9    8   41 o   49.884   4.4993  315.100   52.429  315.100   52.429   0.0000   0.0000   49.884   4.4993  ?   ?  0.000000 4.499331 
1 1 1    9    8   42 o   20.259   2.6686   50.500   12.456   50.500   12.456   0.0000   0.0000   20.259   2.6686  ?   ?  0.000000 2.668641 
1 1 1    9    8   43 o   32.829   3.3172  133.900   25.363  133.900   25.363   0.0000   0.0000   32.829   3.3172  ?   ?  0.000000 3.317224 
1 1 1    9    8   44 o   14.799   2.4976   27.200   8.4174   27.200   8.4174   0.0000   0.0000   14.799   2.4976  ?   ?  0.000000 2.497550 
1 1 1    9    8   45 o   7.3043   2.2023   6.5000   4.1139   6.5000   4.1139   0.0000   0.0000   7.3043   2.2023  ?   ?  0.000000 2.202287 
1 1 1    9    8   46 o   26.093   2.9655   85.100   17.947   85.100   17.947   0.0000   0.0000   26.093   2.9655  ?   ?  0.000000 2.965540 
1 1 1    9    8   47 f   12.115   2.4941   18.600   6.8972   18.600   6.8972   0.0000   0.0000   12.115   2.4941  ?   ?  0.000000 2.494106 
1 1 1    9    8   48 o   16.316   2.5618   33.600   9.5451   33.600   9.5451   0.0000   0.0000   16.316   2.5618  ?   ?  0.000000 2.561826 
1 1 1    9    8   49 o   17.824   2.6169   40.300   10.687   40.300   10.687   0.0000   0.0000   17.824   2.6169  ?   ?  0.000000 2.616910 
1 1 1    9    8   50 o   6.7557   2.2492   5.4000   4.2000   5.4000   4.2000   0.0000   0.0000   6.7557   2.2492  ?   ?  0.000000 2.249242 
1 1 1    9    8   51 o   3.7990   1.5629   0.6000   2.2565   0.6000   2.2565   0.0000   0.0000   3.7990   1.5629  ?   ?  0.000000 1.562887 
1 1 1    9    8   52 o   14.200   2.5729   26.300   8.3096   26.300   8.3096   0.0000   0.0000   14.200   2.5729  ?   ?  0.000000 2.572948 
1 1 1    9    8   53 f   3.6583   1.5061   0.6000   2.0974   0.6000   2.0974   0.0000   0.0000   3.6583   1.5061  ?   ?  0.000000 1.506117 
1 1 1    9    8   54 o   6.6229   2.2859   5.5000   4.3418   5.5000   4.3418   0.0000   0.0000   6.6229   2.2859  ?   ?  0.000000 2.285924 
1 1 1    9    8   55 o   9.8097   2.5110   13.600   5.8412   13.600   5.8412   0.0000   0.0000   9.8097   2.5110  ?   ?  0.000000 2.511009 
1 1 1    9    8   56 o   8.4868   2.6446   10.400   5.8709   10.400   5.8709   0.0000   0.0000   8.4868   2.6446  ?   ?  0.000000 2.644624 
1 1 1    9    8   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9    9    0 o   97.959   7.7458  1156.00  176.596  1156.00  176.596  1156.00  176.596   97.959   7.7458   97.959   7.7458 0.000000 0.000000 
1 1 1    9    9    1 o  352.939   18.907 15054.47  1570.01 15430.10  2220.56 14679.00  2220.08  353.271   26.819  344.093   27.554 9.177460 38.45146 
1 1 1    9    9    2 o  427.695   34.163 23205.00  3421.43 23205.00  3421.43   0.0000   0.0000  427.695   34.163  ?   ?  0.000000 34.16258 
1 1 1    9    9    3 o  256.680   13.210  7881.41  797.985  8992.60  1129.33  6773.40  1127.71  272.882   17.620  235.719   20.463 37.16275 27.00394 
1 1 1    9    9    4 o  125.322   6.6125  1864.56  194.990  2006.70  275.991  1722.90  275.524  129.722   9.0669  120.044   9.8054 9.678383 13.35496 
1 1 1    9    9    5 o  202.768   10.779  4905.00  514.248  4712.20  727.165  5097.90  727.348  197.581   15.716  205.729   15.077 -8.148392 21.77842 
1 1 1    9    9    6 o  175.493   9.3344  3668.55  385.429  3777.80  545.213  3559.40  544.946  177.346   13.112  172.021   13.525 5.325012 18.83730 
1 1 1    9    9    7 o  315.644   16.908 12046.77  1255.67 12365.30  1776.14 11728.50  1775.42  316.105   23.973  307.405   24.666 8.699615 34.39688 
1 1 1    9    9    8 o   91.288   4.9839  988.789  107.028  1050.70  151.373  926.900  151.347   93.909   6.8740   88.113   7.3408 5.796715 10.05677 
1 1 1    9    9    9 o   34.692   2.2551  142.760   18.374  126.400   25.953  159.200   26.016   32.523   3.4311   36.580   3.0394 -4.056950 4.583756 
1 1 1    9    9   10 o  247.816   13.145  7386.65  766.501  7766.60  1084.56  7007.50  1083.43  251.967   18.355  238.796   19.381 13.17168 26.69291 
1 1 1    9    9   11 o   39.259   2.3508  182.725   21.692  213.200   30.767  152.600   30.589   42.360   3.0973   35.738   3.6771 6.622066 4.807750 
1 1 1    9    9   12 o   35.143   2.3177  146.543   19.126  152.500   27.064  140.600   27.032   35.772   3.2390   34.321   3.3793 1.450886 4.680903 
1 1 1    9    9   13 o   34.151   2.3121  138.421   18.535  145.900   26.176  130.900   26.251   34.985   3.2041   33.099   3.4073 1.885864 4.677164 
1 1 1    9    9   14 o  171.659   13.240  3577.80  532.530  3577.80  532.530   0.0000   0.0000  171.659   13.240  ?   ?  0.000000 13.23984 
1 1 1    9    9   15 o  151.447   8.4133  2742.55  299.692  3071.20  423.445  2412.70  424.214  159.506   11.316  140.801   12.903 18.70583 17.16168 
1 1 1    9    9   16 o   62.451   3.5910  462.871   52.733  513.700   74.560  412.000   74.590   65.671   4.8422   58.696   5.4435 6.975243 7.285536 
1 1 1    9    9   17 o  159.423   8.6687  3044.69  325.111  3132.10  459.160  2956.80  460.394  160.584   12.200  155.849   12.618 4.735199 17.55178 
1 1 1    9    9   18 o   22.339   1.8763   59.368   9.8058   44.100   13.876   74.600   13.859   19.053   3.1974   25.012   2.3750 -5.959599 3.982978 
1 1 1    9    9   19 o   9.6291   1.5492   11.229   3.4031   12.100   4.8737   10.400   4.7540   9.9289   2.1417   9.1979   2.2152 0.7310266 3.081219 
1 1 1    9    9   20 o  149.935   7.9484  2691.28  280.408  3007.60  396.697  2375.40  396.416  157.661   10.719  139.536   12.152 18.12503 16.20432 
1 1 1    9    9   21 o  105.567   5.7489  1327.71  142.768  1415.90  201.893  1239.50  201.917  108.598   7.9277  101.439   8.5082 7.159149 11.62915 
1 1 1    9    9   22 o   14.787   1.5259   26.102   5.2514   30.500   7.5126   21.900   7.3434   15.936   2.0435   13.408   2.4078 2.527344 3.158100 
1 1 1    9    9   23 o   84.119   4.7453  842.107   93.873  990.000  132.686  693.900  132.827   90.988   6.2127   75.848   7.5151 15.14065 9.750624 
1 1 1    9    9   24 o  117.954   6.3984  1663.42  177.551  1656.50  250.539  1670.40  251.654  116.957   9.1445  117.449   9.1460 -0.4920197 12.93331 
1 1 1    9    9   25 o   48.473   2.9409  279.076   33.503  288.900   47.318  269.200   47.444   49.185   4.1118   47.443   4.2811 1.742157 5.935868 
1 1 1    9    9   26 o   78.942   4.4971  742.828   83.485  781.700  117.798  703.600  118.335   80.644   6.2343   76.395   6.6253 4.248817 9.097359 
1 1 1    9    9   27 o  106.968   5.7821  1371.96  145.507  1330.10  205.305  1414.20  206.255  104.439   8.3957  107.801   8.1630 -3.361992 11.70995 
1 1 1    9    9   28 f   87.321   4.4667  910.756   91.792  793.400  129.138  1030.60  130.500   80.850   6.8280   92.484   6.0081 -11.63461 9.095023 
1 1 1    9    9   29 o   96.522   5.3945  1121.11  122.461  1146.90  172.821  1095.10  173.553   96.733   7.6278   94.407   7.8565 2.326752 10.95022 
1 1 1    9    9   30 f   26.063   1.9644   80.863   12.001   72.900   16.933   88.900   17.012   24.600   2.9754   27.245   2.6789 -2.645664 4.003719 
1 1 1    9    9   31 o   14.009   1.6655   23.549   5.4017   23.400   7.6114   23.700   7.6674   13.848   2.4154   13.939   2.4171 -0.9046745E-01 3.417149 
1 1 1    9    9   32 o   86.437   4.9202  904.679  100.010  951.800  141.242  857.300  141.629   87.645   6.8799   82.905   7.3093 4.739304 10.03785 
1 1 1    9    9   33 o   55.642   3.2767  370.877   42.862  367.000   60.437  374.800   60.798   54.934   4.7044   55.527   4.6805 -0.5927124 6.636191 
1 1 1    9    9   34 o   38.185   2.4420  174.044   21.904  164.500   30.886  183.700   31.068   36.882   3.5919   39.039   3.4042 -2.156178 4.948808 
1 1 1    9    9   35 o   44.728   2.8192  239.567   29.624  255.800   41.808  223.200   41.982   45.941   3.8905   42.796   4.2086 3.144318 5.731358 
1 1 1    9    9   36 o   48.919   2.9732  287.204   34.182  289.200   48.289  285.200   48.393   48.686   4.2427   48.331   4.2848 0.3556290 6.029912 
1 1 1    9    9   37 o   9.9051   1.6703   11.954   3.7678   11.800   5.3931   12.100   5.2662   9.7590   2.3650   9.8846   2.2995 -0.1256227 3.298666 
1 1 1    9    9   38 o   70.998   4.1636  618.027   69.498  645.300   98.147  590.600   98.424   71.267   5.8848   67.896   6.2077 3.371262 8.553718 
1 1 1    9    9   39 o   18.234   1.7359   39.896   7.3842   49.100   10.474   30.800   10.412   20.150   2.2392   15.753   2.9061 4.396408 3.668711 
1 1 1    9    9   40 o   17.776   1.7640   38.008   7.3066   46.200   10.328   29.800   10.338   19.505   2.2857   15.452   2.9409 4.053226 3.724667 
1 1 1    9    9   41 o   41.262   2.6633  206.571   25.811  248.700   36.494  164.400   36.512   44.884   3.4702   35.961   4.3908 8.922112 5.596584 
1 1 1    9    9   42 o   12.675   1.6122   19.451   4.7162   24.600   6.7715   14.600   6.5725   14.176   2.0852   10.774   2.6108 3.401895 3.341252 
1 1 1    9    9   43 o   14.008   1.5888   23.690   5.1626   31.300   7.4071   16.500   7.1993   16.038   1.9993   11.436   2.7079 4.601848 3.365951 
1 1 1    9    9   44 o   23.751   1.8910   68.020   10.518   78.900   14.930   57.300   14.820   25.395   2.5231   21.438   3.0105 3.957666 3.927992 
1 1 1    9    9   45 f   20.821   2.6927   53.700   12.929   53.700   12.929   0.0000   0.0000   20.821   2.6927  ?   ?  0.000000 2.692686 
1 1 1    9    9   46 o   21.297   2.7181   56.500   13.358   56.500   13.358   0.0000   0.0000   21.297   2.7181  ?   ?  0.000000 2.718146 
1 1 1    9    9   47 o   13.037   2.5131   21.500   7.4558   21.500   7.4558   0.0000   0.0000   13.037   2.5131  ?   ?  0.000000 2.513077 
1 1 1    9    9   48 o   17.272   2.6117   37.700   10.319   37.700   10.319   0.0000   0.0000   17.272   2.6117  ?   ?  0.000000 2.611670 
1 1 1    9    9   49 o   33.467   3.5088  146.800   27.316  146.800   27.316   0.0000   0.0000   33.467   3.5088  ?   ?  0.000000 3.508776 
1 1 1    9    9   50 o   11.993   2.5038   18.500   6.8618   18.500   6.8618   0.0000   0.0000   11.993   2.5038  ?   ?  0.000000 2.503847 
1 1 1    9    9   51 o   12.669   2.5644   20.800   7.4082   20.800   7.4082   0.0000   0.0000   12.669   2.5644  ?   ?  0.000000 2.564360 
1 1 1    9    9   52 o   5.4979   1.9963   3.2000   3.3470   3.2000   3.3470   0.0000   0.0000   5.4979   1.9963  ?   ?  0.000000 1.996273 
1 1 1    9    9   53 o   15.703   2.7019   33.300   9.6574   33.300   9.6574   0.0000   0.0000   15.703   2.7019  ?   ?  0.000000 2.701911 
1 1 1    9    9   54 o  ?   ?   -7.8000   0.8040  -7.8000   0.8040   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9    9   55 f   7.5439   2.2968   7.8000   4.4587   7.8000   4.4587   0.0000   0.0000   7.5439   2.2968  ?   ?  0.000000 2.296820 
1 1 1    9    9   56 o   5.3231   2.0545   2.9000   3.6589   2.9000   3.6589   0.0000   0.0000   5.3231   2.0545  ?   ?  0.000000 2.054466 
1 1 1    9   10    0 o   30.765   3.1698  115.300   22.468  115.300   22.468  115.300   22.468   30.765   3.1698   30.765   3.1698 0.000000 0.000000 
1 1 1    9   10    1 o  341.904   16.803 14055.18  1356.61 15986.00  1924.50 12148.10  1912.63  361.339   22.670  312.961   26.120 48.37781 34.58538 
1 1 1    9   10    2 o  365.246   19.850 16204.32  1705.62 16613.70  2409.41 15793.10  2414.81  364.747   28.193  354.981   29.063 9.766052 40.49077 
1 1 1    9   10    3 o  204.128   10.781  4971.98  517.815  5194.70  732.753  4749.80  731.850  207.647   15.046  198.314   15.758 9.332611 21.78767 
1 1 1    9   10    4 o  360.704   19.356 15807.97  1642.60 15552.30  2319.91 16065.00  2326.08  352.330   28.118  358.421   27.698 -6.091827 39.46951 
1 1 1    9   10    5 o  310.548   16.237 11637.67  1186.52 10292.20  1677.01 12986.30  1678.97  287.797   24.923  325.229   21.991 -37.43277 33.23796 
1 1 1    9   10    6 o  111.509   6.0254  1476.49  158.067  1521.10  223.573  1431.90  223.509  112.882   8.4488  109.463   8.7193 3.418724 12.14116 
1 1 1    9   10    7 o  123.107   6.5540  1800.71  189.840  1672.70  268.328  1929.00  268.620  118.183   9.7005  127.086   9.0096 -8.902290 13.23906 
1 1 1    9   10    8 o  328.975   17.625 13158.16  1364.15 14034.80  1929.79 12282.60  1928.60  335.324   24.542  312.272   26.402 23.05185 36.04679 
1 1 1    9   10    9 o  367.441   19.826 16568.79  1713.83 17025.90  2427.08 16114.20  2420.36  365.403   28.351  354.692   29.156 10.71130 40.66739 
1 1 1    9   10   10 o   20.060   1.7910   47.903   8.3942   42.500   11.875   53.300   11.867   18.765   2.7626   21.102   2.4258 -2.336851 3.676409 
1 1 1    9   10   11 f  101.868   5.5126  1232.87  132.111  1361.00  186.858  1104.80  186.809  106.783   7.4573   96.016   8.3217 10.76727 11.17415 
1 1 1    9   10   12 o  185.348   9.8904  4114.64  431.313  4037.40  609.734  4192.00  610.204  182.197   14.287  185.774   14.013 -3.576736 20.01197 
1 1 1    9   10   13 o   56.456   3.2691  378.087   43.395  419.100   61.379  337.100   61.359   59.342   4.4117   53.122   4.9484 6.220181 6.629508 
1 1 1    9   10   14 o  201.798   15.672  4993.80  740.932  4993.80  740.932   0.0000   0.0000  201.798   15.672  ?   ?  0.000000 15.67179 
1 1 1    9   10   15 o  108.016   5.9704  1388.74  151.693  1523.30  214.377  1253.80  214.676  112.775   8.1041  102.079   8.9981 10.69668 12.10962 
1 1 1    9   10   16 o  144.597   7.9023  2499.44  268.798  2598.10  379.592  2400.20  380.687  146.584   11.048  140.701   11.560 5.882874 15.99029 
1 1 1    9   10   17 o  196.983   10.818  4680.81  501.290  5028.00  708.313  4332.40  709.552  202.272   14.935  187.021   16.228 15.25047 22.05444 
1 1 1    9   10   18 o  137.283   7.3970  2251.96  238.907  2396.40  337.858  2107.50  337.874  140.885   10.225  131.856   10.951 9.028107 14.98245 
1 1 1    9   10   19 o   74.795   4.0607  664.349   71.451  756.900  101.130  572.100  100.965   79.683   5.4067   69.097   6.2558 10.58604 8.268422 
1 1 1    9   10   20 o   92.892   5.0760  1026.53  110.922  1130.00  156.879  923.100  156.855   97.180   6.8809   87.637   7.6565 9.542671 10.29409 
1 1 1    9   10   21 f   23.488   1.8039   65.561   9.9284   75.000   14.108   56.300   13.974   25.074   2.4126   21.641   2.8003 3.433277 3.696216 
1 1 1    9   10   22 o  118.421   6.4160  1674.60  178.744  1830.30  252.779  1518.90  252.786  123.241   8.7428  111.955   9.6564 11.28514 13.02624 
1 1 1    9   10   23 o   54.060   3.1556  346.984   40.107  366.200   56.744  327.800   56.697   55.405   4.3728   52.365   4.6329 3.039536 6.370646 
1 1 1    9   10   24 o   67.843   3.7861  547.060   60.413  569.900   85.512  524.300   85.361   69.037   5.2856   66.163   5.5138 2.873764 7.638070 
1 1 1    9   10   25 f  114.416   6.3748  1568.22  171.548  1672.20  242.231  1463.60  242.982  117.410   8.8010  109.562   9.4854 7.847496 12.93954 
1 1 1    9   10   26 o   46.144   2.8226  253.008   30.608  254.900   43.193  251.100   43.380   46.169   4.0015   45.813   4.0517 0.3553963 5.694549 
1 1 1    9   10   27 o   64.235   3.5428  491.109   53.531  452.500   75.375  530.400   76.037   61.348   5.2538   66.532   4.8738 -5.184219 7.166337 
1 1 1    9   10   28 o   92.592   5.1353  1028.37  111.840  1034.00  157.857  1022.70  158.475   92.111   7.3178   91.575   7.3916 0.5363159 10.40129 
1 1 1    9   10   29 o   52.585   3.0376  329.340   37.558  303.500   52.953  355.500   53.279   50.202   4.5152   54.436   4.1767 -4.233883 6.150723 
1 1 1    9   10   30 o   63.007   3.6471  474.676   54.030  481.600   76.268  467.700   76.553   63.073   5.1661   62.119   5.2685 0.9536018 7.378761 
1 1 1    9   10   31 o   86.508   4.8144  903.099   97.957  890.800  138.247  915.500  138.818   84.931   6.9543   86.145   6.8816 -1.214279 9.783611 
1 1 1    9   10   32 o   31.933   2.2248  121.554   16.671  115.100   23.584  128.000   23.570   30.892   3.2834   32.631   3.0959 -1.739092 4.512762 
1 1 1    9   10   33 o   64.249   3.6581  495.958   55.270  479.100   77.951  513.000   78.377   62.543   5.3290   64.801   5.1649 -2.258152 7.421230 
1 1 1    9   10   34 o   33.277   2.2726  132.157   17.751  136.300   25.082  128.000   25.126   33.624   3.1974   32.550   3.3152 1.074654 4.605881 
1 1 1    9   10   35 o   45.737   2.8105  250.490   30.208  247.000   42.662  254.000   42.778   45.080   4.0510   45.735   4.0013 -0.6548233 5.693978 
1 1 1    9   10   36 o   54.734   3.3175  360.883   42.675  410.400   60.302  311.200   60.403   57.939   4.4414   50.092   5.1815 7.846733 6.824459 
1 1 1    9   10   37 o   41.603   2.6924  207.773   26.308  234.300   37.154  181.100   37.256   43.909   3.6155   38.376   4.1787 5.532177 5.525731 
1 1 1    9   10   38 o   39.669   2.5644  189.157   23.892  192.100   33.748  186.200   33.830   39.623   3.6479   38.977   3.7208 0.6454124 5.210743 
1 1 1    9   10   39 o   25.013   1.9924   75.084   11.671   84.700   16.476   65.400   16.534   26.412   2.6788   23.055   3.1170 3.357151 4.109884 
1 1 1    9   10   40 o   32.311   2.2387  125.685   16.975  153.000   24.013   98.400   24.000   35.446   2.8942   28.082   3.7101 7.363539 4.705402 
1 1 1    9   10   41 o   19.787   1.7975   47.116   8.3070   55.000   11.773   39.300   11.723   21.248   2.3878   17.780   2.8916 3.468765 3.750028 
1 1 1    9   10   42 o   23.264   1.9295   65.220   10.504   77.000   14.842   53.400   14.867   25.116   2.5373   20.678   3.1439 4.438690 4.040082 
1 1 1    9   10   43 o   17.747   1.7561   38.000   7.2628   45.000   10.271   31.000   10.271   19.188   2.3136   15.721   2.8727 3.466650 3.688469 
1 1 1    9   10   44 o   6.9417   1.6919   5.9872   2.7480   11.400   3.9093   0.7000   3.8637   9.6112   1.7883   4.8793   2.0296 4.731911 2.705046 
1 1 1    9   10   45 o   10.232   2.4147   13.200   5.7403   13.200   5.7403   0.0000   0.0000   10.232   2.4147  ?   ?  0.000000 2.414723 
1 1 1    9   10   46 o   7.5314   1.7342   7.0764   3.0205   6.3000   4.3487   7.8000   4.1984   7.2300   2.2798   7.8990   2.1797 -0.6689596 3.154124 
1 1 1    9   10   47 o   35.027   3.5532  157.900   28.983  157.900   28.983   0.0000   0.0000   35.027   3.5532  ?   ?  0.000000 3.553233 
1 1 1    9   10   48 o   42.974   4.2629  249.600   42.688  249.600   42.688   0.0000   0.0000   42.974   4.2629  ?   ?  0.000000 4.262906 
1 1 1    9   10   49 o   22.186   2.8048   62.700   14.366   62.700   14.366   0.0000   0.0000   22.186   2.8048  ?   ?  0.000000 2.804809 
1 1 1    9   10   50 o   17.618   2.6205   39.600   10.570   39.600   10.570   0.0000   0.0000   17.618   2.6205  ?   ?  0.000000 2.620525 
1 1 1    9   10   51 o   13.134   2.5241   22.300   7.5439   22.300   7.5439   0.0000   0.0000   13.134   2.5241  ?   ?  0.000000 2.524098 
1 1 1    9   10   52 o   19.639   2.7951   50.900   12.596   50.900   12.596   0.0000   0.0000   19.639   2.7951  ?   ?  0.000000 2.795062 
1 1 1    9   10   53 o   3.9372   1.6264   0.7000   2.4567   0.7000   2.4567   0.0000   0.0000   3.9372   1.6264  ?   ?  0.000000 1.626430 
1 1 1    9   10   54 o   7.2978   2.3655   7.1000   4.6571   7.1000   4.6571   0.0000   0.0000   7.2978   2.3655  ?   ?  0.000000 2.365458 
1 1 1    9   10   55 o   2.6220   1.2191  -1.5000   1.8242  -1.5000   1.8242   0.0000   0.0000   2.6220   1.2191  ?   ?  0.000000 1.219110 
1 1 1    9   10   56 o   3.9986   1.8909  -4.3000   4.7173  -4.3000   4.7173   0.0000   0.0000   3.9986   1.8909  ?   ?  0.000000 1.890938 
1 1 1    9   11    0 o   42.675   3.8710  220.400   38.271  220.400   38.271  220.400   38.271   42.675   3.8710   42.675   3.8710 -0.000000 0.000000 
1 1 1    9   11    1 o  253.245   13.476  7694.06  802.994  7470.60  1135.26  7917.80  1135.95  247.362   19.596  254.944   19.006 -7.581772 27.29880 
1 1 1    9   11    2 o  218.529   11.652  5711.05  599.109  5630.20  847.265  5791.90  847.272  215.509   16.781  218.683   16.530 -3.174088 23.55522 
1 1 1    9   11    3 o  323.367   17.323 12661.61  1317.97 12049.80  1863.52 13273.90  1864.26  310.894   25.612  327.238   24.299 -16.34482 35.30465 
1 1 1    9   11    4 o  237.034   12.584  6734.34  701.808  6480.60  992.094  6988.50  992.919  230.571   18.374  239.767   17.662 -9.196030 25.48611 
1 1 1    9   11    5 o  230.301   12.265  6356.33  664.612  6567.80  940.063  6145.00  939.743  232.454   17.249  224.573   17.869 7.881287 24.83599 
1 1 1    9   11    6 o  312.939   16.573 11864.75  1220.35 12856.50  1726.75 10875.10  1724.93  322.168   22.846  294.816   25.014 27.35214 33.87646 
1 1 1    9   11    7 o  155.820   8.2383  2892.12  302.049  3087.50  427.418  2697.20  426.907  160.392   11.359  149.670   12.185 10.72232 16.65803 
1 1 1    9   11    8 o  110.516   5.0701  1445.63  132.315  1783.80  188.214  1115.20  186.047  122.493   6.5306   96.528   8.2412 25.96478 10.51502 
1 1 1    9   11    9 o   81.061   4.5195  779.848   86.165  769.200  122.130  790.400  121.582   80.280   6.4982   81.402   6.3761 -1.121979 9.103920 
1 1 1    9   11   10 f  253.789   13.637  7782.33  814.257  7824.00  1151.79  7740.70  1151.27  251.487   19.549  250.076   19.654 1.410797 27.72095 
1 1 1    9   11   11 o  161.918   8.6765  3131.90  330.537  3142.60  467.431  3121.20  467.470  161.234   12.371  160.667   12.418 0.5676727 17.52880 
1 1 1    9   11   12 o   83.841   4.5605  834.575   89.948  956.100  127.245  713.200  127.167   89.579   6.0510   77.161   7.0575 12.41732 9.296406 
1 1 1    9   11   13 o  234.677   12.871  6664.56  710.545  6922.80  1003.39  6404.80  1006.34  236.427   18.110  226.858   18.960 9.568832 26.21926 
1 1 1    9   11   14 f  241.484   13.374  7077.90  759.636  7822.90  1073.53  6330.80  1075.05  251.038   18.234  224.243   20.530 26.79472 27.45861 
1 1 1    9   11   15 o  102.621   5.6894  1253.23  137.329  1365.00  194.057  1141.10  194.370  106.766   7.7500   97.415   8.5358 9.351677 11.52922 
1 1 1    9   11   16 o  171.365   9.5297  3527.12  384.099  3947.00  542.698  3105.70  543.698  180.092   12.846  158.917   14.654 21.17561 19.48697 
1 1 1    9   11   17 o  128.512   7.0263  1971.49  212.413  2078.30  300.136  1864.30  300.660  131.307   9.7494  124.162   10.349 7.145424 14.21809 
1 1 1    9   11   18 o  125.461   6.7993  1878.49  200.685  2020.80  283.771  1736.10  283.852  129.544   9.3392  119.811   10.128 9.732780 13.77664 
1 1 1    9   11   19 o   72.277   4.0443  620.487   68.748  659.400   97.239  581.600   97.208   74.322   5.5815   69.716   5.9622 4.605392 8.167029 
1 1 1    9   11   20 o   45.199   2.7666  242.451   29.386  247.000   41.556  237.900   41.561   45.508   3.9049   44.647   3.9840 0.8615913 5.578609 
1 1 1    9   11   21 o   44.073   2.6716  230.507   27.673  259.100   39.165  202.000   39.106   46.650   3.5827   41.094   4.0840 5.555664 5.432802 
1 1 1    9   11   22 o  160.390   8.6256  3093.66  325.485  3054.30  460.068  3133.10  460.543  157.826   12.446  159.934   12.289 -2.107986 17.49017 
1 1 1    9   11   23 o  124.186   6.7319  1845.46  196.674  1858.50  278.031  1832.40  278.247  123.787   9.5865  122.882   9.6672 0.9044800 13.61450 
1 1 1    9   11   24 o  168.711   9.1665  3444.49  363.812  3554.90  514.405  3334.00  514.612  169.378   12.960  163.722   13.429 5.656326 18.66277 
1 1 1    9   11   25 o   32.696   2.2687  127.023   17.407  118.400   24.651  135.600   24.585   31.434   3.3739   33.696   3.1254 -2.262098 4.599013 
1 1 1    9   11   26 o   47.750   2.8887  271.005   32.418  268.500   45.895  273.500   45.796   47.360   4.1456   47.810   4.0960 -0.4496269 5.827758 
1 1 1    9   11   27 o   74.483   4.1917  662.089   73.425  660.800  103.397  663.400  104.285   74.008   5.9673   74.143   6.0081 -0.1351547 8.467929 
1 1 1    9   11   28 o   34.960   2.3494  145.373   19.283  150.900   27.214  139.800   27.326   35.500   3.2836   34.134   3.4369 1.365765 4.753380 
1 1 1    9   11   29 o   82.575   4.5464  818.000   88.309  783.700  124.617  852.600  125.161   80.102   6.6483   83.677   6.3824 -3.574677 9.216057 
1 1 1    9   11   30 o   54.037   3.2307  348.656   41.035  355.400   57.795  341.800   58.273   54.264   4.5525   53.173   4.6890 1.090618 6.535464 
1 1 1    9   11   31 o   25.818   1.9647   79.419   11.888   75.800   16.742   83.100   16.883   25.086   2.8785   26.301   2.7596 -1.214699 3.987625 
1 1 1    9   11   32 o   83.811   4.4352  847.959   87.462  738.900  123.303  958.400  124.082   77.051   6.8483   88.338   5.9837 -11.28686 9.094146 
1 1 1    9   11   33 o   38.866   2.4152  180.190   22.057  165.300   31.028  195.400   31.360   36.984   3.5985   40.301   3.3250 -3.317825 4.899436 
1 1 1    9   11   34 o   42.316   2.6730  214.117   26.572  218.600   37.508  209.600   37.649   42.496   3.7772   41.577   3.8795 0.9187965 5.414612 
1 1 1    9   11   35 o  100.607   5.8036  1253.74  137.292  1422.00  194.051  1085.10  194.268  105.150   7.8724   90.432   9.2267 14.71857 12.12874 
1 1 1    9   11   36 o   27.339   2.0746   89.342   13.293  102.600   18.769   76.000   18.829   29.179   2.7566   24.959   3.2736 4.220095 4.279695 
1 1 1    9   11   37 o   41.226   2.6763  204.178   25.912  230.100   36.591  178.100   36.701   43.485   3.5957   38.025   4.1549 5.459511 5.494807 
1 1 1    9   11   38 f   23.725   1.9194   67.441   10.661   75.700   15.086   59.200   15.069   25.003   2.5928   21.984   2.9796 3.019146 3.949777 
1 1 1    9   11   39 o   31.010   2.2242  115.642   16.178  127.100   22.838  104.100   22.922   32.274   3.0323   29.055   3.4054 3.218296 4.559783 
1 1 1    9   11   40 o   22.501   1.8797   60.842   9.8958   59.500   13.954   62.200   14.035   22.035   2.7412   22.551   2.6887 -0.5162849 3.839689 
1 1 1    9   11   41 f   16.421   1.7328   32.521   6.6178   43.500   9.3715   21.600   9.3464   18.929   2.1338   13.058   3.0809 5.871111 3.747715 
1 1 1    9   11   42 o   33.904   2.3092  139.068   18.377  179.700   26.000   98.500   25.979   38.307   2.8956   27.778   4.0823 10.52924 5.005002 
1 1 1    9   11   43 o   43.984   2.8144  236.634   29.077  296.400   41.110  176.800   41.133   48.724   3.5985   36.746   4.8597 11.97787 6.046934 
1 1 1    9   11   44 o   23.504   1.9564   66.745   10.760   73.500   15.167   59.900   15.267   24.443   2.6712   21.909   3.0324 2.534006 4.041129 
1 1 1    9   11   45 o   19.199   1.8114   44.612   8.1147   51.300   11.466   37.900   11.486   20.412   2.4262   17.344   2.9075 3.068518 3.786833 
1 1 1    9   11   46 o   38.394   2.6279  181.858   23.682  224.000   33.449  139.500   33.534   42.040   3.3985   32.284   4.5230 9.756321 5.657536 
1 1 1    9   11   47 o   6.5365   2.1594   5.0000   3.8740   5.0000   3.8740   0.0000   0.0000   6.5365   2.1594  ?   ?  0.000000 2.159410 
1 1 1    9   11   48 o   15.246   2.5588   29.500   8.8857   29.500   8.8857   0.0000   0.0000   15.246   2.5588  ?   ?  0.000000 2.558786 
1 1 1    9   11   49 o   27.265   3.1052   95.800   19.635   95.800   19.635   0.0000   0.0000   27.265   3.1052  ?   ?  0.000000 3.105194 
1 1 1    9   11   50 f   4.2922   1.7262   1.1000   2.6802   1.1000   2.6802   0.0000   0.0000   4.2922   1.7262  ?   ?  0.000000 1.726216 
1 1 1    9   11   51 o   8.3557   2.2884   9.0000   4.6480   9.0000   4.6480   0.0000   0.0000   8.3557   2.2884  ?   ?  0.000000 2.288385 
1 1 1    9   11   52 o   21.213   2.8696   60.000   14.005   60.000   14.005   0.0000   0.0000   21.213   2.8696  ?   ?  0.000000 2.869593 
1 1 1    9   11   53 o   14.303   2.6623   27.900   8.6613   27.900   8.6613   0.0000   0.0000   14.303   2.6623  ?   ?  0.000000 2.662330 
1 1 1    9   11   54 o  ?   ?   -2.5000   0.6748  -2.5000   0.6748   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   11   55 o   6.0011   2.1557   4.4000   3.8896   4.4000   3.8896   0.0000   0.0000   6.0011   2.1557  ?   ?  0.000000 2.155735 
1 1 1    9   11   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   12    0 o   83.455   6.6865  839.500  129.823  839.500  129.823  839.500  129.823   83.455   6.6865   83.455   6.6865 0.000000 0.000000 
1 1 1    9   12    1 o  381.560   20.793 17846.75  1866.40 17831.80  2639.44 17861.70  2639.55  373.967   30.145  374.306   30.118 -0.3390503 42.61290 
1 1 1    9   12    2 o  303.495   16.311 11145.85  1164.68 11066.70  1647.06 11225.00  1647.14  298.536   23.556  300.787   23.374 -2.251007 33.18449 
1 1 1    9   12    3 o  221.536   11.830  5879.56  616.626  5863.40  872.190  5895.70  871.893  219.576   16.953  220.205   16.897 -0.6291809 23.93513 
1 1 1    9   12    4 o  229.493   11.619  6307.17  627.612  7359.30  888.458  5259.20  886.698  246.696   15.327  207.307   18.301 39.38905 23.87181 
1 1 1    9   12    5 o  168.607   8.9456  3390.10  354.888  3129.00  501.745  3651.50  502.031  160.980   13.319  174.260   12.279 -13.27956 18.11525 
1 1 1    9   12    6 o   66.734   3.7821  528.200   59.354  529.500   83.946  526.900   83.933   66.661   5.3787   66.495   5.3919 0.1667175 7.615973 
1 1 1    9   12    7 o  294.678   15.390 10522.71  1067.21 11299.80  1512.34  9751.90  1506.21  301.875   21.354  279.242   23.048 22.63345 31.41990 
1 1 1    9   12    8 o  149.954   8.1575  2681.48  287.768  2515.80  407.368  2846.50  406.564  144.379   12.059  153.837   11.270 -9.458527 16.50587 
1 1 1    9   12    9 o  146.689   7.2113  2555.52  249.789  3030.20  353.920  2084.40  352.593  159.124   9.4617  131.413   11.478 27.71074 14.87483 
1 1 1    9   12   10 o   95.399   4.9953  1080.71  112.138  1223.60  158.808  938.600  158.369  101.312   6.6755   88.525   7.6512 12.78736 10.15401 
1 1 1    9   12   11 o  331.942   17.862 13571.45  1394.96 14740.10  1973.79 12405.20  1971.76  339.615   24.783  308.948   27.309 30.66690 36.87793 
1 1 1    9   12   12 o   45.335   2.6332  243.702   28.068  208.900   39.554  279.000   39.835   41.822   4.0561   48.446   3.5059 -6.623230 5.361281 
1 1 1    9   12   13 o  280.822   14.714  9616.01  972.324  8991.70  1372.19 10245.60  1377.98  266.378   22.012  285.657   20.566 -19.27893 30.12469 
1 1 1    9   12   14 f  239.875   13.230  6990.54  746.492  7427.50  1054.69  6551.90  1056.72  244.110   18.433  228.274   19.800 15.83580 27.05183 
1 1 1    9   12   15 o   93.050   5.0235  1029.25  109.969  990.100  155.218  1068.70  155.824   90.914   7.2916   94.521   7.0317 -3.607780 10.12974 
1 1 1    9   12   16 o   51.506   3.0598  314.803   37.048  315.500   52.284  314.100   52.503   51.432   4.3456   51.314   4.3748 0.1186943 6.166290 
1 1 1    9   12   17 o  160.481   8.6791  3087.91  327.676  3122.40  462.673  3053.20  464.137  160.149   12.329  158.281   12.520 1.868118 17.57188 
1 1 1    9   12   18 o  183.883   9.8709  4071.00  427.040  4461.80  603.963  3680.30  603.891  190.967   13.480  172.648   14.961 18.31903 20.13774 
1 1 1    9   12   19 o   73.270   4.0974  637.742   70.608  705.200   99.861  570.300   99.850   76.876   5.5382   68.989   6.1952 7.886116 8.309739 
1 1 1    9   12   20 o  123.931   6.6437  1833.86  193.717  2024.00  274.021  1643.90  273.893  129.626   9.0081  116.464   10.058 13.16228 13.50217 
1 1 1    9   12   21 o  201.186   10.900  4909.77  515.906  5218.70  729.571  4600.80  729.631  204.917   15.186  191.632   16.278 13.28471 22.26156 
1 1 1    9   12   22 o  105.905   5.7744  1337.86  143.862  1446.40  203.439  1229.30  203.463  109.654   7.9099  100.863   8.6256 8.791832 11.70335 
1 1 1    9   12   23 o  156.517   8.4264  2951.57  310.287  3151.40  438.898  2751.90  438.726  160.294   11.676  149.297   12.561 10.99698 17.14956 
1 1 1    9   12   24 o  107.512   5.8403  1381.91  147.713  1470.60  208.943  1293.30  208.853  110.306   8.0778  103.230   8.6476 7.076653 11.83351 
1 1 1    9   12   25 o   80.436   4.4744  771.349   84.649  756.300  119.706  786.400  119.718   79.232   6.4542   80.836   6.3222 -1.603447 9.034746 
1 1 1    9   12   26 o  101.449   5.5713  1233.76  132.954  1217.70  188.087  1249.80  187.965   99.979   8.0348  101.340   7.9176 -1.361771 11.28036 
1 1 1    9   12   27 o   33.193   2.2644  131.010   17.643  128.400   24.999  133.600   24.903   32.732   3.2784   33.406   3.1959 -0.6743469 4.578350 
1 1 1    9   12   28 o   16.864   1.6149   33.935   6.3519   37.400   9.0707   30.600   8.8977   17.634   2.2281   15.888   2.4505 1.746067 3.311989 
1 1 1    9   12   29 o   68.950   3.8538  568.744   62.495  547.000   88.069  590.800   88.698   67.126   5.6074   69.840   5.4208 -2.713524 7.799251 
1 1 1    9   12   30 f   77.983   4.4322  731.466   81.281  744.600  114.661  718.200  115.239   77.971   6.2808   76.498   6.4394 1.473503 8.995261 
1 1 1    9   12   31 o   53.350   3.1822  340.420   39.906  347.300   56.352  333.500   56.519   53.550   4.4981   52.435   4.6116 1.115173 6.442053 
1 1 1    9   12   32 o   25.494   1.9730   77.503   11.785   78.400   16.636   76.600   16.698   25.514   2.8078   25.207   2.8557 0.3067799 4.004776 
1 1 1    9   12   33 o   30.947   2.1816  114.255   15.840  114.900   22.320  113.600   22.484   30.873   3.1036   30.687   3.1473 0.1858444 4.420188 
1 1 1    9   12   34 o   64.565   3.6926  502.364   56.064  485.900   79.082  519.000   79.494   62.785   5.3862   64.981   5.2248 -2.196060 7.504005 
1 1 1    9   12   35 o   67.108   3.9227  545.233   61.891  573.100   87.397  517.200   87.657   68.016   5.4883   64.403   5.8271 3.613541 8.004724 
1 1 1    9   12   36 o   50.157   3.1024  302.798   36.564  332.400   51.624  273.000   51.794   52.145   4.2289   47.022   4.7287 5.123219 6.343870 
1 1 1    9   12   37 o   19.466   1.8023   45.407   8.1905   46.800   11.553   44.000   11.613   19.624   2.5537   18.994   2.6624 0.6298332 3.689166 
1 1 1    9   12   38 o   25.284   1.9533   76.610   11.572   90.400   16.389   62.900   16.341   27.340   2.5686   22.614   3.1453 4.726400 4.060864 
1 1 1    9   12   39 o   7.8644   1.7605   7.6549   3.1879   12.100   4.4573   3.0000   4.5613   9.8976   1.9763   6.0190   2.3012 3.878550 3.033364 
1 1 1    9   12   40 o   27.469   2.0670   90.814   13.309  110.300   18.816   71.300   18.829   30.107   2.6745   23.906   3.4340 6.200729 4.352646 
1 1 1    9   12   41 o   18.426   1.7859   40.915   7.6730   46.300   10.836   35.500   10.867   19.460   2.4095   16.889   2.8246 2.571423 3.712711 
1 1 1    9   12   42 o   22.154   1.8987   59.165   9.8369   69.600   13.902   48.700   13.921   23.872   2.5034   19.740   3.0876 4.131306 3.975005 
1 1 1    9   12   43 o   24.706   1.9998   73.700   11.567   85.700   16.324   61.600   16.392   26.443   2.6500   22.173   3.2252 4.270100 4.174253 
1 1 1    9   12   44 o   37.859   2.5517  174.867   22.679  199.600   32.029  150.000   32.117   39.956   3.4279   34.224   4.0528 5.732212 5.308046 
1 1 1    9   12   45 o   20.077   1.9653   48.994   9.1978   69.300   12.931   28.200   13.086   23.783   2.3325   14.644   3.7637 9.139105 4.427887 
1 1 1    9   12   46 o   3.2654   1.3617   0.2644   1.7455   4.1000   2.3139  -4.8000   2.6588   5.7686   1.6278   2.6721   1.3023 3.096529 2.084616 
1 1 1    9   12   47 o   16.435   2.5957   34.100   9.7389   34.100   9.7389   0.0000   0.0000   16.435   2.5957  ?   ?  0.000000 2.595671 
1 1 1    9   12   48 o   19.856   2.7054   50.000   12.355   50.000   12.355   0.0000   0.0000   19.856   2.7054  ?   ?  0.000000 2.705382 
1 1 1    9   12   49 o   6.1922   2.0537   4.5000   3.5027   4.5000   3.5027   0.0000   0.0000   6.1922   2.0537  ?   ?  0.000000 2.053706 
1 1 1    9   12   50 f   11.829   2.5241   18.100   6.8357   18.100   6.8357   0.0000   0.0000   11.829   2.5241  ?   ?  0.000000 2.524100 
1 1 1    9   12   51 o   6.4914   2.1911   5.0000   3.9852   5.0000   3.9852   0.0000   0.0000   6.4914   2.1911  ?   ?  0.000000 2.191081 
1 1 1    9   12   52 o   21.936   2.9125   64.800   14.713   64.800   14.713   0.0000   0.0000   21.936   2.9125  ?   ?  0.000000 2.912486 
1 1 1    9   12   53 o   11.340   2.5075   17.600   6.5364   17.600   6.5364   0.0000   0.0000   11.340   2.5075  ?   ?  0.000000 2.507529 
1 1 1    9   12   54 o   6.9269   2.3212   6.3000   4.4722   6.3000   4.4722   0.0000   0.0000   6.9269   2.3212  ?   ?  0.000000 2.321199 
1 1 1    9   12   55 o   13.066   2.7746   24.800   8.2958   24.800   8.2958   0.0000   0.0000   13.066   2.7746  ?   ?  0.000000 2.774577 
1 1 1    9   12   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   13    0 o   31.512   3.2085  120.900   23.308  120.900   23.308  120.900   23.308   31.512   3.2085   31.512   3.2085 0.000000 0.000000 
1 1 1    9   13    1 o   70.171   3.8800  583.944   64.042  527.100   90.485  641.000   90.654   66.460   5.8245   73.401   5.2652 -6.941307 7.851562 
1 1 1    9   13    2 o  197.210   10.530  4652.13  488.612  4789.50  691.053  4514.80  690.952  198.864   14.823  192.889   15.295 5.974731 21.29910 
1 1 1    9   13    3 o  186.708   9.9812  4166.41  438.463  4137.10  620.203  4195.70  619.957  184.869   14.319  186.216   14.206 -1.347534 20.17028 
1 1 1    9   13    4 o  203.190   10.560  4940.79  504.949  4384.60  713.554  5498.70  714.661  189.686   16.082  213.234   14.276 -23.54764 21.50401 
1 1 1    9   13    5 o  150.678   7.8034  2704.35  276.698  2311.60  390.987  3098.40  391.633  138.393   12.085  160.793   10.370 -22.39977 15.92461 
1 1 1    9   13    6 o  159.853   8.7083  3050.11  327.473  2756.40  463.441  3343.00  462.793  150.875   13.139  166.630   11.839 -15.75493 17.68612 
1 1 1    9   13    7 o   97.120   4.6434  1116.33  106.490  1341.60  151.530  896.500  149.687  106.208   6.0671   86.565   7.3938 19.64337 9.564420 
1 1 1    9   13    8 o  144.580   7.6880  2492.00  261.527  2615.90  370.081  2368.40  369.630  147.489   10.699  140.161   11.263 7.328339 15.53467 
1 1 1    9   13    9 o  132.861   7.0399  2102.63  220.076  2262.50  311.453  1943.20  311.017  137.313   9.6672  127.023   10.462 10.28969 14.24462 
1 1 1    9   13   10 o   94.536   5.0431  1061.60  112.173  1186.90  158.762  936.700  158.510   99.742   6.7810   88.413   7.6684 11.32992 10.23647 
1 1 1    9   13   11 o   80.841   4.4951  776.071   85.470  743.500  120.912  808.600  120.833   78.862   6.5523   82.306   6.2642 -3.444160 9.064947 
1 1 1    9   13   12 o  130.012   6.9384  2014.76  212.243  2309.90  300.252  1720.00  300.061  138.754   9.2163  119.270   10.770 19.48375 14.17530 
1 1 1    9   13   13 o  284.820   15.645  9953.47  1048.21 10173.70  1480.81  9732.30  1483.98  282.505   22.381  275.711   23.004 6.793701 32.09483 
1 1 1    9   13   14 o   51.127   3.0585  310.174   36.756  326.200   51.942  294.100   52.019   52.319   4.2408   49.631   4.4871 2.688068 6.174026 
1 1 1    9   13   15 o   92.391   4.8970  1014.53  106.456  941.000  150.178  1088.80  150.927   88.613   7.2403   95.449   6.7396 -6.835472 9.891647 
1 1 1    9   13   16 o   55.493   3.2919  365.523   42.945  379.200   60.572  351.700   60.894   56.388   4.5889   54.264   4.8019 2.124092 6.641964 
1 1 1    9   13   17 o  162.277   8.8367  3159.92  337.341  3249.40  476.367  3069.90  477.782  163.295   12.448  158.525   12.875 4.770767 17.90825 
1 1 1    9   13   18 o   33.142   2.2366  130.393   17.402  139.100   24.619  121.700   24.601   34.156   3.0857   31.903   3.3138 2.252985 4.528010 
1 1 1    9   13   19 o  132.946   7.2066  2113.10  225.393  2175.50  318.614  2050.60  318.895  134.097   10.137  130.064   10.472 4.033432 14.57446 
1 1 1    9   13   20 o   48.733   2.8379  281.809   32.516  325.200   46.033  238.600   45.936   52.274   3.7542   44.651   4.4145 7.622883 5.795033 
1 1 1    9   13   21 o   10.627   1.6252   13.649   3.9487   13.700   5.6281   13.600   5.5415   10.560   2.3203   10.523   2.2948 0.3742218E-01 3.263407 
1 1 1    9   13   22 o  171.186   9.2750  3540.68  373.527  3741.60  528.208  3339.70  528.284  174.148   12.937  164.014   13.768 10.13367 18.89230 
1 1 1    9   13   23 o  155.556   8.4054  2918.91  307.605  2883.60  434.787  2954.30  435.251  152.869   12.145  154.820   11.999 -1.950775 17.07275 
1 1 1    9   13   24 o  152.018   8.2534  2793.80  295.163  3038.30  417.425  2549.30  417.422  156.956   11.339  143.059   12.482 13.89682 16.86293 
1 1 1    9   13   25 o  110.073   6.0163  1453.80  155.786  1458.20  220.231  1449.40  220.398  109.338   8.5993  108.992   8.6342 0.3457184 12.18593 
1 1 1    9   13   26 o   61.814   3.5589  455.106   51.728  477.000   73.145  433.200   73.164   63.036   4.9539   59.998   5.2160 3.037144 7.193628 
1 1 1    9   13   27 o   52.797   3.0823  331.872   38.262  351.100   54.150  312.700   54.070   54.109   4.2728   50.993   4.5378 3.115944 6.232862 
1 1 1    9   13   28 o   86.001   4.7139  887.916   95.363  928.300  135.005  847.700  134.724   87.260   6.6008   83.236   6.9171 4.024483 9.561204 
1 1 1    9   13   29 o  134.104   7.4168  2214.82  233.953  2280.10  330.946  2149.60  330.773  133.260   10.605  129.023   10.961 4.237488 15.25106 
1 1 1    9   13   30 o   36.620   2.3230  159.694   19.984  170.900   28.333  148.600   28.192   37.747   3.2090   35.136   3.4420 2.611008 4.705922 
1 1 1    9   13   31 o   62.414   3.7152  467.754   54.507  515.100   76.960  420.100   77.210   65.059   5.0490   58.488   5.6613 6.571175 7.585708 
1 1 1    9   13   32 o   41.850   2.5919  209.071   25.488  199.100   35.905  219.200   36.187   40.582   3.7907   42.637   3.6288 -2.055386 5.247587 
1 1 1    9   13   33 o   54.813   3.1893  360.226   41.102  346.900   57.862  373.800   58.396   53.335   4.6405   55.429   4.5004 -2.094261 6.464417 
1 1 1    9   13   34 o   39.113   2.4586  182.775   22.593  171.400   31.778  194.400   32.126   37.611   3.6229   40.128   3.4232 -2.516773 4.984337 
1 1 1    9   13   35 o   38.076   2.5306  173.577   22.623  192.900   31.930  154.100   32.058   39.929   3.4195   35.526   3.8848 4.402889 5.175375 
1 1 1    9   13   36 o   16.101   1.7101   31.109   6.4026   39.200   9.0497   23.000   9.0596   18.020   2.1704   13.605   2.9082 4.415243 3.628809 
1 1 1    9   13   37 o   52.228   3.0506  329.488   37.460  302.800   52.817  356.500   53.137   49.367   4.5830   53.795   4.2168 -4.427193 6.227806 
1 1 1    9   13   38 o   28.849   2.1569   99.974   14.588  110.300   20.557   89.500   20.703   30.103   2.9291   26.968   3.3212 3.134270 4.428353 
1 1 1    9   13   39 o   16.781   1.7777   33.925   6.9371   38.300   9.7288   29.400   9.8943   17.711   2.3870   15.372   2.8301 2.339310 3.702371 
1 1 1    9   13   40 o   35.664   2.4898  154.039   20.837  183.200   29.398  124.600   29.538   38.578   3.2576   31.391   4.0813 7.186470 5.221995 
1 1 1    9   13   41 o   32.557   2.3097  128.207   17.642  144.000   24.904  112.300   24.994   34.189   3.1191   29.947   3.6070 4.241762 4.768593 
1 1 1    9   13   42 o   30.244   2.0947  110.356   14.868  151.000   21.064   70.000   20.989   35.230   2.5492   23.382   3.9416 11.84758 4.694150 
1 1 1    9   13   43 o   19.152   1.8905   44.368   8.4384   53.300   11.825   35.100   12.045   20.853   2.4480   16.643   3.1810 4.210691 4.013889 
1 1 1    9   13   44 o   22.656   1.9182   62.065   10.166   85.000   14.372   39.100   14.382   26.403   2.3290   17.390   3.6199 9.012613 4.304377 
1 1 1    9   13   45 f   28.038   2.0885   95.508   13.729  111.600   19.441   79.500   19.390   30.010   2.7749   25.005   3.3697 5.004433 4.365147 
1 1 1    9   13   46 o   20.180   2.6827   51.000   12.467   51.000   12.467   0.0000   0.0000   20.180   2.6827  ?   ?  0.000000 2.682696 
1 1 1    9   13   47 o   10.120   2.4441   13.100   5.7749   13.100   5.7749   0.0000   0.0000   10.120   2.4441  ?   ?  0.000000 2.444075 
1 1 1    9   13   48 o   27.715   3.1069   98.700   19.983   98.700   19.983   0.0000   0.0000   27.715   3.1069  ?   ?  0.000000 3.106930 
1 1 1    9   13   49 o   37.754   3.8811  191.400   34.108  191.400   34.108   0.0000   0.0000   37.754   3.8811  ?   ?  0.000000 3.881145 
1 1 1    9   13   50 o   20.253   2.7446   52.700   12.788   52.700   12.788   0.0000   0.0000   20.253   2.7446  ?   ?  0.000000 2.744637 
1 1 1    9   13   51 o   21.690   2.8370   61.700   14.183   61.700   14.183   0.0000   0.0000   21.690   2.8370  ?   ?  0.000000 2.837007 
1 1 1    9   13   52 o   8.8462   2.4694   10.500   5.3551   10.500   5.3551   0.0000   0.0000   8.8462   2.4694  ?   ?  0.000000 2.469352 
1 1 1    9   13   53 o   10.450   2.5874   15.200   6.3510   15.200   6.3510   0.0000   0.0000   10.450   2.5874  ?   ?  0.000000 2.587422 
1 1 1    9   13   54 o   4.2039   1.6663   1.4000   2.4612   1.4000   2.4612   0.0000   0.0000   4.2039   1.6663  ?   ?  0.000000 1.666319 
1 1 1    9   13   55 o   4.2413   1.8450   0.0000   3.4507   0.0000   3.4507   0.0000   0.0000   4.2413   1.8450  ?   ?  0.000000 1.844952 
1 1 1    9   14    0 o   70.736   5.7771  603.500   95.016  603.500   95.016  603.500   95.016   70.736   5.7771   70.736   5.7771 0.000000 0.000000 
1 1 1    9   14    1 o  105.355   5.6152  1318.52  139.191  1173.10  196.724  1464.30  196.968   98.950   8.5019  110.780   7.5750 -11.83031 11.38703 
1 1 1    9   14    2 o  394.941   21.342 19347.39  1982.96 17517.10  2802.98 21181.20  2805.68  363.903   32.977  404.529   29.577 -40.62573 44.29766 
1 1 1    9   14    3 o  230.325   11.894  6374.71  644.689  7240.70  912.514  5511.70  910.943  243.861   15.934  211.527   18.421 32.33374 24.35653 
1 1 1    9   14    4 o   49.848   2.5805  294.385   30.271  367.600   43.300  224.400   42.334   55.667   3.3090   43.353   4.1874 12.31335 5.337036 
1 1 1    9   14    5 o  191.772   10.401  4407.98  469.255  4177.20  664.248  4637.90  663.008  185.050   15.340  195.383   14.473 -10.33353 21.08981 
1 1 1    9   14    6 o  104.096   5.5642  1287.69  136.279  1144.90  192.617  1430.80  192.837   97.711   8.4307  109.469   7.5053 -11.75785 11.28743 
1 1 1    9   14    7 o  197.169   10.503  4664.42  487.235  4349.60  688.858  4979.60  689.250  188.563   15.611  202.296   14.525 -13.73311 21.32355 
1 1 1    9   14    8 f   70.186   3.9477  584.592   65.160  557.900   92.137  611.300   92.164   68.357   5.7618   71.611   5.4922 -3.253258 7.960041 
1 1 1    9   14    9 o  108.990   5.9140  1413.00  151.635  1407.10  214.490  1418.90  214.399  108.345   8.4505  108.808   8.4098 -0.4628830 11.92210 
1 1 1    9   14   10 o   66.501   3.5790  524.559   55.995  607.300   79.353  442.500   79.026   71.456   4.7296   60.842   5.5621 10.61431 7.301102 
1 1 1    9   14   11 f   59.894   3.2604  425.437   45.939  489.200   65.128  362.300   64.807   64.139   4.3254   55.067   5.0398 9.071838 6.641415 
1 1 1    9   14   12 f  220.496   11.322  5864.50  587.493  5266.40  828.982  6468.00  832.711  206.081   17.192  229.537   15.453 -23.45551 23.11629 
1 1 1    9   14   13 o   67.678   5.4775  546.800   86.787  546.800   86.787   0.0000   0.0000   67.678   5.4775  ?   ?  0.000000 5.477537 
1 1 1    9   14   14 o   61.519   3.4592  449.107   50.047  524.000   70.845  374.500   70.710   66.355   4.5489   55.929   5.4221 10.42558 7.077555 
1 1 1    9   14   15 o  162.433   8.8000  3163.92  336.276  3414.10  475.408  2913.40  475.724  167.631   12.091  154.371   13.177 13.25926 17.88368 
1 1 1    9   14   16 o  250.130   14.052  7657.12  826.594  8837.80  1168.30  6473.70  1169.66  265.186   18.778  223.922   22.422 41.26431 29.24693 
1 1 1    9   14   17 o   19.858   1.8034   46.969   8.3640   60.200   11.820   33.700   11.837   22.457   2.2597   16.609   3.1330 5.848198 3.862841 
1 1 1    9   14   18 o  130.256   6.7563  2025.34  207.098  2382.10  293.068  1669.50  292.694  140.759   8.8624  117.228   10.691 23.53051 13.88678 
1 1 1    9   14   19 o  119.952   6.5206  1717.99  184.004  1847.90  260.178  1588.00  260.263  123.821   8.9589  114.525   9.7155 9.296036 13.21568 
1 1 1    9   14   20 o  159.176   8.1743  3040.82  306.212  3486.10  433.577  2597.70  432.523  169.422   10.895  145.394   12.726 24.02760 16.75304 
1 1 1    9   14   21 o  145.160   7.8115  2529.75  266.773  2785.20  377.312  2274.40  377.234  151.294   10.629  136.146   11.852 15.14734 15.91994 
1 1 1    9   14   22 o  213.622   11.582  5587.12  582.070  5439.90  822.668  5734.70  823.677  206.599   17.014  212.576   16.539 -5.977325 23.72822 
1 1 1    9   14   23 o   57.657   3.3495  395.103   45.406  400.100   64.196  390.100   64.232   57.832   4.7426   57.089   4.8095 0.7431831 6.754528 
1 1 1    9   14   24 o   63.047   3.6046  472.942   53.441  502.400   75.588  443.500   75.566   64.768   4.9804   60.767   5.3198 4.001556 7.287319 
1 1 1    9   14   25 o   66.925   3.7592  533.497   59.167  594.600   83.712  472.500   83.639   70.424   5.0678   62.597   5.7216 7.826820 7.643274 
1 1 1    9   14   26 o  109.269   5.9989  1438.45  154.194  1440.60  217.962  1436.30  218.164  108.225   8.5998  108.051   8.6223 0.1741638 12.17789 
1 1 1    9   14   27 f   77.091   4.3182  711.393   78.292  699.100  110.692  723.700  110.752   75.862   6.2343   77.231   6.1231 -1.369392 8.738357 
1 1 1    9   14   28 o   48.356   2.8653  278.591   32.572  304.700   46.116  252.600   46.013   50.391   3.9061   45.769   4.3080 4.621990 5.815193 
1 1 1    9   14   29 o   33.173   2.2900  131.077   17.829  121.600   25.249  140.500   25.178   31.768   3.4197   34.221   3.1512 -2.453356 4.650207 
1 1 1    9   14   30 o   25.010   1.9582   74.561   11.472   71.400   16.252   77.700   16.197   24.331   2.8848   25.420   2.7416 -1.089247 3.979798 
1 1 1    9   14   31 o   48.638   2.9118  282.717   33.289  289.000   47.202  276.500   46.954   48.885   4.1276   47.788   4.2038 1.097088 5.891437 
1 1 1    9   14   32 o   15.260   1.7937   27.969   6.3400   23.500   9.0915   32.200   8.8457   13.790   2.8846   16.296   2.3681 -2.505377 3.732112 
1 1 1    9   14   33 o   31.290   2.2045  116.868   16.184  129.100   22.871  104.600   22.904   32.752   2.9903   29.373   3.3627 3.378674 4.499971 
1 1 1    9   14   34 o   41.437   2.6600  205.550   25.890  219.300   36.548  191.700   36.681   42.549   3.6736   39.676   3.9684 2.873375 5.407772 
1 1 1    9   14   35 o   43.856   2.7364  230.643   28.197  229.000   39.790  232.300   39.963   43.347   3.9301   43.665   3.9175 -0.3177986 5.549099 
1 1 1    9   14   36 o   25.453   1.9543   77.494   11.656   72.900   16.386   82.200   16.584   24.492   2.8889   26.063   2.7356 -1.570713 3.978589 
1 1 1    9   14   37 o   47.986   3.0177  278.562   34.019  298.100   47.974  258.800   48.248   49.119   4.1758   45.558   4.5456 3.561275 6.172500 
1 1 1    9   14   38 o   33.459   2.3610  134.846   18.534  151.000   26.134  118.500   26.289   35.142   3.1839   30.918   3.6726 4.223755 4.860556 
1 1 1    9   14   39 o   57.682   3.5077  409.123   47.551  424.800   67.093  393.300   67.403   57.647   4.9776   55.240   5.2295 2.406654 7.219751 
1 1 1    9   14   40 f   50.771   3.1772  316.142   37.899  382.200   53.560  249.900   53.635   55.141   4.1438   43.685   5.3084 11.45503 6.734245 
1 1 1    9   14   41 o   27.760   2.0792   92.947   13.531   99.700   19.139   86.200   19.131   28.487   2.8850   26.376   3.1329 2.110897 4.258900 
1 1 1    9   14   42 o   29.162   2.0096  102.484   13.754  144.700   19.513   60.800   19.390   34.533   2.4080   21.760   3.9176 12.77302 4.598479 
1 1 1    9   14   43 o   30.885   2.2633  115.649   16.391  130.500   23.104  100.600   23.257   32.484   3.0477   28.249   3.5659 4.234684 4.690851 
1 1 1    9   14   44 o   28.184   2.1225   96.375   14.022  125.800   19.822   66.900   19.838   31.994   2.6475   22.748   3.8291 9.245815 4.655256 
1 1 1    9   14   45 o   51.193   3.2202  328.874   38.729  411.900   54.764  245.800   54.780   56.238   4.1532   41.719   5.7105 14.51888 7.061051 
1 1 1    9   14   46 o   25.844   2.9766   84.300   17.834   84.300   17.834   0.0000   0.0000   25.844   2.9766  ?   ?  0.000000 2.976604 
1 1 1    9   14   47 o   30.922   3.3021  123.200   23.739  123.200   23.739   0.0000   0.0000   30.922   3.3021  ?   ?  0.000000 3.302100 
1 1 1    9   14   48 o   33.989   3.5472  151.600   28.051  151.600   28.051   0.0000   0.0000   33.989   3.5472  ?   ?  0.000000 3.547236 
1 1 1    9   14   49 o   33.609   3.5606  149.600   27.827  149.600   27.827   0.0000   0.0000   33.609   3.5606  ?   ?  0.000000 3.560611 
1 1 1    9   14   50 o   24.521   2.9825   78.300   16.914   78.300   16.914   0.0000   0.0000   24.521   2.9825  ?   ?  0.000000 2.982497 
1 1 1    9   14   51 o   10.573   2.5110   14.800   6.1760   14.800   6.1760   0.0000   0.0000   10.573   2.5110  ?   ?  0.000000 2.510998 
1 1 1    9   14   52 o   7.9985   2.3933   8.5000   4.8720   8.5000   4.8720   0.0000   0.0000   7.9985   2.3933  ?   ?  0.000000 2.393284 
1 1 1    9   14   53 o   17.741   2.7843   44.000   11.280   44.000   11.280   0.0000   0.0000   17.741   2.7843  ?   ?  0.000000 2.784310 
1 1 1    9   14   54 o   9.1480   2.8759   12.300   6.9254   12.300   6.9254   0.0000   0.0000   9.1480   2.8759  ?   ?  0.000000 2.875882 
1 1 1    9   14   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   15    0 o   30.825   3.1843  115.800   22.612  115.800   22.612  115.800   22.612   30.825   3.1843   30.825   3.1843 0.000000 0.000000 
1 1 1    9   15    1 o  148.416   7.7890  2626.15  272.024  2383.30  384.381  2869.80  385.018  140.500   11.692  154.543   10.615 -14.04326 15.79155 
1 1 1    9   15    2 o   74.241   4.1520  654.102   72.497  678.500  102.522  629.700  102.530   75.438   5.7997   72.627   6.0331 2.810303 8.368686 
1 1 1    9   15    3 o  123.809   6.6767  1824.65  194.476  1809.00  275.015  1840.30  275.046  122.753   9.5632  123.834   9.4779 -1.080940 13.46425 
1 1 1    9   15    4 o   94.218   5.1434  1054.57  113.999  1032.20  161.130  1077.00  161.308   92.902   7.4065   94.934   7.2505 -2.031601 10.36464 
1 1 1    9   15    5 o   76.551   4.2607  695.587   76.713  701.800  108.602  689.400  108.375   76.689   6.0462   75.998   6.0902 0.6907043 8.581758 
1 1 1    9   15    6 o  255.772   13.784  7931.06  829.456  7742.50  1172.91  8119.70  1173.14  249.088   20.113  255.458   19.597 -6.370483 28.08147 
1 1 1    9   15    7 o  104.764   5.6927  1305.10  140.301  1345.40  198.413  1264.80  198.417  106.016   7.9843  102.725   8.2493 3.291100 11.48042 
1 1 1    9   15    8 o  185.704   9.8546  4135.67  430.594  4495.60  609.192  3776.30  608.713  192.366   13.497  175.716   14.808 16.64986 20.03605 
1 1 1    9   15    9 o  103.787   5.5734  1280.91  136.091  1397.20  192.578  1164.90  192.345  108.092   7.5931   98.511   8.3471 9.580444 11.28398 
1 1 1    9   15   10 o  162.897   8.7603  3176.83  335.736  3122.90  474.935  3230.70  474.670  160.315   12.649  163.157   12.413 -2.842697 17.72230 
1 1 1    9   15   11 o   78.350   4.3847  729.139   80.796  797.800  114.231  660.400  114.296   81.770   5.9569   74.261   6.5863 7.509323 8.880534 
1 1 1    9   15   12 o  246.211   13.413  7377.71  776.855  8348.00  1098.49  6406.90  1098.79  258.852   18.085  224.610   20.959 34.24210 27.68291 
1 1 1    9   15   13 o  236.809   18.780  7030.60  1041.56  7030.60  1041.56   0.0000   0.0000  236.809   18.780  ?   ?  0.000000 18.78019 
1 1 1    9   15   14 o  173.231   9.2321  3602.56  376.286  3492.70  531.207  3713.20  533.096  169.022   13.420  174.471   13.034 -5.449265 18.70741 
1 1 1    9   15   15 o  306.477   16.502 11630.91  1189.88 10945.90  1680.26 12320.00  1685.25  288.957   24.867  308.479   23.307 -19.52164 34.08260 
1 1 1    9   15   16 o   73.356   4.1350  639.230   71.334  652.500  100.767  625.900  100.995   73.897   5.8218   72.344   5.9652 1.553177 8.335303 
1 1 1    9   15   17 f   37.131   2.3729  163.610   20.696  148.200   29.184  179.200   29.355   35.210   3.5590   38.788   3.2345 -3.577789 4.809190 
1 1 1    9   15   18 o   45.328   2.7775  243.855   29.585  249.800   41.822  237.900   41.859   45.764   3.9075   44.640   4.0139 1.124256 5.601804 
1 1 1    9   15   19 o  184.320   9.9939  4104.78  433.354  4526.80  612.796  3682.60  612.915  191.757   13.622  171.967   15.252 19.78996 20.44934 
1 1 1    9   15   20 o  133.269   7.2058  2127.25  225.920  2243.30  319.495  2011.20  319.505  135.979   10.021  128.499   10.625 7.480301 14.60499 
1 1 1    9   15   21 o   90.338   4.9911  972.380  106.057  1005.80  149.921  938.900  150.054   91.488   6.9926   88.314   7.2596 3.173355 10.07964 
1 1 1    9   15   22 o  139.352   7.5674  2336.13  248.081  2481.50  350.808  2190.70  350.872  142.434   10.504  133.447   11.239 8.986679 15.38386 
1 1 1    9   15   23 o   75.726   4.2300  683.093   75.337  745.300  106.548  620.900  106.537   78.821   5.7645   71.777   6.3512 7.043617 8.577174 
1 1 1    9   15   24 o   67.505   3.8218  542.740   60.670  574.100   85.814  511.400   85.786   69.164   5.2945   65.184   5.6285 3.979530 7.727350 
1 1 1    9   15   25 o  122.942   6.7352  1826.41  194.786  1947.10  275.454  1705.70  275.486  125.642   9.3513  117.164   10.055 8.478317 13.73116 
1 1 1    9   15   26 o   62.509   3.5177  465.874   51.713  530.700   73.177  401.200   73.090   66.489   4.6909   57.589   5.4391 8.899773 7.182528 
1 1 1    9   15   27 o   24.650   1.9258   72.348   11.121   70.800   15.717   73.900   15.738   24.270   2.7934   24.811   2.7315 -0.5416412 3.906889 
1 1 1    9   15   28 o  128.340   7.1049  2022.27  214.479  1988.90  303.191  2055.70  303.445  124.601   10.400  126.858   10.216 -2.257317 14.57837 
1 1 1    9   15   29 o   64.801   3.6867  503.117   56.180  518.400   79.536  487.900   79.365   65.318   5.1997   63.300   5.3600 2.018097 7.467720 
1 1 1    9   15   30 f   70.941   4.0321  605.447   67.266  608.800   95.170  602.100   95.088   70.461   5.7705   70.056   5.8001 0.4049606 8.181701 
1 1 1    9   15   31 o   70.056   3.8775  590.487   63.894  630.400   90.546  550.900   90.176   71.784   5.3808   66.908   5.7638 4.876190 7.885107 
1 1 1    9   15   32 o   46.092   2.8108  254.088   30.446  259.400   43.106  248.800   43.009   46.280   3.9833   45.294   4.0645 0.9857101 5.690901 
1 1 1    9   15   33 o   22.499   1.8162   60.410   9.5670   64.200   13.602   56.700   13.459   23.087   2.5368   21.651   2.6906 1.435730 3.697901 
1 1 1    9   15   34 o   46.572   2.6971  259.695   29.534  288.800   41.879  230.900   41.656   48.845   3.6574   43.503   4.1035 5.342323 5.496876 
1 1 1    9   15   35 o   53.148   3.2128  340.547   40.132  346.100   56.519  334.900   56.993   53.036   4.5572   52.107   4.6819 0.9289131 6.533613 
1 1 1    9   15   36 o   92.649   5.5278  1080.29  120.385  1218.10  170.069  941.900  170.432   95.872   7.5740   82.620   8.8749 13.25161 11.66744 
1 1 1    9   15   37 o   39.124   2.5555  184.374   23.480  194.800   33.167  173.900   33.244   39.858   3.5614   37.545   3.8022 2.313206 5.209630 
1 1 1    9   15   38 o   31.529   2.2368  119.625   16.545  126.300   23.354  112.900   23.443   32.123   3.1182   30.278   3.3341 1.844584 4.565032 
1 1 1    9   15   39 o   19.292   1.8374   44.814   8.2693   50.100   11.625   39.400   11.766   20.255   2.4824   17.816   2.8962 2.439198 3.814495 
1 1 1    9   15   40 o   18.768   1.7290   42.381   7.5765   36.100   10.617   48.900   10.816   17.063   2.7267   20.029   2.3304 -2.965420 3.586856 
1 1 1    9   15   41 o   43.714   2.8138  233.264   28.891  258.200   40.806  208.200   40.910   45.373   3.8447   40.378   4.3598 4.995033 5.812902 
1 1 1    9   15   42 o   30.880   2.2639  115.496   16.393  141.600   23.140   89.200   23.226   33.939   2.9157   26.490   3.8237 7.448997 4.808531 
1 1 1    9   15   43 o   11.090   1.7531   15.062   4.4382   16.800   6.1710   13.200   6.3877   11.593   2.3349   10.226   2.6303 1.366619 3.517136 
1 1 1    9   15   44 o   19.115   1.8628   44.311   8.3011   59.900   11.698   28.500   11.781   22.122   2.2717   14.817   3.4343 7.304798 4.117619 
1 1 1    9   15   45 o   44.352   2.4827  241.503   25.898  363.400   36.738  121.100   36.513   54.077   2.8875   29.225   5.4924 24.85151 6.205178 
1 1 1    9   15   46 o   4.7410   1.8328   1.8000   2.9158   1.8000   2.9158   0.0000   0.0000   4.7410   1.8328  ?   ?  0.000000 1.832835 
1 1 1    9   15   47 o   17.828   2.6068   40.200   10.650   40.200   10.650   0.0000   0.0000   17.828   2.6068  ?   ?  0.000000 2.606829 
1 1 1    9   15   48 o   33.260   3.4873  144.800   26.981  144.800   26.981   0.0000   0.0000   33.260   3.4873  ?   ?  0.000000 3.487303 
1 1 1    9   15   49 o   17.938   2.6327   41.100   10.820   41.100   10.820   0.0000   0.0000   17.938   2.6327  ?   ?  0.000000 2.632744 
1 1 1    9   15   50 o   4.1043   1.6680   0.9000   2.5311   0.9000   2.5311   0.0000   0.0000   4.1043   1.6680  ?   ?  0.000000 1.667989 
1 1 1    9   15   51 o   12.336   2.5351   20.200   7.1379   20.200   7.1379   0.0000   0.0000   12.336   2.5351  ?   ?  0.000000 2.535135 
1 1 1    9   15   52 o   11.644   2.5934   18.600   6.9477   18.600   6.9477   0.0000   0.0000   11.644   2.5934  ?   ?  0.000000 2.593394 
1 1 1    9   15   53 o   17.807   2.8879   45.000   11.727   45.000   11.727   0.0000   0.0000   17.807   2.8879  ?   ?  0.000000 2.887916 
1 1 1    9   15   54 o   3.2234   1.4980  -2.1000   2.7494  -2.1000   2.7494   0.0000   0.0000   3.2234   1.4980  ?   ?  0.000000 1.498033 
1 1 1    9   15   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   16    0 f  173.076   13.455  3639.60  542.240  3639.60  542.240  3639.60  542.240  173.076   13.455  173.076   13.455 0.000000 0.000000 
1 1 1    9   16    1 o  140.377   7.2477  2348.11  239.427  2019.80  338.248  2677.80  338.954  129.319   11.187  149.423   9.6581 -20.10474 14.77922 
1 1 1    9   16    2 o  136.296   7.4673  2215.27  239.417  1900.30  338.786  2529.50  338.388  125.299   11.581  145.138   9.9332 -19.83891 15.25757 
1 1 1    9   16    3 o  232.455   12.501  6524.95  683.668  6504.00  966.822  6545.90  966.883  229.387   17.993  230.164   17.931 -0.7776489 25.40273 
1 1 1    9   16    4 o   77.744   4.3213  717.543   79.018  724.200  111.810  710.900  111.688   77.891   6.1285   77.161   6.1817 0.7303848 8.704716 
1 1 1    9   16    5 o  252.714   13.366  7737.80  794.774  8461.20  1124.68  7016.20  1123.28  261.413   18.336  236.704   20.293 24.70857 27.34945 
1 1 1    9   16    6 o   71.979   3.8924  614.731   65.912  692.400   93.376  537.600   93.052   76.263   5.2164   67.060   5.9376 9.203362 7.903574 
1 1 1    9   16    7 o  241.920   12.897  7088.56  734.083  6430.80  1037.81  7747.20  1038.49  226.699   19.579  250.217   17.690 -23.51801 26.38697 
1 1 1    9   16    8 o  255.481   12.259  7873.62  739.584  9748.20  1047.57  6010.70  1044.30  281.907   15.800  218.318   20.497 63.58887 25.88001 
1 1 1    9   16    9 o  104.100   5.5393  1288.88  135.676  1420.90  192.037  1157.30  191.712  108.996   7.5071   98.155   8.3507 10.84087 11.22899 
1 1 1    9   16   10 o   26.706   2.0040   84.736   12.546   83.100   17.669   86.400   17.816   26.356   2.8863   26.884   2.8498 -0.5283108 4.056079 
1 1 1    9   16   11 o  154.779   8.4081  2868.03  306.154  3205.20  432.822  2530.40  433.112  162.761   11.332  144.007   12.872 18.75401 17.14977 
1 1 1    9   16   12 o  180.812   9.7466  3929.89  414.605  3947.10  585.729  3912.60  586.952  179.569   13.922  178.735   14.019 0.8345032 19.75788 
1 1 1    9   16   13 o   25.602   1.9453   77.883   11.672   73.000   16.396   82.900   16.620   24.683   2.8664   26.343   2.7105 -1.659960 3.945070 
1 1 1    9   16   14 o  103.638   5.6696  1278.79  138.225  1461.40  195.457  1096.10  195.503  110.476   7.5374   95.344   8.7823 15.13197 11.57334 
1 1 1    9   16   15 o  182.671   9.7476  4015.42  418.947  3898.80  591.397  4132.90  593.569  178.139   14.176  183.628   13.790 -5.488525 19.77691 
1 1 1    9   16   16 o  176.135   9.5901  3734.60  397.369  3880.40  561.393  3588.20  562.537  177.923   13.462  170.764   14.076 7.159515 19.47691 
1 1 1    9   16   17 o  154.437   8.4429  2862.90  306.731  3251.30  433.589  2473.80  433.976  163.582   11.294  141.875   13.102 21.70689 17.29774 
1 1 1    9   16   18 o  134.914   7.1535  2177.31  227.082  2401.30  321.349  1953.90  320.935  140.950   9.7143  126.710   10.830 14.23995 14.54860 
1 1 1    9   16   19 o   96.133   5.1682  1100.66  116.890  1265.80  165.379  935.800  165.234  102.792   6.8526   88.056   8.0351 14.73633 10.56036 
1 1 1    9   16   20 o   89.309   4.8848  949.955  102.627  1040.20  145.172  859.800  145.100   93.136   6.6445   84.478   7.3469 8.658104 9.905889 
1 1 1    9   16   21 o  125.839   6.8805  1899.14  203.679  1991.00  287.900  1807.10  288.192  127.931   9.6002  121.646   10.125 6.285126 13.95263 
1 1 1    9   16   22 o  113.332   6.2017  1539.14  165.339  1589.80  233.727  1488.40  233.924  114.377   8.7195  110.532   9.0416 3.845612 12.56104 
1 1 1    9   16   23 o   33.068   2.2404  129.939   17.391  136.800   24.615  123.100   24.575   33.837   3.1157   32.059   3.2931 1.777828 4.533422 
1 1 1    9   16   24 o  185.393   10.294  4254.04  448.896  4486.10  634.718  4021.80  634.950  186.221   14.550  175.255   15.503 10.96571 21.26102 
1 1 1    9   16   25 o   27.680   2.0234   91.129   13.133   97.000   18.607   85.300   18.539   28.470   2.8042   26.652   2.9978 1.817862 4.104949 
1 1 1    9   16   26 o   70.400   3.9687  592.506   65.706  547.200   92.878  637.900   92.968   67.132   5.9195   72.664   5.4581 -5.531395 8.051781 
1 1 1    9   16   27 o   27.217   2.0041   88.178   12.789   94.200   18.120   82.200   18.054   28.036   2.7734   26.139   2.9782 1.897284 4.069547 
1 1 1    9   16   28 o   52.042   3.0968  323.346   37.884  328.700   53.596  318.000   53.557   52.184   4.3902   51.303   4.4655 0.8815231 6.262147 
1 1 1    9   16   29 f   93.108   5.1952  1052.29  113.767  1114.70  160.904  989.900  160.878   94.634   7.2557   88.833   7.7469 5.801117 10.61414 
1 1 1    9   16   30 o   38.626   2.5111  178.021   22.779  164.400   32.240  191.600   32.189   36.868   3.7557   39.898   3.4505 -3.030590 5.100124 
1 1 1    9   16   31 o   22.730   1.8582   61.641   9.8863   62.800   14.035   60.500   13.929   22.822   2.6538   22.389   2.6884 0.4333668 3.777569 
1 1 1    9   16   32 o   51.824   3.0793  321.933   37.514  348.900   53.070  295.000   53.036   53.612   4.2263   49.135   4.6255 4.476719 6.265538 
1 1 1    9   16   33 o   42.791   2.6723  219.145   26.866  223.300   38.018  215.000   37.972   42.907   3.7913   42.074   3.8652 0.8328781 5.414201 
1 1 1    9   16   34 o   76.920   4.3578  721.407   78.827  778.500  111.521  664.400  111.436   78.791   6.0400   72.355   6.5947 6.436417 8.942657 
1 1 1    9   16   35 o   18.407   1.7293   40.577   7.4285   41.800   10.606   39.400   10.407   18.550   2.4838   17.992   2.5186 0.5571594 3.537336 
1 1 1    9   16   36 o   8.6275   1.5275   9.0940   2.9979   10.500   4.4239   7.9000   4.0768   9.2058   2.0836   7.9990   2.1231 1.206877 2.974705 
1 1 1    9   16   37 o   28.850   2.2135  100.127   14.965  119.300   21.067   80.600   21.261   31.316   2.8813   25.449   3.6419 5.867397 4.643795 
1 1 1    9   16   38 o   54.747   3.4072  367.511   43.829  421.400   61.892  313.300   62.077   57.803   4.5717   49.149   5.4399 8.653831 7.105884 
1 1 1    9   16   39 o   77.894   4.6298  770.497   84.776  770.000  119.526  771.000  120.260   74.876   6.8356   74.857   6.8805 0.1933289E-01 9.698769 
1 1 1    9   16   40 o   18.593   1.8057   41.674   7.8276   45.500   11.035   37.800   11.105   19.267   2.4833   17.448   2.7891 1.818933 3.734479 
1 1 1    9   16   41 o   18.035   1.7590   39.220   7.3954   46.400   10.481   32.100   10.437   19.491   2.3230   16.014   2.8652 3.477160 3.688534 
1 1 1    9   16   42 o   42.311   2.7980  219.088   27.797  238.300   39.172  199.600   39.452   43.464   3.8568   39.446   4.3054 4.017159 5.780228 
1 1 1    9   16   43 o   32.571   2.3512  129.120   17.962  150.100   25.330  107.900   25.475   34.748   3.1204   29.063   3.8033 5.684675 4.919529 
1 1 1    9   16   44 o   24.325   1.9327   71.700   11.010  102.900   15.583   40.600   15.558   29.026   2.2921   17.552   3.8588 11.47450 4.488202 
1 1 1    9   16   45 o   19.892   1.9655   48.263   9.1113   68.700   12.804   27.300   12.968   23.627   2.3251   14.323   3.7793 9.303467 4.437212 
1 1 1    9   16   46 o   29.613   3.2013  112.200   22.029  112.200   22.029   0.0000   0.0000   29.613   3.2013  ?   ?  0.000000 3.201268 
1 1 1    9   16   47 o   25.962   3.0153   86.200   18.141   86.200   18.141   0.0000   0.0000   25.962   3.0153  ?   ?  0.000000 3.015332 
1 1 1    9   16   48 o   25.858   3.0131   85.900   18.053   85.900   18.053   0.0000   0.0000   25.858   3.0131  ?   ?  0.000000 3.013122 
1 1 1    9   16   49 o   37.065   3.8517  186.300   33.220  186.300   33.220   0.0000   0.0000   37.065   3.8517  ?   ?  0.000000 3.851712 
1 1 1    9   16   50 o   13.971   2.5882   25.500   8.2243   25.500   8.2243   0.0000   0.0000   13.971   2.5882  ?   ?  0.000000 2.588201 
1 1 1    9   16   51 o   6.7737   2.2614   5.7000   4.2446   5.7000   4.2446   0.0000   0.0000   6.7737   2.2614  ?   ?  0.000000 2.261404 
1 1 1    9   16   52 o   21.446   2.9723   64.600   14.648   64.600   14.648   0.0000   0.0000   21.446   2.9723  ?   ?  0.000000 2.972332 
1 1 1    9   16   53 o   7.8801   2.7317   8.5000   6.2038   8.5000   6.2038   0.0000   0.0000   7.8801   2.7317  ?   ?  0.000000 2.731739 
1 1 1    9   16   54 f   6.2720   2.4756   4.1000   5.4109   4.1000   5.4109   0.0000   0.0000   6.2720   2.4756  ?   ?  0.000000 2.475564 
1 1 1    9   17    0 o  107.715   8.5313  1402.00  213.865  1402.00  213.865  1402.00  213.865  107.715   8.5313  107.715   8.5313 -0.000000 0.000000 
1 1 1    9   17    1 o  149.904   8.0352  2683.67  283.393  2722.00  400.942  2645.40  400.616  150.120   11.395  147.934   11.560 2.186798 16.23249 
1 1 1    9   17    2 o  213.867   11.598  5514.08  583.552  6360.90  825.105  4666.60  825.431  227.991   15.417  193.734   18.259 34.25745 23.89655 
1 1 1    9   17    3 o  169.541   8.3308  3426.16  333.520  4156.60  472.364  2700.00  470.975  185.843   10.811  148.786   13.554 37.05675 17.33710 
1 1 1    9   17    4 o  173.052   8.7642  3582.62  356.972  4170.00  505.431  2998.00  504.241  185.860   11.574  156.732   13.764 29.12820 17.98322 
1 1 1    9   17    5 o   33.960   2.2089  136.834   17.617  154.100   24.999  119.800   24.830   35.983   2.9687   31.649   3.3745 4.333094 4.494449 
1 1 1    9   17    6 o  223.787   10.826  6013.78  572.073  7387.90  810.224  4647.70  807.849  246.300   13.989  193.236   17.908 53.06314 22.72382 
1 1 1    9   17    7 o  102.627   5.5690  1252.87  134.453  1317.30  190.195  1188.50  190.096  104.886   7.7338   99.516   8.1612 5.369240 11.24357 
1 1 1    9   17    8 o  131.533   6.8937  2062.91  213.370  2329.60  301.974  1797.00  301.528  139.276   9.2343  121.905   10.580 17.37123 14.04287 
1 1 1    9   17    9 o  229.589   12.313  6386.85  665.084  6697.00  940.956  6077.20  940.186  232.288   17.278  220.632   18.209 11.65591 25.10173 
1 1 1    9   17   10 o  117.076   6.2894  1633.08  173.239  1919.80  245.068  1346.70  244.927  126.575   8.2443  105.529   9.9462 21.04551 12.91876 
1 1 1    9   17   11 o  106.162   5.8029  1341.85  144.922  1555.00  204.926  1128.60  204.975  113.973   7.6588   96.718   9.0812 17.25490 11.87967 
1 1 1    9   17   12 o  148.085   8.0602  2624.49  280.789  2808.20  396.841  2440.30  397.350  152.292   11.112  141.617   11.995 10.67471 16.35079 
1 1 1    9   17   13 o  144.216   7.8767  2488.55  267.221  2706.30  377.650  2270.20  378.166  149.574   10.764  136.576   11.843 12.99802 16.00409 
1 1 1    9   17   14 o   41.887   2.5988  208.190   25.578  200.400   36.034  216.100   36.312   40.976   3.7662   42.577   3.6469 -1.601261 5.242578 
1 1 1    9   17   15 f  186.613   10.155  4200.63  445.801  4419.50  630.054  3981.20  630.862  189.556   14.179  179.418   15.029 10.13799 20.66156 
1 1 1    9   17   16 o   68.151   3.9056  551.782   62.590  627.700   88.468  475.700   88.563   72.541   5.1991   62.971   6.0297 9.569725 7.961651 
1 1 1    9   17   17 o  165.349   8.8836  3288.61  345.590  3923.40  488.810  2654.20  488.665  179.519   11.593  146.310   14.328 33.20865 18.43062 
1 1 1    9   17   18 o   60.313   3.4886  432.058   49.472  452.600   69.951  411.500   69.978   61.568   4.8507   58.651   5.1036 2.916740 7.041027 
1 1 1    9   17   19 o  142.899   7.7707  2452.79  261.224  2496.50  369.050  2408.90  369.803  142.956   11.017  140.310   11.256 2.646576 15.75074 
1 1 1    9   17   20 o  168.518   9.4658  3443.31  375.149  3863.60  530.030  3021.40  531.052  176.668   12.792  154.986   14.686 21.68114 19.47560 
1 1 1    9   17   21 o  121.400   6.6624  1768.73  190.260  1821.30  268.729  1715.90  269.408  122.239   9.3815  118.496   9.7136 3.742760 13.50429 
1 1 1    9   17   22 o   74.802   4.2001  666.851   73.887  667.100  104.295  666.600  104.692   74.462   5.9820   74.428   6.0080 0.3401947E-01 8.478218 
1 1 1    9   17   23 o  220.607   12.373  6124.56  641.927  6699.60  907.817  5549.50  907.826  224.367   17.267  201.305   19.336 23.06200 25.92366 
1 1 1    9   17   24 o  165.265   9.1852  3366.31  357.040  3539.10  504.765  3193.30  505.096  166.070   12.975  156.928   13.770 9.142090 18.91957 
1 1 1    9   17   25 o  115.461   6.3110  1614.38  171.415  1772.40  242.468  1456.50  242.367  119.718   8.6349  107.886   9.6144 11.83206 12.92274 
1 1 1    9   17   26 o  116.486   6.4661  1651.50  177.162  1733.60  250.471  1569.30  250.618  117.674   9.0843  111.557   9.6075 6.116600 13.22228 
1 1 1    9   17   27 o  127.896   7.1196  2011.22  214.167  2100.30  302.842  1922.10  302.913  128.199   10.085  122.123   10.609 6.075264 14.63814 
1 1 1    9   17   28 o   26.169   1.9858   81.597   12.179   79.200   17.215   84.000   17.233   25.646   2.8933   26.436   2.8034 -0.7902031 4.028689 
1 1 1    9   17   29 o   99.560   5.5583  1209.04  130.151  1256.80  184.080  1161.30  184.042   99.942   7.8635   95.782   8.2167 4.160461 11.37319 
1 1 1    9   17   30 o   6.3057   1.7374   4.8536   2.6698  -0.9000   3.8659   10.100   3.6915   4.4370   1.9409   9.0768   1.7859 -4.639861 2.637534 
1 1 1    9   17   31 o   18.529   1.7136   41.022   7.4127   46.900   10.508   35.200   10.458   19.738   2.2976   16.990   2.6969 2.748302 3.542914 
1 1 1    9   17   32 o   29.306   2.0993  102.494   14.431  103.900   20.455  101.100   20.363   29.348   2.9936   28.939   3.0246 0.4083786 4.255525 
1 1 1    9   17   33 o   89.686   4.9217  986.328  103.833  1070.10  147.038  903.000  146.648   91.887   6.8254   83.794   7.4904 8.092598 10.13367 
1 1 1    9   17   34 o   16.366   1.7387   32.140   6.6166   28.700   9.4133   35.500   9.3022   15.276   2.7087   17.101   2.3671 -1.824648 3.597212 
1 1 1    9   17   35 f   52.897   3.1781  338.307   39.512  331.200   55.906  345.400   55.851   51.664   4.6318   52.826   4.5209 -1.162659 6.472396 
1 1 1    9   17   36 o   17.359   1.5483   36.065   6.2802   45.700   8.9696   26.800   8.7960   19.484   1.9769   14.733   2.6246 4.751544 3.285807 
1 1 1    9   17   37 o   34.032   2.2673  139.314   18.116  146.000   25.690  132.700   25.551   34.540   3.1857   32.859   3.3395 1.681034 4.615276 
1 1 1    9   17   38 o   45.854   2.5809  254.259   27.832  294.500   39.529  214.700   39.193   48.920   3.4439   41.402   4.0611 7.517582 5.324768 
1 1 1    9   17   39 o   13.699   1.6409   22.677   5.2024   17.100   7.1109   29.100   7.6311   11.669   2.6421   15.432   2.1527 -3.763184 3.408067 
1 1 1    9   17   40 o   47.758   3.0583  279.644   34.309  314.900   48.421  244.100   48.619   49.939   4.1436   43.438   4.8213 6.500774 6.357163 
1 1 1    9   17   41 o   43.698   2.9183  233.940   29.939  280.900   42.233  186.500   42.448   47.312   3.8125   37.795   4.8695 9.517525 6.184462 
1 1 1    9   17   42 o   33.096   2.2677  132.744   17.616  171.800   24.930   93.800   24.895   37.408   2.8436   27.035   4.0220 10.37265 4.925698 
1 1 1    9   17   43 o   2.5629   1.1218  -0.3017   1.2931  -7.5000   1.7823   7.7000   1.8791  ?   ?    7.9912   1.0190 0.000000 1.019012 
1 1 1    9   17   44 o   10.960   1.6231   14.695   4.0736   25.600   5.8456   4.4000   5.6798   14.499   1.7422   6.8528   2.5801 7.646493 3.113243 
1 1 1    9   17   45 o   24.447   1.9566   72.774   11.201   90.300   15.875   55.400   15.806   26.993   2.5197   20.704   3.3472 6.288643 4.189647 
1 1 1    9   17   46 o   27.883   3.1108   99.400   20.133   99.400   20.133   0.0000   0.0000   27.883   3.1108  ?   ?  0.000000 3.110834 
1 1 1    9   17   47 o   19.168   2.6790   46.600   11.795   46.600   11.795   0.0000   0.0000   19.168   2.6790  ?   ?  0.000000 2.678994 
1 1 1    9   17   48 o   27.698   3.1226   99.300   20.067   99.300   20.067   0.0000   0.0000   27.698   3.1226  ?   ?  0.000000 3.122612 
1 1 1    9   17   49 o   10.078   2.4447   13.200   5.7584   13.200   5.7584   0.0000   0.0000   10.078   2.4447  ?   ?  0.000000 2.444721 
1 1 1    9   17   50 o   12.593   2.4823   20.800   7.1187   20.800   7.1187   0.0000   0.0000   12.593   2.4823  ?   ?  0.000000 2.482256 
1 1 1    9   17   51 o   13.795   2.5833   25.600   8.1058   25.600   8.1058   0.0000   0.0000   13.795   2.5833  ?   ?  0.000000 2.583296 
1 1 1    9   17   52 f   11.965   2.8260   20.400   7.8569   20.400   7.8569   0.0000   0.0000   11.965   2.8260  ?   ?  0.000000 2.825973 
1 1 1    9   17   53 o   5.0229   1.9895   2.2000   3.5062   2.2000   3.5062   0.0000   0.0000   5.0229   1.9895  ?   ?  0.000000 1.989522 
1 1 1    9   17   54 o   4.9912   2.1865   0.1000   4.9222   0.1000   4.9222   0.0000   0.0000   4.9912   2.1865  ?   ?  0.000000 2.186522 
1 1 1    9   18    0 o  113.107   8.8901  1546.70  234.069  1546.70  234.069  1546.70  234.069  113.107   8.8901  113.107   8.8901 0.000000 0.000000 
1 1 1    9   18    1 o  162.609   7.5812  3147.99  291.102  2344.80  410.625  3959.50  412.745  138.779   12.670  181.654   9.6569 -42.87549 15.93058 
1 1 1    9   18    2 o  231.519   12.429  6488.49  677.018  6700.00  957.812  6277.30  957.083  232.457   17.579  224.581   18.204 7.876297 25.30636 
1 1 1    9   18    3 o   89.421   4.9457  950.343  104.025  960.200  146.794  940.400  147.434   89.593   6.9941   88.640   7.1035 0.9530411 9.968773 
1 1 1    9   18    4 o   19.917   1.7712   47.226   8.2428   39.900   11.561   54.800   11.755   18.164   2.7843   21.405   2.3652 -3.241104 3.653324 
1 1 1    9   18    5 o  274.915   13.197  9157.47  856.686 11318.00  1213.63  7011.80  1209.45  302.637   17.052  234.407   22.111 68.23051 27.92293 
1 1 1    9   18    6 o  210.243   11.312  5335.62  559.553  5248.30  791.190  5423.00  791.464  206.062   16.396  209.641   16.111 -3.579453 22.98668 
1 1 1    9   18    7 o  144.474   7.6920  2493.82  261.471  2717.80  369.924  2270.20  369.627  150.094   10.503  136.801   11.550 13.29274 15.61189 
1 1 1    9   18    8 o  294.119   16.086 10658.55  1112.99 10462.70  1573.79 10854.50  1574.20  284.674   23.625  290.476   23.142 -5.802307 33.07162 
1 1 1    9   18    9 o  161.847   7.1334  3117.95  272.624  4496.30  386.686  1755.70  384.420  194.043   8.4392  119.382   13.897 74.66062 16.25837 
1 1 1    9   18   10 o  259.966   14.165  8263.08  866.256  8276.30  1223.70  8249.80  1226.44  255.507   20.453  255.024   20.540 0.4834137 28.98685 
1 1 1    9   18   11 o  128.814   6.9572  1980.54  210.838  2216.50  298.179  1744.60  298.161  135.719   9.3614  119.988   10.633 15.73042 14.16701 
1 1 1    9   18   12 o   80.983   6.4180  784.500  121.725  784.500  121.725   0.0000   0.0000   80.983   6.4180  ?   ?  0.000000 6.417965 
1 1 1    9   18   13 o  156.493   8.1474  2932.99  300.036  3602.40  424.650  2265.70  423.980  172.716   10.461  135.798   13.396 36.91789 16.99714 
1 1 1    9   18   14 o  100.758   5.5159  1208.92  130.739  1308.00  184.872  1109.80  184.914  104.442   7.5469   96.013   8.2358 8.429871 11.17064 
1 1 1    9   18   15 o  141.087   7.5875  2383.34  251.854  2349.50  355.602  2417.40  356.751  139.053   10.918  141.106   10.789 -2.052444 15.34881 
1 1 1    9   18   16 o  182.907   9.9602  4040.43  428.566  4321.90  605.834  3758.50  606.336  187.301   13.795  173.999   14.901 13.30183 20.30610 
1 1 1    9   18   17 o   87.442   4.1646  906.211   85.992  1153.60  122.069  662.500  121.159   98.407   5.2723   74.189   6.9986 24.21748 8.762326 
1 1 1    9   18   18 o   97.192   5.3093  1126.12  121.391  1192.40  171.707  1059.90  171.637   99.589   7.3535   93.749   7.8248 5.840698 10.73785 
1 1 1    9   18   19 o   76.448   4.1861  695.303   75.281  769.900  106.568  621.000  106.358   80.215   5.6625   71.871   6.3316 8.343658 8.494299 
1 1 1    9   18   20 o  136.498   7.0212  2238.21  225.541  2645.50  319.353  1832.90  318.574  147.541   9.2124  121.852   11.197 25.68909 14.49967 
1 1 1    9   18   21 o  141.752   7.6068  2427.10  253.689  2678.90  358.913  2175.70  358.628  147.549   10.367  132.223   11.603 15.32607 15.56013 
1 1 1    9   18   22 f  104.549   5.7612  1311.60  141.683  1375.90  200.298  1247.20  200.442  106.297   8.0393  101.000   8.4829 5.296829 11.68716 
1 1 1    9   18   23 o  110.515   6.1123  1471.78  158.890  1626.10  224.649  1317.30  224.760  115.215   8.3131  103.153   9.3283 12.06197 12.49493 
1 1 1    9   18   24 o   75.014   4.2238  673.006   74.513  705.800  105.368  640.200  105.388   76.373   5.8880   72.618   6.2055 3.755424 8.554305 
1 1 1    9   18   25 o   66.729   3.8090  532.301   59.770  538.600   84.519  526.000   84.536   66.709   5.4121   65.899   5.4823 0.8104401 7.703645 
1 1 1    9   18   26 o   63.768   3.6630  486.350   54.925  496.700   77.676  476.000   77.676   64.040   5.1810   62.646   5.3006 1.393616 7.412106 
1 1 1    9   18   27 o   29.859   2.1370  106.207   14.968  103.300   21.194  109.100   21.142   29.299   3.1109   30.137   3.0112 -0.8374996 4.329565 
1 1 1    9   18   28 o   7.3103   1.5598   6.5658   2.6106   10.400   3.8182   3.2000   3.5774   9.2112   1.8200   5.7146   2.0655 3.496555 2.752944 
1 1 1    9   18   29 o   67.876   3.8700  554.081   61.770  599.600   87.375  508.600   87.338   70.060   5.3212   64.283   5.8167 5.777428 7.883457 
1 1 1    9   18   30 o   28.014   2.0588   93.600   13.524   94.900   19.129   92.300   19.123   28.066   2.9295   27.667   2.9738 0.3998051 4.174349 
1 1 1    9   18   31 o   30.955   2.1714  114.349   15.772  116.000   22.310  112.700   22.299   31.013   3.0875   30.555   3.1350 0.4583664 4.400048 
1 1 1    9   18   32 o   54.244   3.2269  353.656   41.146  368.100   58.178  339.200   58.201   54.882   4.5296   52.586   4.7379 2.296257 6.554782 
1 1 1    9   18   33 o   16.419   1.7216   32.323   6.5756   26.200   9.3167   38.400   9.2821   14.568   2.8102   17.825   2.2557 -3.257278 3.603557 
1 1 1    9   18   34 o   34.369   2.3227  141.507   18.740  138.100   26.531  144.900   26.474   33.681   3.3815   34.536   3.2859 -0.8546867 4.715070 
1 1 1    9   18   35 o   20.663   1.7289   51.095   8.3583   58.100   11.911   44.300   11.732   21.930   2.3362   19.039   2.6838 2.890451 3.558184 
1 1 1    9   18   36 o   26.378   2.0210   83.514   12.492   81.400   17.724   85.600   17.610   25.800   2.9630   26.495   2.8601 -0.6950874 4.118210 
1 1 1    9   18   37 o   36.434   2.3447  159.918   20.066  174.600   28.457  145.400   28.298   37.751   3.2231   34.295   3.5455 3.456322 4.791543 
1 1 1    9   18   38 o   51.251   3.0273  320.616   36.475  350.800   51.655  290.600   51.511   52.858   4.1724   47.760   4.6254 5.098183 6.229218 
1 1 1    9   18   39 o   41.475   2.4332  208.068   23.726  242.600   33.667  174.000   33.440   44.401   3.2333   37.242   3.8586 7.159100 5.034172 
1 1 1    9   18   40 o   39.792   2.6341  192.673   24.611  208.200   34.724  177.000   34.887   40.834   3.6394   37.410   4.0118 3.423561 5.416584 
1 1 1    9   18   41 o   23.549   1.9510   66.921   10.751   68.200   15.081   65.600   15.331   23.524   2.7679   23.025   2.8831 0.4991665 3.996677 
1 1 1    9   18   42 o   37.889   2.5590  175.278   22.760  196.500   32.129  153.900   32.247   39.594   3.4715   34.672   4.0129 4.921669 5.306094 
1 1 1    9   18   43 o   16.864   1.8573   34.575   7.2735   41.900   10.136   26.800   10.443   18.425   2.3858   14.440   3.1511 3.985111 3.952428 
1 1 1    9   18   44 o   43.661   2.7770  236.326   28.482  303.400   40.302  169.400   40.257   48.804   3.5207   35.141   4.9917 13.66283 6.108397 
1 1 1    9   18   45 o   5.7390   1.7985   3.9496   2.7109   6.2000   3.5738   0.9000   4.1602   7.0604   2.0332   5.0743   2.1080 1.986113 2.928755 
1 1 1    9   18   46 o   37.208   3.7673  182.600   32.644  182.600   32.644   0.0000   0.0000   37.208   3.7673  ?   ?  0.000000 3.767312 
1 1 1    9   18   47 o   21.768   2.7693   60.200   13.913   60.200   13.913   0.0000   0.0000   21.768   2.7693  ?   ?  0.000000 2.769345 
1 1 1    9   18   48 o   13.948   2.5035   24.900   7.9423   24.900   7.9423   0.0000   0.0000   13.948   2.5035  ?   ?  0.000000 2.503482 
1 1 1    9   18   49 o   12.040   2.5212   18.900   6.9380   18.900   6.9380   0.0000   0.0000   12.040   2.5212  ?   ?  0.000000 2.521208 
1 1 1    9   18   50 o   23.510   3.0147   74.700   16.351   74.700   16.351   0.0000   0.0000   23.510   3.0147  ?   ?  0.000000 3.014725 
1 1 1    9   18   51 o   10.540   2.5189   15.200   6.1838   15.200   6.1838   0.0000   0.0000   10.540   2.5189  ?   ?  0.000000 2.518858 
1 1 1    9   18   52 o   3.7694   1.7220  -1.8000   3.4185  -1.8000   3.4185   0.0000   0.0000   3.7694   1.7220  ?   ?  0.000000 1.722039 
1 1 1    9   18   53 o   18.734   3.0672   51.700   13.099   51.700   13.099   0.0000   0.0000   18.734   3.0672  ?   ?  0.000000 3.067213 
1 1 1    9   18   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   19    0 o   91.783   7.3172  1017.40  156.270  1017.40  156.270  1017.40  156.270   91.783   7.3172   91.783   7.3172 -0.000000 0.000000 
1 1 1    9   19    1 o   77.940   4.3464  721.509   79.674  738.800  112.647  704.200  112.706   78.646   6.1137   76.747   6.2739 1.898743 8.760114 
1 1 1    9   19    2 o   67.514   3.8226  541.097   60.691  542.500   85.932  539.700   85.729   67.415   5.4444   67.240   5.4461 0.1757278 7.700786 
1 1 1    9   19    3 o  199.051   10.049  4762.23  470.798  5640.70  666.578  3887.80  665.044  215.347   13.172  177.339   16.055 38.00806 20.76701 
1 1 1    9   19    4 o  103.418   5.2235  1271.32  127.149  1014.90  179.526  1529.40  180.108   91.847   8.3693  113.213   6.7681 -21.36558 10.76352 
1 1 1    9   19    5 o  168.551   8.9581  3405.65  355.259  3677.40  502.643  3134.40  502.182  174.022   12.311  160.181   13.400 13.84143 18.19672 
1 1 1    9   19    6 o  179.465   9.8542  3872.22  416.006  4232.60  587.773  3510.50  588.871  186.244   13.455  168.894   14.919 17.35017 20.09022 
1 1 1    9   19    7 o  137.348   7.1308  2251.39  230.476  2822.40  326.188  1682.10  325.698  153.349   9.0480  117.469   11.906 35.88032 14.95401 
1 1 1    9   19    8 o  115.543   6.3175  1591.13  171.714  1838.20  242.777  1343.80  242.903  123.801   8.3535  105.410   9.8736 18.39113 12.93326 
1 1 1    9   19    9 o   96.350   5.3264  1104.52  120.715  1220.10  170.630  988.700  170.804  100.973   7.2035   90.677   8.0610 10.29626 10.81070 
1 1 1    9   19   10 o   13.793   1.6861   22.807   5.3772   24.200   7.5848   21.400   7.6243   14.120   2.3579   13.235   2.5318 0.8852539 3.459714 
1 1 1    9   19   11 o   33.351   2.2464  132.037   17.588  172.600   24.893   91.600   24.854   38.107   2.7856   27.541   3.9334 10.56646 4.819915 
1 1 1    9   19   12 o   42.834   2.6730  217.746   26.902  229.200   38.051  206.300   38.038   43.850   3.7097   41.560   3.9224 2.289848 5.398761 
1 1 1    9   19   13 o   63.247   3.6532  475.056   54.328  518.700   76.781  431.300   76.880   65.944   4.9673   60.024   5.4847 5.919910 7.399766 
1 1 1    9   19   14 o   64.612   3.6437  495.750   55.366  592.100   78.341  399.600   78.259   70.504   4.7330   57.697   5.8238 12.80724 7.504523 
1 1 1    9   19   15 o  117.582   6.0663  1648.98  167.859  2046.20  237.633  1253.40  237.144  130.624   7.7386  101.528   10.022 29.09531 12.66225 
1 1 1    9   19   16 o  150.290   8.1316  2713.90  287.507  3058.40  406.594  2369.40  406.599  158.488   10.931  138.725   12.548 19.76274 16.64160 
1 1 1    9   19   17 o   64.574   3.4896  495.212   53.013  562.000   75.163  429.100   74.782   68.655   4.6639   59.845   5.3482 8.810684 7.096147 
1 1 1    9   19   18 o  149.344   7.8289  2683.79  275.129  3062.40  389.406  2306.40  388.779  158.412   10.469  136.583   12.182 21.82880 16.06258 
1 1 1    9   19   19 o  186.030   9.4799  4207.58  415.058  4956.10  587.836  3463.40  586.128  199.837   12.520  165.010   15.214 34.82712 19.70326 
1 1 1    9   19   20 o  119.702   6.2761  1719.60  176.782  1988.20  250.243  1452.00  249.773  127.970   8.3265  108.669   9.8405 19.30165 12.89049 
1 1 1    9   19   21 o   92.547   4.8327  1023.36  105.246  1193.60  149.054  854.100  148.629   99.548   6.3744   83.774   7.5959 15.77385 9.916194 
1 1 1    9   19   22 o   32.625   2.2249  126.541   17.038  124.700   24.037  128.400   24.155   32.266   3.1969   32.751   3.1627 -0.4848709 4.497007 
1 1 1    9   19   23 o  186.150   10.456  4344.75  457.754  4670.80  647.308  4018.60  647.418  187.802   14.714  172.342   16.095 15.46056 21.80719 
1 1 1    9   19   24 o   55.066   3.2586  361.626   42.183  379.700   59.613  343.500   59.699   56.174   4.5327   53.352   4.7897 2.822475 6.594434 
1 1 1    9   19   25 o   29.092   2.1126  100.766   14.414  106.700   20.357   94.800   20.413   29.831   2.9276   28.068   3.1333 1.762861 4.288150 
1 1 1    9   19   26 o   48.692   2.8556  282.728   32.689  307.000   46.395  258.800   46.066   50.532   3.9188   46.291   4.2621 4.240780 5.789886 
1 1 1    9   19   27 o   98.184   5.5152  1173.45  127.350  1239.70  180.030  1107.10  180.169   99.519   7.7213   93.660   8.2299 5.859459 11.28495 
1 1 1    9   19   28 o   17.375   1.7228   36.099   6.9755   37.100   9.8692   35.100   9.8605   17.506   2.4549   17.005   2.5329 0.5010796 3.527385 
1 1 1    9   19   29 o   13.312   1.6440   21.301   5.0581   21.500   7.1332   21.100   7.1735   13.258   2.3653   13.124   2.4033 0.1334944 3.371984 
1 1 1    9   19   30 o   62.672   3.6089  472.517   53.183  518.800   75.239  426.300   75.185   65.170   4.9255   58.806   5.4774 6.364590 7.366274 
1 1 1    9   19   31 o   28.951   2.0813  100.036   14.134  108.200   20.005   91.900   19.970   29.978   2.8608   27.551   3.1249 2.426670 4.236620 
1 1 1    9   19   32 o   33.109   2.2284  130.968   17.321  122.300   24.451  139.700   24.541   31.761   3.3086   34.021   3.0885 -2.259993 4.526103 
1 1 1    9   19   33 o   73.995   4.2503  668.951   73.953  667.100  104.605  670.800  104.566   72.574   6.1622   72.793   6.1406 -0.2189865 8.699434 
1 1 1    9   19   34 o   17.303   1.6464   35.864   6.6459   42.000   9.4660   29.900   9.3327   18.643   2.1921   15.598   2.6272 3.045724 3.421617 
1 1 1    9   19   35 o   56.851   3.3144  393.170   44.302  421.000   62.743  365.500   62.562   58.052   4.6151   53.828   4.9783 4.223549 6.788449 
1 1 1    9   19   36 o   28.116   2.0698   94.946   13.645   96.100   19.334   93.800   19.262   28.042   2.9647   27.692   2.9933 0.3501053 4.212931 
1 1 1    9   19   37 o   71.078   4.0664  629.602   67.967  695.500   96.229  564.000   96.012   73.006   5.6253   64.884   6.3479 8.122749 8.481698 
1 1 1    9   19   38 o   26.822   1.9926   86.568   12.530   91.800   17.776   81.400   17.666   27.387   2.7875   25.713   2.9638 1.673275 4.068684 
1 1 1    9   19   39 o   59.761   3.3338  439.957   46.858  507.200   66.413  373.300   66.123   63.142   4.4833   53.359   5.3188 9.783600 6.956247 
1 1 1    9   19   40 o   6.1200   1.8498   4.5139   2.8999  -0.8000   4.3124   8.9000   3.9179   4.7092   2.0552   8.4511   1.9953 -3.741839 2.864435 
1 1 1    9   19   41 o   20.341   1.5973   49.668   7.6105   60.400   10.911   39.500   10.620   22.320   2.0947   17.871   2.5923 4.449413 3.332864 
1 1 1    9   19   42 o   10.666   1.7453   13.970   4.2434   20.400   5.9918   7.5000   6.0105   12.865   2.0404   8.0314   2.6909 4.833901 3.377040 
1 1 1    9   19   43 o   27.903   2.2151   95.017   14.475  116.200   20.368   73.400   20.575   30.559   2.8556   23.760   3.7950 6.799404 4.749369 
1 1 1    9   19   44 o   48.884   3.1853  301.424   36.568  338.500   51.629  264.100   51.801   50.422   4.3797   43.626   5.1262 6.796753 6.742405 
1 1 1    9   19   45 o   17.688   1.8126   38.192   7.4641   46.800   10.531   29.500   10.581   19.399   2.3466   15.061   3.0792 4.338395 3.871436 
1 1 1    9   19   46 o   25.656   2.9795   84.000   17.715   84.000   17.715   0.0000   0.0000   25.656   2.9795  ?   ?  0.000000 2.979512 
1 1 1    9   19   47 o   49.369   5.0229  351.400   57.740  351.400   57.740   0.0000   0.0000   49.369   5.0229  ?   ?  0.000000 5.022906 
1 1 1    9   19   48 o   29.570   3.2782  115.000   22.505  115.000   22.505   0.0000   0.0000   29.570   3.2782  ?   ?  0.000000 3.278246 
1 1 1    9   19   49 o   30.385   3.4253  125.700   24.148  125.700   24.148   0.0000   0.0000   30.385   3.4253  ?   ?  0.000000 3.425292 
1 1 1    9   19   50 o   4.5158   1.8518   1.1000   3.1550   1.1000   3.1550   0.0000   0.0000   4.5158   1.8518  ?   ?  0.000000 1.851779 
1 1 1    9   19   51 o  ?   ?   -7.2000   1.0912  -7.2000   1.0912   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   19   52 o   9.5472   2.7369   13.100   6.4888   13.100   6.4888   0.0000   0.0000   9.5472   2.7369  ?   ?  0.000000 2.736888 
1 1 1    9   19   53 o   7.6568   2.6589   8.0000   5.8784   8.0000   5.8784   0.0000   0.0000   7.6568   2.6589  ?   ?  0.000000 2.658861 
1 1 1    9   20    0 o   13.202   2.8261   23.200   7.7376   23.200   7.7376   23.200   7.7376   13.202   2.8261   13.202   2.8261 -0.000000 0.000000 
1 1 1    9   20    1 o   47.026   2.8423  262.388   31.414  275.600   44.446  249.200   44.405   48.094   3.9484   45.692   4.1613 2.402287 5.736394 
1 1 1    9   20    2 o  144.305   7.7675  2489.20  263.706  2513.70  372.935  2464.70  372.939  144.122   11.042  142.666   11.159 1.455948 15.69886 
1 1 1    9   20    3 o  171.653   9.0010  3533.17  363.568  3937.50  514.565  3130.10  513.760  180.115   12.170  159.890   13.741 20.22571 18.35533 
1 1 1    9   20    4 o  199.297   10.716  4789.16  502.474  4917.10  710.706  4661.30  710.506  199.897   15.170  194.369   15.612 5.527786 21.76808 
1 1 1    9   20    5 o   92.151   5.0087  1009.62  108.581  1083.60  153.642  935.800  153.471   95.194   6.8814   88.330   7.4269 6.863808 10.12479 
1 1 1    9   20    6 f  189.702   9.9565  4329.10  444.449  4842.70  628.975  3816.90  628.117  199.182   13.452  175.885   15.275 23.29643 20.35368 
1 1 1    9   20    7 o  264.090   14.540  8545.07  903.267  8845.60  1276.11  8243.30  1278.72  263.943   20.639  253.984   21.523 9.959290 29.81979 
1 1 1    9   20    8 o   64.806   3.7329  498.668   56.883  576.400   80.410  420.800   80.479   69.556   4.9276   59.249   5.8277 10.30666 7.631668 
1 1 1    9   20    9 o  138.868   10.772  2335.60  350.468  2335.60  350.468   0.0000   0.0000  138.868   10.772  ?   ?  0.000000 10.77196 
1 1 1    9   20   10 o   90.210   4.7036  967.208   99.847  1222.30  141.412  713.600  141.000  101.258   5.9402   76.930   7.8726 24.32737 9.862271 
1 1 1    9   20   11 o  125.848   6.7676  1891.12  200.374  2186.60  283.437  1595.90  283.308  134.804   8.9551  114.618   10.587 20.18588 13.86654 
1 1 1    9   20   12 o  134.683   7.1787  2168.98  227.486  2593.90  321.817  1744.60  321.609  146.708   9.3381  119.518   11.539 27.19012 14.84409 
1 1 1    9   20   13 o  118.736   6.5289  1683.62  182.353  1977.90  257.791  1388.90  257.981  128.225   8.5632  106.858   10.354 21.36641 13.43616 
1 1 1    9   20   14 o  108.821   5.3621  1406.75  137.787  1865.40  195.192  951.200  194.531  124.937   6.6400   88.442   9.4615 36.49540 11.55895 
1 1 1    9   20   15 o  159.491   8.4819  3061.14  318.292  3706.60  450.311  2416.70  449.954  174.463   10.987  139.435   13.849 35.02783 17.67777 
1 1 1    9   20   16 o  154.315   8.4140  2869.11  305.444  3055.00  431.775  2682.90  432.150  157.816   11.669  147.418   12.533 10.39818 17.12441 
1 1 1    9   20   17 o  176.735   9.2372  3784.22  384.161  4309.10  543.743  3261.10  542.828  186.760   12.400  161.102   14.422 25.65849 19.01971 
1 1 1    9   20   18 o  207.569   11.410  5306.65  557.125  5304.20  787.863  5309.10  787.925  202.952   16.585  203.053   16.577 -0.1012115 23.44917 
1 1 1    9   20   19 o   91.086   5.0193  991.242  107.543  1011.90  152.119  970.600  152.057   91.504   7.0957   89.560   7.2523 1.943718 10.14616 
1 1 1    9   20   20 o  134.280   7.1905  2178.95  227.171  2351.10  321.553  2007.40  320.983  138.090   9.9274  127.052   10.801 11.03781 14.67049 
1 1 1    9   20   21 o  110.609   6.0554  1473.27  157.559  1534.50  222.872  1412.10  222.771  111.847   8.5022  107.083   8.8904 4.764320 12.30149 
1 1 1    9   20   22 o   54.244   3.1925  350.497   40.712  353.400   57.605  347.600   57.546   54.227   4.5405   53.770   4.5758 0.4571953 6.446254 
1 1 1    9   20   23 o   68.550   3.8769  561.675   62.498  546.100   88.316  577.300   88.455   67.138   5.6225   69.089   5.4666 -1.950874 7.841941 
1 1 1    9   20   24 o  121.522   6.7441  1803.68  192.768  1865.30  272.540  1742.00  272.691  121.575   9.5708  117.166   9.9503 4.409309 13.80611 
1 1 1    9   20   25 o   17.430   1.7220   36.304   6.9951   37.700   9.8772   34.900   9.9080   17.664   2.4325   16.963   2.5526 0.7011471 3.526007 
1 1 1    9   20   26 o   77.980   4.4491  733.019   81.585  769.400  115.270  696.500  115.488   79.138   6.2184   75.100   6.5786 4.037941 9.052454 
1 1 1    9   20   27 o   47.340   2.8543  267.656   31.758  242.700   44.874  292.700   44.953   44.741   4.3004   49.279   3.8948 -4.538174 5.801967 
1 1 1    9   20   28 o   62.788   3.6337  473.553   53.644  478.300   75.842  468.800   75.885   62.558   5.1808   61.906   5.2403 0.6521339 7.368956 
1 1 1    9   20   29 o   40.328   2.5465  194.228   24.126  215.600   34.137  172.900   34.101   42.305   3.4472   37.748   3.8810 4.556751 5.190872 
1 1 1    9   20   30 o   47.016   2.8561  264.630   31.559  257.800   44.566  271.500   44.696   46.054   4.1423   47.303   4.0402 -1.248932 5.786337 
1 1 1    9   20   31 o   49.846   3.0050  298.197   35.205  313.200   49.792  283.200   49.783   50.706   4.1962   48.115   4.4315 2.591469 6.102941 
1 1 1    9   20   32 o   28.590   2.0833   97.699   13.968   96.600   19.745   98.800   19.763   28.242   3.0069   28.573   2.9725 -0.3311729 4.228160 
1 1 1    9   20   33 o   19.726   1.7827   46.596   8.2139   45.800   11.590   47.400   11.643   19.404   2.5945   19.753   2.5560 -0.3496647 3.642026 
1 1 1    9   20   34 o   51.068   3.0972  315.758   37.172  311.500   52.621  320.000   52.518   50.042   4.5013   50.767   4.4252 -0.7252960 6.312190 
1 1 1    9   20   35 o   10.473   1.7070   13.382   4.0763   9.8000   5.8339   16.800   5.6981   8.9404   2.6045   11.679   2.1452 -2.738461 3.374209 
1 1 1    9   20   36 o   12.647   1.6430   19.349   4.7909   19.400   6.8135   19.300   6.7379   12.511   2.3934   12.482   2.3727 0.2900600E-01 3.370167 
1 1 1    9   20   37 o   14.067   1.6774   23.907   5.4620   23.300   7.7685   24.500   7.6810   13.707   2.4920   14.087   2.3948 -0.3801718 3.456186 
1 1 1    9   20   38 o   65.801   3.8778  539.912   59.986  577.000   84.876  502.900   84.790   66.336   5.4672   61.389   5.9226 4.946537 8.060261 
1 1 1    9   20   39 o   14.487   1.5818   25.302   5.3233   29.800   7.6596   21.100   7.4034   15.617   2.1328   13.010   2.5006 2.606995 3.286627 
1 1 1    9   20   40 o   59.938   3.4030  445.020   47.966  500.100   68.008  390.500   67.662   62.309   4.6559   54.320   5.3442 7.989155 7.087861 
1 1 1    9   20   41 o   18.317   1.5300   40.301   6.5570   52.400   9.4569   29.100   9.0993   20.803   1.9478   15.269   2.6180 5.533940 3.263101 
1 1 1    9   20   42 o   17.161   1.7593   35.682   7.0285   34.300   10.059   37.000   9.8245   16.557   2.6632   17.270   2.4803 -0.7131119 3.639286 
1 1 1    9   20   43 o   38.095   2.6774  179.357   23.932  205.200   33.680  153.000   34.014   40.060   3.5988   33.978   4.3383 6.082771 5.636700 
1 1 1    9   20   44 o   7.4369   1.8590   6.9418   3.2558   8.0000   4.4309   5.7000   4.7999   7.9808   2.2527   7.0472   2.4045 0.9336333 3.294902 
1 1 1    9   20   45 o   3.7758   1.5177   0.8163   2.0703   2.9000   2.4301  -4.7000   3.9539   5.0647   1.7110   3.6166   1.7164 1.448030 2.423521 
1 1 1    9   20   46 o   26.649   3.0398   90.900   18.787   90.900   18.787   0.0000   0.0000   26.649   3.0398  ?   ?  0.000000 3.039829 
1 1 1    9   20   47 o   29.766   3.2612  115.500   22.547  115.500   22.547   0.0000   0.0000   29.766   3.2612  ?   ?  0.000000 3.261187 
1 1 1    9   20   48 o   26.956   3.1358   95.700   19.587   95.700   19.587   0.0000   0.0000   26.956   3.1358  ?   ?  0.000000 3.135782 
1 1 1    9   20   49 o   7.3891   2.2592   7.0000   4.3076   7.0000   4.3076   0.0000   0.0000   7.3891   2.2592  ?   ?  0.000000 2.259218 
1 1 1    9   20   50 o   7.6104   2.5713   7.5000   5.4881   7.5000   5.4881   0.0000   0.0000   7.6104   2.5713  ?   ?  0.000000 2.571252 
1 1 1    9   20   51 o   10.721   2.7428   16.300   6.9720   16.300   6.9720   0.0000   0.0000   10.721   2.7428  ?   ?  0.000000 2.742800 
1 1 1    9   20   52 o   14.904   2.9819   32.500   10.128   32.500   10.128   0.0000   0.0000   14.904   2.9819  ?   ?  0.000000 2.981933 
1 1 1    9   20   53 f   10.885   2.8596   17.600   7.4452   17.600   7.4452   0.0000   0.0000   10.885   2.8596  ?   ?  0.000000 2.859560 
1 1 1    9   21    0 o  199.673   15.604  4883.90  725.390  4883.90  725.390  4883.90  725.390  199.673   15.604  199.673   15.604 -0.000000 0.000000 
1 1 1    9   21    1 o  236.935   12.614  6818.02  703.206  7481.10  994.959  6156.20  994.009  245.281   17.289  221.078   19.232 24.20335 25.86096 
1 1 1    9   21    2 o  207.614   11.196  5207.71  546.852  5141.60  773.437  5273.80  773.296  203.783   16.207  206.531   15.981 -2.747726 22.76046 
1 1 1    9   21    3 o  198.611   10.269  4750.17  479.971  4038.00  678.199  5464.80  679.365  180.508   16.079  211.507   13.676 -30.99825 21.10851 
1 1 1    9   21    4 o  240.729   12.737  7045.06  721.432  7829.20  1020.94  6263.00  1019.58  250.784   17.347  222.604   19.596 28.18089 26.17107 
1 1 1    9   21    5 o  131.049   6.3975  2041.71  197.971  2500.90  280.571  1586.40  279.381  144.481   8.2580  114.411   10.457 30.06943 13.32429 
1 1 1    9   21    6 o   53.925   3.1929  345.127   40.476  412.400   57.230  277.800   57.253   58.870   4.1433   48.131   5.1159 10.73899 6.583283 
1 1 1    9   21    7 o  221.195   11.998  5938.56  624.315  6880.20  882.884  4996.80  882.946  235.723   15.955  198.758   19.046 36.96471 24.84575 
1 1 1    9   21    8 o   73.548   4.0849  642.547   70.664  745.500   99.984  539.800   99.884   79.074   5.3868   67.073   6.3834 12.00108 8.352584 
1 1 1    9   21    9 o  153.996   7.6618  2830.64  278.615  3577.10  394.633  2088.80  393.412  172.281   9.7404  130.405   12.947 41.87599 16.20190 
1 1 1    9   21   10 f   66.742   3.2640  527.012   51.442  756.900   73.013  300.400   72.491   79.952   3.8673   49.866   6.2966 30.08663 7.389398 
1 1 1    9   21   11 o  180.298   14.133  4010.10  596.890  4010.10  596.890   0.0000   0.0000  180.298   14.133  ?   ?  0.000000 14.13300 
1 1 1    9   21   12 o   37.604   3.4876  168.800   30.616  168.800   30.616   0.0000   0.0000   37.604   3.4876  ?   ?  0.000000 3.487615 
1 1 1    9   21   13 o  122.251   9.5310  1810.50  272.964  1810.50  272.964   0.0000   0.0000  122.251   9.5310  ?   ?  0.000000 9.530987 
1 1 1    9   21   14 o   96.982   5.2436  1120.96  119.638  1299.80  169.283  942.500  169.105  104.109   6.9255   88.279   8.2061 15.82919 10.73786 
1 1 1    9   21   15 o  127.425   6.8242  1945.53  204.591  2317.20  289.440  1574.40  289.231  138.410   8.9031  113.251   10.952 25.15839 14.11425 
1 1 1    9   21   16 o   19.258   1.7282   44.179   7.7756   49.000   11.141   39.600   10.857   20.217   2.3792   18.111   2.6146 2.106228 3.535051 
1 1 1    9   21   17 o   61.538   3.5049  450.329   50.720  483.200   71.806  417.600   71.652   63.557   4.8204   58.993   5.1966 4.563526 7.088101 
1 1 1    9   21   18 o   48.784   2.7895  282.694   32.000  340.100   45.337  225.700   45.174   53.423   3.6151   43.338   4.4788 10.08502 5.755770 
1 1 1    9   21   19 o   59.008   3.4166  414.439   47.402  424.300   67.074  404.600   67.000   59.475   4.8173   58.046   4.9349 1.428825 6.896376 
1 1 1    9   21   20 o   22.152   1.7845   58.399   9.2554   71.300   13.194   45.900   12.987   24.435   2.3142   19.466   2.9151 4.969055 3.721998 
1 1 1    9   21   21 o   58.301   3.3962  405.156   46.553  399.300   65.869  411.000   65.803   57.585   4.8903   58.446   4.8106 -0.8613243 6.859771 
1 1 1    9   21   22 o   19.258   1.7883   44.250   8.0397   42.400   11.370   46.100   11.370   18.728   2.6446   19.562   2.5200 -0.8343735 3.652968 
1 1 1    9   21   23 o  114.330   5.7618  1582.29  155.054  1900.40  219.750  1266.90  218.811  124.268   7.5242  100.256   9.3506 24.01232 12.00193 
1 1 1    9   21   24 o   46.047   2.7930  252.772   30.225  241.800   42.690  263.800   42.800   44.786   4.0814   46.834   3.9058 -2.047539 5.649173 
1 1 1    9   21   25 o   51.125   3.0699  312.265   36.889  323.200   52.133  301.300   52.204   51.727   4.3073   49.885   4.4795 1.841797 6.214400 
1 1 1    9   21   26 o   81.701   4.6396  806.803   89.141  870.000  126.012  743.500  126.118   83.990   6.4019   77.296   6.9852 6.694275 9.475062 
1 1 1    9   21   27 o   59.174   3.4305  419.872   47.729  449.800   67.531  390.000   67.468   60.839   4.7380   56.492   5.1130 4.347160 6.970787 
1 1 1    9   21   28 o   76.293   3.9289  701.061   70.541  832.300  100.102  571.600   99.422   82.571   5.1598   67.822   6.2792 14.74841 8.127214 
1 1 1    9   21   29 o   26.525   2.0188   83.964   12.550   88.400   17.719   79.500   17.776   27.090   2.8109   25.639   2.9924 1.450258 4.105587 
1 1 1    9   21   30 o   41.200   2.6123  203.103   25.283  220.400   35.753  185.800   35.758   42.684   3.5803   39.068   3.9294 3.616474 5.315913 
1 1 1    9   21   31 o   56.183   3.3302  380.361   43.984  402.900   62.188  357.800   62.218   57.299   4.6359   53.833   4.9499 3.465302 6.781821 
1 1 1    9   21   32 o   47.941   2.9343  276.655   33.058  282.500   46.729  270.800   46.773   47.989   4.1650   46.935   4.2668 1.054073 5.962599 
1 1 1    9   21   33 o   54.952   3.2869  366.107   42.456  385.400   60.030  346.800   60.052   55.700   4.6053   52.658   4.8851 3.041992 6.713681 
1 1 1    9   21   34 o   33.427   2.2890  134.300   17.959  133.700   25.388  134.900   25.407   33.042   3.2979   33.196   3.2842 -0.1541176 4.654299 
1 1 1    9   21   35 o   43.369   2.7237  227.593   27.752  229.900   39.311  225.300   39.184   43.045   3.9101   42.594   3.9405 0.4517555 5.551230 
1 1 1    9   21   36 o   8.5485   1.6233   8.9832   3.1569   15.300   4.5460   3.1000   4.3873   11.193   1.7795   5.9782   2.2637 5.215285 2.879381 
1 1 1    9   21   37 o   14.118   1.6168   24.044   5.2927   28.700   7.5307   19.500   7.4403   15.331   2.1385   12.485   2.6078 2.845422 3.372479 
1 1 1    9   21   38 f   15.189   1.6375   27.814   5.7805   31.600   8.2718   24.200   8.0812   16.068   2.2411   13.949   2.5472 2.118480 3.392800 
1 1 1    9   21   39 o   38.910   2.5493  183.959   23.294  179.200   32.975  188.700   32.910   37.794   3.7441   38.859   3.6285 -1.064674 5.213830 
1 1 1    9   21   40 o   26.863   2.0087   87.106   12.650   91.900   17.973   82.400   17.807   27.312   2.8278   25.789   2.9790 1.523275 4.107432 
1 1 1    9   21   41 o   19.443   1.7994   45.707   8.1676   45.200   11.632   46.200   11.471   19.077   2.6540   19.316   2.5794 -0.2391052 3.700928 
1 1 1    9   21   42 o   17.378   1.6926   36.552   6.8576   39.200   9.7882   34.000   9.6106   17.796   2.3897   16.501   2.5486 1.294842 3.493673 
1 1 1    9   21   43 o   23.766   1.9785   68.779   11.002   70.500   15.430   67.000   15.692   23.707   2.8111   23.035   2.9528 0.6714115 4.076934 
1 1 1    9   21   44 o   27.443   2.2318   92.643   14.338  113.100   20.159   71.700   20.397   29.953   2.8859   23.219   3.8553 6.733295 4.815737 
1 1 1    9   21   45 f   9.8992   1.7556   12.172   3.9536   10.700   5.3125   14.000   5.9190   9.1511   2.4210   10.455   2.4417 -1.304183 3.438463 
1 1 1    9   21   46 o   3.5648   1.4800   0.4000   2.0487   0.4000   2.0487   0.0000   0.0000   3.5648   1.4800  ?   ?  0.000000 1.479954 
1 1 1    9   21   47 o   23.403   2.8942   70.600   15.653   70.600   15.653   0.0000   0.0000   23.403   2.8942  ?   ?  0.000000 2.894211 
1 1 1    9   21   48 o   18.830   2.7066   46.200   11.689   46.200   11.689   0.0000   0.0000   18.830   2.7066  ?   ?  0.000000 2.706552 
1 1 1    9   21   49 o   18.203   2.8283   44.700   11.762   44.700   11.762   0.0000   0.0000   18.203   2.8283  ?   ?  0.000000 2.828316 
1 1 1    9   21   50 o   7.4955   2.5619   7.3000   5.4490   7.3000   5.4490   0.0000   0.0000   7.4955   2.5619  ?   ?  0.000000 2.561922 
1 1 1    9   21   51 o   26.379   3.5973  106.700   21.823  106.700   21.823   0.0000   0.0000   26.379   3.5973  ?   ?  0.000000 3.597263 
1 1 1    9   21   52 o   7.1860   2.5794   6.7000   5.5678   6.7000   5.5678   0.0000   0.0000   7.1860   2.5794  ?   ?  0.000000 2.579433 
1 1 1    9   22    0 o   85.765   6.8659  888.500  136.999  888.500  136.999  888.500  136.999   85.765   6.8659   85.765   6.8659 -0.000000 0.000000 
1 1 1    9   22    1 o  156.784   8.0392  2942.33  296.628  2452.70  419.018  3434.20  419.975  141.651   12.661  168.592   10.603 -26.94098 16.51423 
1 1 1    9   22    2 o  137.390   6.9887  2253.35  225.983  1814.70  319.208  2694.10  319.970  122.166   11.190  149.713   9.0939 -27.54706 14.41889 
1 1 1    9   22    3 o  147.530   7.8637  2604.95  272.959  2781.80  386.240  2428.50  385.805  151.559   10.864  141.281   11.669 10.27721 15.94351 
1 1 1    9   22    4 o   66.625   3.7183  527.014   58.265  474.400   82.293  579.900   82.506   62.968   5.5928   69.744   5.0437 -6.776783 7.531143 
1 1 1    9   22    5 o  104.426   5.8120  1299.37  142.749  1483.80  201.728  1114.40  202.028  111.241   7.7276   96.040   9.0138 15.20040 11.87280 
1 1 1    9   22    6 o  164.897   8.9115  3267.05  345.709  3281.30  488.046  3252.70  489.770  163.804   12.717  163.037   12.825 0.7670746 18.06137 
1 1 1    9   22    7 o  152.606   7.7314  2787.62  277.696  2430.80  391.725  3148.10  393.727  141.159   11.862  161.335   10.390 -20.17545 15.76895 
1 1 1    9   22    8 o   75.941   4.2107  685.310   75.212  793.400  106.410  577.400  106.321   81.546   5.5592   69.341   6.5718 12.20576 8.607791 
1 1 1    9   22    9 o   86.673   4.8279  893.788   98.419  1054.80  139.148  732.600  139.224   93.941   6.3094   77.956   7.6621 15.98547 9.925556 
1 1 1    9   22   10 o  103.771   5.5587  1283.24  135.716  1551.40  192.024  1015.60  191.839  113.795   7.1830   91.555   8.9894 22.24039 11.50670 
1 1 1    9   22   11 o   61.265   5.0338  448.600   72.179  448.600   72.179   0.0000   0.0000   61.265   5.0338  ?   ?  0.000000 5.033754 
1 1 1    9   22   12 o  162.423   8.4781  3175.34  324.041  4158.00  458.534  2195.00  457.994  184.994   10.540  132.238   14.928 52.75595 18.27438 
1 1 1    9   22   13 o   58.273   3.4350  403.499   47.057  510.500   66.518  296.300   66.580   65.460   4.3277   49.557   5.7991 15.90298 7.235949 
1 1 1    9   22   14 o   96.548   5.3932  1112.73  122.465  1242.50  173.036  982.500  173.349  101.604   7.2599   90.030   8.2456 11.57430 10.98623 
1 1 1    9   22   15 o   61.767   3.6030  453.743   52.324  497.900   73.919  409.400   74.075   64.525   4.8877   58.379   5.4359 6.146057 7.310177 
1 1 1    9   22   16 o  130.316   6.7835  2041.55  208.022  2383.10  294.533  1701.60  293.845  139.917   8.9617  117.356   10.722 22.56122 13.97401 
1 1 1    9   22   17 o  137.827   7.7274  2299.71  250.482  2509.40  353.722  2088.80  354.750  142.480   10.589  129.257   11.751 13.22289 15.81828 
1 1 1    9   22   18 f   24.537   1.8791   71.610   10.805   85.400   15.331   58.000   15.230   26.748   2.4546   21.917   3.0233 4.831177 3.894272 
1 1 1    9   22   19 o   99.059   5.1457  1176.42  119.951  1401.30  169.857  952.700  169.417  107.579   6.7200   88.047   8.2446 19.53287 10.63637 
1 1 1    9   22   20 o   72.572   4.0395  629.280   68.950  668.500   97.659  590.300   97.361   74.409   5.5991   69.790   5.9651 4.618828 8.181260 
1 1 1    9   22   21 o   45.151   2.7797  242.754   29.493  250.400   41.699  235.100   41.720   45.675   3.9037   44.221   4.0400 1.453541 5.617874 
1 1 1    9   22   22 o  182.173   10.317  4215.86  442.001  4426.40  625.213  4005.50  624.956  180.113   14.832  169.858   15.761 10.25450 21.64228 
1 1 1    9   22   23 o   35.825   2.3067  152.785   19.411  175.800   27.520  130.000   27.382   38.327   3.0664   32.828   3.5908 5.498848 4.721936 
1 1 1    9   22   24 o   14.170   1.7210   24.115   5.6401   23.700   8.1277   24.500   7.8332   13.910   2.5690   14.172   2.4280 -0.2616940 3.534847 
1 1 1    9   22   25 o   51.835   3.0885  321.199   37.632  325.300   53.229  317.100   53.211   51.844   4.3892   51.165   4.4485 0.6793480 6.249335 
1 1 1    9   22   26 o   17.571   1.7509   36.927   7.1682   40.600   10.100   33.200   10.175   18.338   2.3893   16.496   2.7058 1.841898 3.609740 
1 1 1    9   22   27 o   73.197   4.1522  646.684   71.472  635.200  101.009  658.200  101.145   71.691   6.0225   73.042   5.9150 -1.351166 8.441457 
1 1 1    9   22   28 o   36.367   2.3956  157.900   20.457  160.200   28.931  155.600   28.931   36.430   3.4026   35.886   3.4569 0.5435867 4.850500 
1 1 1    9   22   29 o   61.567   3.5811  456.747   51.837  465.300   73.320  448.200   73.298   61.519   5.0930   60.322   5.1965 1.196415 7.276184 
1 1 1    9   22   30 o   74.112   4.2309  667.840   73.735  660.700  104.205  675.000  104.350   72.573   6.1383   73.402   6.0750 -0.8291321 8.636201 
1 1 1    9   22   31 o   57.578   3.4202  400.875   46.294  427.800   65.439  373.900   65.500   58.858   4.7488   54.807   5.1204 4.051151 6.983520 
1 1 1    9   22   32 o   34.115   2.3007  139.536   18.426  155.300   26.071  123.800   26.047   35.781   3.1167   31.793   3.5290 3.988174 4.708293 
1 1 1    9   22   33 o   12.006   1.6262   17.436   4.4919   21.600   6.4439   13.500   6.2648   13.293   2.1244   10.407   2.5656 2.885944 3.331007 
1 1 1    9   22   34 o   30.386   2.1722  110.953   15.483  110.100   21.937  111.800   21.855   29.985   3.1451   30.231   3.1057 -0.2460403 4.420066 
1 1 1    9   22   35 f   6.9949   1.6856   6.0593   2.7515   5.2000   4.0439   6.8000   3.7545   6.7214   2.2056   7.4311   2.0653 -0.7096372 3.021582 
1 1 1    9   22   36 o   24.599   1.9598   72.804   11.289   69.800   15.977   75.800   15.954   23.820   2.9004   24.881   2.7621 -1.060368 4.005170 
1 1 1    9   22   37 o   24.383   1.9337   71.544   11.043   72.900   15.651   70.200   15.582   24.380   2.7678   23.904   2.8145 0.4759235 3.947426 
1 1 1    9   22   38 o   14.530   1.6790   25.511   5.6548   24.200   8.0302   26.800   7.9643   13.950   2.5309   14.740   2.3683 -0.7899675 3.466132 
1 1 1    9   22   39 o   34.352   2.2576  142.712   18.211  168.600   25.799  117.000   25.711   37.039   2.9748   30.508   3.6408 6.530611 4.701627 
1 1 1    9   22   40 o   22.875   1.8811   63.180   10.071   66.200   14.289   60.200   14.196   23.170   2.6598   22.036   2.7907 1.134848 3.855227 
1 1 1    9   22   41 o   14.581   1.6535   25.771   5.5923   28.000   8.0576   23.700   7.7678   15.021   2.3486   13.756   2.4827 1.265152 3.417563 
1 1 1    9   22   42 o   31.372   2.2398  120.174   16.484  117.100   23.213  123.300   23.412   30.402   3.2857   31.245   3.2193 -0.8430405 4.599994 
1 1 1    9   22   43 o   29.261   2.1348  104.718   14.649   99.100   20.569  110.500   20.867   27.886   3.1806   29.557   3.0327 -1.670813 4.394737 
1 1 1    9   22   44 o   7.1924   1.7369   6.4880   2.9167   0.9000   3.6343   16.600   4.8889   4.7860   1.9777   11.578   1.8505 -6.791908 2.708469 
1 1 1    9   22   45 o   37.664   3.8079  187.700   33.401  187.700   33.401   0.0000   0.0000   37.664   3.8079  ?   ?  0.000000 3.807860 
1 1 1    9   22   46 o   24.382   2.9340   76.300   16.553   76.300   16.553   0.0000   0.0000   24.382   2.9340  ?   ?  0.000000 2.933999 
1 1 1    9   22   47 o   7.1971   2.1879   6.5000   4.0479   6.5000   4.0479   0.0000   0.0000   7.1971   2.1879  ?   ?  0.000000 2.187854 
1 1 1    9   22   48 o   3.7086   1.6769  -1.5000   3.1399  -1.5000   3.1399   0.0000   0.0000   3.7086   1.6769  ?   ?  0.000000 1.676897 
1 1 1    9   22   49 o   8.8338   2.5652   10.600   5.6675   10.600   5.6675   0.0000   0.0000   8.8338   2.5652  ?   ?  0.000000 2.565233 
1 1 1    9   22   50 o   7.5350   2.5338   7.5000   5.3290   7.5000   5.3290   0.0000   0.0000   7.5350   2.5338  ?   ?  0.000000 2.533759 
1 1 1    9   22   51 f   12.222   2.8335   21.600   8.0183   21.600   8.0183   0.0000   0.0000   12.222   2.8335  ?   ?  0.000000 2.833492 
1 1 1    9   22   52 o  ?   ?  -10.2000   1.2779 -10.2000   1.2779   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   23    0 o  115.306   9.0725  1610.50  243.507  1610.50  243.507  1610.50  243.507  115.306   9.0725  115.306   9.0725 0.000000 0.000000 
1 1 1    9   23    1 o  160.100   8.6259  3077.10  324.902  3018.90  459.475  3135.30  459.487  157.170   12.483  160.294   12.232 -3.124313 17.47681 
1 1 1    9   23    2 o  117.285   5.9406  1639.02  163.991  1360.20  231.512  1919.80  232.326  106.076   9.3378  126.557   7.8123 -20.48078 12.17480 
1 1 1    9   23    3 o   66.839   3.7921  530.598   59.605  528.100   84.257  533.100   84.331   66.478   5.4145   66.797   5.3924 -0.3194122 7.641643 
1 1 1    9   23    4 o   80.721   4.5385  774.760   86.158  885.100  121.785  664.200  121.907   86.077   6.0297   74.332   7.0287 11.74551 9.260695 
1 1 1    9   23    5 o  116.213   6.3661  1611.85  174.034  1687.80  245.877  1535.60  246.366  118.344   8.8629  112.724   9.3397 5.620224 12.87561 
1 1 1    9   23    6 o   58.350   3.4167  404.303   46.872  419.600   66.173  388.900   66.401   59.291   4.7667   57.037   4.9801 2.254173 6.893668 
1 1 1    9   23    7 o  117.234   6.3839  1641.20  176.061  1876.30  248.962  1406.00  249.013  124.851   8.4951  107.602   9.9117 17.24869 13.05411 
1 1 1    9   23    8 o  155.852   8.5001  2920.99  311.639  3501.20  440.634  2340.30  440.814  169.636   11.061  137.390   13.773 32.24545 17.66436 
1 1 1    9   23    9 o  181.064   9.7480  3964.21  415.247  4436.50  587.398  3492.40  587.099  189.759   13.191  167.217   15.029 22.54193 19.99680 
1 1 1    9   23   10 o   99.341   5.4297  1176.71  126.888  1363.20  179.463  990.300  179.429  106.573   7.1730   90.435   8.5021 16.13776 11.12374 
1 1 1    9   23   11 o   99.417   5.4114  1178.96  126.558  1428.60  179.031  929.600  178.929  109.115   6.9850   87.474   8.7810 21.64143 11.22035 
1 1 1    9   23   12 o  128.268   7.0304  1974.28  212.131  2005.30  299.131  1942.90  300.873  128.253   9.9551  126.137   10.188 2.115891 14.24449 
1 1 1    9   23   13 o   67.881   3.8203  548.094   60.988  690.300   86.282  406.100   86.218   76.051   4.8296   57.957   6.4070 18.09446 8.023342 
1 1 1    9   23   14 o   64.863   3.8018  500.769   57.975  563.600   81.847  437.500   82.133   68.618   5.0876   60.264   5.8451 8.353329 7.749086 
1 1 1    9   23   15 o   52.147   3.2076  323.446   39.306  376.100   55.458  270.300   55.716   56.106   4.2168   47.369   5.0594 8.737183 6.586263 
1 1 1    9   23   16 o   59.039   3.2561  414.516   45.219  498.100   64.097  331.700   63.802   64.587   4.2260   52.469   5.2187 12.11808 6.715215 
1 1 1    9   23   17 o  141.083   6.9765  2401.29  232.420  2967.30  329.277  1839.30  328.109  155.501   9.0060  120.740   11.653 34.76078 14.72746 
1 1 1    9   23   18 o   52.373   3.1054  326.548   38.234  351.100   54.073  302.000   54.068   54.121   4.2657   50.100   4.6224 4.020515 6.289882 
1 1 1    9   23   19 o   80.696   4.5253  780.068   85.883  794.700  121.380  765.400  121.533   80.876   6.4082   79.312   6.5478 1.563454 9.161819 
1 1 1    9   23   20 o   48.784   2.9348  283.524   33.650  274.300   47.522  292.800   47.655   47.743   4.2600   49.366   4.1259 -1.623436 5.930467 
1 1 1    9   23   21 o   85.682   4.5097  881.417   90.921  1030.70  128.857  733.400  128.309   92.120   5.9555   77.166   7.1219 14.95454 9.283881 
1 1 1    9   23   22 o  111.914   5.9699  1524.05  157.198  1406.40  221.470  1643.50  223.163  105.551   8.9707  114.675   8.2972 -9.124092 12.21954 
1 1 1    9   23   23 o  128.045   7.2836  2031.24  219.316  2355.70  310.021  1706.20  310.297  135.453   9.7580  113.136   11.788 22.31644 15.30276 
1 1 1    9   23   24 o   50.698   3.0602  307.226   36.464  287.700   51.602  326.700   51.533   48.695   4.5400   52.003   4.2333 -3.308117 6.207472 
1 1 1    9   23   25 o  145.216   8.2217  2668.29  280.770  2533.80  396.905  2803.00  397.233  135.711   12.527  143.912   11.793 -8.201477 17.20438 
1 1 1    9   23   26 o   14.051   1.6760   23.711   5.4510   27.500   7.6977   19.900   7.7202   15.060   2.2322   12.700   2.6596 2.360338 3.472228 
1 1 1    9   23   27 o   44.902   2.7589  241.080   29.111  237.400   41.057  244.800   41.283   44.261   3.9705   44.963   3.9277 -0.7017860 5.585000 
1 1 1    9   23   28 o   39.014   2.5165  181.954   23.060  185.600   32.595  178.300   32.628   39.167   3.5632   38.361   3.6458 0.8061905 5.097886 
1 1 1    9   23   29 o   56.097   3.3159  378.747   43.728  397.700   61.846  359.800   61.836   56.981   4.6366   54.069   4.8964 2.912552 6.743347 
1 1 1    9   23   30 o   10.495   1.6310   13.371   3.9109   17.400   5.5871   9.5000   5.4763   11.930   2.0575   8.8138   2.5102 3.116554 3.245691 
1 1 1    9   23   31 o   15.862   1.6783   30.202   6.1909   34.100   8.8099   26.400   8.7016   16.758   2.2860   14.642   2.6125 2.115517 3.471449 
1 1 1    9   23   32 o   46.831   2.9193  265.038   32.122  284.400   45.383  245.600   45.472   48.024   4.0395   44.434   4.3913 3.589901 5.966672 
1 1 1    9   23   33 o   37.155   2.4481  166.250   21.359  166.000   30.209  166.500   30.203   36.747   3.5246   36.805   3.5181 -0.5831146E-01 4.979915 
1 1 1    9   23   34 o   28.898   2.1014  100.387   14.241  105.200   20.167   95.600   20.113   29.340   2.9509   27.905   3.1050 1.434917 4.283607 
1 1 1    9   23   35 o   28.751   2.1080   99.504   14.212   93.800   20.105  105.200   20.092   27.589   3.1421   29.308   2.9429 -1.719183 4.305089 
1 1 1    9   23   36 o   34.323   2.3099  142.228   18.613  147.600   26.376  136.900   26.269   34.595   3.2674   33.252   3.3931 1.343189 4.710495 
1 1 1    9   23   37 o   26.374   2.0224   83.809   12.499   82.000   17.720   85.600   17.633   25.794   2.9630   26.392   2.8760 -0.5976505 4.129265 
1 1 1    9   23   38 o   48.443   3.0213  287.773   34.389  323.400   48.618  252.100   48.649   50.589   4.1052   44.154   4.7401 6.435238 6.270679 
1 1 1    9   23   39 o   10.998   1.6712   14.767   4.2036   14.000   6.0153   15.500   5.8766   10.550   2.4599   11.135   2.3107 -0.5855474 3.374982 
1 1 1    9   23   40 o  ?   ?   -2.2162   0.3996   2.0000   1.0696  -2.9000   0.4307   4.0379   1.0944  ?   ?  0.000000 1.094400 
1 1 1    9   23   41 o   25.857   1.9159   80.969   11.615   96.100   16.498   66.100   16.354   27.933   2.5286   22.878   3.1078 5.055256 4.006488 
1 1 1    9   23   42 o   26.372   2.1757   85.132   13.428   99.300   18.808   70.400   19.178   28.141   2.8704   23.258   3.6088 4.882944 4.611182 
1 1 1    9   23   43 o   5.9573   1.8287   4.3034   2.8192   3.4000   3.4900   6.0000   4.7826   5.6969   2.0425   7.1583   2.4004 -1.461385 3.151745 
1 1 1    9   23   44 o   39.537   2.7762  196.072   25.755  216.100   36.138  175.400   36.715   40.484   3.8256   35.826   4.4346 4.657520 5.856749 
1 1 1    9   23   45 o   25.482   2.9898   83.200   17.648   83.200   17.648   0.0000   0.0000   25.482   2.9898  ?   ?  0.000000 2.989775 
1 1 1    9   23   46 o   19.312   2.7006   47.800   11.979   47.800   11.979   0.0000   0.0000   19.312   2.7006  ?   ?  0.000000 2.700626 
1 1 1    9   23   47 o   20.092   2.8795   53.100   13.270   53.100   13.270   0.0000   0.0000   20.092   2.8795  ?   ?  0.000000 2.879452 
1 1 1    9   23   48 o   29.903   3.6204  127.900   25.044  127.900   25.044   0.0000   0.0000   29.903   3.6204  ?   ?  0.000000 3.620418 
1 1 1    9   23   49 o   13.123   2.8288   24.100   8.5076   24.100   8.5076   0.0000   0.0000   13.123   2.8288  ?   ?  0.000000 2.828825 
1 1 1    9   23   50 o   9.9346   2.7503   14.100   6.6718   14.100   6.6718   0.0000   0.0000   9.9346   2.7503  ?   ?  0.000000 2.750274 
1 1 1    9   23   51 o  ?   ?  -10.0000   1.2348 -10.0000   1.2348   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   23   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   24    0 o   97.727   7.7611  1155.70  176.502  1155.70  176.502  1155.70  176.502   97.727   7.7611   97.727   7.7611 -0.000000 0.000000 
1 1 1    9   24    1 o  169.869   9.1545  3476.25  365.853  3354.50  517.282  3598.10  517.506  165.003   13.392  171.177   12.898 -6.173981 18.59268 
1 1 1    9   24    2 o   38.562   2.4749  176.520   22.417  199.600   31.723  153.500   31.681   40.936   3.3101   35.802   3.8058 5.134060 5.043872 
1 1 1    9   24    3 o  110.501   6.0811  1457.36  158.064  1574.50  223.385  1339.90  223.688  114.343   8.3307  105.232   9.0912 9.111679 12.33082 
1 1 1    9   24    4 o  200.628   11.012  4891.10  519.688  5448.70  734.655  4332.60  735.245  209.333   14.961  185.198   17.002 24.13527 22.64749 
1 1 1    9   24    5 o  174.234   8.8479  3655.28  362.834  4619.20  513.732  2695.90  512.521  194.803   11.215  146.848   14.990 47.95486 18.72168 
1 1 1    9   24    6 o  175.528   9.4775  3722.27  391.370  3688.60  552.797  3756.10  554.167  172.640   13.672  174.278   13.573 -1.637863 19.26518 
1 1 1    9   24    7 o  142.687   7.5866  2443.10  254.701  2318.50  359.414  2568.80  360.993  137.712   11.148  145.230   10.600 -7.517776 15.38287 
1 1 1    9   24    8 o  173.952   9.5471  3663.32  390.660  4076.10  552.232  3249.80  552.722  181.669   12.958  161.104   14.691 20.56459 19.58886 
1 1 1    9   24    9 o   99.371   5.4702  1178.45  127.864  1288.20  180.783  1068.60  180.872  103.450   7.4504   93.966   8.2346 9.484360 11.10481 
1 1 1    9   24   10 o  234.339   13.050  6808.12  719.287  7023.50  1016.25  6591.90  1018.21  232.365   18.679  224.254   19.420 8.111389 26.94488 
1 1 1    9   24   11 o   46.322   2.8915  254.961   31.470  295.900   44.445  213.800   44.566   49.810   3.8076   42.183   4.5458 7.626583 5.929741 
1 1 1    9   24   12 o  185.101   10.203  4193.57  444.246  4283.80  627.498  4102.90  629.022  183.772   14.580  179.490   14.978 4.281418 20.90230 
1 1 1    9   24   13 o  132.790   7.2748  2126.74  227.244  2173.20  321.051  2080.10  321.693  132.845   10.315  129.811   10.587 3.033691 14.78137 
1 1 1    9   24   14 o   38.172   2.4930  173.180   22.348  176.800   31.474  169.500   31.737   38.449   3.5051   37.624   3.6168 0.8248100 5.036572 
1 1 1    9   24   15 o  109.672   5.9256  1445.47  152.888  1576.80  216.366  1314.50  216.068  113.709   8.1113  103.416   8.9357 10.29257 12.06812 
1 1 1    9   24   16 o   82.914   4.4310  821.542   86.441  955.900  122.432  688.000  122.060   89.073   5.8535   75.177   6.9547 13.89565 9.090121 
1 1 1    9   24   17 o   45.762   2.8063  249.203   30.179  255.900   42.671  242.500   42.687   46.200   3.9493   44.945   4.0662 1.255531 5.668406 
1 1 1    9   24   18 o   37.976   2.4684  171.600   22.015  171.800   31.165  171.400   31.104   37.847   3.5279   37.803   3.5250 0.4399872E-01 4.987152 
1 1 1    9   24   19 o   48.751   2.9404  283.198   33.692  279.300   47.637  287.100   47.657   48.179   4.2300   48.864   4.1701 -0.6852112 5.939974 
1 1 1    9   24   20 o  121.066   6.7091  1791.20  191.052  1747.70  270.192  1834.70  270.184  117.336   9.8426  120.457   9.5778 -3.121109 13.73356 
1 1 1    9   24   21 o  103.525   5.7340  1302.36  139.626  1364.30  197.521  1240.50  197.402  104.542   8.0635   99.368   8.4945 5.174179 11.71225 
1 1 1    9   24   22 o   91.496   5.1156  1014.00  110.082  1012.80  155.755  1015.20  155.605   90.235   7.3743   90.352   7.3572 -0.1176605 10.41669 
1 1 1    9   24   23 o   90.708   5.0841  997.959  108.461  1052.50  153.374  943.400  153.399   92.014   7.1141   86.810   7.5587 5.204567 10.38004 
1 1 1    9   24   24 o  108.565   6.0070  1446.55  153.396  1567.40  217.070  1326.00  216.800  111.112   8.3340  101.436   9.1497 9.676674 12.37628 
1 1 1    9   24   25 o   22.556   1.8755   60.715   9.8989   64.300   14.068   57.200   13.932   23.104   2.6251   21.747   2.7763 1.356997 3.820840 
1 1 1    9   24   26 o   49.632   2.9968  294.949   34.958  300.300   49.440  289.600   49.435   49.737   4.2504   48.811   4.3341 0.9266930 6.070422 
1 1 1    9   24   27 f   95.644   5.3989  1124.30  121.436  1183.50  171.743  1065.10  171.731   96.306   7.6141   90.911   8.0840 5.395576 11.10523 
1 1 1    9   24   28 o   4.4711   1.6941   1.6753   2.4580   5.1000   2.9943  -5.4000   4.3038   6.4831   1.8594   3.7620   1.7869 2.721119 2.578842 
1 1 1    9   24   29 o   78.034   4.6374  747.174   85.068  792.200  119.811  701.400  120.803   78.970   6.4822   73.843   7.0121 5.126656 9.549247 
1 1 1    9   24   30 o   44.322   2.7709  236.260   28.855  240.700   40.762  231.800   40.853   44.333   3.9346   43.464   4.0262 0.8694191 5.629522 
1 1 1    9   24   31 o   57.377   3.3829  399.974   45.632  447.900   64.551  352.100   64.516   60.036   4.5881   52.788   5.2451 7.247437 6.968647 
1 1 1    9   24   32 o   25.985   1.9858   80.987   12.092   75.700   17.081   86.300   17.122   24.877   2.9662   26.641   2.7618 -1.764082 4.052897 
1 1 1    9   24   33 o   17.102   1.6962   35.149   6.7596   44.700   9.6109   25.800   9.5090   19.215   2.1553   14.367   2.9028 4.848430 3.615490 
1 1 1    9   24   34 o   37.976   2.4967  174.306   22.264  182.800   31.475  165.800   31.498   38.474   3.5028   36.534   3.7022 1.940228 5.096633 
1 1 1    9   24   35 o   21.788   1.8692   57.105   9.5242   59.500   13.456   54.700   13.482   22.049   2.6368   21.089   2.7748 0.9605522 3.827779 
1 1 1    9   24   36 o   49.668   3.0540  301.892   35.645  327.900   50.417  275.900   50.401   50.969   4.2272   46.408   4.6623 4.561161 6.293373 
1 1 1    9   24   37 o   27.341   2.0204   90.074   12.952   98.300   18.345   81.900   18.288   28.324   2.7787   25.725   3.0713 2.599138 4.141731 
1 1 1    9   24   38 o   29.326   2.1514  103.971   14.794   98.500   20.962  109.400   20.883   28.140   3.2121   29.760   3.0131 -1.619905 4.404166 
1 1 1    9   24   39 o   43.745   2.6721  234.281   27.469  266.300   38.920  202.500   38.775   45.987   3.6131   39.633   4.2075 6.354534 5.545979 
1 1 1    9   24   40 o   35.752   2.2672  155.638   19.042  188.200   26.997  123.400   26.862   38.926   2.9593   31.013   3.7437 7.912312 4.772074 
1 1 1    9   24   41 o   17.776   1.7258   38.307   7.1530   45.000   10.149   31.700   10.084   19.101   2.2960   15.815   2.8027 3.286078 3.623090 
1 1 1    9   24   42 o   40.510   2.7064  204.144   25.740  206.900   36.120  201.300   36.691   39.728   3.9005   39.048   4.0376 0.6805496 5.613947 
1 1 1    9   24   43 o   14.889   1.7677   27.120   6.0933   26.700   8.3436   27.600   8.9197   14.520   2.5251   14.716   2.6650 -0.1954365 3.671248 
1 1 1    9   24   44 o   25.466   2.1635   79.889   12.887   99.900   18.096   59.300   18.356   28.148   2.7580   20.995   3.8443 7.153179 4.731275 
1 1 1    9   24   45 o   6.9714   2.1441   6.0000   3.8733   6.0000   3.8733   0.0000   0.0000   6.9714   2.1441  ?   ?  0.000000 2.144109 
1 1 1    9   24   46 o   15.847   2.8272   32.900   10.192   32.900   10.192   0.0000   0.0000   15.847   2.8272  ?   ?  0.000000 2.827204 
1 1 1    9   24   47 o   12.410   2.7952   20.800   7.9943   20.800   7.9943   0.0000   0.0000   12.410   2.7952  ?   ?  0.000000 2.795160 
1 1 1    9   24   48 o   17.952   2.9146   44.400   11.932   44.400   11.932   0.0000   0.0000   17.952   2.9146  ?   ?  0.000000 2.914592 
1 1 1    9   24   49 o   11.568   2.7353   18.800   7.3541   18.800   7.3541   0.0000   0.0000   11.568   2.7353  ?   ?  0.000000 2.735316 
1 1 1    9   24   50 o   15.688   2.8769   35.200   10.265   35.200   10.265   0.0000   0.0000   15.688   2.8769  ?   ?  0.000000 2.876913 
1 1 1    9   24   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   25    0 o   24.868   2.9426   76.100   16.643   76.100   16.643   76.100   16.643   24.868   2.9426   24.868   2.9426 0.000000 0.000000 
1 1 1    9   25    1 o   74.129   4.1401  653.476   72.182  598.000  102.059  709.000  102.103   70.582   6.1858   76.995   5.6554 -6.412666 8.381432 
1 1 1    9   25    2 o   44.900   2.8534  239.452   30.096  257.600   42.330  220.900   42.798   46.463   3.8941   42.950   4.2767 3.513298 5.783977 
1 1 1    9   25    3 o   90.612   4.9051  977.935  104.563  1153.20  147.965  803.100  147.783   98.130   6.4209   81.518   7.7714 16.61179 10.08086 
1 1 1    9   25    4 o   69.806   3.8703  579.259   63.547  545.200   89.619  613.700   90.121   67.447   5.6798   71.640   5.3663 -4.193451 7.813929 
1 1 1    9   25    5 o  134.204   7.2222  2161.16  228.033  2623.60  322.555  1699.10  322.420  147.142   9.3316  117.341   11.796 29.80060 15.04070 
1 1 1    9   25    6 o   18.252   1.6523   39.686   7.0441   25.700   9.8216   54.500   10.108   14.473   2.9733   21.377   2.0267 -6.904519 3.598351 
1 1 1    9   25    7 o  178.509   9.6084  3869.70  403.526  4647.90  570.801  3092.20  570.543  193.840   12.537  155.915   15.711 37.92590 20.10021 
1 1 1    9   25    8 o   70.316   3.9346  588.246   65.068  671.200   92.078  505.500   91.962   74.916   5.2379   64.803   6.0808 10.11242 8.025695 
1 1 1    9   25    9 o  114.743   6.0187  1576.37  162.507  1987.40  230.025  1166.80  229.614  128.357   7.6234   97.374   10.135 30.98316 12.68169 
1 1 1    9   25   10 f  168.968   13.550  3596.90  536.088  3596.90  536.088   0.0000   0.0000  168.968   13.550  ?   ?  0.000000 13.54998 
1 1 1    9   25   11 o  134.294   7.4137  2177.35  234.189  2512.80  331.070  1841.40  331.315  143.118   9.8564  121.473   11.695 21.64497 15.29451 
1 1 1    9   25   12 o   91.905   5.1640  1010.66  111.615  1098.80  157.656  922.100  158.040   95.307   7.0553   87.037   7.7713 8.269844 10.49622 
1 1 1    9   25   13 o   81.077   4.6312  785.663   88.296  869.900  124.676  700.900  125.065   84.912   6.2622   75.944   7.0546 8.968208 9.433060 
1 1 1    9   25   14 o   21.413   1.8693   54.634   9.3567   65.800   13.212   43.400   13.252   23.452   2.4207   18.891   3.0768 4.561026 3.914916 
1 1 1    9   25   15 o   54.073   3.1949  348.207   40.612  337.600   57.453  358.800   57.417   52.986   4.6385   54.667   4.4874 -1.681068 6.453904 
1 1 1    9   25   16 o   46.388   2.8270  256.142   30.819  261.900   43.617  250.400   43.553   46.723   3.9916   45.662   4.0823 1.061172 5.709473 
1 1 1    9   25   17 o  117.097   6.4454  1665.22  177.535  1715.80  251.147  1614.70  250.998  117.249   9.1433  113.517   9.4496 3.732063 13.14896 
1 1 1    9   25   18 o   80.414   4.4462  775.871   84.100  863.000  119.023  689.000  118.847   84.276   6.0205   74.962   6.7877 9.313805 9.072983 
1 1 1    9   25   19 o  114.273   5.9408  1586.07  159.753  1873.90  226.251  1299.90  225.601  122.997   7.8307  101.196   9.5541 21.80120 12.35312 
1 1 1    9   25   20 o   95.661   5.2531  1108.17  118.208  1027.50  167.036  1189.10  167.307   90.702   7.8771   97.996   7.2821 -7.294609 10.72745 
1 1 1    9   25   21 o   30.171   2.1611  108.462   15.295  106.200   21.689  110.700   21.571   29.701   3.1401   30.347   3.0516 -0.6455059 4.378651 
1 1 1    9   25   22 o   80.724   4.4791  786.223   85.045  728.400  120.140  844.300  120.404   76.680   6.7024   82.866   6.1981 -6.186737 9.128988 
1 1 1    9   25   23 o   65.529   3.7380  515.800   57.601  486.900   81.390  544.800   81.530   63.026   5.5245   66.826   5.2078 -3.799564 7.592191 
1 1 1    9   25   24 o   61.725   3.5892  457.655   52.088  438.600   73.674  476.700   73.653   59.836   5.2680   62.494   5.0337 -2.658306 7.286274 
1 1 1    9   25   25 o   45.489   2.7881  247.434   29.804  262.600   42.172  232.300   42.126   46.603   3.8671   43.740   4.1274 2.862648 5.655956 
1 1 1    9   25   26 o   19.870   1.7987   47.189   8.3478   48.500   11.854   45.900   11.758   20.023   2.5662   19.459   2.6259 0.5639763 3.671611 
1 1 1    9   25   27 o   71.554   4.0907  620.728   68.831  601.300   97.286  640.200   97.397   69.396   5.9957   71.743   5.7987 -2.346809 8.341067 
1 1 1    9   25   28 o   37.530   2.4585  168.658   21.668  183.300   30.635  154.000   30.651   38.901   3.3682   35.534   3.7075 3.366505 5.008982 
1 1 1    9   25   29 o   60.678   3.5518  446.534   50.670  507.500   71.667  385.600   71.648   64.034   4.7739   55.317   5.5605 8.717873 7.328658 
1 1 1    9   25   30 o   20.529   1.8288   50.512   8.7725   67.200   12.402   33.800   12.411   23.622   2.2505   16.445   3.3105 7.177607 4.003032 
1 1 1    9   25   31 o   20.175   1.7870   48.814   8.4252   46.100   11.838   51.600   11.994   19.419   2.6508   20.596   2.5186 -1.176523 3.656487 
1 1 1    9   25   32 o   36.482   2.3816  160.257   20.404  146.900   28.809  173.700   28.902   34.497   3.5892   37.668   3.2822 -3.170975 4.863670 
1 1 1    9   25   33 o   30.574   2.1546  112.462   15.456  106.200   21.468  119.200   22.269   29.400   3.1410   31.193   3.0627 -1.793476 4.387038 
1 1 1    9   25   34 o   42.387   2.6924  217.949   26.809  217.000   37.888  218.900   37.938   41.698   3.8930   41.889   3.8795 -0.1914520 5.495960 
1 1 1    9   25   35 o   31.443   2.2129  119.247   16.326  128.900   23.091  109.600   23.085   32.397   3.0545   29.736   3.3458 2.660648 4.530365 
1 1 1    9   25   36 o   41.682   2.6957  211.333   26.391  237.000   37.298  185.600   37.346   43.630   3.6539   38.258   4.2032 5.371742 5.569350 
1 1 1    9   25   37 o   35.709   2.3971  154.549   20.096  155.200   28.447  153.900   28.392   35.303   3.4568   35.149   3.4659 0.1539764 4.895111 
1 1 1    9   25   38 o   38.474   2.5494  180.570   23.030  208.400   32.557  152.700   32.581   40.844   3.4067   34.516   4.0761 6.328247 5.312294 
1 1 1    9   25   39 o   30.478   2.1062  112.637   15.065  132.100   21.368   93.400   21.243   32.703   2.7938   27.177   3.3836 5.526508 4.387894 
1 1 1    9   25   40 o   20.919   1.8235   53.012   8.9173   56.500   12.681   49.600   12.542   21.346   2.5672   19.917   2.7393 1.429205 3.754288 
1 1 1    9   25   41 o   29.451   2.2006  106.164   15.194  106.900   21.283  105.400   21.698   29.027   3.1559   28.760   3.2521 0.2666054 4.531603 
1 1 1    9   25   42 o   16.342   1.7950   32.612   6.8128   32.100   9.3190   33.200   9.9849   15.949   2.5610   16.166   2.7117 -0.2166758 3.729896 
1 1 1    9   25   43 o  ?   ?   -2.6555   0.6929  -2.3000   0.7179  -7.5000   2.6503   1.1413   0.5752   2.2907   1.1477 -1.149442 1.283742 
1 1 1    9   25   44 o   23.130   1.9491   65.577   10.547   63.800   14.629   67.500   15.218   22.370   2.8330   22.998   2.8643 -0.6285763 4.028659 
1 1 1    9   25   45 o   29.513   3.3865  115.300   23.174  115.300   23.174   0.0000   0.0000   29.513   3.3865  ?   ?  0.000000 3.386476 
1 1 1    9   25   46 o   33.215   3.7602  154.000   28.973  154.000   28.973   0.0000   0.0000   33.215   3.7602  ?   ?  0.000000 3.760218 
1 1 1    9   25   47 o   12.040   2.7220   19.700   7.5573   19.700   7.5573   0.0000   0.0000   12.040   2.7220  ?   ?  0.000000 2.722009 
1 1 1    9   25   48 o   14.110   2.8429   27.800   9.1446   27.800   9.1446   0.0000   0.0000   14.110   2.8429  ?   ?  0.000000 2.842882 
1 1 1    9   25   49 o   4.9873   2.0894   1.2000   4.1365   1.2000   4.1365   0.0000   0.0000   4.9873   2.0894  ?   ?  0.000000 2.089368 
1 1 1    9   25   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   26    0 o  136.936   10.785  2290.80  343.771  2290.80  343.771  2290.80  343.771  136.936   10.785  136.936   10.785 -0.000000 0.000000 
1 1 1    9   26    1 o   93.145   5.1629  1035.32  113.114  1120.00  159.897  950.500  160.038   96.456   7.0694   88.647   7.7225 7.809685 10.46963 
1 1 1    9   26    2 o   31.895   2.2622  120.891   16.927  128.300   23.794  113.300   24.086   32.772   3.1121   30.744   3.3731 2.027887 4.589451 
1 1 1    9   26    3 o   88.696   4.8287  937.977  100.752  883.300  142.195  993.100  142.775   85.575   7.1010   90.872   6.7009 -5.296799 9.763528 
1 1 1    9   26    4 o   20.386   1.8355   49.517   8.7411   51.300   12.303   47.700   12.421   20.664   2.5773   19.895   2.7149 0.7696476 3.743450 
1 1 1    9   26    5 o   79.088   4.1484  744.500   77.204  654.800  108.644  836.000  109.729   73.754   6.2986   83.555   5.5937 -9.801064 8.423919 
1 1 1    9   26    6 o  132.020   7.1998  2098.52  223.603  2109.60  315.879  2087.40  316.566  131.062   10.289  130.327   10.372 0.7355957 14.61013 
1 1 1    9   26    7 o   99.180   5.4609  1176.62  127.401  1239.60  180.139  1113.60  180.206  101.209   7.5928   95.754   8.0444 5.455086 11.06179 
1 1 1    9   26    8 o  105.399   5.7671  1330.91  142.990  1308.60  202.023  1353.30  202.415  103.702   8.3200  105.517   8.1879 -1.815208 11.67325 
1 1 1    9   26    9 o  110.862   5.9776  1474.81  155.905  1743.70  220.602  1206.50  220.364  119.903   7.8345   98.985   9.5462 20.91862 12.34944 
1 1 1    9   26   10 o   26.989   2.1182   86.684   13.391  110.000   18.864   63.000   19.012   30.365   2.6576   22.756   3.6623 7.608751 4.524949 
1 1 1    9   26   11 o   46.985   2.8648  262.541   31.632  261.600   44.524  263.500   44.949   46.728   4.0758   46.895   4.1004 -0.1666832 5.781470 
1 1 1    9   26   12 o   57.896   3.4946  399.468   47.552  444.900   67.053  353.500   67.447   60.893   4.6996   54.100   5.3497 6.792656 7.120812 
1 1 1    9   26   13 o   17.501   1.7799   36.595   7.2535   36.300   10.176   36.900   10.342   17.320   2.5657   17.462   2.5864 -0.1421642 3.643142 
1 1 1    9   26   14 o   21.681   1.7776   55.971   9.0208   47.400   12.495   65.300   13.037   19.809   2.7450   23.359   2.3975 -3.549646 3.644614 
1 1 1    9   26   15 o   65.152   3.7265  506.993   57.094  537.300   80.752  476.700   80.733   66.733   5.1647   62.742   5.5049 3.991405 7.548375 
1 1 1    9   26   16 o   39.436   2.4594  185.045   22.789  209.400   32.298  160.900   32.159   41.840   3.2958   36.557   3.7799 5.282253 5.014944 
1 1 1    9   26   17 o   70.701   3.9839  598.652   66.240  664.100   93.712  533.300   93.644   74.053   5.3963   66.094   6.0678 7.958710 8.120223 
1 1 1    9   26   18 o   37.671   2.4190  168.997   21.404  182.600   30.329  155.500   30.211   39.021   3.3232   35.934   3.6091 3.086933 4.906060 
1 1 1    9   26   19 o   58.424   3.4374  408.390   47.213  378.500   66.815  438.200   66.725   55.783   5.1298   60.179   4.7337 -4.395687 6.980151 
1 1 1    9   26   20 o   14.548   1.6568   25.374   5.5903   33.300   7.9445   17.600   7.8679   16.636   2.0669   11.929   2.8348 4.706396 3.508346 
1 1 1    9   26   21 o   81.397   4.4087  799.029   84.422  896.300  119.620  702.500  119.163   85.496   5.9624   75.230   6.7808 10.26605 9.029380 
1 1 1    9   26   22 o   87.212   4.8058  921.833   98.588  1013.10  139.552  830.900  139.296   90.440   6.5796   81.407   7.3247 9.032761 9.845941 
1 1 1    9   26   23 o   56.150   3.3078  377.998   43.665  352.700   61.749  403.300   61.754   53.737   4.9209   57.615   4.5768 -3.878189 6.720301 
1 1 1    9   26   24 o   41.957   2.5757  210.234   25.395  234.300   36.002  186.400   35.828   44.102   3.4855   39.196   3.9237 4.906204 5.248214 
1 1 1    9   26   25 o   57.135   3.3647  392.400   45.195  402.100   63.915  382.700   63.915   57.336   4.7639   55.874   4.8937 1.462307 6.829588 
1 1 1    9   26   26 f   80.853   4.5944  797.290   87.356  811.500  123.584  783.100  123.496   80.254   6.5792   78.733   6.7065 1.520699 9.394787 
1 1 1    9   26   27 o   17.599   1.7844   37.133   7.3133   34.800   10.419   39.400   10.268   16.862   2.7082   18.013   2.4798 -1.150265 3.672040 
1 1 1    9   26   28 o   16.937   1.6942   34.389   6.6853   44.300   9.5084   24.700   9.4014   19.172   2.1366   14.099   2.9199 5.072768 3.618115 
1 1 1    9   26   29 o   42.624   2.6675  218.629   26.714  207.300   37.744  230.000   37.814   41.045   3.9427   43.341   3.7312 -2.295212 5.428317 
1 1 1    9   26   30 o   14.594   1.6804   25.649   5.6851   32.500   8.1322   19.100   7.9507   16.361   2.1576   12.363   2.7897 3.997602 3.526723 
1 1 1    9   26   31 o   12.807   1.6809   19.839   4.9604   18.100   6.9937   21.600   7.0365   12.058   2.5366   13.240   2.3360 -1.182271 3.448325 
1 1 1    9   26   32 o   43.798   2.7635  232.504   28.434  243.100   40.204  221.900   40.221   44.240   3.8879   42.141   4.0935 2.098820 5.645588 
1 1 1    9   26   33 o   8.9897   1.7366   9.9536   3.5530   10.400   5.0047   9.5000   5.0450   9.1331   2.3170   8.7481   2.3793 0.3850355 3.321021 
1 1 1    9   26   34 o   39.959   2.5884  193.501   24.293  194.000   34.314  193.000   34.396   39.477   3.7250   39.363   3.7456 0.1139069 5.282530 
1 1 1    9   26   35 o   49.000   3.0409  293.720   35.012  323.800   49.497  263.600   49.531   50.697   4.1716   45.337   4.6945 5.359951 6.280191 
1 1 1    9   26   36 o   23.287   1.9334   65.351   10.536   65.700   14.885   65.000   14.915   23.104   2.7843   22.971   2.8081 0.1331539 3.954448 
1 1 1    9   26   37 o   12.988   1.6620   20.469   4.9804   14.600   6.6056   28.200   7.5815   10.755   2.6243   15.156   2.1813 -4.401035 3.412422 
1 1 1    9   26   38 o   30.699   2.0198  113.929   14.560  149.600   20.670   78.800   20.512   34.980   2.5193   24.859   3.5991 10.12082 4.393210 
1 1 1    9   26   39 o   16.933   1.7620   34.776   6.9423   36.600   9.7483   32.900   9.8889   17.165   2.4768   16.190   2.6804 0.9743996 3.649532 
1 1 1    9   26   40 o   10.924   1.6944   14.659   4.2290   11.100   5.9886   18.200   5.9729   9.3560   2.6112   12.069   2.1759 -2.712734 3.398966 
1 1 1    9   26   41 o   23.118   1.9944   65.265   10.781   70.200   15.076   60.100   15.424   23.642   2.7520   21.682   3.1008 1.960135 4.145910 
1 1 1    9   26   42 o   6.6235   1.8387   5.4663   2.9776   4.5000   3.6794   7.3000   5.0686   6.2526   2.1054   7.7356   2.4636 -1.482962 3.240682 
1 1 1    9   26   43 o   42.222   2.5997  222.458   25.793  187.400   36.202  258.600   36.758   37.190   4.1958   44.560   3.5221 -7.369942 5.478114 
1 1 1    9   26   44 f   5.2078   1.9148   2.6972   3.0932   5.0000   4.1132  -0.3000   4.6927   6.5586   2.2260   4.9931   2.1617 1.565538 3.102882 
1 1 1    9   26   45 o   26.415   3.2483   92.900   19.834   92.900   19.834   0.0000   0.0000   26.415   3.2483  ?   ?  0.000000 3.248316 
1 1 1    9   26   46 f   4.8353   2.0110   1.0000   3.7928   1.0000   3.7928   0.0000   0.0000   4.8353   2.0110  ?   ?  0.000000 2.011045 
1 1 1    9   26   47 o   12.883   2.8990   23.200   8.6060   23.200   8.6060   0.0000   0.0000   12.883   2.8990  ?   ?  0.000000 2.899042 
1 1 1    9   26   48 o   19.686   3.0599   55.200   13.762   55.200   13.762   0.0000   0.0000   19.686   3.0599  ?   ?  0.000000 3.059864 
1 1 1    9   26   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   26   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   27    0 o   90.018   7.2873  984.000  152.568  984.000  152.568  984.000  152.568   90.018   7.2873   90.018   7.2873 0.000000 0.000000 
1 1 1    9   27    1 o   89.983   4.8313  966.489  102.281  888.400  144.269  1045.40  145.027   85.687   7.1968   93.159   6.6361 -7.471855 9.789336 
1 1 1    9   27    2 o   43.689   2.6865  226.783   27.582  213.900   38.906  239.800   39.107   42.267   3.9436   44.805   3.7303 -2.537262 5.428354 
1 1 1    9   27    3 o   70.721   4.0564  595.924   67.458  623.400   95.187  568.200   95.615   72.040   5.6406   68.688   5.9539 3.351982 8.201533 
1 1 1    9   27    4 f   15.614   1.6384   29.130   5.9509   20.900   8.2853   37.900   8.5528   13.040   2.7759   17.782   2.0760 -4.742183 3.466309 
1 1 1    9   27    5 o   89.035   4.8860  947.235  102.333  916.600  144.450  978.100  144.992   87.007   7.0925   89.961   6.8775 -2.954254 9.879387 
1 1 1    9   27    6 o  122.680   6.7362  1814.12  194.397  2066.90  274.881  1561.20  274.957  129.949   9.0137  112.134   10.507 17.81535 13.84316 
1 1 1    9   27    7 o  262.159   13.651  8761.05  842.159  7366.30  1187.63 10171.70  1194.38  226.636   22.489  274.165   18.558 -47.52910 29.15718 
1 1 1    9   27    8 o   83.943   4.6595  842.325   91.998  1012.40  130.133  672.400  130.076   91.683   6.0448   74.203   7.5278 17.48043 9.654366 
1 1 1    9   27    9 o  120.333   6.6200  1749.29  187.382  1760.20  264.571  1738.30  265.427  119.317   9.4680  118.513   9.5661 0.8038483 13.45933 
1 1 1    9   27   10 o   86.866   4.8371  903.862   98.826  1019.10  139.753  788.600  139.768   91.743   6.4929   80.319   7.4543 11.42392 9.885584 
1 1 1    9   27   11 o   71.024   4.0352  602.556   67.397  700.300   95.311  504.800   95.317   76.273   5.3253   64.419   6.3486 11.85400 8.286331 
1 1 1    9   27   12 o   90.150   5.1413  976.815  108.994  1118.20  153.969  834.800  154.312   95.837   6.8487   82.252   8.0481 13.58491 10.56770 
1 1 1    9   27   13 o   82.428   4.6526  815.188   90.190  885.200  127.468  745.000  127.628   85.325   6.3725   78.000   7.0039 7.325142 9.469104 
1 1 1    9   27   14 f   69.005   3.8742  569.346   62.873  513.700   88.833  625.200   88.999   65.006   5.8497   71.946   5.2754 -6.940208 7.877085 
1 1 1    9   27   15 o   8.6627   1.7215   9.1914   3.3974   8.2000   4.9130   10.100   4.7031   8.2363   2.3874   9.0544   2.2174 -0.8180761 3.258293 
1 1 1    9   27   16 o  133.523   7.4080  2198.05  232.655  2307.70  329.101  2088.50  328.947  134.044   10.481  126.884   11.090 7.160721 15.25905 
1 1 1    9   27   17 o   25.088   1.9653   74.998   11.549   75.600   16.354   74.400   16.312   25.069   2.8110   24.864   2.8286 0.2053776 3.987872 
1 1 1    9   27   18 o   42.382   2.6180  214.128   26.072  230.000   36.957  198.400   36.787   43.748   3.6097   40.550   3.8896 3.197487 5.306499 
1 1 1    9   27   19 o   54.827   3.2129  359.464   41.415  338.200   58.520  380.800   58.619   52.779   4.7462   56.115   4.4606 -3.335957 6.513385 
1 1 1    9   27   20 o   65.632   3.7734  517.300   58.234  516.700   82.358  517.900   82.353   65.022   5.4131   65.101   5.4061 -0.7855988E-01 7.650302 
1 1 1    9   27   21 o   64.907   3.7107  506.090   56.637  553.400   80.147  458.900   80.045   67.392   5.0736   61.122   5.6085 6.270287 7.562869 
1 1 1    9   27   22 o   76.616   4.3367  709.580   78.136  685.300  110.455  733.900  110.548   74.308   6.3561   77.044   6.1270 -2.736191 8.828357 
1 1 1    9   27   23 o   49.196   2.9728  289.789   34.373  294.700   48.663  284.900   48.558   49.268   4.2237   48.414   4.2919 0.8534393 6.021629 
1 1 1    9   27   24 f   49.787   2.9902  297.121   34.992  316.400   49.524  277.900   49.448   51.038   4.1450   47.713   4.4398 3.325687 6.073959 
1 1 1    9   27   25 o   29.826   2.0945  106.203   14.658  120.200   20.840   92.500   20.620   31.605   2.8221   27.605   3.2240 3.999512 4.284661 
1 1 1    9   27   26 o   25.479   1.9789   77.601   11.812   77.800   16.649   77.400   16.761   25.350   2.8296   25.278   2.8583 0.7253647E-01 4.021976 
1 1 1    9   27   27 o   59.346   3.4822  426.774   48.586  407.000   68.665  446.600   68.756   57.095   5.1484   59.978   4.8974 -2.883038 7.105707 
1 1 1    9   27   28 o   54.583   3.2553  361.028   41.767  336.900   59.041  385.200   59.094   51.904   4.8743   55.732   4.5295 -3.828506 6.653922 
1 1 1    9   27   29 o   15.929   1.7554   30.540   6.4931   28.500   9.2767   32.500   9.0913   15.189   2.6846   16.302   2.4365 -1.112540 3.625429 
1 1 1    9   27   30 o   23.211   1.9065   64.650   10.357   72.400   14.648   56.900   14.648   24.417   2.5795   21.514   2.9617 2.903137 3.927546 
1 1 1    9   27   31 o   32.430   2.2526  126.602   17.143  129.300   24.235  123.900   24.253   32.463   3.2032   31.742   3.2832 0.7213860 4.586914 
1 1 1    9   27   32 o   33.028   2.2860  131.500   17.719  132.700   25.058  130.300   25.058   32.830   3.2761   32.515   3.3098 0.3145638 4.656972 
1 1 1    9   27   33 o   31.182   2.1686  117.106   15.869  107.900   22.388  126.400   22.495   29.558   3.2620   32.121   3.0006 -2.562431 4.432166 
1 1 1    9   27   34 o   18.430   1.7719   40.897   7.6161   40.200   10.746   41.600   10.796   18.073   2.5921   18.402   2.5533 -0.3284416 3.638470 
1 1 1    9   27   35 o   10.432   1.7151   13.317   4.0781   16.100   5.7498   10.500   5.7849   11.389   2.2178   9.1863   2.5673 2.202470 3.392620 
1 1 1    9   27   36 o   9.5212   1.8496   11.213   4.0085   18.200   5.5511   3.6000   5.7944   12.164   2.0024   6.6769   2.5830 5.486670 3.268270 
1 1 1    9   27   37 o   23.074   1.9094   64.338   10.310   74.700   14.589   54.000   14.572   24.667   2.5410   20.744   3.0673 3.923161 3.983153 
1 1 1    9   27   38 o   40.066   2.6274  197.157   24.720  207.200   34.948  187.100   34.972   40.321   3.7122   38.127   3.9413 2.194588 5.414236 
1 1 1    9   27   39 o   32.754   2.2172  130.935   17.048  146.300   24.201  115.800   24.019   34.161   3.0316   30.116   3.4392 4.045206 4.584620 
1 1 1    9   27   40 o   29.206   2.2045  104.492   15.092  106.000   21.057  102.900   21.641   28.898   3.1362   28.370   3.2916 0.5277786 4.546440 
1 1 1    9   27   41 o   8.2693   1.6880   8.5220   3.1846   4.2000   3.7454   19.800   6.0503   6.1373   2.1229   12.599   2.1081 -6.461638 2.991782 
1 1 1    9   27   42 o   9.6360   2.0385   11.706   4.4935   11.000   5.7651   12.800   7.1724   9.2738   2.5522   9.9700   2.8831 -0.6962452 3.850475 
1 1 1    9   27   43 o   28.359   2.1954   99.306   14.587  113.400   20.662   85.300   20.597   29.789   2.9773   25.422   3.5261 4.367218 4.614938 
1 1 1    9   27   44 o   9.5820   2.6834   12.000   6.3130   12.000   6.3130   0.0000   0.0000   9.5820   2.6834  ?   ?  0.000000 2.683407 
1 1 1    9   27   45 o   14.634   2.7697   28.500   9.2208   28.500   9.2208   0.0000   0.0000   14.634   2.7697  ?   ?  0.000000 2.769696 
1 1 1    9   27   46 o   11.935   2.6153   19.300   7.1669   19.300   7.1669   0.0000   0.0000   11.935   2.6153  ?   ?  0.000000 2.615274 
1 1 1    9   27   47 o   20.059   3.0978   56.900   14.200   56.900   14.200   0.0000   0.0000   20.059   3.0978  ?   ?  0.000000 3.097827 
1 1 1    9   27   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   27   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   28    0 o   46.971   4.2174  267.700   45.911  267.700   45.911  267.700   45.911   46.971   4.2174   46.971   4.2174 -0.000000 0.000000 
1 1 1    9   28    1 o   41.310   2.6354  202.906   25.574  197.800   36.189  208.000   36.145   40.627   3.8170   41.687   3.7107 -1.059662 5.323393 
1 1 1    9   28    2 o   83.907   4.6649  841.630   92.063  915.100  130.214  768.200  130.179   87.049   6.3792   79.530   7.0033 7.518959 9.473141 
1 1 1    9   28    3 f   46.041   2.8728  252.157   31.077  298.000   43.898  206.100   44.001   49.945   3.7495   41.342   4.5844 8.603771 5.922461 
1 1 1    9   28    4 o   64.192   3.5168  490.696   53.106  425.400   74.761  557.200   75.450   59.399   5.3887   68.195   4.7143 -8.795887 7.159797 
1 1 1    9   28    5 o  157.916   8.6829  3056.57  322.540  3022.00  455.649  3091.30  456.635  153.912   12.649  155.793   12.518 -1.881363 17.79614 
1 1 1    9   28    6 o   23.133   1.9173   63.730   10.379   62.400   14.573   65.100   14.785   22.782   2.7657   23.280   2.7422 -0.4982662 3.894702 
1 1 1    9   28    7 o   28.516   2.0503   96.704   13.713   87.300   19.296  106.300   19.493   26.954   3.0874   29.816   2.8014 -2.862806 4.168949 
1 1 1    9   28    8 o   48.215   2.9531  276.757   33.460  297.200   47.254  256.200   47.385   49.795   4.0539   46.144   4.4022 3.651581 5.984403 
1 1 1    9   28    9 f  102.653   8.2233  1298.20  197.660  1298.20  197.660   0.0000   0.0000  102.653   8.2233  ?   ?  0.000000 8.223273 
1 1 1    9   28   10 o   76.940   4.2242  708.328   76.452  663.800  107.615  753.700  108.632   73.899   6.2250   78.895   5.8731 -4.996674 8.558250 
1 1 1    9   28   11 o  152.756   8.6279  2889.46  309.947  3267.50  438.096  2510.60  438.566  159.411   11.720  137.648   13.674 21.76363 18.00953 
1 1 1    9   28   12 o   22.637   1.9427   61.097   10.284   76.600   14.499   45.400   14.589   25.303   2.4575   19.271   3.3262 6.032322 4.135596 
1 1 1    9   28   13 o   41.014   2.5329  200.255   24.411  181.400   34.259  219.700   34.792   38.824   3.7851   42.820   3.4708 -3.995544 5.135464 
1 1 1    9   28   14 o   80.035   4.4140  769.610   83.098  881.300  117.591  658.200  117.444   85.105   5.8876   73.081   6.8867 12.02353 9.060392 
1 1 1    9   28   15 o   89.289   4.7862  961.305  100.548  1137.00  142.356  786.400  142.036   96.420   6.2868   79.432   7.6678 16.98788 9.915594 
1 1 1    9   28   16 o   20.798   1.8305   51.607   8.8980   50.400   12.620   52.800   12.548   20.427   2.6810   20.931   2.5944 -0.5032082 3.730768 
1 1 1    9   28   17 o   53.068   3.1499  336.594   39.295  330.600   55.543  342.600   55.600   52.249   4.5472   53.219   4.4656 -0.9696236 6.373247 
1 1 1    9   28   18 o   32.426   2.2656  125.344   17.238  116.900   24.443  133.700   24.315   31.121   3.3805   33.355   3.1234 -2.234467 4.602542 
1 1 1    9   28   19 o   96.047   5.3760  1123.75  121.438  1114.40  171.706  1133.10  171.772   94.075   7.7998   94.916   7.7311 -0.8415527 10.98213 
1 1 1    9   28   20 o  104.114   5.8386  1330.00  142.963  1317.30  202.149  1342.70  202.212  101.505   8.5124  102.565   8.4236 -1.059723 11.97570 
1 1 1    9   28   21 o   59.134   3.4476  419.736   47.933  426.800   67.857  412.700   67.717   59.144   4.9029   58.122   4.9821 1.021881 6.989997 
1 1 1    9   28   22 o   26.468   2.0088   83.594   12.462   86.800   17.639   80.400   17.608   26.839   2.8256   25.796   2.9433 1.042257 4.080143 
1 1 1    9   28   23 o   12.488   1.6422   18.794   4.7251   22.800   6.7748   15.000   6.5935   13.689   2.1681   11.005   2.5818 2.684175 3.371440 
1 1 1    9   28   24 o   47.011   2.7389  264.705   30.273  310.300   42.952  219.700   42.673   50.656   3.6145   42.351   4.3279 8.304913 5.638762 
1 1 1    9   28   25 o   80.029   4.5953  785.423   86.478  799.400  122.199  771.400  122.397   79.215   6.5926   77.682   6.7393 1.533783 9.427691 
1 1 1    9   28   26 o   37.780   2.4593  171.180   21.821  158.800   30.834  183.600   30.884   36.036   3.6749   38.865   3.3994 -2.829048 5.006065 
1 1 1    9   28   27 o   36.606   2.4044  160.876   20.668  152.600   29.187  169.200   29.271   35.304   3.5491   37.257   3.3634 -1.952335 4.889662 
1 1 1    9   28   28 o   29.806   2.1597  106.620   15.098  102.900   21.409  110.300   21.294   29.006   3.1777   30.085   3.0390 -1.078695 4.397011 
1 1 1    9   28   29 o   27.027   1.9845   87.600   12.576   97.700   17.875   77.700   17.698   28.371   2.7008   25.177   3.0382 3.193642 4.065091 
1 1 1    9   28   30 o   14.350   1.7351   24.872   5.7599   31.400   8.1013   18.200   8.1908   16.054   2.1946   12.034   2.9136 4.019749 3.647603 
1 1 1    9   28   31 o   13.080   1.6718   20.697   5.0455   19.100   7.0227   22.400   7.2538   12.390   2.4868   13.469   2.3670 -1.079642 3.433199 
1 1 1    9   28   32 o   28.906   2.1184  100.598   14.359   99.900   20.273  101.300   20.341   28.512   3.0589   28.717   3.0461 -0.2055454 4.316924 
1 1 1    9   28   33 o   15.370   1.6928   28.495   6.0423   31.700   8.6214   25.400   8.4708   16.079   2.3393   14.295   2.6054 1.783856 3.501475 
1 1 1    9   28   34 o   3.9630   1.5147   1.2773   1.9759   2.9000   2.9162  -0.1000   2.6866   5.2803   1.8698   3.8670   1.6544 1.413271 2.496608 
1 1 1    9   28   35 o   21.360   1.8706   55.025   9.3399   59.900   13.175   50.100   13.242   22.095   2.5733   20.087   2.8737 2.008438 3.857522 
1 1 1    9   28   36 o   29.159   2.1630  103.036   14.787  107.600   20.832   98.400   20.993   29.443   3.0400   28.058   3.2273 1.384863 4.433679 
1 1 1    9   28   37 o   46.877   2.9444  271.862   32.427  280.500   45.959  263.300   45.759   46.521   4.2299   44.933   4.3679 1.587902 6.080390 
1 1 1    9   28   38 o   33.887   2.3395  140.433   18.606  135.900   26.263  145.000   26.362   32.682   3.4555   33.845   3.3422 -1.162254 4.807371 
1 1 1    9   28   39 o   14.865   1.7035   26.900   5.8718   29.000   8.3040   24.800   8.3040   15.234   2.3867   13.991   2.6094 1.243029 3.536301 
1 1 1    9   28   40 o   20.476   1.6816   50.784   8.0590   38.000   10.822   66.700   12.075   17.320   2.7369   23.280   2.2236 -5.959339 3.526348 
1 1 1    9   28   41 o   14.525   1.7892   25.843   6.0070   26.900   8.3328   24.700   8.6674   14.584   2.5102   13.878   2.7421 0.7061367 3.717547 
1 1 1    9   28   42 o   17.652   1.8094   38.117   7.4352   49.300   10.654   27.500   10.381   19.895   2.3109   14.463   3.1304 5.431166 3.890955 
1 1 1    9   28   43 o   6.0473   1.9672   4.3647   3.2197   8.0000   4.4852   0.5000   4.6246   7.9321   2.2759   5.1645   2.1887 2.767522 3.157554 
1 1 1    9   28   44 o   25.493   3.1974   87.000   18.825   87.000   18.825   0.0000   0.0000   25.493   3.1974  ?   ?  0.000000 3.197409 
1 1 1    9   28   45 o   9.1776   2.5902   11.300   5.8583   11.300   5.8583   0.0000   0.0000   9.1776   2.5902  ?   ?  0.000000 2.590176 
1 1 1    9   28   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   28   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   28   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   28   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   29    0 o   16.502   2.8800   35.000   10.199   35.000   10.199   35.000   10.199   16.502   2.8800   16.502   2.8800 -0.000000 0.000000 
1 1 1    9   29    1 o   59.932   3.1896  427.538   44.978  303.500   63.229  554.600   63.995   50.032   5.4394   68.138   3.9948 -18.10521 6.748790 
1 1 1    9   29    2 o   44.146   2.6811  231.816   27.817  187.900   39.191  276.400   39.488   39.478   4.2722   48.103   3.5004 -8.624668 5.523100 
1 1 1    9   29    3 o  109.640   6.0773  1451.67  156.725  1414.10  221.849  1489.10  221.436  106.877   8.8707  109.837   8.6065 -2.960754 12.35962 
1 1 1    9   29    4 o  105.352   5.7450  1337.97  142.379  1290.90  200.861  1385.50  201.852  102.298   8.3889  106.144   8.1148 -3.846176 11.67153 
1 1 1    9   29    5 o  152.445   8.3950  2860.84  301.037  3500.40  425.784  2221.60  425.679  166.396   10.897  129.522   14.148 36.87372 17.85782 
1 1 1    9   29    6 o  134.910   7.4937  2225.47  237.789  2255.00  335.631  2195.70  336.942  133.433   10.743  131.485   10.952 1.947662 15.34132 
1 1 1    9   29    7 o   65.428   3.7543  511.339   57.761  509.500   81.451  513.200   81.923   64.923   5.3609   65.156   5.3725 -0.2336121 7.589676 
1 1 1    9   29    8 o   51.020   3.0974  310.284   37.140  338.200   52.445  282.200   52.603   53.066   4.2202   48.349   4.6655 4.717419 6.290958 
1 1 1    9   29    9 o   29.522   2.1321  103.738   14.763  102.700   20.760  104.800   20.999   29.249   3.0507   29.549   3.0535 -0.3000565 4.316329 
1 1 1    9   29   10 o   63.025   3.6760  474.882   54.470  546.900   76.988  402.700   77.075   67.346   4.8741   57.486   5.7553 9.860348 7.541920 
1 1 1    9   29   11 o   97.090   5.2108  1137.90  119.029  1051.00  167.517  1226.50  169.158   92.069   7.7780   99.821   7.2253 -7.752640 10.61613 
1 1 1    9   29   12 o   48.292   2.9508  278.221   33.489  280.600   47.153  275.800   47.570   48.252   4.1797   47.816   4.2576 0.4356499 5.966317 
1 1 1    9   29   13 o   43.036   2.6947  220.807   27.247  231.600   38.520  210.000   38.545   43.886   3.7532   41.730   3.9590 2.155510 5.455270 
1 1 1    9   29   14 o   64.460   3.7015  497.792   56.105  515.100   79.363  480.500   79.326   65.121   5.2045   62.815   5.4005 2.305950 7.500108 
1 1 1    9   29   15 o   63.133   3.6018  477.469   53.473  529.700   75.682  425.400   75.563   66.121   4.8817   59.014   5.4852 7.106884 7.342921 
1 1 1    9   29   16 f  130.214   7.0506  2099.68  215.985  2387.50  305.834  1813.30  305.064  136.270   9.5650  116.963   11.182 19.30746 14.71454 
1 1 1    9   29   17 o   86.702   4.7458  909.571   96.794  1017.70  137.032  801.900  136.742   90.827   6.4308   80.069   7.3130 10.75795 9.738329 
1 1 1    9   29   18 o   29.859   2.1358  106.294   14.959  122.800   21.160   89.800   21.152   31.996   2.8297   27.221   3.3621 4.774927 4.394469 
1 1 1    9   29   19 o   70.103   4.0080  592.151   66.072  602.500   93.433  581.800   93.446   70.005   5.7016   68.732   5.8120 1.273033 8.141722 
1 1 1    9   29   20 o   32.244   2.2363  124.049   16.922  122.500   23.923  125.600   23.938   31.862   3.2241   32.275   3.1824 -0.4135151 4.530182 
1 1 1    9   29   21 o   89.724   5.0717  984.155  107.014  1040.90  151.334  927.400  151.347   90.811   7.1141   85.313   7.5921 5.498650 10.40437 
1 1 1    9   29   22 o   50.616   2.9475  307.056   35.077  268.400   49.483  346.100   49.731   46.829   4.5315   53.434   3.9697 -6.605392 6.024370 
1 1 1    9   29   23 o   70.236   4.0431  599.000   66.773  554.400   94.432  643.600   94.432   66.413   6.0892   71.916   5.6049 -5.503021 8.276130 
1 1 1    9   29   24 o   58.060   3.3970  407.295   46.371  433.400   65.647  381.300   65.510   59.277   4.7293   55.406   5.0630 3.871124 6.928216 
1 1 1    9   29   25 o   51.165   3.0880  315.939   37.134  333.200   52.533  298.700   52.499   52.023   4.3153   49.112   4.5798 2.911278 6.292565 
1 1 1    9   29   26 o   49.862   3.0111  300.516   35.288  275.700   49.870  325.400   49.938   47.060   4.5442   51.369   4.1524 -4.308243 6.155698 
1 1 1    9   29   27 o   34.257   2.3128  140.967   18.599  144.600   26.422  137.400   26.185   34.401   3.2929   33.505   3.3547 0.8958321 4.700733 
1 1 1    9   29   28 o   32.008   2.2369  123.151   16.801  123.000   23.838  123.300   23.682   31.688   3.2310   31.736   3.2039 -0.4846764E-01 4.550205 
1 1 1    9   29   29 o   38.694   2.5209  180.744   22.908  184.400   32.424  177.100   32.369   38.657   3.5932   37.844   3.6682 0.8131104 5.134879 
1 1 1    9   29   30 o   58.411   3.4329  418.630   47.141  388.000   66.591  449.400   66.743   54.915   5.1971   59.486   4.7921 -4.571522 7.069230 
1 1 1    9   29   31 o   34.025   2.3214  139.645   18.540  134.500   26.206  144.800   26.232   32.988   3.4136   34.296   3.2791 -1.308819 4.733381 
1 1 1    9   29   32 o   41.240   2.6534  206.309   25.702  211.700   36.317  200.900   36.380   41.228   3.7721   40.089   3.8922 1.139709 5.420148 
1 1 1    9   29   33 o   12.968   1.6471   20.357   4.9301   17.600   6.8615   23.300   7.0885   11.861   2.5272   13.754   2.2612 -1.892790 3.391118 
1 1 1    9   29   34 o   18.183   1.8118   39.916   7.6759   47.800   10.811   31.900   10.901   19.774   2.3620   15.918   3.0102 3.856057 3.826269 
1 1 1    9   29   35 o   4.7700   1.6105   2.5335   2.1531   4.7000   3.0944   0.5000   2.9979   6.2512   1.9154   4.2902   1.7864 1.960966 2.619183 
1 1 1    9   29   36 o   34.983   2.3710  149.173   19.471  145.400   27.440  153.000   27.632   33.940   3.4728   34.868   3.3993 -0.9288254 4.859563 
1 1 1    9   29   37 o   43.386   2.8157  232.785   28.691  245.500   40.520  220.000   40.631   43.603   3.9793   41.012   4.2576 2.590481 5.827644 
1 1 1    9   29   38 o   11.859   1.7530   17.265   4.7613   22.200   6.6583   12.100   6.8114   13.357   2.1867   9.7598   2.8059 3.597123 3.557373 
1 1 1    9   29   39 o   23.285   1.9403   66.055   10.572   66.500   14.872   65.600   15.031   22.994   2.7966   22.808   2.8532 0.1858578 3.995184 
1 1 1    9   29   40 o   25.750   2.1084   81.218   12.708   87.000   18.102   75.600   17.844   26.204   2.9785   24.290   3.1880 1.914249 4.362884 
1 1 1    9   29   41 o   11.686   2.0403   17.082   5.4251   26.500   7.5094   6.8000   7.8463   14.544   2.2599   8.1254   3.0377 6.418413 3.786187 
1 1 1    9   29   42 o   19.480   1.9491   46.748   8.8453   48.300   12.518   45.200   12.500   19.386   2.8170   18.683   2.9297 0.7026958 4.064340 
1 1 1    9   29   43 o   15.190   1.8831   28.693   6.6096   27.900   9.3071   29.500   9.3882   14.550   2.8106   15.002   2.7515 -0.4519644 3.933225 
1 1 1    9   29   44 o   5.7788   2.2260   3.1000   4.2890   3.1000   4.2890   0.0000   0.0000   5.7788   2.2260  ?   ?  0.000000 2.226027 
1 1 1    9   29   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   29   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   29   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   29   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   30    0 o   63.929   5.3826  496.900   79.929  496.900   79.929  496.900   79.929   63.929   5.3826   63.929   5.3826 -0.000000 0.000000 
1 1 1    9   30    1 o   87.009   4.8822  909.773   99.904  939.500  141.230  880.000  141.341   87.681   6.8763   84.735   7.1301 2.945793 9.905661 
1 1 1    9   30    2 o   60.262   3.3845  433.165   47.967  361.700   67.631  505.500   68.042   54.625   5.3103   64.880   4.4684 -10.25535 6.940144 
1 1 1    9   30    3 o  139.968   7.5805  2403.49  249.613  2606.90  353.980  2202.30  352.039  143.333   10.532  130.811   11.514 12.52234 15.60470 
1 1 1    9   30    4 o   30.875   2.2537  113.516   16.318  130.800   22.967   95.900   23.187   33.058   2.9740   28.166   3.5662 4.892614 4.643559 
1 1 1    9   30    5 o   23.648   1.9439   66.634   10.759   66.100   15.001   67.200   15.439   23.442   2.7631   23.629   2.8228 -0.1873226 3.950092 
1 1 1    9   30    6 o  135.569   7.5096  2259.51  239.463  2239.70  337.879  2279.50  339.432  132.107   10.929  133.333   10.876 -1.226181 15.41834 
1 1 1    9   30    7 o   87.393   4.2572  913.304   87.854  715.300  123.508  1116.10  124.994   76.269   6.9335   96.044   5.5348 -19.77425 8.871709 
1 1 1    9   30    8 o   34.405   3.3395  142.200   26.789  142.200   26.789   0.0000   0.0000   34.405   3.3395  ?   ?  0.000000 3.339482 
1 1 1    9   30    9 f  111.977   6.1187  1527.18  161.177  1785.70  228.078  1269.30  227.799  119.752   8.1135   99.692   9.8035 20.06025 12.72548 
1 1 1    9   30   10 o   4.3027   1.6059   1.6397   2.1911   1.2000   2.9271   2.2000   3.3043   4.5412   1.8118   5.1648   1.9624 -0.6236196 2.670886 
1 1 1    9   30   11 o   41.293   2.6791  203.337   25.982  223.300   36.620  183.100   36.871   43.109   3.6312   38.914   4.0728 4.195370 5.456507 
1 1 1    9   30   12 f  125.792   7.2110  1956.35  213.301  2173.20  301.273  1738.40  302.036  130.093   9.8810  114.913   11.276 15.17953 14.99277 
1 1 1    9   30   13 o   9.4415   1.7020   10.874   3.6549   16.200   5.3458   6.2000   5.0084   11.523   2.0393   7.4179   2.4555 4.105181 3.191901 
1 1 1    9   30   14 o  128.307   7.1856  2042.18  216.832  2117.60  306.691  1966.80  306.603  127.533   10.271  122.389   10.717 5.144501 14.84408 
1 1 1    9   30   15 f   86.736   4.8775  911.299   99.493  892.100  140.699  930.500  140.709   84.631   7.1062   86.544   6.9438 -1.913315 9.935513 
1 1 1    9   30   16 o   68.487   3.3716  560.201   54.526  725.100   77.455  398.200   76.771   77.549   4.2458   56.845   5.8006 20.70408 7.188509 
1 1 1    9   30   17 o   42.686   2.6699  217.590   26.777  223.300   37.900  211.900   37.837   43.008   3.7699   41.863   3.8714 1.145805 5.403724 
1 1 1    9   30   18 o   48.781   2.9646  284.757   33.987  288.900   48.027  280.600   48.103   48.811   4.2080   48.077   4.2819 0.7337837 6.003521 
1 1 1    9   30   19 o   53.454   3.1857  342.698   40.029  344.400   56.637  341.000   56.581   53.159   4.5559   52.888   4.5756 0.2717628 6.457003 
1 1 1    9   30   20 o  116.827   6.6092  1707.49  181.581  1823.40  256.864  1591.70  256.724  117.544   9.3310  108.815   10.107 8.728409 13.75534 
1 1 1    9   30   21 o   34.771   2.2379  144.357   18.277  168.300   25.953  120.800   25.743   37.407   2.9624   31.522   3.5185 5.884918 4.599533 
1 1 1    9   30   22 o   44.326   2.7572  235.695   28.716  242.200   40.628  229.200   40.593   44.591   3.8976   43.329   4.0130 1.261570 5.594274 
1 1 1    9   30   23 o   45.964   2.7519  253.728   29.731  283.600   42.204  224.300   41.889   48.271   3.7315   42.719   4.2072 5.551579 5.623573 
1 1 1    9   30   24 o   23.755   1.9319   67.560   10.743   64.000   15.214   71.100   15.171   22.921   2.8740   24.219   2.6987 -1.297297 3.942490 
1 1 1    9   30   25 o   25.894   1.9800   80.327   12.015   99.500   17.024   61.300   16.959   28.713   2.5370   22.282   3.3251 6.431358 4.182392 
1 1 1    9   30   26 o   18.776   1.7868   42.320   7.8266   46.400   11.110   38.300   11.027   19.531   2.4638   17.653   2.7337 1.877821 3.680104 
1 1 1    9   30   27 o   27.330   2.0624   89.682   13.211   82.300   18.661   97.100   18.707   25.896   3.1141   28.239   2.8441 -2.343512 4.217424 
1 1 1    9   30   28 o   80.516   4.7325  817.101   89.582  820.500  126.672  813.700  126.705   77.915   6.9582   77.537   6.9955 0.3772202 9.866788 
1 1 1    9   30   29 o   33.644   2.2786  136.336   17.995  144.700   25.548  128.100   25.352   34.350   3.1859   32.227   3.3818 2.123180 4.646166 
1 1 1    9   30   30 o   56.652   3.4124  394.153   45.437  358.400   64.260  429.900   64.255   52.665   5.2367   58.176   4.7180 -5.510502 7.048589 
1 1 1    9   30   31 o   39.505   2.4945  188.743   23.150  169.800   32.648  207.900   32.832   36.886   3.8028   41.053   3.4179 -4.167164 5.113096 
1 1 1    9   30   32 o   21.335   1.8468   54.774   9.2125   51.600   12.976   58.000   13.081   20.468   2.7547   21.767   2.5963 -1.298937 3.785386 
1 1 1    9   30   33 o   38.980   2.4960  184.429   22.854  170.700   32.239  198.300   32.404   36.868   3.7555   39.929   3.4713 -3.060932 5.114052 
1 1 1    9   30   34 f   31.292   2.2239  118.657   16.326  121.500   23.062  115.800   23.115   31.264   3.1675   30.470   3.2634 0.7947712 4.547795 
1 1 1    9   30   35 o   10.687   1.7267   14.015   4.2090   14.700   5.8910   13.300   6.0158   10.810   2.3729   10.259   2.5051 0.5511951 3.450534 
1 1 1    9   30   36 o   27.130   2.0971   89.448   13.331   94.800   18.769   84.000   18.937   27.575   2.9272   25.823   3.1723 1.752253 4.316473 
1 1 1    9   30   37 o   8.1076   1.7823   8.2088   3.3192   9.1000   4.6714   7.3000   4.7170   8.4988   2.2803   7.7119   2.3652 0.7868977 3.285412 
1 1 1    9   30   38 o   32.492   2.2952  129.542   17.497  132.300   24.778  126.800   24.711   32.204   3.3052   31.471   3.3780 0.7331295 4.726025 
1 1 1    9   30   39 o   21.646   1.9838   57.247   10.027   65.600   14.141   48.800   14.221   22.889   2.6663   19.453   3.2076 3.436081 4.171121 
1 1 1    9   30   40 o   11.921   2.6635   18.300   7.3086   0.0000   0.0000   18.300   7.3086  ?   ?    11.921   2.6635 0.000000 2.663525 
1 1 1    9   30   41 o   8.2286   2.0959   8.6065   4.0838   11.700   5.5314   4.9000   6.0547   9.5344   2.4451   7.0640   2.6630 2.470399 3.615291 
1 1 1    9   30   42 o   13.536   1.8620   22.788   5.7941   21.600   8.3323   23.900   8.0626   12.783   2.8347   13.562   2.6124 -0.7788429 3.854890 
1 1 1    9   30   43 o   12.366   1.9010   19.302   5.3735   20.500   7.2039   17.800   8.0678   12.466   2.5337   11.409   2.9668 1.056319 3.901480 
1 1 1    9   30   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   30   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   30   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   30   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   31    0 o   8.9783   3.0242   12.300   5.7306   12.300   5.7306   12.300   5.7306   8.9783   3.0242   8.9783   3.0242 0.000000 0.000000 
1 1 1    9   31    1 o   37.568   2.3996  168.020   21.176  197.000   30.176  139.900   29.725   40.575   3.1749   34.043   3.7604 6.531128 4.921416 
1 1 1    9   31    2 o  128.514   7.1832  2030.81  217.114  2079.20  307.022  1982.40  307.069  127.432   10.291  124.147   10.575 3.284515 14.75605 
1 1 1    9   31    3 o   55.927   3.2932  373.578   43.299  387.600   61.393  359.700   61.075   56.660   4.6291   54.526   4.7922 2.134262 6.662822 
1 1 1    9   31    4 o   80.445   4.5514  778.537   86.103  697.700  121.796  859.300  121.740   75.215   6.9356   83.881   6.1900 -8.665558 9.296138 
1 1 1    9   31    5 o   62.334   3.6123  464.914   52.943  490.500   74.925  439.400   74.820   63.646   5.0262   60.126   5.3249 3.520164 7.322361 
1 1 1    9   31    6 o   68.073   3.8195  555.092   61.149  639.200   86.662  471.700   86.293   72.675   5.0819   62.082   5.9596 10.59291 7.832136 
1 1 1    9   31    7 o   56.291   3.3323  378.740   44.097  413.500   62.326  343.900   62.399   58.529   4.5452   53.211   5.0255 5.317669 6.776078 
1 1 1    9   31    8 o   79.873   4.4700  767.918   83.970  749.800  118.484  786.200  119.021   78.108   6.4825   80.057   6.3480 -1.948647 9.073048 
1 1 1    9   31    9 o   35.011   2.1167  145.797   17.417  108.200   24.424  184.700   24.844   29.915   3.5252   39.341   2.6905 -9.425920 4.434610 
1 1 1    9   31   10 o   65.436   3.8198  513.663   58.766  557.100   83.000  470.000   83.216   67.700   5.2325   61.962   5.7531 5.737392 7.776748 
1 1 1    9   31   11 o   85.674   4.8995  888.170   98.709  962.100  139.389  813.800  139.802   88.245   6.7402   80.744   7.4152 7.500450 10.02073 
1 1 1    9   31   12 o   73.828   4.0083  655.068   69.616  773.500   98.591  537.300   98.314   79.749   5.2650   65.933   6.3951 13.81644 8.283548 
1 1 1    9   31   13 o   19.937   1.8097   47.464   8.4272   50.600   11.987   44.400   11.850   20.486   2.5319   19.141   2.6965 1.344957 3.698874 
1 1 1    9   31   14 o   59.691   3.4744  427.232   48.760  446.800   68.990  407.700   68.925   60.611   4.8612   57.795   5.1027 2.815800 7.047605 
1 1 1    9   31   15 o   79.918   4.0875  769.256   76.880  959.600  109.055  581.200  108.397   88.743   5.2272   68.220   6.8203 20.52329 8.593058 
1 1 1    9   31   16 o   30.669   2.2265  112.247   16.015  132.700   22.595   91.600   22.702   33.245   2.9075   27.434   3.5907 5.811333 4.620200 
1 1 1    9   31   17 o   91.310   5.0622  1017.44  108.722  939.900  153.594  1095.30  153.919   85.993   7.6436   93.370   7.0327 -7.376396 10.38675 
1 1 1    9   31   18 o   40.964   2.4999  200.422   24.066  233.000   34.182  168.400   33.889   43.998   3.3144   37.212   3.9153 6.785339 5.129807 
1 1 1    9   31   19 o   41.003   2.6066  201.146   25.106  211.800   35.512  190.500   35.499   41.826   3.6316   39.591   3.8457 2.235195 5.289430 
1 1 1    9   31   20 o   52.962   3.1646  337.447   39.396  354.900   55.720  320.000   55.710   53.853   4.4206   51.013   4.6769 2.840927 6.435432 
1 1 1    9   31   21 o   31.329   2.1930  117.391   16.121  120.500   22.833  114.300   22.765   31.544   3.1056   30.693   3.1875 0.8508167 4.450255 
1 1 1    9   31   22 o   14.191   1.7101   24.249   5.6152   21.900   7.8576   26.700   8.0275   13.314   2.5926   14.778   2.3813 -1.464644 3.520222 
1 1 1    9   31   23 o   13.349   1.7503   21.531   5.3841   17.600   7.6954   25.300   7.5357   11.878   2.7909   14.385   2.2955 -2.507094 3.613644 
1 1 1    9   31   24 o   22.796   1.9052   62.290   10.161   76.200   14.375   48.400   14.365   25.115   2.4554   19.784   3.1828 5.330254 4.019818 
1 1 1    9   31   25 o   47.905   2.9459  277.792   33.162  283.300   46.933  272.300   46.863   47.782   4.2024   46.792   4.2890 0.9900322 6.004637 
1 1 1    9   31   26 o   24.025   1.9430   69.286   10.929   71.300   15.508   67.300   15.403   24.176   2.7664   23.460   2.8383 0.7164116 3.963428 
1 1 1    9   31   27 o   46.684   2.9050  264.553   31.865  263.000   45.114  266.100   45.015   45.867   4.2124   46.161   4.1749 -0.2937660 5.930754 
1 1 1    9   31   28 o   26.403   2.0082   83.765   12.427   76.400   17.533   91.200   17.616   24.925   3.0420   27.350   2.7656 -2.425573 4.111236 
1 1 1    9   31   29 o   37.420   2.4702  169.201   21.704  169.700   30.671  168.700   30.718   37.032   3.5509   36.914   3.5686 0.1183395 5.034308 
1 1 1    9   31   30 o   17.043   1.7665   35.005   7.0060   36.300   9.8888   33.700   9.9272   17.188   2.5104   16.517   2.6337 0.6713333 3.638525 
1 1 1    9   31   31 o   24.261   1.9574   70.849   11.118   70.500   15.696   71.200   15.751   23.955   2.8294   24.077   2.8241 -0.1220493 3.997648 
1 1 1    9   31   32 o   29.705   2.1982  106.668   15.309  114.500   21.558   98.700   21.744   30.469   3.0368   28.143   3.3370 2.325371 4.511918 
1 1 1    9   31   33 o   73.399   4.4012  690.904   75.930  655.400  107.312  726.500  107.451   67.942   6.7793   72.261   6.3620 -4.318123 9.297009 
1 1 1    9   31   34 o   16.293   1.7492   32.155   6.6245   34.200   9.3560   30.100   9.3811   16.615   2.4589   15.508   2.6574 1.107632 3.620492 
1 1 1    9   31   35 o   30.003   2.1432  109.376   15.085   86.800   21.275  132.200   21.391   26.070   3.5481   32.687   2.7984 -6.616590 4.518803 
1 1 1    9   31   36 o   7.0751   1.6445   6.2408   2.6952   2.4000   3.6770   10.700   3.9620   5.3694   2.0630   9.2640   1.8755 -3.894688 2.788052 
1 1 1    9   31   37 o   42.086   2.7551  220.150   27.229  218.600   38.508  221.700   38.508   40.785   4.0521   41.109   4.0183 -0.3239899 5.706676 
1 1 1    9   31   38 o   30.861   2.2818  116.943   16.511  109.800   23.506  123.900   23.197   29.176   3.4805   31.214   3.1920 -2.038328 4.722579 
1 1 1    9   31   39 o   37.389   2.4941  173.262   21.893  155.500   30.677  191.700   31.255   34.320   3.8519   38.503   3.4751 -4.182991 5.187821 
1 1 1    9   31   40 o   25.482   2.1006   79.925   12.527   87.500   17.745   72.400   17.687   26.191   2.9187   23.587   3.2630 2.604969 4.377885 
1 1 1    9   31   41 o   9.8418   2.0212   12.296   4.5401   4.3000   6.2385   21.300   6.6199   6.9027   2.6774   12.949   2.2465 -6.046069 3.495047 
1 1 1    9   31   42 o   29.381   3.5133  118.800   23.892   0.0000   0.0000  118.800   23.892  ?   ?    29.381   3.5133 0.000000 3.513321 
1 1 1    9   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   31   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   31   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   31   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   32    0 o   63.023   5.3400  484.300   78.157  484.300   78.157  484.300   78.157   63.023   5.3400   63.023   5.3400 -0.000000 0.000000 
1 1 1    9   32    1 o   22.214   1.9199   58.872   9.9718   76.100   14.198   42.100   14.008   25.214   2.4142   18.525   3.3246 6.688828 4.108675 
1 1 1    9   32    2 o   63.725   3.6410  486.245   54.561  536.600   77.398  436.500   76.927   66.567   4.9594   59.822   5.5076 6.745308 7.411453 
1 1 1    9   32    3 o   79.035   4.4908  752.214   83.466  737.300  118.096  767.100  117.982   77.416   6.5209   79.044   6.3752 -1.628242 9.119526 
1 1 1    9   32    4 o   75.908   4.1432  692.118   73.984  589.500  104.236  796.300  105.027   69.187   6.4547   80.914   5.5300 -11.72656 8.499640 
1 1 1    9   32    5 o   74.222   4.2262  662.378   73.763  593.900  104.300  730.900  104.334   69.441   6.4338   77.399   5.7497 -7.957893 8.628638 
1 1 1    9   32    6 o   41.341   2.6524  203.849   25.757  195.600   36.534  212.000   36.318   40.256   3.8918   41.966   3.7028 -1.709667 5.371881 
1 1 1    9   32    7 o   24.613   2.0385   72.280   11.741   87.900   16.537   56.400   16.673   27.078   2.6189   21.491   3.3985 5.587282 4.290474 
1 1 1    9   32    8 o   43.324   2.8157  224.137   28.649  205.700   40.840  242.000   40.200   41.191   4.2604   44.816   3.8357 -3.624638 5.732639 
1 1 1    9   32    9 o  121.730   6.6915  1827.43  191.607  1733.60  270.302  1922.20  271.651  115.584   10.002  122.290   9.4812 -6.706291 13.78171 
1 1 1    9   32   10 o   54.823   3.1824  359.499   41.022  340.300   57.716  379.100   58.316   52.942   4.6644   55.966   4.4494 -3.024403 6.446205 
1 1 1    9   32   11 o   75.996   4.1767  695.741   74.664  644.400  105.127  748.000  106.062   72.258   6.2219   78.104   5.7920 -5.846260 8.500508 
1 1 1    9   32   12 o   86.447   4.6558  904.364   94.690  1031.30  134.116  778.200  133.708   91.460   6.2473   78.800   7.2676 12.66020 9.583637 
1 1 1    9   32   13 o   67.646   3.8863  550.704   61.818  545.100   87.454  556.300   87.394   66.625   5.6110   67.340   5.5453 -0.7152023 7.888833 
1 1 1    9   32   14 o  114.957   6.4520  1638.09  174.436  1591.20  246.539  1685.10  246.842  110.238   9.5658  113.799   9.2663 -3.561569 13.31793 
1 1 1    9   32   15 o   50.256   2.9653  302.348   35.034  360.400   49.589  244.500   49.502   54.633   3.8689   44.671   4.7664 9.961327 6.139007 
1 1 1    9   32   16 o   33.322   2.1792  132.432   17.052  159.200   24.215  106.100   24.017   36.429   2.8374   29.551   3.5105 6.878048 4.513796 
1 1 1    9   32   17 o   19.623   1.7765   46.028   8.1425   53.100   11.575   39.100   11.456   20.995   2.3766   17.894   2.8032 3.100763 3.675117 
1 1 1    9   32   18 o   55.292   3.2732  368.014   42.545  389.200   60.220  346.900   60.116   56.367   4.5635   53.072   4.8506 3.295193 6.659870 
1 1 1    9   32   19 o   64.729   3.7225  507.555   56.658  571.100   80.187  444.200   80.067   67.980   5.0310   59.490   5.7723 8.490162 7.657048 
1 1 1    9   32   20 o   53.118   3.1521  340.274   39.359  365.000   55.749  315.700   55.577   54.505   4.3682   50.505   4.7146 4.000320 6.427203 
1 1 1    9   32   21 o   10.305   1.7346   12.953   4.0710   17.100   5.8657   9.1000   5.6545   11.794   2.1866   8.6634   2.5752 3.131104 3.378292 
1 1 1    9   32   22 o   11.010   1.7862   14.775   4.4846   10.500   6.4402   18.800   6.2485   9.2814   2.7459   12.369   2.2210 -3.087561 3.531634 
1 1 1    9   32   23 o   77.000   4.4816  735.458   81.134  710.800  114.759  760.100  114.722   73.589   6.6768   76.398   6.4187 -2.808495 9.261698 
1 1 1    9   32   24 o   22.853   1.8875   62.634   10.094   67.300   14.379   58.100   14.174   23.528   2.6332   21.793   2.8206 1.735899 3.858720 
1 1 1    9   32   25 o   39.373   2.5454  187.017   23.539  169.900   33.258  204.200   33.321   37.009   3.8625   40.776   3.4944 -3.766735 5.208617 
1 1 1    9   32   26 o   3.0016   1.3266  -0.6000   1.8492  -5.1000   2.6152   3.9000   2.6152   2.5960   1.2709   5.7250   1.7620 -3.128969 2.172482 
1 1 1    9   32   27 o   18.206   1.7740   39.866   7.5298   30.300   10.603   49.600   10.695   15.568   2.9928   20.217   2.2801 -4.649372 3.762461 
1 1 1    9   32   28 o   13.525   1.7427   22.152   5.4361   20.600   7.8245   23.600   7.5580   12.840   2.6679   13.824   2.4024 -0.9848490 3.590140 
1 1 1    9   32   29 o   30.546   2.2062  112.476   15.806  104.900   22.391  120.000   22.315   29.119   3.3155   31.267   3.0617 -2.148096 4.512967 
1 1 1    9   32   30 o   21.353   1.8642   54.878   9.3057   61.500   13.182   48.300   13.139   22.443   2.5315   19.749   2.9041 2.694370 3.852583 
1 1 1    9   32   31 o   22.651   1.9090   61.850   10.116   54.400   14.306   69.300   14.306   20.921   2.9800   23.791   2.5882 -2.870022 3.947034 
1 1 1    9   32   32 o   37.771   2.5002  173.643   22.174  169.000   31.335  178.300   31.381   36.640   3.6711   37.707   3.5667 -1.066669 5.118483 
1 1 1    9   32   33 o   8.6772   1.6695   9.3021   3.2967   4.7000   4.5266   14.500   4.8107   6.6145   2.3309   10.826   1.9537 -4.211473 3.041400 
1 1 1    9   32   34 o   12.581   1.7945   19.365   5.1800   15.400   7.4378   23.100   7.2184   10.986   2.8446   13.620   2.3281 -2.633736 3.675843 
1 1 1    9   32   35 o   40.903   2.6723  206.584   25.669  198.800   36.264  214.400   36.338   39.105   3.9828   40.768   3.8192 -1.663090 5.518110 
1 1 1    9   32   36 o   23.082   2.8620   67.000   15.265   0.0000   0.0000   67.000   15.265  ?   ?    23.082   2.8620 0.000000 2.862002 
1 1 1    9   32   37 o   35.633   2.4564  156.520   20.543  153.100   29.138  159.900   28.966   34.394   3.6432   35.250   3.5273 -0.8561401 5.070911 
1 1 1    9   32   38 o   19.541   1.9841   46.794   9.0282   47.800   12.807   45.800   12.729   19.374   2.8877   18.932   2.9428 0.4421253 4.122921 
1 1 1    9   32   39 o   36.442   2.5514  165.620   21.817  167.700   30.707  163.500   31.004   35.658   3.7007   35.108   3.8004 0.5503769 5.304557 
1 1 1    9   32   40 o   13.269   1.8477   21.837   5.6321   24.400   7.9860   19.300   7.9441   13.767   2.5505   12.108   2.8294 1.658548 3.809250 
1 1 1    9   32   41 o   26.525   3.3110   95.000   20.286   0.0000   0.0000   95.000   20.286  ?   ?    26.525   3.3110 0.000000 3.310972 
1 1 1    9   32   42 o   14.118   2.8569   27.100   9.1971   0.0000   0.0000   27.100   9.1971  ?   ?    14.118   2.8569 0.000000 2.856948 
1 1 1    9   32   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   32   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   32   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   32   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   33    0 o   3.3484   2.2222  -1.3000   4.6598  -1.3000   4.6598  -1.3000   4.6598   3.3484   2.2222   3.3484   2.2222 0.000000 0.000000 
1 1 1    9   33    1 o   57.138   3.3745  390.773   45.328  412.900   64.142  368.700   64.064   58.376   4.6928   55.052   4.9821 3.323799 6.844216 
1 1 1    9   33    2 o   68.305   3.7799  559.699   60.731  645.100   86.270  475.800   85.507   72.912   5.0416   62.251   5.8869 10.66130 7.750682 
1 1 1    9   33    3 o   68.265   3.9380  559.838   63.210  511.900   89.381  607.800   89.403   64.564   5.9289   70.616   5.4025 -6.052353 8.021152 
1 1 1    9   33    4 o   42.841   2.5962  218.840   26.140  248.900   37.258  189.700   36.683   45.527   3.4923   39.603   3.9764 5.923794 5.292222 
1 1 1    9   33    5 o   58.215   3.3724  405.756   46.161  452.400   65.383  359.400   65.180   61.140   4.5616   54.269   5.1479 6.870785 6.878174 
1 1 1    9   33    6 o   61.899   3.5824  459.456   52.139  499.300   73.870  419.900   73.602   64.110   4.9170   58.596   5.3795 5.514053 7.288054 
1 1 1    9   33    7 o   22.153   2.8044   59.300   14.342   59.300   14.342   0.0000   0.0000   22.153   2.8044  ?   ?  0.000000 2.804405 
1 1 1    9   33    8 f   39.419   2.5716  185.443   23.805  196.200   33.599  174.600   33.733   40.358   3.5622   37.998   3.8109 2.359921 5.216512 
1 1 1    9   33    9 o   47.665   2.8204  271.352   31.604  237.900   44.434  305.600   44.959   44.272   4.3047   50.365   3.8085 -6.092804 5.747621 
1 1 1    9   33   10 o   15.162   1.9080   27.672   6.6797   33.200   9.2692   21.700   9.6345   16.541   2.4470   13.226   3.1330 3.314663 3.975312 
1 1 1    9   33   11 o   52.786   3.1479  333.750   39.059  333.800   55.256  333.700   55.219   52.401   4.5095   52.394   4.5070 0.7122040E-02 6.375669 
1 1 1    9   33   12 o   75.473   4.3105  689.177   76.502  664.100  108.250  714.200  108.132   73.072   6.3363   75.945   6.0807 -2.872375 8.781960 
1 1 1    9   33   13 o   54.813   3.2141  360.380   41.420  403.500   58.624  317.400   58.528   57.651   4.3381   50.883   4.9331 6.767639 6.569206 
1 1 1    9   33   14 o   60.399   3.5215  438.938   50.007  424.400   70.692  453.500   70.750   58.768   5.1460   60.842   4.9679 -2.074001 7.152699 
1 1 1    9   33   15 o   20.915   1.8634   52.300   9.1065   48.600   12.635   56.300   13.136   20.003   2.7475   21.578   2.6327 -1.574675 3.805280 
1 1 1    9   33   16 o   31.799   2.2224  120.848   16.582  122.700   23.462  119.000   23.440   31.848   3.1616   31.348   3.2118 0.5002060 4.506823 
1 1 1    9   33   17 o   49.785   3.0187  298.035   35.321  302.400   50.036  293.700   49.866   49.691   4.3068   48.945   4.3603 0.7465591 6.128687 
1 1 1    9   33   18 o   72.197   4.1334  636.094   70.175  676.100   99.312  596.200   99.172   73.324   5.7827   68.525   6.1959 4.799484 8.475178 
1 1 1    9   33   19 o   57.368   3.4000  398.648   45.854  399.400   64.928  397.900   64.767   56.665   4.9006   56.559   4.8977 0.1055641 6.928506 
1 1 1    9   33   20 o   18.182   1.8070   39.685   7.6554   42.100   10.750   37.200   10.905   18.596   2.5123   17.409   2.7435 1.187004 3.719958 
1 1 1    9   33   21 o   7.7243   1.9357   7.3813   3.5236   8.2000   5.4681   6.8000   4.6078   8.2739   2.5480   7.5559   2.3410 0.7180200 3.460182 
1 1 1    9   33   22 o   35.915   2.3962  155.092   20.205  158.900   28.605  151.300   28.544   36.032   3.4022   35.121   3.4879 0.9110298 4.872395 
1 1 1    9   33   23 o   36.459   2.4028  159.982   20.570  141.300   29.038  178.800   29.144   33.813   3.6971   38.258   3.2570 -4.445126 4.927145 
1 1 1    9   33   24 o   22.545   1.9286   61.062   10.169   56.800   14.487   65.200   14.276   21.494   2.9307   23.129   2.6625 -1.634317 3.959513 
1 1 1    9   33   25 o   7.1493   1.7563   6.3291   2.9436   9.0000   4.3129   4.0000   4.0274   8.5110   2.1464   6.1992   2.1971 2.311791 3.071512 
1 1 1    9   33   26 o   11.687   1.7339   16.615   4.6399   19.900   6.6505   13.500   6.4767   12.694   2.3034   10.388   2.6360 2.306507 3.500631 
1 1 1    9   33   27 o   34.564   2.2304  143.789   18.106  104.700   25.506  183.500   25.708   28.913   3.8301   38.852   2.8214 -9.939253 4.757129 
1 1 1    9   33   28 o   26.577   2.0629   85.041   12.845   96.500   18.133   73.500   18.199   28.114   2.7673   24.343   3.2469 3.770903 4.266172 
1 1 1    9   33   29 o   29.369   2.1416  103.999   14.750  103.200   20.848  104.800   20.871   28.933   3.0997   29.167   3.0767 -0.2343674 4.367443 
1 1 1    9   33   30 o   11.495   1.8294   16.180   4.7990   12.700   7.0403   19.200   6.5590   10.071   2.8385   12.432   2.3196 -2.361221 3.665715 
1 1 1    9   33   31 o   14.844   1.7741   26.728   6.0954   23.800   8.6614   29.600   8.5795   13.746   2.7642   15.466   2.4293 -1.719734 3.680009 
1 1 1    9   33   32 o   23.911   1.9369   69.132   10.842   58.000   15.287   80.400   15.379   21.487   3.1027   25.575   2.5820 -4.087828 4.036512 
1 1 1    9   33   33 o   16.995   1.7654   35.019   6.9816   35.800   9.7606   34.200   9.9903   16.968   2.5120   16.532   2.6486 0.4357204 3.650362 
1 1 1    9   33   34 o   31.638   2.2342  122.153   16.584  112.800   23.395  131.600   23.513   29.781   3.3870   32.363   3.1153 -2.581745 4.601847 
1 1 1    9   33   35 o   10.597   1.9132   13.950   4.6111   8.7000   6.8078   18.400   6.2679   8.5537   2.8639   12.108   2.2757 -3.554700 3.657963 
1 1 1    9   33   36 o   19.335   1.8128   45.448   8.1800   52.400   11.700   38.800   11.441   20.538   2.4615   17.474   2.8726 3.064480 3.782926 
1 1 1    9   33   37 o   15.184   1.7448   28.148   6.1422   27.400   8.6725   28.900   8.7005   14.699   2.5933   15.131   2.5239 -0.4319773 3.618771 
1 1 1    9   33   38 f   10.707   1.9117   14.304   4.6559   14.900   6.8764   13.800   6.3268   10.728   2.7128   10.347   2.5943 0.3808661 3.753654 
1 1 1    9   33   39 o  ?   ?  -12.3000   1.3353   0.0000   0.0000 -12.3000   1.3353  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   33   40 o   9.0077   2.7727   10.600   6.4756   0.0000   0.0000   10.600   6.4756  ?   ?    9.0077   2.7727 0.000000 2.772658 
1 1 1    9   33   41 o   8.1229   2.7599   8.4000   6.3232   0.0000   0.0000   8.4000   6.3232  ?   ?    8.1229   2.7599 0.000000 2.759883 
1 1 1    9   33   42 o   18.643   3.0730   48.300   13.057   0.0000   0.0000   48.300   13.057  ?   ?    18.643   3.0730 0.000000 3.072955 
1 1 1    9   33   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   33   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   33   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   34    0 o   71.842   5.9881  632.600   99.961  632.600   99.961  632.600   99.961   71.842   5.9881   71.842   5.9881 0.000000 0.000000 
1 1 1    9   34    1 o   34.204   2.3460  139.533   18.834   97.100   26.630  182.000   26.640   28.155   4.1280   38.990   2.9146 -10.83434 5.053189 
1 1 1    9   34    2 o   56.408   3.3473  381.211   44.386  379.100   62.942  383.300   62.602   55.820   4.8225   56.149   4.7666 -0.3293686 6.780609 
1 1 1    9   34    3 o   61.505   3.5577  453.837   51.450  501.100   72.927  407.000   72.597   64.216   4.8450   57.635   5.3970 6.580387 7.252724 
1 1 1    9   34    4 o   15.722   1.8519   29.687   6.7431   22.400   9.3458   37.600   9.7386   13.449   3.0170   17.634   2.4012 -4.184226 3.855943 
1 1 1    9   34    5 f   57.031   3.1715  389.251   42.542  457.500   60.593  322.900   59.744   61.546   4.1942   51.406   4.9844 10.14022 6.514247 
1 1 1    9   34    6 o   96.446   5.4127  1136.08  122.772  1198.90  173.787  1073.50  173.465   97.535   7.6057   91.901   8.0753 5.634293 11.09307 
1 1 1    9   34    7 o   49.418   3.0274  292.328   35.157  300.600   49.636  284.000   49.805   49.787   4.2630   48.338   4.4119 1.449100 6.135046 
1 1 1    9   34    8 o   26.498   2.0689   83.806   12.843   94.100   18.292   73.800   18.035   27.969   2.8075   24.665   3.1699 3.304337 4.234433 
1 1 1    9   34    9 o   70.783   3.9942  604.403   66.488  521.600   93.833  687.900   94.225   64.762   6.2121   74.906   5.3625 -10.14425 8.206520 
1 1 1    9   34   10 o   51.489   3.1855  318.023   38.541  291.700   54.740  343.900   54.273   48.810   4.8119   53.196   4.3589 -4.385994 6.492632 
1 1 1    9   34   11 o   40.149   2.5525  192.638   24.074  199.900   34.193  185.500   33.900   40.665   3.5980   39.131   3.7132 1.533230 5.170430 
1 1 1    9   34   12 o   57.748   3.4365  401.367   46.649  384.800   66.106  417.800   65.839   55.924   5.0607   58.398   4.8175 -2.473267 6.987011 
1 1 1    9   34   13 o   65.931   3.7928  525.592   58.800  485.300   83.096  566.000   83.215   62.431   5.6995   67.717   5.2450 -5.285755 7.745581 
1 1 1    9   34   14 o   53.135   3.1208  339.481   38.986  317.000   54.990  362.200   55.279   50.787   4.6364   54.442   4.3359 -3.655045 6.347894 
1 1 1    9   34   15 o   46.714   2.9123  262.259   31.965  271.100   45.056  253.300   45.358   47.102   4.0915   45.448   4.2767 1.654465 5.918661 
1 1 1    9   34   16 o   68.452   3.9688  570.602   63.876  586.000   90.329  555.200   90.339   68.328   5.6492   66.376   5.8225 1.951149 8.112633 
1 1 1    9   34   17 o   48.278   2.9596  280.891   33.578  284.000   47.552  277.800   47.420   48.044   4.2348   47.495   4.2739 0.5486679 6.016657 
1 1 1    9   34   18 o   62.065   3.6520  469.100   53.287  469.200   75.378  469.000   75.340   61.079   5.2781   61.067   5.2765 0.1194763E-01 7.463185 
1 1 1    9   34   19 o   37.940   2.4963  173.015   22.239  183.100   31.427  162.900   31.475   38.721   3.4740   36.420   3.7117 2.301292 5.083828 
1 1 1    9   34   20 o   15.096   1.7025   27.428   5.9628   32.800   8.5321   22.300   8.3367   16.420   2.2604   13.392   2.7289 3.028234 3.543529 
1 1 1    9   34   21 o   36.530   2.4251  160.599   20.800  166.000   29.419  155.200   29.413   36.802   3.4246   35.525   3.5539 1.276936 4.935392 
1 1 1    9   34   22 o   11.334   1.7782   15.656   4.6026  10.0000   6.4563   21.500   6.5632   9.0827   2.7635   13.244   2.1741 -4.161451 3.516192 
1 1 1    9   34   23 o   33.816   2.3180  137.652   18.398  139.700   26.008  135.600   26.030   33.739   3.3069   33.214   3.3653 0.5254898 4.718173 
1 1 1    9   34   24 o   21.653   1.8661   56.311   9.4482   66.300   13.422   46.500   13.302   23.369   2.4698   19.385   3.0030 3.983576 3.888210 
1 1 1    9   34   25 o   34.609   2.3355  144.364   18.975  157.600   26.871  131.200   26.798   35.853   3.2078   32.554   3.5432 3.298874 4.779567 
1 1 1    9   34   26 o   29.921   2.1325  107.724   14.968   80.400   21.139  135.200   21.198   25.353   3.6350   33.355   2.7149 -8.001827 4.536973 
1 1 1    9   34   27 o   34.167   2.3124  140.832   18.547  161.300   26.305  120.600   26.154   36.279   3.1004   31.119   3.6272 5.160250 4.771704 
1 1 1    9   34   28 o   37.492   2.4966  170.358   21.976  167.500   31.122  173.200   31.037   36.651   3.6443   37.316   3.5658 -0.6648636 5.098585 
1 1 1    9   34   29 o   6.7273   1.8010   5.5988   2.9177   4.8000   4.0073   6.5000   4.2565   6.5207   2.1972   7.3342   2.2463 -0.8135414 3.142223 
1 1 1    9   34   30 f   12.573   1.7148   19.239   4.9585   14.500   7.0042   24.000   7.0205   10.706   2.7547   13.951   2.2044 -3.244883 3.528079 
1 1 1    9   34   31 o   8.0189   1.8021   8.0069   3.3293   8.4000   5.0280   7.7000   4.4429   8.2431   2.4226   7.8856   2.2659 0.3575568 3.317132 
1 1 1    9   34   32 o   4.5386   1.7288   1.7389   2.5685   3.8000   4.4369   0.7000   3.1500   6.2254   2.2926   4.4514   1.8405 1.773965 2.939971 
1 1 1    9   34   33 o   20.249   2.7408   51.300   12.769   0.0000   0.0000   51.300   12.769  ?   ?    20.249   2.7408 0.000000 2.740804 
1 1 1    9   34   34 o   10.541   1.7815   13.722   4.2764   14.200   5.9203   13.200   6.1838   10.578   2.4223   10.176   2.5722 0.4023428 3.533263 
1 1 1    9   34   35 o   13.937   1.8372   23.804   5.8990   18.000   8.4988   29.200   8.1944   11.786   3.0353   15.303   2.3422 -3.517203 3.833917 
1 1 1    9   34   36 o   16.384   1.8685   32.852   7.0995   30.900   10.330   34.600   9.7735   15.503   2.9290   16.568   2.5823 -1.064708 3.904841 
1 1 1    9   34   37 o   18.091   2.9150   42.000   12.029   0.0000   0.0000   42.000   12.029  ?   ?    18.091   2.9150 0.000000 2.914994 
1 1 1    9   34   38 o   28.775   3.3552  108.900   22.370   0.0000   0.0000  108.900   22.370  ?   ?    28.775   3.3552 0.000000 3.355169 
1 1 1    9   34   39 o   10.577   2.7776   14.900   7.0266   0.0000   0.0000   14.900   7.0266  ?   ?    10.577   2.7776 0.000000 2.777622 
1 1 1    9   34   40 o   10.950   2.8989   16.400   7.6135   0.0000   0.0000   16.400   7.6135  ?   ?    10.950   2.8989 0.000000 2.898903 
1 1 1    9   34   41 o   8.9938   2.8450   11.000   6.7680   0.0000   0.0000   11.000   6.7680  ?   ?    8.9938   2.8450 0.000000 2.844966 
1 1 1    9   34   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   34   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   34   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   35    0 o   64.558   5.4739  510.800   82.066  510.800   82.066  510.800   82.066   64.558   5.4739   64.558   5.4739 0.000000 0.000000 
1 1 1    9   35    1 o   77.681   4.1924  728.853   76.617  565.900  107.976  894.100  108.734   67.115   6.9120   85.436   5.4177 -18.32060 8.782197 
1 1 1    9   35    2 o   41.741   2.5667  208.044   25.176  239.300   35.962  178.000   35.257   44.587   3.4423   38.289   3.9566 6.298050 5.244394 
1 1 1    9   35    3 o   14.954   1.9765   26.979   6.8085   37.200   9.8150   17.500   9.4525   17.525   2.4378   11.913   3.2638 5.612309 4.073711 
1 1 1    9   35    4 o   25.470   2.0723   77.482   12.355   79.000   17.296   75.900   17.655   25.578   2.9157   25.039   3.0491 0.5397263 4.218760 
1 1 1    9   35    5 o   49.724   2.9687  296.018   34.699  334.100   49.288  258.600   48.857   52.550   4.0021   46.025   4.5553 6.525856 6.063579 
1 1 1    9   35    6 o   23.282   2.0261   64.802   11.028   71.200   15.475   58.200   15.720   24.294   2.7456   21.857   3.1356 2.437857 4.167791 
1 1 1    9   35    7 o   16.978   1.8587   34.588   7.3303   23.600   10.338   45.700   10.396   13.775   3.2334   19.475   2.3053 -5.699538 3.971098 
1 1 1    9   35    8 o   20.574   1.8719   50.620   8.9949   42.900   12.432   59.100   13.030   18.744   2.9026   22.137   2.5385 -3.393047 3.856039 
1 1 1    9   35    9 o   29.297   2.0472  102.421   14.074  128.700   20.257   77.900   19.568   32.753   2.6416   25.276   3.3618 7.476894 4.275463 
1 1 1    9   35   10 o   37.508   2.4101  168.185   21.233  182.600   30.203  154.100   29.856   38.879   3.3217   35.620   3.5989 3.258446 4.897526 
1 1 1    9   35   11 o   14.540   1.8763   25.507   6.2920   25.000   9.5232   25.900   8.3822   14.203   2.9365   14.534   2.5345 -0.3312931 3.878972 
1 1 1    9   35   12 o   24.548   1.9662   72.045   11.301   76.600   16.080   67.600   15.886   25.172   2.7501   23.594   2.9133 1.578037 4.006261 
1 1 1    9   35   13 o   26.834   2.0173   86.093   12.689  104.500   18.023   68.000   17.868   29.463   2.6177   23.561   3.3024 5.902563 4.214074 
1 1 1    9   35   14 o   76.773   4.5293  724.554   81.747  687.100  116.005  761.500  115.215   72.979   6.8103   77.252   6.3729 -4.273186 9.327019 
1 1 1    9   35   15 o   37.985   2.4721  173.140   22.053  168.000   30.866  178.500   31.520   37.094   3.5679   38.258   3.5288 -1.164314 5.018137 
1 1 1    9   35   16 o   50.289   2.9695  305.165   35.107  263.800   49.538  346.900   49.759   46.041   4.6188   53.180   3.9916 -7.139206 6.104559 
1 1 1    9   35   17 f   29.298   2.1175  102.868   14.550  109.000   20.631   96.800   20.525   29.958   2.9548   28.164   3.1396 1.794268 4.311329 
1 1 1    9   35   18 o   56.921   3.3981  394.204   45.466  381.000   64.309  407.400   64.287   55.022   5.0044   57.034   4.8185 -2.012466 6.947052 
1 1 1    9   35   19 o   67.831   3.8534  565.128   61.466  631.500   87.072  499.200   86.781   70.559   5.2639   62.065   5.9959 8.493893 7.978684 
1 1 1    9   35   20 o   41.160   2.6317  204.436   25.444  193.900   35.960  215.000   36.007   39.576   3.8986   41.790   3.6866 -2.213997 5.365605 
1 1 1    9   35   21 o   28.728   2.1077   99.128   14.198  106.500   20.109   91.800   20.049   29.559   2.9192   27.347   3.1631 2.212008 4.304290 
1 1 1    9   35   22 f   40.906   2.5986  202.075   24.971  217.200   35.402  187.100   35.226   41.993   3.6051   38.819   3.8954 3.173466 5.307653 
1 1 1    9   35   23 o   21.207   1.8848   54.058   9.3402   55.200   13.161   52.900   13.258   21.243   2.6835   20.764   2.7732 0.4783516 3.859031 
1 1 1    9   35   24 o   30.324   2.1633  110.628   15.389  119.800   21.790  101.500   21.737   31.308   2.9835   28.698   3.2658 2.610275 4.423417 
1 1 1    9   35   25 o   54.979   3.3274  370.503   42.994  378.100   60.792  362.900   60.815   54.508   4.7711   53.302   4.8861 1.206154 6.829154 
1 1 1    9   35   26 o   27.453   2.0722   90.749   13.334   91.000   18.884   90.500   18.832   27.211   2.9880   27.135   2.9885 0.7594872E-01 4.226073 
1 1 1    9   35   27 o   49.192   3.0492  296.507   35.244  293.500   49.900  299.500   49.786   47.971   4.4560   48.511   4.3938 -0.5398674 6.257940 
1 1 1    9   35   28 o   30.081   2.1884  109.431   15.438  106.600   21.760  112.300   21.905   29.300   3.1969   30.112   3.1262 -0.8122177 4.471411 
1 1 1    9   35   29 o   5.3910   1.8016   3.2875   2.6941   3.2000   3.5917   3.4000   4.0737   5.6794   2.0671   5.9488   2.1957 -0.2694235 3.015635 
1 1 1    9   35   30 o   23.230   1.9096   65.240   10.382   55.000   14.571   75.800   14.797   20.938   3.0356   24.831   2.5602 -3.893333 3.971078 
1 1 1    9   35   31 o   21.578   2.7492   58.000   13.690   0.0000   0.0000   58.000   13.690  ?   ?    21.578   2.7492 0.000000 2.749218 
1 1 1    9   35   32 o   36.008   3.6236  166.000   30.392   0.0000   0.0000  166.000   30.392  ?   ?    36.008   3.6236 0.000000 3.623619 
1 1 1    9   35   33 o   27.821   3.1001   97.700   20.020   0.0000   0.0000   97.700   20.020  ?   ?    27.821   3.1001 0.000000 3.100143 
1 1 1    9   35   34 o   24.269   1.9983   71.741   11.350   72.100   16.253   71.400   15.856   23.916   2.9400   23.830   2.8759 0.8591270E-01 4.112660 
1 1 1    9   35   35 o   10.513   1.8822   13.745   4.5009   14.200   6.4018   13.300   6.3294   10.523   2.5930   10.184   2.6176 0.3394089 3.684517 
1 1 1    9   35   36 o   10.686   2.7587   14.800   7.0090   0.0000   0.0000   14.800   7.0090  ?   ?    10.686   2.7587 0.000000 2.758688 
1 1 1    9   35   37 o   25.348   3.1924   83.900   18.685   0.0000   0.0000   83.900   18.685  ?   ?    25.348   3.1924 0.000000 3.192398 
1 1 1    9   35   38 o   8.6488   2.5906   9.7000   5.7062   0.0000   0.0000   9.7000   5.7062  ?   ?    8.6488   2.5906 0.000000 2.590591 
1 1 1    9   35   39 o   3.5760   1.6030  -1.1000   2.7995   0.0000   0.0000  -1.1000   2.7995  ?   ?    3.5760   1.6030 0.000000 1.602987 
1 1 1    9   35   40 o   12.944   2.7292   22.800   8.0793   0.0000   0.0000   22.800   8.0793  ?   ?    12.944   2.7292 0.000000 2.729237 
1 1 1    9   35   41 o   15.906   3.1072   35.800   11.252   0.0000   0.0000   35.800   11.252  ?   ?    15.906   3.1072 0.000000 3.107185 
1 1 1    9   35   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   35   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   36    0 o   13.626   3.0759   25.100   8.6339   25.100   8.6339   25.100   8.6339   13.626   3.0759   13.626   3.0759 0.000000 0.000000 
1 1 1    9   36    1 o   73.371   4.0301  651.687   69.555  795.100   98.647  509.900   98.087   80.408   5.2238   63.529   6.6364 16.87934 8.445711 
1 1 1    9   36    2 o   36.774   2.4282  161.663   20.967  169.300   30.030  154.400   29.287   37.410   3.4379   35.691   3.5209 1.719021 4.920955 
1 1 1    9   36    3 o   43.325   2.6591  224.652   27.072  183.400   38.060  266.900   38.517   38.714   4.2323   47.019   3.4940 -8.305267 5.488218 
1 1 1    9   36    4 o   91.489   5.0392  1026.92  108.445  882.900  152.903  1172.70  153.831   82.548   7.9422   96.323   6.8070 -13.77472 10.46010 
1 1 1    9   36    5 o   31.722   2.2800  120.314   16.964  121.100   23.784  119.500   24.204   31.629   3.2297   31.397   3.3149 0.2323666 4.628119 
1 1 1    9   36    6 o  100.428   5.3831  1245.76  127.193  1008.60  179.173  1486.70  180.593   87.169   8.8262  107.987   7.1221 -20.81821 11.34139 
1 1 1    9   36    7 o   42.473   2.6546  216.133   26.490  243.000   37.653  189.800   37.276   44.785   3.5906   39.399   4.0651 5.386288 5.423794 
1 1 1    9   36    8 o   48.998   3.0136  288.655   34.698  275.700   49.080  301.600   49.063   47.386   4.4379   49.666   4.2235 -2.280045 6.126429 
1 1 1    9   36    9 o   59.704   3.5374  431.143   49.650  406.200   70.276  456.000   70.154   57.125   5.2692   60.737   4.9341 -3.611938 7.218693 
1 1 1    9   36   10 o   80.952   4.7457  806.662   90.320  767.000  128.159  845.800  127.309   77.001   7.1293   81.298   6.6910 -4.297066 9.777347 
1 1 1    9   36   11 o   19.408   1.8305   45.137   8.2899   47.800   12.125   42.800   11.360   19.822   2.6574   18.742   2.6399 1.079969 3.745762 
1 1 1    9   36   12 o   58.650   3.2960  416.060   45.462  472.300   64.667  361.100   63.926   61.905   4.4535   53.736   5.0989 8.168686 6.770010 
1 1 1    9   36   13 o   22.597   1.9511   61.204   10.309   50.900   14.653   71.300   14.505   20.331   3.1544   24.279   2.5691 -3.948259 4.068218 
1 1 1    9   36   14 o   59.467   3.4300  429.315   47.961  464.500   68.105  394.700   67.551   61.107   4.7574   56.051   5.1618 5.056046 7.019700 
1 1 1    9   36   15 o   44.165   2.7665  235.122   28.707  202.400   40.488  268.200   40.708   40.370   4.3141   46.809   3.7134 -6.439758 5.692113 
1 1 1    9   36   16 o   47.627   2.8950  274.063   32.404  241.000   45.767  307.300   45.887   43.959   4.4713   49.981   3.9194 -6.022190 5.945932 
1 1 1    9   36   17 o   31.915   2.0682  122.027   15.502  147.400   22.475   99.000   21.411   34.905   2.7491   28.417   3.2492 6.488182 4.256124 
1 1 1    9   36   18 o   24.211   1.9675   70.350   11.151   75.700   15.770   65.000   15.770   24.944   2.7215   23.025   2.9697 1.918615 4.028103 
1 1 1    9   36   19 o   21.051   1.8736   53.220   9.2164   54.800   13.162   51.700   12.909   21.180   2.6927   20.553   2.7272 0.6261139 3.832499 
1 1 1    9   36   20 o   7.3179   1.8164   6.6306   3.1241   6.0000   4.3538   7.3000   4.4856   7.1506   2.2839   7.7481   2.2914 -0.5975137 3.235246 
1 1 1    9   36   21 o   17.078   1.8080   35.134   7.1803   36.600   10.403   33.800   9.9232   17.251   2.6375   16.567   2.6240 0.6834145 3.720440 
1 1 1    9   36   22 o   33.052   2.2869  131.545   17.739  134.000   25.114  129.100   25.060   33.035   3.2620   32.397   3.3229 0.6380920 4.656423 
1 1 1    9   36   23 o   11.432   1.7254   15.912   4.5130   20.200   6.4507   11.800   6.3161   12.810   2.2126   9.7361   2.6681 3.073540 3.466177 
1 1 1    9   36   24 o   41.157   2.6311  205.154   25.437  195.100   35.891  215.300   36.055   39.548   3.8938   41.664   3.7034 -2.115952 5.373685 
1 1 1    9   36   25 o   11.335   1.7850   15.697   4.6197   17.400   6.6415   14.100   6.4302   11.806   2.4620   10.599   2.5909 1.207054 3.574146 
1 1 1    9   36   26 o   38.611   2.5499  181.108   23.117  179.600   32.782  182.600   32.604   37.864   3.7143   38.214   3.6578 -0.3497772 5.213014 
1 1 1    9   36   27 o   45.418   2.8415  252.582   30.321  232.200   42.810  273.100   42.952   42.562   4.3194   46.477   3.9512 -3.914749 5.853954 
1 1 1    9   36   28 o   32.473   2.2012  127.759   16.779  157.900   23.785   97.900   23.674   35.827   2.8346   27.752   3.7050 8.075169 4.664959 
1 1 1    9   36   29 o   37.152   3.6566  175.000   31.664   0.0000   0.0000  175.000   31.664  ?   ?    37.152   3.6566 0.000000 3.656589 
1 1 1    9   36   30 o   30.341   3.2368  115.900   22.832   0.0000   0.0000  115.900   22.832  ?   ?    30.341   3.2368 0.000000 3.236788 
1 1 1    9   36   31 o   10.009   2.4256   12.700   5.6729   0.0000   0.0000   12.700   5.6729  ?   ?    10.009   2.4256 0.000000 2.425627 
1 1 1    9   36   32 o   20.776   2.7637   54.100   13.222   0.0000   0.0000   54.100   13.222  ?   ?    20.776   2.7637 0.000000 2.763655 
1 1 1    9   36   33 o   21.924   2.7650   60.300   13.996   0.0000   0.0000   60.300   13.996  ?   ?    21.924   2.7650 0.000000 2.765024 
1 1 1    9   36   34 o   28.506   3.1960  103.700   21.143   0.0000   0.0000  103.700   21.143  ?   ?    28.506   3.1960 0.000000 3.196024 
1 1 1    9   36   35 o   10.731   2.5187   14.800   6.2728   0.0000   0.0000   14.800   6.2728  ?   ?    10.731   2.5187 0.000000 2.518702 
1 1 1    9   36   36 o   27.958   3.2571  102.300   21.100   0.0000   0.0000  102.300   21.100  ?   ?    27.958   3.2571 0.000000 3.257099 
1 1 1    9   36   37 o   4.7839   1.9564   1.2000   3.5097   0.0000   0.0000   1.2000   3.5097  ?   ?    4.7839   1.9564 0.000000 1.956415 
1 1 1    9   36   38 o   3.7379   1.7426  -3.2000   3.7671   0.0000   0.0000  -3.2000   3.7671  ?   ?    3.7379   1.7426 0.000000 1.742612 
1 1 1    9   36   39 o   9.6946   2.8208   12.900   6.8470   0.0000   0.0000   12.900   6.8470  ?   ?    9.6946   2.8208 0.000000 2.820817 
1 1 1    9   36   40 o   3.2915   1.5790  -4.7000   3.5399   0.0000   0.0000  -4.7000   3.5399  ?   ?    3.2915   1.5790 0.000000 1.578967 
1 1 1    9   36   41 o   6.2257   2.5725   2.7000   6.1484   0.0000   0.0000   2.7000   6.1484  ?   ?    6.2257   2.5725 0.000000 2.572503 
1 1 1    9   36   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   37    0 o   43.843   4.0280  235.600   40.892  235.600   40.892  235.600   40.892   43.843   4.0280   43.843   4.0280 0.000000 0.000000 
1 1 1    9   37    1 o   14.116   1.8094   24.035   5.8922   20.100   8.1698   28.300   8.5060   12.723   2.7957   15.220   2.4499 -2.497362 3.717253 
1 1 1    9   37    2 o   38.589   2.4563  178.300   22.267  218.500   31.589  138.600   31.392   42.550   3.1666   33.584   4.0394 8.966259 5.132689 
1 1 1    9   37    3 o   41.433   2.6863  205.992   26.141  180.400   36.963  231.600   36.974   38.328   4.1503   43.667   3.6183 -5.338924 5.506098 
1 1 1    9   37    4 o   49.569   3.0102  295.659   35.068  337.300   49.738  254.500   49.450   52.574   4.0373   45.365   4.6837 7.209469 6.183527 
1 1 1    9   37    5 o   19.436   1.8606   45.276   8.4349   34.900   11.676   56.600   12.198   16.806   3.0548   21.651   2.4278 -4.845257 3.902025 
1 1 1    9   37    6 o   21.475   1.9199   55.244   9.6334   56.600   13.653   53.900   13.594   21.582   2.7408   21.038   2.8064 0.5437756 3.922798 
1 1 1    9   37    7 o   27.794   2.1263   92.509   13.850   99.400   19.719   85.800   19.456   28.635   2.9589   26.530   3.1683 2.104883 4.335175 
1 1 1    9   37    8 o   20.133   1.8462   48.575   8.6795   54.300   12.662   43.500   11.921   21.155   2.5886   18.865   2.7575 2.290474 3.782180 
1 1 1    9   37    9 o   57.786   2.9276  402.018   39.818  510.800   56.911  297.700   55.731   64.773   3.7367   48.841   4.8982 15.93199 6.160800 
1 1 1    9   37   10 o   22.138   2.0806   58.880   10.748   34.000   15.402   82.500   15.007   16.383   4.0130   26.160   2.4582 -9.776617 4.706048 
1 1 1    9   37   11 o   43.590   2.6312  228.442   26.956  259.000   38.448  198.900   37.803   46.090   3.5602   40.169   4.0402 5.921310 5.385024 
1 1 1    9   37   12 o   34.249   2.3686  140.851   19.038  134.800   27.039  146.800   26.811   33.172   3.5049   34.696   3.3126 -1.524040 4.822635 
1 1 1    9   37   13 o   42.602   2.3935  217.781   23.981  268.400   34.621  171.100   33.248   47.051   3.1341   37.265   3.8330 9.786068 4.951215 
1 1 1    9   37   14 o   67.147   3.9471  554.098   62.309  555.300   88.204  552.900   88.034   65.819   5.7323   65.674   5.7341 0.1447067 8.108007 
1 1 1    9   37   15 o   56.916   3.5722  396.050   47.766  310.600   67.711  480.700   67.393   48.880   5.9917   62.019   4.6353 -13.13835 7.575431 
1 1 1    9   37   16 o   39.223   2.5924  185.577   23.875  175.100   33.890  195.900   33.640   37.609   3.8714   39.917   3.6079 -2.307972 5.291968 
1 1 1    9   37   17 o   40.011   2.5405  192.978   23.878  214.700   33.945  171.700   33.596   41.853   3.4659   37.223   3.8791 4.629803 5.201923 
1 1 1    9   37   18 o   19.411   1.8936   45.334   8.5691   46.500   12.846   44.400   11.502   19.430   2.8877   19.046   2.6274 0.3844814 3.904072 
1 1 1    9   37   19 o   31.323   2.2161  118.000   16.286  129.200   23.084  106.900   22.980   32.530   3.0404   29.453   3.3645 3.076639 4.534746 
1 1 1    9   37   20 o   51.597   3.1894  324.583   38.669  310.500   54.850  338.500   54.524   49.527   4.7481   51.907   4.4927 -2.379284 6.536760 
1 1 1    9   37   21 o   63.246   3.6492  492.522   54.267  525.700   77.132  460.000   76.365   64.083   5.1405   59.605   5.4872 4.477615 7.518926 
1 1 1    9   37   22 o   46.456   2.8993  262.334   31.647  272.100   44.791  252.600   44.719   46.657   4.1073   44.841   4.2752 1.816853 5.928500 
1 1 1    9   37   23 o   57.760   3.4268  410.573   46.530  432.300   65.922  389.000   65.687   58.122   4.8474   54.868   5.1294 3.254623 7.057481 
1 1 1    9   37   24 o   25.430   2.0162   77.948   12.008   78.100   17.082   77.800   16.883   25.174   2.9283   25.136   2.8974 0.3799057E-01 4.119446 
1 1 1    9   37   25 o   10.555   1.8433   13.703   4.4273   12.600   6.4261   14.700   6.1083   10.016   2.6689   10.825   2.4471 -0.8095455 3.620948 
1 1 1    9   37   26 o   42.638   2.6001  221.621   26.054  174.800   36.698  269.200   36.994   36.854   4.2977   46.508   3.3919 -9.654556 5.474968 
1 1 1    9   37   27 o   36.682   3.6171  169.700   30.924   0.0000   0.0000  169.700   30.924  ?   ?    36.682   3.6171 0.000000 3.617148 
1 1 1    9   37   28 o   23.527   2.8844   69.000   15.689   0.0000   0.0000   69.000   15.689  ?   ?    23.527   2.8844 0.000000 2.884398 
1 1 1    9   37   29 o   32.267   3.3516  131.600   25.165   0.0000   0.0000  131.600   25.165  ?   ?    32.267   3.3516 0.000000 3.351603 
1 1 1    9   37   30 o   47.947   4.5852  306.100   51.280   0.0000   0.0000  306.100   51.280  ?   ?    47.947   4.5852 0.000000 4.585187 
1 1 1    9   37   31 o   15.491   2.5462   30.100   8.9899   0.0000   0.0000   30.100   8.9899  ?   ?    15.491   2.5462 0.000000 2.546161 
1 1 1    9   37   32 o   24.917   2.9575   78.300   17.062   0.0000   0.0000   78.300   17.062  ?   ?    24.917   2.9575 0.000000 2.957532 
1 1 1    9   37   33 o   13.448   2.6801   23.100   8.2121   0.0000   0.0000   23.100   8.2121  ?   ?    13.448   2.6801 0.000000 2.680092 
1 1 1    9   37   34 o   13.931   2.5965   24.800   8.2269   0.0000   0.0000   24.800   8.2269  ?   ?    13.931   2.5965 0.000000 2.596469 
1 1 1    9   37   35 o   22.436   2.9716   65.200   15.356   0.0000   0.0000   65.200   15.356  ?   ?    22.436   2.9716 0.000000 2.971567 
1 1 1    9   37   36 o   13.321   2.8292   23.600   8.6248   0.0000   0.0000   23.600   8.6248  ?   ?    13.321   2.8292 0.000000 2.829184 
1 1 1    9   37   37 o   11.815   2.9237   19.100   8.1126   0.0000   0.0000   19.100   8.1126  ?   ?    11.815   2.9237 0.000000 2.923739 
1 1 1    9   37   38 o   15.764   2.8982   33.900   10.391   0.0000   0.0000   33.900   10.391  ?   ?    15.764   2.8982 0.000000 2.898195 
1 1 1    9   37   39 o   4.9127   2.1644  -0.6000   4.8846   0.0000   0.0000  -0.6000   4.8846  ?   ?    4.9127   2.1644 0.000000 2.164422 
1 1 1    9   37   40 o   3.0407   1.4917  -6.9000   3.6611   0.0000   0.0000  -6.9000   3.6611  ?   ?    3.0407   1.4917 0.000000 1.491668 
1 1 1    9   37   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   38    0 o   4.1588   2.5476   1.7000   4.7914   1.7000   4.7914   1.7000   4.7914   4.1588   2.5476   4.1588   2.5476 0.000000 0.000000 
1 1 1    9   38    1 o   76.937   4.4373  728.446   80.273  688.300  113.378  768.800  113.670   72.975   6.6526   77.522   6.2630 -4.547768 9.136850 
1 1 1    9   38    2 o   33.261   2.3026  132.615   17.974  121.400   25.379  143.900   25.459   31.512   3.4681   34.430   3.1669 -2.918041 4.696454 
1 1 1    9   38    3 o   71.715   3.9103  627.657   65.969  461.400   93.005  796.000   93.586   59.574   6.7292   79.998   4.9788 -20.42393 8.370833 
1 1 1    9   38    4 o   34.819   2.3652  145.410   19.332  155.200   27.539  135.900   27.143   35.720   3.3023   33.345   3.4993 2.374733 4.811487 
1 1 1    9   38    5 o   22.899   2.8816   63.900   15.237   63.900   15.237   0.0000   0.0000   22.899   2.8816  ?   ?  0.000000 2.881635 
1 1 1    9   38    6 o   49.749   3.0560  299.000   35.727  278.200   50.525  319.800   50.525   47.318   4.5792   50.935   4.2393 -3.616684 6.240267 
1 1 1    9   38    7 o   13.723   1.8605   22.800   5.8736   24.400   8.4437   21.300   8.1758   14.051   2.6419   13.091   2.7330 0.9591980 3.801176 
1 1 1    9   38    8 o   25.969   1.9925   80.780   12.125   91.000   17.432   71.200   16.877   27.410   2.7296   24.138   3.0275 3.271849 4.076307 
1 1 1    9   38    9 o   30.821   2.1803  113.913   15.766   88.700   22.258  139.300   22.335   26.799   3.6091   33.936   2.8125 -7.137697 4.575557 
1 1 1    9   38   10 o   28.528   2.1312   97.636   14.253  101.300   20.337   94.100   19.981   28.833   3.0324   27.759   3.1013 1.074253 4.337490 
1 1 1    9   38   11 f   20.038   2.0555   48.373   9.5885   35.200   14.036   59.900   13.130   16.695   3.6612   22.213   2.5493 -5.518778 4.461303 
1 1 1    9   38   12 o   21.033   1.9845   53.192   9.7399   43.000   14.020   62.700   13.541   18.575   3.3181   22.723   2.5688 -4.147905 4.196235 
1 1 1    9   38   13 o   10.977   1.8941   14.754   4.7319   14.200   6.7167   15.300   6.6674   10.665   2.6725   11.072   2.5953 -0.4075260 3.725319 
1 1 1    9   38   14 o   38.141   2.4817  175.191   22.230  186.700   31.880  164.300   31.012   39.012   3.4978   36.520   3.6449 2.492268 5.051758 
1 1 1    9   38   15 o   3.2942   1.3999   0.0095   1.9006  -4.9000   3.0003   3.3000   2.4562   2.9311   1.4180   5.3380   1.7166 -2.406860 2.226486 
1 1 1    9   38   16 o   33.380   2.4200  134.293   18.945  118.800   27.102  149.100   26.494   30.925   3.7907   34.905   3.2519 -3.979950 4.994427 
1 1 1    9   38   17 o   27.442   2.0117   90.379   12.945  100.400   18.517   80.800   18.104   28.733   2.7632   25.665   3.0467 3.068239 4.113106 
1 1 1    9   38   18 o   48.596   2.7154  285.470   31.035  346.400   44.567  228.100   43.245   53.107   3.5746   42.639   4.3562 10.46833 5.635126 
1 1 1    9   38   19 o   30.607   2.1743  112.685   15.612  119.800   22.263  105.800   21.899   31.291   3.0519   29.333   3.2143 1.958403 4.432353 
1 1 1    9   38   20 o   13.033   1.8244   20.638   5.4609   17.200   7.8263   23.900   7.6234   11.699   2.8576   13.917   2.4068 -2.218642 3.736105 
1 1 1    9   38   21 f   84.803   5.0759  922.847  101.178  907.300  143.304  938.300  142.871   80.151   7.6650   81.835   7.4759 -1.683701 10.70713 
1 1 1    9   38   22 o   12.611   1.8828   19.416   5.4352   20.400   8.7610   18.800   6.9300   12.703   2.9734   12.276   2.4760 0.4261866 3.869288 
1 1 1    9   38   23 o   17.602   1.8969   37.490   7.7597   35.500   11.243   39.300   10.723   16.847   2.9328   17.839   2.6240 -0.9916363 3.935328 
1 1 1    9   38   24 o   29.494   2.1115  105.105   14.608  115.400   21.142   95.700   20.209   30.584   2.9646   27.755   3.1385 2.829205 4.317346 
1 1 1    9   38   25 o   8.0889   2.4480   8.0000   5.0759   0.0000   0.0000   8.0000   5.0759  ?   ?    8.0889   2.4480 0.000000 2.447956 
1 1 1    9   38   26 o   22.139   2.7574   60.800   14.102   0.0000   0.0000   60.800   14.102  ?   ?    22.139   2.7574 0.000000 2.757360 
1 1 1    9   38   27 o   12.675   2.4888   20.200   7.1832   0.0000   0.0000   20.200   7.1832  ?   ?    12.675   2.4888 0.000000 2.488835 
1 1 1    9   38   28 o   14.267   2.5785   25.600   8.3671   0.0000   0.0000   25.600   8.3671  ?   ?    14.267   2.5785 0.000000 2.578461 
1 1 1    9   38   29 o   41.113   4.0001  219.400   38.342   0.0000   0.0000  219.400   38.342  ?   ?    41.113   4.0001 0.000000 4.000113 
1 1 1    9   38   30 o   19.235   2.6783   46.300   11.835   0.0000   0.0000   46.300   11.835  ?   ?    19.235   2.6783 0.000000 2.678335 
1 1 1    9   38   31 o   10.881   2.5281   15.100   6.3718   0.0000   0.0000   15.100   6.3718  ?   ?    10.881   2.5281 0.000000 2.528069 
1 1 1    9   38   32 o   28.123   3.1430  100.800   20.515   0.0000   0.0000  100.800   20.515  ?   ?    28.123   3.1430 0.000000 3.142978 
1 1 1    9   38   33 f   24.153   2.9501   74.600   16.476   0.0000   0.0000   74.600   16.476  ?   ?    24.153   2.9501 0.000000 2.950068 
1 1 1    9   38   34 o   20.960   2.8603   56.800   13.787   0.0000   0.0000   56.800   13.787  ?   ?    20.960   2.8603 0.000000 2.860281 
1 1 1    9   38   35 o   17.136   2.7628   38.500   10.799   0.0000   0.0000   38.500   10.799  ?   ?    17.136   2.7628 0.000000 2.762829 
1 1 1    9   38   36 o   23.956   3.2473   78.600   17.897   0.0000   0.0000   78.600   17.897  ?   ?    23.956   3.2473 0.000000 3.247339 
1 1 1    9   38   37 o   6.2181   2.4707   3.3000   5.4229   0.0000   0.0000   3.3000   5.4229  ?   ?    6.2181   2.4707 0.000000 2.470679 
1 1 1    9   38   38 o  ?   ?   -9.9000   2.4398   0.0000   0.0000  -9.9000   2.4398  ?   ?   ?   ?  0.000000      ? 
1 1 1    9   38   39 o   11.726   2.7746   19.100   7.5629   0.0000   0.0000   19.100   7.5629  ?   ?    11.726   2.7746 0.000000 2.774584 
1 1 1    9   38   40 o   9.1944   2.7384   11.800   6.3892   0.0000   0.0000   11.800   6.3892  ?   ?    9.1944   2.7384 0.000000 2.738366 
1 1 1    9   39    0 o   15.985   2.9920   33.400   10.135   33.400   10.135   33.400   10.135   15.985   2.9920   15.985   2.9920 0.000000 0.000000 
1 1 1    9   39    1 o   33.173   2.2096  131.921   17.210  113.200   24.011  151.700   24.680   30.395   3.4038   35.374   2.9824 -4.978525 4.525548 
1 1 1    9   39    2 o   16.898   1.9859   34.471   7.7733   28.700   11.583   39.200   10.485   15.119   3.3339   17.918   2.5500 -2.798980 4.197348 
1 1 1    9   39    3 o   56.900   3.4814  394.218   46.552  347.000   65.987  441.000   65.682   52.253   5.4271   59.460   4.7167 -7.206573 7.190333 
1 1 1    9   39    4 o   16.243   1.9682   31.877   7.3952   31.300   10.726   32.400   10.210   15.877   2.9700   16.207   2.7671 -0.3303308 4.059324 
1 1 1    9   39    5 o   27.334   2.0166   89.517   12.924  108.000   18.583   72.200   17.988   29.886   2.6610   24.241   3.2223 5.645765 4.178966 
1 1 1    9   39    6 o   31.905   2.2622  122.226   16.933  119.900   23.825  124.600   24.070   31.318   3.2699   31.942   3.2358 -0.6247292 4.600298 
1 1 1    9   39    7 o   30.016   2.1679  108.109   15.262  113.400   21.774  103.000   21.398   30.507   3.0640   29.028   3.1735 1.479393 4.411246 
1 1 1    9   39    8 o   71.384   4.2858  630.569   71.908  541.200  101.848  719.400  101.541   63.891   6.8580   74.884   5.7873 -10.99294 8.973594 
1 1 1    9   39    9 o   44.643   2.8786  241.094   30.183  216.000   42.853  265.800   42.520   41.565   4.4345   46.423   3.9154 -4.857246 5.915658 
1 1 1    9   39   10 o   13.608   1.7459   22.384   5.4808   31.900   7.9345   13.700   7.5798   16.212   2.1237   10.507   2.9396 5.705328 3.626468 
1 1 1    9   39   11 o   40.830   2.6573  201.175   25.480  199.500   36.315  202.800   35.761   40.179   3.8756   40.557   3.7776 -0.3778114 5.412085 
1 1 1    9   39   12 o   11.131   2.0611   15.249   5.2182   16.200   8.1931   14.600   6.7685   11.378   3.0049   10.810   2.6678 0.5672235 4.018266 
1 1 1    9   39   13 o   22.111   1.8785   58.670   9.7153   68.300   13.834   49.300   13.646   23.730   2.5068   19.998   2.9810 3.732130 3.894915 
1 1 1    9   39   14 o   21.391   1.8398   54.914   9.2029   70.000   13.414   41.500   12.649   24.049   2.3939   18.296   3.0341 5.753546 3.864838 
1 1 1    9   39   15 o   54.532   2.5211  357.236   32.464  501.800   46.634  221.300   45.221   64.366   3.0682   41.856   4.6541 22.51014 5.574478 
1 1 1    9   39   16 o   31.149   2.1435  116.583   15.671  136.000   22.318   97.700   22.009   33.441   2.8536   28.131   3.3809 5.310083 4.424205 
1 1 1    9   39   17 o   29.649   2.0997  105.621   14.605  115.700   21.012   96.200   20.315   30.795   2.9245   27.991   3.1269 2.804621 4.281437 
1 1 1    9   39   18 o   11.202   1.8468   15.353   4.7150   17.800   7.1830   13.500   6.2499   11.931   2.6213   10.388   2.5636 1.542747 3.666451 
1 1 1    9   39   19 o   25.817   2.1373   80.388   12.913   70.700   18.601   89.400   17.940   23.813   3.4048   27.023   2.8547 -3.209690 4.443233 
1 1 1    9   39   20 o   30.557   2.2614  112.801   16.201  103.100   23.096  122.200   22.733   28.767   3.4701   31.509   3.0953 -2.742035 4.649974 
1 1 1    9   39   21 o   28.247   2.1390   96.322   14.162   98.900   20.346   93.900   19.724   28.293   3.0959   27.566   3.0829 0.7269993 4.369076 
1 1 1    9   39   22 o   23.010   1.9455   63.896   10.472   64.100   14.977   63.700   14.646   22.772   2.8476   22.720   2.7885 0.5145836E-01 3.985536 
1 1 1    9   39   23 o   3.6664   1.5779  -0.2000   2.4701   0.0000   0.0000  -0.2000   2.4701  ?   ?    3.6664   1.5779 0.000000 1.577851 
1 1 1    9   39   24 o   79.411   8.0853  970.200  149.501   0.0000   0.0000  970.200  149.501  ?   ?    79.411   8.0853 0.000000 8.085340 
1 1 1    9   39   25 o   31.745   3.3050  126.600   24.411   0.0000   0.0000  126.600   24.411  ?   ?    31.745   3.3050 0.000000 3.305023 
1 1 1    9   39   26 o   21.918   2.7960   59.900   14.141   0.0000   0.0000   59.900   14.141  ?   ?    21.918   2.7960 0.000000 2.796031 
1 1 1    9   39   27 o   46.742   4.4510  288.000   48.533   0.0000   0.0000  288.000   48.533  ?   ?    46.742   4.4510 0.000000 4.450954 
1 1 1    9   39   28 o   19.203   2.6934   46.100   11.877   0.0000   0.0000   46.100   11.877  ?   ?    19.203   2.6934 0.000000 2.693353 
1 1 1    9   39   29 o   40.834   4.0152  217.700   38.215   0.0000   0.0000  217.700   38.215  ?   ?    40.834   4.0152 0.000000 4.015199 
1 1 1    9   39   30 o   36.125   3.6619  168.800   30.806   0.0000   0.0000  168.800   30.806  ?   ?    36.125   3.6619 0.000000 3.661883 
1 1 1    9   39   31 o   32.233   3.4066  134.200   25.536   0.0000   0.0000  134.200   25.536  ?   ?    32.233   3.4066 0.000000 3.406562 
1 1 1    9   39   32 o   13.430   2.5461   23.100   7.7789   0.0000   0.0000   23.100   7.7789  ?   ?    13.430   2.5461 0.000000 2.546081 
1 1 1    9   39   33 o   4.3559   1.8604   0.1000   3.3869   0.0000   0.0000   0.1000   3.3869  ?   ?    4.3559   1.8604 0.000000 1.860370 
1 1 1    9   39   34 o   9.2551   2.7413   11.300   6.4159   0.0000   0.0000   11.300   6.4159  ?   ?    9.2551   2.7413 0.000000 2.741255 
1 1 1    9   39   35 o   22.226   3.0317   66.700   15.496   0.0000   0.0000   66.700   15.496  ?   ?    22.226   3.0317 0.000000 3.031665 
1 1 1    9   39   36 o   6.2965   2.4033   4.0000   4.9701   0.0000   0.0000   4.0000   4.9701  ?   ?    6.2965   2.4033 0.000000 2.403332 
1 1 1    9   39   37 o   12.870   3.0398   23.400   9.0908   0.0000   0.0000   23.400   9.0908  ?   ?    12.870   3.0398 0.000000 3.039830 
1 1 1    9   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   39   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   40    0 o   10.972   3.3396   17.800   7.5551   17.800   7.5551   17.800   7.5551   10.972   3.3396   10.972   3.3396 0.000000 0.000000 
1 1 1    9   40    1 o   47.288   2.9750  270.728   33.051  241.900   46.804  299.400   46.678   43.951   4.5769   49.232   4.0511 -5.280594 6.112235 
1 1 1    9   40    2 o   20.866   1.8450   52.229   8.9969   71.100   13.439   36.900   12.112   24.261   2.3763   17.234   3.0897 7.027277 3.897830 
1 1 1    9   40    3 o   23.218   2.0532   64.795   11.141   53.500   15.970   75.500   15.548   20.753   3.3748   24.931   2.6833 -4.177748 4.311587 
1 1 1    9   40    4 o   54.116   4.8199  368.000   60.948  368.000   60.948   0.0000   0.0000   54.116   4.8199  ?   ?  0.000000 4.819893 
1 1 1    9   40    5 o   5.2097   1.9243   2.5329   3.1300   1.5000   3.9834   4.2000   5.0604   5.2298   2.1040   6.6431   2.4481 -1.413293 3.228040 
1 1 1    9   40    6 o   63.623   3.7284  496.087   55.770  513.300   79.133  479.100   78.610   63.541   5.3231   61.234   5.4950 2.306492 7.650514 
1 1 1    9   40    7 o   43.256   2.7584  226.024   28.028  214.200   39.678  237.800   39.598   41.544   4.0981   43.909   3.8582 -2.365028 5.628520 
1 1 1    9   40    8 o   17.874   1.8839   38.472   7.8317   40.800   11.565   36.500   10.644   18.216   2.7764   17.226   2.7059 0.9894695 3.876869 
1 1 1    9   40    9 o   20.354   1.9116   49.801   9.0803   50.500   13.354   49.200   12.384   20.278   2.8689   20.060   2.6815 0.2188873 3.926957 
1 1 1    9   40   10 o   41.044   2.6735  203.475   25.770  194.500   36.598  212.300   36.292   39.597   3.9675   41.490   3.7447 -1.893135 5.455579 
1 1 1    9   40   11 o   48.357   2.8646  283.051   32.565  311.700   46.467  255.400   45.651   50.210   3.9511   45.218   4.3283 4.991997 5.860518 
1 1 1    9   40   12 o   37.170   2.7553  167.338   24.011   81.500   34.177  251.000   33.741   24.675   5.9377   45.392   3.1678 -20.71717 6.729846 
1 1 1    9   40   13 o   73.387   4.1442  668.220   71.522  732.300  101.532  605.100  100.768   75.177   5.7634   67.634   6.3850 7.542343 8.601433 
1 1 1    9   40   14 f   56.147   3.3125  385.013   43.724  416.000   62.024  354.400   61.649   57.499   4.6068   52.753   5.0090 4.745762 6.805362 
1 1 1    9   40   15 o   10.244   2.3303   13.077   5.5101  -4.2000   8.7341   24.500   7.1017   6.2329   2.8095   14.146   2.1974 -7.912661 3.566741 
1 1 1    9   40   16 o   35.748   2.4576  154.400   20.619  141.800   29.277  166.800   29.045   33.752   3.7361   36.800   3.3802 -3.047970 5.038224 
1 1 1    9   40   17 o   42.760   2.4944  221.029   25.077  265.600   35.866  178.400   35.077   46.500   3.2876   37.707   4.0006 8.793114 5.178135 
1 1 1    9   40   18 o   17.954   1.7312   38.804   7.2487   55.600   11.201   26.700   9.5082   21.399   2.2504   14.594   2.8613 6.804829 3.640248 
1 1 1    9   40   19 o   4.8193   1.7384   2.3200   2.5321   0.6000   4.3524   3.2000   3.1132   5.1230   2.1445   5.5016   1.9336 -0.3786168 2.887462 
1 1 1    9   40   20 o   7.8702   2.2527   7.6434   4.3989  -5.1000   7.4374   14.500   5.4555   5.4895   2.5198   10.788   2.2158 -5.298149 3.355423 
1 1 1    9   40   21 o   28.584   3.1116  101.400   20.663   0.0000   0.0000  101.400   20.663  ?   ?    28.584   3.1116 0.000000 3.111625 
1 1 1    9   40   22 o   13.693   2.5960   23.500   8.0866   0.0000   0.0000   23.500   8.0866  ?   ?    13.693   2.5960 0.000000 2.595959 
1 1 1    9   40   23 o   11.629   2.5926   17.100   6.9380   0.0000   0.0000   17.100   6.9380  ?   ?    11.629   2.5926 0.000000 2.592607 
1 1 1    9   40   24 o   14.689   2.6334   27.100   8.7985   0.0000   0.0000   27.100   8.7985  ?   ?    14.689   2.6334 0.000000 2.633371 
1 1 1    9   40   25 o   27.772   3.1105   96.800   20.048   0.0000   0.0000   96.800   20.048  ?   ?    27.772   3.1105 0.000000 3.110456 
1 1 1    9   40   26 o   10.871   2.5441   15.000   6.4149   0.0000   0.0000   15.000   6.4149  ?   ?    10.871   2.5441 0.000000 2.544090 
1 1 1    9   40   27 o   29.046   3.1608  106.400   21.329   0.0000   0.0000  106.400   21.329  ?   ?    29.046   3.1608 0.000000 3.160814 
1 1 1    9   40   28 o   17.550   2.7213   38.800   10.913   0.0000   0.0000   38.800   10.913  ?   ?    17.550   2.7213 0.000000 2.721339 
1 1 1    9   40   29 o   43.508   4.2772  252.400   43.375   0.0000   0.0000  252.400   43.375  ?   ?    43.508   4.2772 0.000000 4.277225 
1 1 1    9   40   30 o   42.104   4.2507  239.800   41.683   0.0000   0.0000  239.800   41.683  ?   ?    42.104   4.2507 0.000000 4.250730 
1 1 1    9   40   31 o   1.6884   0.8416  -3.5000   1.3468   0.0000   0.0000  -3.5000   1.3468  ?   ?    1.6884   0.8416 0.000000 0.8416312 
1 1 1    9   40   32 o   11.277   2.6127   16.700   6.8213   0.0000   0.0000   16.700   6.8213  ?   ?    11.277   2.6127 0.000000 2.612727 
1 1 1    9   40   33 o   2.6112   1.2504  -3.0000   2.1981   0.0000   0.0000  -3.0000   2.1981  ?   ?    2.6112   1.2504 0.000000 1.250387 
1 1 1    9   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   40   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   41    0 o   20.397   3.1705   53.100   14.172   53.100   14.172   53.100   14.172   20.397   3.1705   20.397   3.1705 0.000000 0.000000 
1 1 1    9   41    1 o   9.3118   2.4606   10.769   5.4919   19.400   8.3543   4.2000   7.2880   12.443   2.8975   7.4200   2.8895 5.022460 4.092003 
1 1 1    9   41    2 o   61.793   3.6818  468.108   53.480  487.300   75.715  449.000   75.549   61.917   5.2274   59.228   5.4634 2.688854 7.561413 
1 1 1    9   41    3 o   47.802   2.9851  277.017   33.526  305.100   47.483  249.100   47.342   49.622   4.0887   44.549   4.5649 5.073410 6.128256 
1 1 1    9   41    4 o   30.394   1.9733  110.626   14.086  161.600   20.568   65.600   19.330   36.650   2.3896   22.908   3.6996 13.74247 4.404291 
1 1 1    9   41    5 o   20.404   1.8928   50.028   9.0161   47.300   12.816   52.700   12.686   19.618   2.8500   20.781   2.6452 -1.162683 3.888405 
1 1 1    9   41    6 o   25.340   2.0252   77.103   12.017   72.400   17.001   81.800   16.989   24.299   3.0287   25.909   2.8225 -1.610029 4.139994 
1 1 1    9   41    7 o   38.832   2.5917  181.971   23.629  165.700   33.542  198.000   33.292   36.527   3.9517   40.145   3.5485 -3.617981 5.311105 
1 1 1    9   41    8 o   43.621   2.8329  230.433   29.023  214.200   41.280  246.300   40.813   41.391   4.2856   44.610   3.9139 -3.218937 5.803868 
1 1 1    9   41    9 o   41.479   2.5531  207.515   24.885  242.200   35.552  174.200   34.843   44.467   3.4119   37.409   4.0067 7.058041 5.262601 
1 1 1    9   41   10 o   42.880   2.6337  222.043   26.538  271.600   37.687  173.300   37.376   47.096   3.4119   37.140   4.3438 9.955811 5.523496 
1 1 1    9   41   11 f   48.841   2.9139  289.350   33.454  320.500   47.542  258.800   47.083   50.833   3.9928   45.385   4.4505 5.448326 5.979115 
1 1 1    9   41   12 o   27.372   2.0563   90.046   13.194   99.000   19.373   82.300   18.018   28.462   2.9241   25.901   3.0016 2.561142 4.190462 
1 1 1    9   41   13 o   41.027   2.6303  203.743   25.347  219.500   35.970  188.200   35.725   42.121   3.6526   38.830   3.9513 3.290974 5.380868 
1 1 1    9   41   14 o   33.021   2.3339  131.634   18.081  123.800   25.709  139.300   25.433   31.586   3.5061   33.639   3.2420 -2.053152 4.775308 
1 1 1    9   41   15 o   13.875   1.9445   23.454   6.1961   19.200   9.3378   26.800   8.2820   12.312   3.1871   14.726   2.4692 -2.414150 4.031677 
1 1 1    9   41   16 o   44.994   2.7467  246.292   29.043  267.400   41.484  226.000   40.673   46.259   3.8322   42.323   4.1221 3.936382 5.628268 
1 1 1    9   41   17 o   7.4351   1.9660   6.8585   3.5043   4.2000   5.3941   8.8000   4.6096   6.7338   2.5185   8.4097   2.2689 -1.675831 3.389782 
1 1 1    9   41   18 o   30.972   3.2375  119.100   23.328   0.0000   0.0000  119.100   23.328  ?   ?    30.972   3.2375 0.000000 3.237461 
1 1 1    9   41   19 o   22.768   2.8229   64.100   14.852   0.0000   0.0000   64.100   14.852  ?   ?    22.768   2.8229 0.000000 2.822932 
1 1 1    9   41   20 o   12.893   2.4763   20.800   7.2653   0.0000   0.0000   20.800   7.2653  ?   ?    12.893   2.4763 0.000000 2.476294 
1 1 1    9   41   21 o   15.589   2.5666   30.300   9.1193   0.0000   0.0000   30.300   9.1193  ?   ?    15.589   2.5666 0.000000 2.566592 
1 1 1    9   41   22 o   20.623   2.7310   52.900   12.972   0.0000   0.0000   52.900   12.972  ?   ?    20.623   2.7310 0.000000 2.730996 
1 1 1    9   41   23 o   12.709   2.5930   20.400   7.5179   0.0000   0.0000   20.400   7.5179  ?   ?    12.709   2.5930 0.000000 2.592960 
1 1 1    9   41   24 o   40.372   3.9249  209.900   36.944   0.0000   0.0000  209.900   36.944  ?   ?    40.372   3.9249 0.000000 3.924927 
1 1 1    9   41   25 o   54.700   5.2126  409.000   66.515   0.0000   0.0000  409.000   66.515  ?   ?    54.700   5.2126 0.000000 5.212630 
1 1 1    9   41   26 o   17.499   2.6488   38.400   10.603   0.0000   0.0000   38.400   10.603  ?   ?    17.499   2.6488 0.000000 2.648762 
1 1 1    9   41   27 o   4.0343   1.7139   0.1000   2.8472   0.0000   0.0000   0.1000   2.8472  ?   ?    4.0343   1.7139 0.000000 1.713938 
1 1 1    9   41   28 o   27.818   3.0991   98.600   20.012   0.0000   0.0000   98.600   20.012  ?   ?    27.818   3.0991 0.000000 3.099133 
1 1 1    9   41   29 o   16.292   2.6803   33.900   9.9529   0.0000   0.0000   33.900   9.9529  ?   ?    16.292   2.6803 0.000000 2.680311 
1 1 1    9   41   30 o   10.327   2.7463   14.000   6.8134   0.0000   0.0000   14.000   6.8134  ?   ?    10.327   2.7463 0.000000 2.746335 
1 1 1    9   41   31 o   22.910   3.1516   69.800   16.598   0.0000   0.0000   69.800   16.598  ?   ?    22.910   3.1516 0.000000 3.151639 
1 1 1    9   41   32 o   20.155   3.0853   54.800   14.217   0.0000   0.0000   54.800   14.217  ?   ?    20.155   3.0853 0.000000 3.085301 
1 1 1    9   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   41   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   42    0 o   25.627   3.2050   82.100   18.575   82.100   18.575   82.100   18.575   25.627   3.2050   25.627   3.2050 -0.000000 0.000000 
1 1 1    9   42    1 o   35.345   2.4385  150.546   20.228  142.800   28.508  158.400   28.706   34.015   3.6042   35.914   3.4265 -1.899456 4.972995 
1 1 1    9   42    2 o   59.749   3.5834  437.558   50.325  441.800   71.531  433.400   70.815   58.873   5.1988   58.308   5.1977 0.5645218 7.351415 
1 1 1    9   42    3 o   21.396   2.8198   56.100   13.899   56.100   13.899   0.0000   0.0000   21.396   2.8198  ?   ?  0.000000 2.819779 
1 1 1    9   42    4 o   35.110   2.4012  148.490   19.788  149.300   28.163  147.700   27.811   34.836   3.4697   34.658   3.4438 0.1785507 4.888640 
1 1 1    9   42    5 o   17.002   1.8218   34.827   7.2006   42.400   10.540   28.200   9.8600   18.644   2.4538   15.046   2.8801 3.597437 3.783675 
1 1 1    9   42    6 o   16.405   1.9032   32.517   7.2358   20.200   10.417   44.000   10.058   12.657   3.4091   19.035   2.2833 -6.377544 4.103085 
1 1 1    9   42    7 o   37.634   2.5828  171.203   22.814  155.000   32.523  186.900   32.012   35.243   3.9777   38.954   3.5181 -3.711010 5.310246 
1 1 1    9   42    8 o   24.021   2.1445   69.579   12.036   46.300   17.263   91.600   16.790   19.043   3.9676   27.458   2.6214 -8.414164 4.755400 
1 1 1    9   42    9 o   8.2819   2.2526   8.4927   4.5218   2.2000   7.7823   11.700   5.5559   7.0794   2.9063   9.6810   2.4332 -2.601606 3.790381 
1 1 1    9   42   10 o   35.179   2.3846  149.404   19.691  156.500   27.840  142.300   27.855   35.637   3.3476   33.888   3.5329 1.748806 4.867052 
1 1 1    9   42   11 o   5.7887   2.0278   3.5597   3.4225   0.5000   5.2642   5.8000   4.5045   5.5707   2.3466   7.0871   2.3279 -1.516480 3.305382 
1 1 1    9   42   12 o   17.632   2.0723   37.729   8.4633   24.000   12.574   49.100   11.444   13.705   3.7681   20.044   2.4700 -6.338472 4.505527 
1 1 1    9   42   13 o   18.812   2.0624   42.900   9.0116   26.300   13.150   57.600   12.374   14.304   3.8207   21.726   2.4550 -7.421766 4.541460 
1 1 1    9   42   14 o   36.644   2.4981  162.941   21.487  169.100   30.409  156.800   30.365   36.845   3.5387   35.390   3.6876 1.454643 5.110844 
1 1 1    9   42   15 o   27.839   3.0458   95.800   19.696   0.0000   0.0000   95.800   19.696  ?   ?    27.839   3.0458 0.000000 3.045839 
1 1 1    9   42   16 o   26.613   2.9933   87.600   18.485   0.0000   0.0000   87.600   18.485  ?   ?    26.613   2.9933 0.000000 2.993349 
1 1 1    9   42   17 o   17.655   2.6038   38.600   10.529   0.0000   0.0000   38.600   10.529  ?   ?    17.655   2.6038 0.000000 2.603819 
1 1 1    9   42   18 o   18.909   2.6967   44.400   11.700   0.0000   0.0000   44.400   11.700  ?   ?    18.909   2.6967 0.000000 2.696697 
1 1 1    9   42   19 o   37.736   3.7074  180.500   32.609   0.0000   0.0000  180.500   32.609  ?   ?    37.736   3.7074 0.000000 3.707410 
1 1 1    9   42   20 o   18.988   2.7001   44.900   11.766   0.0000   0.0000   44.900   11.766  ?   ?    18.988   2.7001 0.000000 2.700109 
1 1 1    9   42   21 o   28.768   3.1391  103.700   20.979   0.0000   0.0000  103.700   20.979  ?   ?    28.768   3.1391 0.000000 3.139141 
1 1 1    9   42   22 o   16.858   2.6253   35.500   10.110   0.0000   0.0000   35.500   10.110  ?   ?    16.858   2.6253 0.000000 2.625284 
1 1 1    9   42   23 o   19.115   2.6848   45.600   11.784   0.0000   0.0000   45.600   11.784  ?   ?    19.115   2.6848 0.000000 2.684828 
1 1 1    9   42   24 o   26.713   3.0314   89.700   18.783   0.0000   0.0000   89.700   18.783  ?   ?    26.713   3.0314 0.000000 3.031393 
1 1 1    9   42   25 o   24.930   3.0446   78.500   17.551   0.0000   0.0000   78.500   17.551  ?   ?    24.930   3.0446 0.000000 3.044605 
1 1 1    9   42   26 o   34.817   3.6362  157.300   29.455   0.0000   0.0000  157.300   29.455  ?   ?    34.817   3.6362 0.000000 3.636207 
1 1 1    9   42   27 o   32.630   3.5814  139.300   27.141   0.0000   0.0000  139.300   27.141  ?   ?    32.630   3.5814 0.000000 3.581419 
1 1 1    9   42   28 o   13.582   2.9125   24.200   9.0610   0.0000   0.0000   24.200   9.0610  ?   ?    13.582   2.9125 0.000000 2.912531 
1 1 1    9   42   29 o   11.181   2.9394   16.700   7.8631   0.0000   0.0000   16.700   7.8631  ?   ?    11.181   2.9394 0.000000 2.939366 
1 1 1    9   42   30 o   7.1844   2.4119   6.3000   4.8286   0.0000   0.0000   6.3000   4.8286  ?   ?    7.1844   2.4119 0.000000 2.411897 
1 1 1    9   42   31 o   10.449   2.6986   14.700   6.7050   0.0000   0.0000   14.700   6.7050  ?   ?    10.449   2.6986 0.000000 2.698559 
1 1 1    9   42   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   42   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   42   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   42   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   43    0 o   34.253   3.4920  145.300   27.572  145.300   27.572  145.300   27.572   34.253   3.4920   34.253   3.4920 0.000000 0.000000 
1 1 1    9   43    1 o   28.604   2.0997   98.429   14.083  114.600   20.121   82.900   19.717   30.661   2.8104   25.875   3.3023 4.786032 4.336330 
1 1 1    9   43    2 o   14.162   1.9036   24.363   6.2048   14.700   8.6926   34.400   8.8595   10.876   3.1823   16.783   2.2956 -5.907536 3.923899 
1 1 1    9   43    3 o   11.920   1.8466   17.342   5.0293   19.300   7.7237   15.900   6.6267   12.411   2.7113   11.273   2.5492 1.137938 3.721505 
1 1 1    9   43    4 o   23.085   1.8440   63.997   9.9681   86.100   14.746   45.400   13.527   26.667   2.3664   19.093   3.1071 7.573690 3.905600 
1 1 1    9   43    5 f   73.624   4.0346  675.554   69.875  780.300   99.369  573.100   98.275   77.476   5.4666   65.179   6.4708 12.29776 8.470778 
1 1 1    9   43    6 o   36.155   2.4935  158.198   21.158  138.000   30.033  178.100   29.812   33.168   3.9097   38.008   3.3562 -4.839050 5.152629 
1 1 1    9   43    7 o   29.724   2.2669  106.693   15.791   97.600   22.646  115.300   22.032   27.992   3.5027   30.624   3.0888 -2.632137 4.670061 
1 1 1    9   43    8 o   29.560   2.1947  105.422   15.210  104.500   21.773  106.300   21.257   29.076   3.2255   29.373   3.1122 -0.2965679 4.482118 
1 1 1    9   43    9 o   4.1182   1.7161   0.4275   2.7695 -10.2000   6.1783   3.1000   3.0983   4.1717   2.0221   5.4500   1.9276 -1.278264 2.793644 
1 1 1    9   43   10 o   38.238   2.5650  177.543   23.026  167.200   32.632  187.800   32.495   36.483   3.8458   38.833   3.5842 -2.350327 5.257055 
1 1 1    9   43   11 o   19.869   1.8708   47.624   8.6736   49.000   12.385   46.300   12.151   19.933   2.7008   19.357   2.7345 0.5761414 3.843370 
1 1 1    9   43   12 o   11.930   2.6389   17.900   7.2371   0.0000   0.0000   17.900   7.2371  ?   ?    11.930   2.6389 0.000000 2.638905 
1 1 1    9   43   13 o   43.775   4.1272  243.400   42.159   0.0000   0.0000  243.400   42.159  ?   ?    43.775   4.1272 0.000000 4.127202 
1 1 1    9   43   14 o   28.862   3.1692  103.600   21.243   0.0000   0.0000  103.600   21.243  ?   ?    28.862   3.1692 0.000000 3.169156 
1 1 1    9   43   15 o   8.1779   2.3197   8.3000   4.6866   0.0000   0.0000   8.3000   4.6866  ?   ?    8.1779   2.3197 0.000000 2.319749 
1 1 1    9   43   16 o   11.126   2.4939   15.600   6.3902   0.0000   0.0000   15.600   6.3902  ?   ?    11.126   2.4939 0.000000 2.493940 
1 1 1    9   43   17 o   35.189   3.5546  156.400   29.132   0.0000   0.0000  156.400   29.132  ?   ?    35.189   3.5546 0.000000 3.554646 
1 1 1    9   43   18 o   14.988   2.5797   28.100   8.8009   0.0000   0.0000   28.100   8.8009  ?   ?    14.988   2.5797 0.000000 2.579702 
1 1 1    9   43   19 o   26.253   3.0807   86.300   18.735   0.0000   0.0000   86.300   18.735  ?   ?    26.253   3.0807 0.000000 3.080650 
1 1 1    9   43   20 o   4.7010   2.1350  -2.9000   5.1572   0.0000   0.0000  -2.9000   5.1572  ?   ?    4.7010   2.1350 0.000000 2.134977 
1 1 1    9   43   21 o   41.847   4.0654  226.900   39.666   0.0000   0.0000  226.900   39.666  ?   ?    41.847   4.0654 0.000000 4.065423 
1 1 1    9   43   22 o   20.511   2.7905   52.700   13.165   0.0000   0.0000   52.700   13.165  ?   ?    20.511   2.7905 0.000000 2.790471 
1 1 1    9   43   23 o   25.814   3.1282   84.300   18.679   0.0000   0.0000   84.300   18.679  ?   ?    25.814   3.1282 0.000000 3.128173 
1 1 1    9   43   24 o   8.1862   2.8068   7.8000   6.5407   0.0000   0.0000   7.8000   6.5407  ?   ?    8.1862   2.8068 0.000000 2.806816 
1 1 1    9   43   25 o   18.371   2.8682   43.100   12.036   0.0000   0.0000   43.100   12.036  ?   ?    18.371   2.8682 0.000000 2.868231 
1 1 1    9   43   26 o   19.746   3.0507   50.600   13.766   0.0000   0.0000   50.600   13.766  ?   ?    19.746   3.0507 0.000000 3.050733 
1 1 1    9   43   27 o   27.677   3.2833  101.200   21.040   0.0000   0.0000  101.200   21.040  ?   ?    27.677   3.2833 0.000000 3.283317 
1 1 1    9   43   28 o   5.9979   2.3934   2.7000   5.1092   0.0000   0.0000   2.7000   5.1092  ?   ?    5.9979   2.3934 0.000000 2.393438 
1 1 1    9   43   29 o   14.590   2.9438   28.700   9.7923   0.0000   0.0000   28.700   9.7923  ?   ?    14.590   2.9438 0.000000 2.943808 
1 1 1    9   43   30 o   4.4914   2.0702  -3.3000   5.0914   0.0000   0.0000  -3.3000   5.0914  ?   ?    4.4914   2.0702 0.000000 2.070173 
1 1 1    9   43   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   43   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   43   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   44    0 f   52.798   4.7900  350.300   58.589  350.300   58.589  350.300   58.589   52.798   4.7900   52.798   4.7900 -0.000000 0.000000 
1 1 1    9   44    1 o   23.168   1.9366   64.662   10.498   82.100   15.088   48.300   14.615   25.969   2.4910   19.617   3.2701 6.351583 4.110803 
1 1 1    9   44    2 o   42.537   2.7578  220.365   27.552  218.000   38.683  222.800   39.252   41.630   3.9837   42.080   3.9983 -0.4498329 5.644099 
1 1 1    9   44    3 o   14.553   1.8540   25.710   6.2265   22.400   8.7531   29.100   8.8590   13.335   2.8651   15.332   2.5356 -1.996520 3.825954 
1 1 1    9   44    4 o   45.800   2.9237  256.372   31.455  242.200   44.598  270.400   44.370   43.600   4.3916   46.299   4.1008 -2.698910 6.008526 
1 1 1    9   44    5 o   29.909   2.1755  108.008   15.260  119.800   21.961   97.000   21.218   31.200   3.0186   27.943   3.2779 3.256359 4.456119 
1 1 1    9   44    6 o   20.190   1.9011   49.196   8.9570   53.100   13.351   46.000   12.079   20.733   2.7985   19.296   2.7268 1.437099 3.907322 
1 1 1    9   44    7 o   20.714   1.9766   51.860   9.5508   48.800   14.034   54.500   13.035   19.756   3.1111   21.042   2.6846 -1.285614 4.109245 
1 1 1    9   44    8 o   2.0931   1.0218  -3.1000   1.6563   0.0000   0.0000  -3.1000   1.6563  ?   ?    2.0931   1.0218 0.000000 1.021811 
1 1 1    9   44    9 o   66.236   6.1184  598.300   94.614   0.0000   0.0000  598.300   94.614  ?   ?    66.236   6.1184 0.000000 6.118395 
1 1 1    9   44   10 o   14.350   2.7972   25.900   9.1381   0.0000   0.0000   25.900   9.1381  ?   ?    14.350   2.7972 0.000000 2.797243 
1 1 1    9   44   11 o   35.205   3.6010  155.900   29.514   0.0000   0.0000  155.900   29.514  ?   ?    35.205   3.6010 0.000000 3.600972 
1 1 1    9   44   12 o   23.842   3.0567   70.900   16.813   0.0000   0.0000   70.900   16.813  ?   ?    23.842   3.0567 0.000000 3.056663 
1 1 1    9   44   13 o   27.106   3.0696   91.500   19.302   0.0000   0.0000   91.500   19.302  ?   ?    27.106   3.0696 0.000000 3.069641 
1 1 1    9   44   14 o   4.0475   1.8859  -4.0000   4.4026   0.0000   0.0000  -4.0000   4.4026  ?   ?    4.0475   1.8859 0.000000 1.885898 
1 1 1    9   44   15 o   26.643   3.0563   88.600   18.880   0.0000   0.0000   88.600   18.880  ?   ?    26.643   3.0563 0.000000 3.056260 
1 1 1    9   44   16 o   49.266   4.6803  319.700   53.795   0.0000   0.0000  319.700   53.795  ?   ?    49.266   4.6803 0.000000 4.680346 
1 1 1    9   44   17 o   12.593   2.7054   20.100   7.8053   0.0000   0.0000   20.100   7.8053  ?   ?    12.593   2.7054 0.000000 2.705393 
1 1 1    9   44   18 o   34.737   3.5969  153.300   29.077   0.0000   0.0000  153.300   29.077  ?   ?    34.737   3.5969 0.000000 3.596925 
1 1 1    9   44   19 o   40.094   3.9673  207.600   37.068   0.0000   0.0000  207.600   37.068  ?   ?    40.094   3.9673 0.000000 3.967332 
1 1 1    9   44   20 o   38.337   3.8333  189.500   34.236   0.0000   0.0000  189.500   34.236  ?   ?    38.337   3.8333 0.000000 3.833271 
1 1 1    9   44   21 o   12.044   2.9510   18.700   8.3269   0.0000   0.0000   18.700   8.3269  ?   ?    12.044   2.9510 0.000000 2.950957 
1 1 1    9   44   22 o   37.439   3.8782  183.400   33.788   0.0000   0.0000  183.400   33.788  ?   ?    37.439   3.8782 0.000000 3.878195 
1 1 1    9   44   23 o   32.359   3.4762  135.800   26.146   0.0000   0.0000  135.800   26.146  ?   ?    32.359   3.4762 0.000000 3.476241 
1 1 1    9   44   24 o   10.482   2.7506   14.300   6.8938   0.0000   0.0000   14.300   6.8938  ?   ?    10.482   2.7506 0.000000 2.750646 
1 1 1    9   44   25 o   8.1689   2.7220   8.2000   6.1508   0.0000   0.0000   8.2000   6.1508  ?   ?    8.1689   2.7220 0.000000 2.722041 
1 1 1    9   44   26 f   29.162   3.4178  114.200   23.089   0.0000   0.0000  114.200   23.089  ?   ?    29.162   3.4178 0.000000 3.417762 
1 1 1    9   44   27 o   27.106   3.2617   99.100   20.458   0.0000   0.0000   99.100   20.458  ?   ?    27.106   3.2617 0.000000 3.261748 
1 1 1    9   44   28 o   13.611   2.7712   24.800   8.6042   0.0000   0.0000   24.800   8.6042  ?   ?    13.611   2.7712 0.000000 2.771173 
1 1 1    9   44   29 o   11.576   2.8285   18.300   7.6659   0.0000   0.0000   18.300   7.6659  ?   ?    11.576   2.8285 0.000000 2.828466 
1 1 1    9   44   30 o   9.2092   2.9994   11.500   7.4838   0.0000   0.0000   11.500   7.4838  ?   ?    9.2092   2.9994 0.000000 2.999397 
1 1 1    9   44   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   44   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   45    0 o   4.4875   2.8986   0.0000   7.1738   0.0000   7.1738   0.0000   7.1738   4.4875   2.8986   4.4875   2.8986 0.000000 0.000000 
1 1 1    9   45    1 o   27.325   2.2166   90.501   14.179   92.100   20.043   88.900   20.061   27.204   3.1801   26.692   3.2499 0.5123005 4.546981 
1 1 1    9   45    2 o   4.5690   2.0006  -0.8815   4.1164   1.9000   6.9270  -2.4000   5.1182   6.6462   2.7368   4.7936   2.1566 1.852593 3.484384 
1 1 1    9   45    3 o   15.340   2.7013   29.400   9.4276   0.0000   0.0000   29.400   9.4276  ?   ?    15.340   2.7013 0.000000 2.701283 
1 1 1    9   45    4 o   46.256   4.3920  275.100   47.397   0.0000   0.0000  275.100   47.397  ?   ?    46.256   4.3920 0.000000 4.391974 
1 1 1    9   45    5 o   14.667   2.7519   27.000   9.1809   0.0000   0.0000   27.000   9.1809  ?   ?    14.667   2.7519 0.000000 2.751887 
1 1 1    9   45    6 o   19.904   3.0880   49.700   14.043   0.0000   0.0000   49.700   14.043  ?   ?    19.904   3.0880 0.000000 3.087988 
1 1 1    9   45    7 o   22.185   2.9710   61.300   15.173   0.0000   0.0000   61.300   15.173  ?   ?    22.185   2.9710 0.000000 2.971032 
1 1 1    9   45    8 o   34.073   3.5098  145.900   27.836   0.0000   0.0000  145.900   27.836  ?   ?    34.073   3.5098 0.000000 3.509806 
1 1 1    9   45    9 f   35.908   3.6365  162.800   30.409   0.0000   0.0000  162.800   30.409  ?   ?    35.908   3.6365 0.000000 3.636525 
1 1 1    9   45   10 o   9.4813   2.9121   11.100   7.1479   0.0000   0.0000   11.100   7.1479  ?   ?    9.4813   2.9121 0.000000 2.912148 
1 1 1    9   45   11 o   13.103   2.6032   21.600   7.7708   0.0000   0.0000   21.600   7.7708  ?   ?    13.103   2.6032 0.000000 2.603175 
1 1 1    9   45   12 o   14.389   2.8461   26.200   9.3279   0.0000   0.0000   26.200   9.3279  ?   ?    14.389   2.8461 0.000000 2.846050 
1 1 1    9   45   13 f   22.056   2.9071   60.700   14.772   0.0000   0.0000   60.700   14.772  ?   ?    22.056   2.9071 0.000000 2.907052 
1 1 1    9   45   14 o   10.574   2.8413   14.200   7.2462   0.0000   0.0000   14.200   7.2462  ?   ?    10.574   2.8413 0.000000 2.841294 
1 1 1    9   45   15 o   16.066   2.8766   32.600   10.512   0.0000   0.0000   32.600   10.512  ?   ?    16.066   2.8766 0.000000 2.876594 
1 1 1    9   45   16 o   22.513   2.9022   63.400   15.069   0.0000   0.0000   63.400   15.069  ?   ?    22.513   2.9022 0.000000 2.902211 
1 1 1    9   45   17 o   10.518   2.7437   14.100   6.8859   0.0000   0.0000   14.100   6.8859  ?   ?    10.518   2.7437 0.000000 2.743730 
1 1 1    9   45   18 o   5.1981   2.2243   0.0000   4.8582   0.0000   0.0000   0.0000   4.8582  ?   ?    5.1981   2.2243 0.000000 2.224283 
1 1 1    9   45   19 o   53.457   5.2381  397.000   65.271   0.0000   0.0000  397.000   65.271  ?   ?    53.457   5.2381 0.000000 5.238100 
1 1 1    9   45   20 o   22.705   2.9730   65.400   15.557   0.0000   0.0000   65.400   15.557  ?   ?    22.705   2.9730 0.000000 2.972960 
1 1 1    9   45   21 f   17.601   3.1778   40.300   12.722   0.0000   0.0000   40.300   12.722  ?   ?    17.601   3.1778 0.000000 3.177813 
1 1 1    9   45   22 o   23.300   3.0578   70.100   16.418   0.0000   0.0000   70.100   16.418  ?   ?    23.300   3.0578 0.000000 3.057806 
1 1 1    9   45   23 o   7.3583   2.4693   6.5000   5.0611   0.0000   0.0000   6.5000   5.0611  ?   ?    7.3583   2.4693 0.000000 2.469290 
1 1 1    9   45   24 o   8.5833   2.5761   9.5000   5.6383   0.0000   0.0000   9.5000   5.6383  ?   ?    8.5833   2.5761 0.000000 2.576064 
1 1 1    9   45   25 o   17.966   2.7529   42.300   11.307   0.0000   0.0000   42.300   11.307  ?   ?    17.966   2.7529 0.000000 2.752927 
1 1 1    9   45   26 o   35.077   4.0281  177.100   32.759   0.0000   0.0000  177.100   32.759  ?   ?    35.077   4.0281 0.000000 4.028127 
1 1 1    9   45   27 o   27.027   3.4606  101.800   21.579   0.0000   0.0000  101.800   21.579  ?   ?    27.027   3.4606 0.000000 3.460624 
1 1 1    9   45   28 o   8.2769   2.6221   9.0000   5.7474   0.0000   0.0000   9.0000   5.7474  ?   ?    8.2769   2.6221 0.000000 2.622065 
1 1 1    9   45   29 o   3.3019   1.5713  -4.0000   3.3578   0.0000   0.0000  -4.0000   3.3578  ?   ?    3.3019   1.5713 0.000000 1.571283 
1 1 1    9   45   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   46    5 o   15.183   2.9618   29.200   10.238   0.0000   0.0000   29.200   10.238  ?   ?    15.183   2.9618 0.000000 2.961837 
1 1 1    9   46    6 o   20.558   2.8172   52.600   13.316   0.0000   0.0000   52.600   13.316  ?   ?    20.558   2.8172 0.000000 2.817177 
1 1 1    9   46    7 o   18.783   2.7191   43.900   11.709   0.0000   0.0000   43.900   11.709  ?   ?    18.783   2.7191 0.000000 2.719139 
1 1 1    9   46    8 o   21.205   2.8981   56.100   14.132   0.0000   0.0000   56.100   14.132  ?   ?    21.205   2.8981 0.000000 2.898138 
1 1 1    9   46    9 o   25.062   3.0719   78.500   17.799   0.0000   0.0000   78.500   17.799  ?   ?    25.062   3.0719 0.000000 3.071870 
1 1 1    9   46   10 o   37.757   3.7942  181.500   33.371   0.0000   0.0000  181.500   33.371  ?   ?    37.757   3.7942 0.000000 3.794249 
1 1 1    9   46   11 o   13.099   3.0687   22.000   9.3257   0.0000   0.0000   22.000   9.3257  ?   ?    13.099   3.0687 0.000000 3.068734 
1 1 1    9   46   12 o   7.7198   2.4953   7.1000   5.1850   0.0000   0.0000   7.1000   5.1850  ?   ?    7.7198   2.4953 0.000000 2.495251 
1 1 1    9   46   13 o   4.4879   2.0266  -2.3000   4.5683   0.0000   0.0000  -2.3000   4.5683  ?   ?    4.4879   2.0266 0.000000 2.026567 
1 1 1    9   46   14 o   16.492   2.7362   34.200   10.282   0.0000   0.0000   34.200   10.282  ?   ?    16.492   2.7362 0.000000 2.736156 
1 1 1    9   46   15 o   26.561   3.1541   89.000   19.396   0.0000   0.0000   89.000   19.396  ?   ?    26.561   3.1541 0.000000 3.154126 
1 1 1    9   46   16 o   18.438   2.7684   42.800   11.681   0.0000   0.0000   42.800   11.681  ?   ?    18.438   2.7684 0.000000 2.768413 
1 1 1    9   46   17 o   24.531   3.0470   76.300   17.270   0.0000   0.0000   76.300   17.270  ?   ?    24.531   3.0470 0.000000 3.046990 
1 1 1    9   46   18 o   8.6043   2.5797   9.3000   5.6565   0.0000   0.0000   9.3000   5.6565  ?   ?    8.6043   2.5797 0.000000 2.579746 
1 1 1    9   46   19 o   19.295   3.0530   48.100   13.447   0.0000   0.0000   48.100   13.447  ?   ?    19.295   3.0530 0.000000 3.053029 
1 1 1    9   46   20 o   28.745   3.3631  108.400   22.396   0.0000   0.0000  108.400   22.396  ?   ?    28.745   3.3631 0.000000 3.363077 
1 1 1    9   46   21 o   14.582   2.7578   27.700   9.1483   0.0000   0.0000   27.700   9.1483  ?   ?    14.582   2.7578 0.000000 2.757752 
1 1 1    9   46   22 o   25.181   3.1407   83.900   18.269   0.0000   0.0000   83.900   18.269  ?   ?    25.181   3.1407 0.000000 3.140738 
1 1 1    9   46   23 o   19.788   2.9653   51.900   13.429   0.0000   0.0000   51.900   13.429  ?   ?    19.788   2.9653 0.000000 2.965302 
1 1 1    9   46   24 o   19.190   2.9279   49.000   12.847   0.0000   0.0000   49.000   12.847  ?   ?    19.190   2.9279 0.000000 2.927904 
1 1 1    9   46   25 o   17.338   3.1570   41.200   12.449   0.0000   0.0000   41.200   12.449  ?   ?    17.338   3.1570 0.000000 3.157038 
1 1 1    9   46   26 f   9.4162   3.0101   12.000   7.5612   0.0000   0.0000   12.000   7.5612  ?   ?    9.4162   3.0101 0.000000 3.010085 
1 1 1    9   46   27 o   5.6624   2.4367   0.5000   5.8900   0.0000   0.0000   0.5000   5.8900  ?   ?    5.6624   2.4367 0.000000 2.436686 
1 1 1    9   46   28 o   8.8796   2.8713   10.600   6.8650   0.0000   0.0000   10.600   6.8650  ?   ?    8.8796   2.8713 0.000000 2.871294 
1 1 1    9   46   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   47   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   48   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   49   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   50   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   51   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   52   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1    9   53    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    0 o   69.183   5.6606  576.600   91.050  576.600   91.050  576.600   91.050   69.183   5.6606   69.183   5.6606 -0.000000 0.000000 
1 1 1   10    0    1 o  108.064   5.7433  1391.60  145.611  1391.60  145.611  1391.60  145.611  108.064   5.7433  108.064   5.7433 -0.000000 0.000000 
1 1 1   10    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    3 o   72.434   3.9958  625.363   67.870  625.363   67.870  625.363   67.870   72.434   3.9958   72.434   3.9958 -0.000000 0.000000 
1 1 1   10    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    0    5 o   55.163   3.2233  363.040   41.658  363.040   41.658  363.040   41.658   55.163   3.2233   55.163   3.2233 -0.000000 0.000000 
1 1 1   10    0    6 o  325.978   17.589 12767.80  1344.91 12767.80  1344.91 12767.80  1344.91  325.978   17.589  325.978   17.589 -0.000000 0.000000 
1 1 1   10    0    7 o  152.285   8.2252  2767.67  293.806  2767.67  293.806  2767.67  293.806  152.285   8.2252  152.285   8.2252 -0.000000 0.000000 
1 1 1   10    0    8 o  363.759   28.447 16321.80  2409.11 16321.80  2409.11 16321.80  2409.11  363.759   28.447  363.759   28.447 0.000000 0.000000 
1 1 1   10    0    9 o  127.984   6.8370  1953.74  205.279  1953.74  205.279  1953.74  205.279  127.984   6.8370  127.984   6.8370 -0.000000 0.000000 
1 1 1   10    0   10 o  235.212   12.701  6630.88  700.750  6630.88  700.750  6630.88  700.750  235.212   12.701  235.212   12.701 -0.000000 0.000000 
1 1 1   10    0   11 o  220.460   11.566  5819.01  598.311  5819.01  598.311  5819.01  598.311  220.460   11.566  220.460   11.566 -0.000000 0.000000 
1 1 1   10    0   12 o  165.795   9.0016  3286.62  350.039  3286.62  350.039  3286.62  350.039  165.795   9.0016  165.795   9.0016 -0.000000 0.000000 
1 1 1   10    0   13 o   28.516   3.0928   99.400   20.205   99.400   20.205   99.400   20.205   28.516   3.0928   28.516   3.0928 -0.000000 0.000000 
1 1 1   10    0   14 o  184.817   9.9992  4091.85  433.469  4091.85  433.469  4091.85  433.469  184.817   9.9992  184.817   9.9992 -0.000000 0.000000 
1 1 1   10    0   15 o  339.079   27.046 14456.40  2133.88 14456.40  2133.88 14456.40  2133.88  339.079   27.046  339.079   27.046 0.000000 0.000000 
1 1 1   10    0   16 o  109.176   5.9751  1423.32  152.985  1423.32  152.985  1423.32  152.985  109.176   5.9751  109.176   5.9751 0.000000 0.000000 
1 1 1   10    0   17 o  176.070   9.5158  3716.29  392.993  3716.29  392.993  3716.29  392.993  176.070   9.5158  176.070   9.5158 0.000000 0.000000 
1 1 1   10    0   18 o  160.525   8.6292  3086.43  324.935  3086.43  324.935  3086.43  324.935  160.525   8.6292  160.525   8.6292 0.000000 0.000000 
1 1 1   10    0   19 f  191.631   14.987  4494.10  668.644  4494.10  668.644  4494.10  668.644  191.631   14.987  191.631   14.987 0.000000 0.000000 
1 1 1   10    0   20 o   39.460   3.6797  188.800   33.601  188.800   33.601  188.800   33.601   39.460   3.6797   39.460   3.6797 0.000000 0.000000 
1 1 1   10    0   21 o  128.933   10.103  2016.30  303.246  2016.30  303.246  2016.30  303.246  128.933   10.103  128.933   10.103 0.000000 0.000000 
1 1 1   10    0   22 f   80.368   6.4746  780.300  121.039  780.300  121.039  780.300  121.039   80.368   6.4746   80.368   6.4746 0.000000 0.000000 
1 1 1   10    0   23 o   5.3778   2.5245   5.0000   3.5978   5.0000   3.5978   5.0000   3.5978   5.3778   2.5245   5.3778   2.5245 -0.000000 0.000000 
1 1 1   10    0   24 o  114.394   9.0181  1587.10  240.119  1587.10  240.119  1587.10  240.119  114.394   9.0181  114.394   9.0181 -0.000000 0.000000 
1 1 1   10    0   25 o   5.3236   2.4986   4.9000   3.5240   4.9000   3.5240   4.9000   3.5240   5.3236   2.4986   5.3236   2.4986 -0.000000 0.000000 
1 1 1   10    0   26 o  124.495   9.8101  1888.10  284.277  1888.10  284.277  1888.10  284.277  124.495   9.8101  124.495   9.8101 -0.000000 0.000000 
1 1 1   10    0   27 o  140.079   11.063  2406.20  360.681  2406.20  360.681  2406.20  360.681  140.079   11.063  140.079   11.063 -0.000000 0.000000 
1 1 1   10    0   28 o   19.845   2.8711   49.400   12.636   49.400   12.636   49.400   12.636   19.845   2.8711   19.845   2.8711 -0.000000 0.000000 
1 1 1   10    0   29 o  143.868   11.491  2568.00  384.636  2568.00  384.636  2568.00  384.636  143.868   11.491  143.868   11.491 -0.000000 0.000000 
1 1 1   10    0   30 o   70.034   5.7774  596.500   94.048  596.500   94.048  596.500   94.048   70.034   5.7774   70.034   5.7774 -0.000000 0.000000 
1 1 1   10    0   31 o   15.844   2.7765   32.300   9.4335   32.300   9.4335   32.300   9.4335   15.844   2.7765   15.844   2.7765 -0.000000 0.000000 
1 1 1   10    0   32 o  125.208   10.189  1966.90  296.651  1966.90  296.651  1966.90  296.651  125.208   10.189  125.208   10.189 0.000000 0.000000 
1 1 1   10    0   33 o  110.807   9.0370  1536.20  232.839  1536.20  232.839  1536.20  232.839  110.807   9.0370  110.807   9.0370 -0.000000 0.000000 
1 1 1   10    0   34 o   55.199   4.7591  372.100   60.972  372.100   60.972  372.100   60.972   55.199   4.7591   55.199   4.7591 0.000000 0.000000 
1 1 1   10    0   35 o   85.168   7.0038  899.000  138.665  899.000  138.665  899.000  138.665   85.168   7.0038   85.168   7.0038 0.000000 0.000000 
1 1 1   10    0   36 o   4.3707   2.3641   3.2000   3.4093   3.2000   3.4093   3.2000   3.4093   4.3707   2.3641   4.3707   2.3641 0.000000 0.000000 
1 1 1   10    0   37 o   25.550   2.9464   80.600   17.162   80.600   17.162   80.600   17.162   25.550   2.9464   25.550   2.9464 0.000000 0.000000 
1 1 1   10    0   38 o   29.255   3.1481  105.400   21.111  105.400   21.111  105.400   21.111   29.255   3.1481   29.255   3.1481 0.000000 0.000000 
1 1 1   10    0   39 o   58.570   5.0647  425.500   68.842  425.500   68.842  425.500   68.842   58.570   5.0647   58.570   5.0647 0.000000 0.000000 
1 1 1   10    0   40 o   13.561   2.9218   24.700   8.2094   24.700   8.2094   24.700   8.2094   13.561   2.9218   13.561   2.9218 0.000000 0.000000 
1 1 1   10    0   41 o   49.764   4.4681  308.400   51.532  308.400   51.532  308.400   51.532   49.764   4.4681   49.764   4.4681 -0.000000 0.000000 
1 1 1   10    0   42 o   22.668   2.8882   64.400   14.775   64.400   14.775   64.400   14.775   22.668   2.8882   22.668   2.8882 -0.000000 0.000000 
1 1 1   10    0   43 o   21.800   2.9976   60.100   14.601   60.100   14.601   60.100   14.601   21.800   2.9976   21.800   2.9976 0.000000 0.000000 
1 1 1   10    0   44 o   32.455   3.4055  131.300   25.442  131.300   25.442  131.300   25.442   32.455   3.4055   32.455   3.4055 -0.000000 0.000000 
1 1 1   10    0   45 o   14.112   3.2250   27.300   9.3627   27.300   9.3627   27.300   9.3627   14.112   3.2250   14.112   3.2250 0.000000 0.000000 
1 1 1   10    0   46 o   4.1038   2.3087   2.7000   3.3970   2.7000   3.3970   2.7000   3.3970   4.1038   2.3087   4.1038   2.3087 0.000000 0.000000 
1 1 1   10    0   47 o   23.081   3.1660   68.100   16.333   68.100   16.333   68.100   16.333   23.081   3.1660   23.081   3.1660 0.000000 0.000000 
1 1 1   10    0   48 o   6.5789   3.3868   7.8000   6.7234   7.8000   6.7234   7.8000   6.7234   6.5789   3.3868   6.5789   3.3868 -0.000000 0.000000 
1 1 1   10    0   49 o   38.102   3.8366  186.400   33.717  186.400   33.717  186.400   33.717   38.102   3.8366   38.102   3.8366 -0.000000 0.000000 
1 1 1   10    0   50 o   5.7024   3.1605   5.6000   6.2526   5.6000   6.2526   5.6000   6.2526   5.7024   3.1605   5.7024   3.1605 -0.000000 0.000000 
1 1 1   10    0   51 o   13.364   3.4173   25.700   9.3224   25.700   9.3224   25.700   9.3224   13.364   3.4173   13.364   3.4173 0.000000 0.000000 
1 1 1   10    0   52 o   27.546   3.2497   98.400   20.366   98.400   20.366   98.400   20.366   27.546   3.2497   27.546   3.2497 0.000000 0.000000 
1 1 1   10    0   53 o   5.9723   2.9487   6.6000   4.9867   6.6000   4.9867   6.6000   4.9867   5.9723   2.9487   5.9723   2.9487 -0.000000 0.000000 
1 1 1   10    0   54 o   5.6204   3.1089   5.9000   6.0366   5.9000   6.0366   5.9000   6.0366   5.6204   3.1089   5.6204   3.1089 -0.000000 0.000000 
1 1 1   10    0   55 o   10.024   3.5091   17.000   7.5226   17.000   7.5226   17.000   7.5226   10.024   3.5091   10.024   3.5091 -0.000000 0.000000 
1 1 1   10    0   56 o   3.7646   2.2901   1.9000   3.8110   1.9000   3.8110   1.9000   3.8110   3.7646   2.2901   3.7646   2.2901 -0.000000 0.000000 
1 1 1   10    0   57 o   3.0188   1.9803  -0.2000   3.5359  -0.2000   3.5359  -0.2000   3.5359   3.0188   1.9803   3.0188   1.9803 -0.000000 0.000000 
1 1 1   10    1    0 o   68.373   5.5933  563.400   88.915  563.400   88.915  563.400   88.915   68.373   5.5933   68.373   5.5933 -0.000000 0.000000 
1 1 1   10    1    1 o  337.718   17.760 13724.23  1411.33 12994.80  1994.67 14455.50  1997.18  325.019   26.213  343.618   24.780 -18.59848 36.07149 
1 1 1   10    1    2 f   85.701   4.7033  870.797   94.818  888.300  134.104  853.300  134.083   86.387   6.6245   84.642   6.7651 1.744652 9.468363 
1 1 1   10    1    3 o  255.459   13.067  7795.35  785.602  6903.70  1110.36  8689.10  1111.66  238.516   19.896  268.503   17.631 -29.98752 26.58401 
1 1 1   10    1    4 o  216.559   11.508  5592.71  586.358  5656.30  829.161  5529.10  829.310  216.712   16.323  214.195   16.524 2.516586 23.22658 
1 1 1   10    1    5 o  208.440   11.009  5178.95  539.958  5018.00  763.378  5340.10  763.853  204.095   15.967  210.709   15.460 -6.613876 22.22493 
1 1 1   10    1    6 o  160.793   8.5740  3074.41  324.370  3145.40  458.701  3003.40  458.754  162.087   12.071  158.310   12.370 3.777084 17.28372 
1 1 1   10    1    7 o  181.833   9.6720  3937.55  413.799  3930.60  585.106  3944.50  585.294  180.872   13.804  181.198   13.782 -0.3262024 19.50628 
1 1 1   10    1    8 o  112.839   6.0881  1511.45  161.618  1582.70  228.559  1440.20  228.565  115.194   8.4617  109.796   8.8921 5.398056 12.27475 
1 1 1   10    1    9 o  460.010   38.207 27814.00  4112.62 27814.00  4112.62   0.0000   0.0000  460.010   38.207  ?   ?  0.000000 38.20651 
1 1 1   10    1   10 o  119.850   6.4871  1706.64  182.907  1772.10  258.584  1641.10  258.754  121.779   9.0571  117.104   9.4375 4.674614 13.08039 
1 1 1   10    1   11 o  385.437   31.267 19146.80  2821.27 19146.80  2821.27   0.0000   0.0000  385.437   31.267  ?   ?  0.000000 31.26716 
1 1 1   10    1   12 o  215.681   11.462  5577.52  581.642  5813.90  822.879  5341.50  822.254  218.639   16.051  209.235   16.783 9.404114 23.22290 
1 1 1   10    1   13 o  125.630   9.6812  1893.10  284.987  1893.10  284.987   0.0000   0.0000  125.630   9.6812  ?   ?  0.000000 9.681232 
1 1 1   10    1   14 f  318.884   17.794 12493.25  1334.52 13042.70  1884.66 11940.70  1889.96  319.742   25.165  304.610   26.540 15.13199 36.57402 
1 1 1   10    1   15 o  127.060   6.8573  1923.22  204.981  1958.40  289.796  1888.00  289.977  127.662   9.6854  125.288   9.8817 2.373642 13.83671 
1 1 1   10    1   16 o  104.894   5.7232  1308.78  141.223  1386.20  199.680  1231.30  199.760  107.606   7.9139  101.285   8.4287 6.320992 11.56175 
1 1 1   10    1   17 o  215.875   11.663  5628.34  592.336  6172.80  837.621  5083.70  837.760  223.973   15.942  202.185   17.726 21.78806 23.84018 
1 1 1   10    1   18 o   87.367   4.8964  907.459  100.608  949.300  142.096  865.400  142.467   89.086   6.8063   84.973   7.1671 4.113297 9.883988 
1 1 1   10    1   19 o  193.831   10.765  4535.10  490.764  4996.90  693.481  4071.80  694.610  201.645   14.665  181.014   16.429 20.63132 22.02219 
1 1 1   10    1   20 o   91.214   7.1510  997.000  152.790  997.000  152.790   0.0000   0.0000   91.214   7.1510  ?   ?  0.000000 7.150961 
1 1 1   10    1   21 f  189.947   14.859  4454.00  661.179  4454.00  661.179   0.0000   0.0000  189.947   14.859  ?   ?  0.000000 14.85934 
1 1 1   10    1   22 o   41.278   3.6941  203.300   35.627  203.300   35.627   0.0000   0.0000   41.278   3.6941  ?   ?  0.000000 3.694104 
1 1 1   10    1   23 o   45.760   3.9820  249.900   42.599  249.900   42.599   0.0000   0.0000   45.760   3.9820  ?   ?  0.000000 3.982046 
1 1 1   10    1   24 o   86.240   6.8004  892.400  137.362  892.400  137.362   0.0000   0.0000   86.240   6.8004  ?   ?  0.000000 6.800370 
1 1 1   10    1   25 o   89.122   7.0242  955.000  146.626  955.000  146.626   0.0000   0.0000   89.122   7.0242  ?   ?  0.000000 7.024182 
1 1 1   10    1   26 o   70.797   5.6994  601.000   94.473  601.000   94.473   0.0000   0.0000   70.797   5.6994  ?   ?  0.000000 5.699373 
1 1 1   10    1   27 o  114.370   8.9894  1595.50  240.821  1595.50  240.821   0.0000   0.0000  114.370   8.9894  ?   ?  0.000000 8.989441 
1 1 1   10    1   28 o  274.646   26.453 11481.10  1694.36 11481.10  1694.36   0.0000   0.0000  274.646   26.453  ?   ?  0.000000 26.45306 
1 1 1   10    1   29 o   52.507   4.4484  331.000   54.636  331.000   54.636   0.0000   0.0000   52.507   4.4484  ?   ?  0.000000 4.448390 
1 1 1   10    1   30 f  114.326   9.1946  1631.10  246.124  1631.10  246.124   0.0000   0.0000  114.326   9.1946  ?   ?  0.000000 9.194640 
1 1 1   10    1   31 o   36.895   3.4533  163.500   29.736  163.500   29.736   0.0000   0.0000   36.895   3.4533  ?   ?  0.000000 3.453258 
1 1 1   10    1   32 o   33.781   3.2685  137.200   25.747  137.200   25.747   0.0000   0.0000   33.781   3.2685  ?   ?  0.000000 3.268472 
1 1 1   10    1   33 o   86.840   7.1194  941.100  144.708  941.100  144.708   0.0000   0.0000   86.840   7.1194  ?   ?  0.000000 7.119419 
1 1 1   10    1   34 o   33.686   3.2686  136.800   25.673  136.800   25.673   0.0000   0.0000   33.686   3.2686  ?   ?  0.000000 3.268615 
1 1 1   10    1   35 o   49.679   4.3100  300.200   50.060  300.200   50.060   0.0000   0.0000   49.679   4.3100  ?   ?  0.000000 4.310036 
1 1 1   10    1   36 o   74.498   6.2075  694.100  108.205  694.100  108.205   0.0000   0.0000   74.498   6.2075  ?   ?  0.000000 6.207472 
1 1 1   10    1   37 o   56.452   4.8361  392.800   63.845  392.800   63.845   0.0000   0.0000   56.452   4.8361  ?   ?  0.000000 4.836128 
1 1 1   10    1   38 o   76.441   6.5100  748.800  116.390  748.800  116.390   0.0000   0.0000   76.441   6.5100  ?   ?  0.000000 6.509997 
1 1 1   10    1   39 o   30.783   3.1373  115.500   22.486  115.500   22.486   0.0000   0.0000   30.783   3.1373  ?   ?  0.000000 3.137296 
1 1 1   10    1   40 o   43.296   3.9671  232.700   40.108  232.700   40.108   0.0000   0.0000   43.296   3.9671  ?   ?  0.000000 3.967139 
1 1 1   10    1   41 o   33.808   3.3497  141.000   26.390  141.000   26.390   0.0000   0.0000   33.808   3.3497  ?   ?  0.000000 3.349684 
1 1 1   10    1   42 o   47.699   4.3587  289.000   48.551  289.000   48.551   0.0000   0.0000   47.699   4.3587  ?   ?  0.000000 4.358668 
1 1 1   10    1   43 o   25.038   2.8724   77.300   16.675   77.300   16.675   0.0000   0.0000   25.038   2.8724  ?   ?  0.000000 2.872376 
1 1 1   10    1   44 o   19.090   2.6114   45.000   11.463   45.000   11.463   0.0000   0.0000   19.090   2.6114  ?   ?  0.000000 2.611393 
1 1 1   10    1   45 o   45.407   4.2745  265.100   45.292  265.100   45.292   0.0000   0.0000   45.407   4.2745  ?   ?  0.000000 4.274475 
1 1 1   10    1   46 o   27.011   3.0085   91.200   18.863   91.200   18.863   0.0000   0.0000   27.011   3.0085  ?   ?  0.000000 3.008484 
1 1 1   10    1   47 o   19.352   2.7201   47.000   12.087   47.000   12.087   0.0000   0.0000   19.352   2.7201  ?   ?  0.000000 2.720066 
1 1 1   10    1   48 o   17.862   2.6727   40.300   10.927   40.300   10.927   0.0000   0.0000   17.862   2.6727  ?   ?  0.000000 2.672745 
1 1 1   10    1   49 o   15.116   2.6415   29.200   9.0857   29.200   9.0857   0.0000   0.0000   15.116   2.6415  ?   ?  0.000000 2.641535 
1 1 1   10    1   50 o   20.282   2.7470   52.500   12.818   52.500   12.818   0.0000   0.0000   20.282   2.7470  ?   ?  0.000000 2.746975 
1 1 1   10    1   51 o   21.497   2.8392   59.600   14.060   59.600   14.060   0.0000   0.0000   21.497   2.8392  ?   ?  0.000000 2.839220 
1 1 1   10    1   52 o   27.436   3.2364  100.600   20.564  100.600   20.564   0.0000   0.0000   27.436   3.2364  ?   ?  0.000000 3.236351 
1 1 1   10    1   53 o   27.871   3.3736  108.600   21.751  108.600   21.751   0.0000   0.0000   27.871   3.3736  ?   ?  0.000000 3.373634 
1 1 1   10    1   54 o   13.964   2.7244   27.100   8.6606   27.100   8.6606   0.0000   0.0000   13.964   2.7244  ?   ?  0.000000 2.724393 
1 1 1   10    1   55 o   14.937   2.7765   31.800   9.4326   31.800   9.4326   0.0000   0.0000   14.937   2.7765  ?   ?  0.000000 2.776511 
1 1 1   10    1   56 o   8.2682   2.5657   9.8000   5.5323   9.8000   5.5323   0.0000   0.0000   8.2682   2.5657  ?   ?  0.000000 2.565712 
1 1 1   10    1   57 o   10.987   2.9441   18.600   7.7931   18.600   7.7931   0.0000   0.0000   10.987   2.9441  ?   ?  0.000000 2.944104 
1 1 1   10    2    0 o  331.479   25.759 13427.30  1988.26 13427.30  1988.26 13427.30  1988.26  331.479   25.759  331.479   25.759 0.000000 0.000000 
1 1 1   10    2    1 f  207.889   11.010  5149.45  538.552  5482.30  761.681  4816.70  761.574  213.664   15.196  199.952   16.271 13.71242 22.26313 
1 1 1   10    2    2 o   88.112   4.8356  920.556  100.227  956.000  141.730  885.100  141.754   89.623   6.7465   86.185   7.0265 3.437759 9.741031 
1 1 1   10    2    3 o  465.530   37.526 27673.50  4090.12 27673.50  4090.12   0.0000   0.0000  465.530   37.526  ?   ?  0.000000 37.52591 
1 1 1   10    2    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    2    5 o   59.233   3.4163  415.905   47.581  431.300   67.280  400.500   67.300   60.213   4.7709   57.989   4.9626 2.223267 6.883973 
1 1 1   10    2    6 o  264.826   14.101  8401.77  878.612  8914.60  1242.53  7888.90  1242.57  271.044   19.545  254.408   20.867 16.63516 28.59085 
1 1 1   10    2    7 o  209.834   11.010  5252.81  543.635  4926.90  768.532  5579.20  769.101  201.963   16.253  215.279   15.228 -13.31572 22.27158 
1 1 1   10    2    8 o  262.017   13.946  8236.86  859.748  8157.30  1215.58  8316.50  1216.16  258.564   20.066  261.170   19.869 -2.605957 28.23881 
1 1 1   10    2    9 o  282.721   15.003  9623.25  998.006 10505.30  1411.56  8741.60  1411.23  293.012   20.531  266.131   22.673 26.88086 30.58688 
1 1 1   10    2   10 o   26.322   1.9484   82.280   12.025   90.300   17.026   74.300   16.984   27.520   2.6529   24.904   2.9452 2.616438 3.963891 
1 1 1   10    2   11 o  246.205   13.239  7289.21  766.855  7451.50  1083.98  7126.60  1085.02  246.722   18.746  241.035   19.223 5.686737 26.85029 
1 1 1   10    2   12 o  242.750   12.829  7089.12  732.745  7538.80  1036.88  6640.50  1035.64  248.256   17.806  232.340   19.044 15.91570 26.07133 
1 1 1   10    2   13 o   55.380   3.2570  363.775   42.405  413.900   59.955  313.600   59.984   58.989   4.3345   51.223   5.0239 7.766582 6.635315 
1 1 1   10    2   14 o  287.933   16.279 10129.92  1102.31 11027.00  1556.98  9228.40  1560.82  296.058   22.438  268.842   24.868 27.21603 33.49448 
1 1 1   10    2   15 o  279.796   15.221  9548.65  1001.87  9698.30  1416.13  9398.70  1417.58  277.413   21.793  272.750   22.203 4.662781 31.11130 
1 1 1   10    2   16 o   26.119   1.9253   81.026   11.791   90.400   16.696   71.700   16.653   27.536   2.5986   24.453   2.9432 3.082951 3.926199 
1 1 1   10    2   17 o  155.958   8.5349  2911.38  313.127  3029.40  442.211  2792.70  443.450  158.088   11.934  151.558   12.503 6.529816 17.28381 
1 1 1   10    2   18 o  170.402   9.3376  3485.94  374.295  3633.90  528.635  3337.20  530.034  172.650   13.063  165.145   13.716 7.504517 18.94136 
1 1 1   10    2   19 o  208.650   11.326  5265.24  555.917  5546.00  785.988  4984.20  786.382  211.802   15.830  200.170   16.792 11.63168 23.07711 
1 1 1   10    2   20 o   96.282   5.2699  1103.06  119.359  1161.90  168.783  1044.20  168.816   98.479   7.3103   93.245   7.7369 5.233406 10.64422 
1 1 1   10    2   21 o   87.143   6.8540  909.700  139.900  909.700  139.900   0.0000   0.0000   87.143   6.8540  ?   ?  0.000000 6.853961 
1 1 1   10    2   22 o   71.330   5.7218  608.300   95.564  608.300   95.564   0.0000   0.0000   71.330   5.7218  ?   ?  0.000000 5.721805 
1 1 1   10    2   23 o   75.452   6.0162  681.400  106.299  681.400  106.299   0.0000   0.0000   75.452   6.0162  ?   ?  0.000000 6.016157 
1 1 1   10    2   24 o   92.399   7.2550  1025.80  157.022  1025.80  157.022   0.0000   0.0000   92.399   7.2550  ?   ?  0.000000 7.255006 
1 1 1   10    2   25 o  175.901   13.896  3850.70  572.494  3850.70  572.494   0.0000   0.0000  175.901   13.896  ?   ?  0.000000 13.89605 
1 1 1   10    2   26 o   81.884   6.5026  806.100  124.697  806.100  124.697   0.0000   0.0000   81.884   6.5026  ?   ?  0.000000 6.502612 
1 1 1   10    2   27 o  189.079   15.377  4584.90  680.590  4584.90  680.590   0.0000   0.0000  189.079   15.377  ?   ?  0.000000 15.37650 
1 1 1   10    2   28 o  215.996   18.507  6314.80  934.838  6314.80  934.838   0.0000   0.0000  215.996   18.507  ?   ?  0.000000 18.50733 
1 1 1   10    2   29 o   58.831   4.8846  416.300   67.244  416.300   67.244   0.0000   0.0000   58.831   4.8846  ?   ?  0.000000 4.884648 
1 1 1   10    2   30 o  126.001   10.205  2004.50  301.034  2004.50  301.034   0.0000   0.0000  126.001   10.205  ?   ?  0.000000 10.20532 
1 1 1   10    2   31 o   18.558   2.5293   41.600   10.795   41.600   10.795   0.0000   0.0000   18.558   2.5293  ?   ?  0.000000 2.529304 
1 1 1   10    2   32 o   64.990   5.3722  514.300   81.705  514.300   81.705   0.0000   0.0000   64.990   5.3722  ?   ?  0.000000 5.372172 
1 1 1   10    2   33 f   60.291   5.0522  443.100   71.264  443.100   71.264   0.0000   0.0000   60.291   5.0522  ?   ?  0.000000 5.052208 
1 1 1   10    2   34 o   50.132   4.3372  305.100   50.837  305.100   50.837   0.0000   0.0000   50.132   4.3372  ?   ?  0.000000 4.337154 
1 1 1   10    2   35 o   29.219   3.0222  103.000   20.551  103.000   20.551   0.0000   0.0000   29.219   3.0222  ?   ?  0.000000 3.022164 
1 1 1   10    2   36 o  108.017   9.2685  1549.00  234.119  1549.00  234.119   0.0000   0.0000  108.017   9.2685  ?   ?  0.000000 9.268500 
1 1 1   10    2   37 o   72.799   6.1258  667.100  104.325  667.100  104.325   0.0000   0.0000   72.799   6.1258  ?   ?  0.000000 6.125771 
1 1 1   10    2   38 o   69.946   5.9507  619.900   97.353  619.900   97.353   0.0000   0.0000   69.946   5.9507  ?   ?  0.000000 5.950718 
1 1 1   10    2   39 o   68.593   5.9265  603.900   95.050  603.900   95.050   0.0000   0.0000   68.593   5.9265  ?   ?  0.000000 5.926479 
1 1 1   10    2   40 o   42.385   3.9017  222.800   38.612  222.800   38.612   0.0000   0.0000   42.385   3.9017  ?   ?  0.000000 3.901662 
1 1 1   10    2   41 o   16.671   2.5333   34.200   9.6590   34.200   9.6590   0.0000   0.0000   16.671   2.5333  ?   ?  0.000000 2.533292 
1 1 1   10    2   42 o   29.379   3.0968  106.500   21.160  106.500   21.160   0.0000   0.0000   29.379   3.0968  ?   ?  0.000000 3.096787 
1 1 1   10    2   43 o   6.5834   2.1666   5.0000   3.9013   5.0000   3.9013   0.0000   0.0000   6.5834   2.1666  ?   ?  0.000000 2.166629 
1 1 1   10    2   44 o   29.808   3.1463  110.300   21.811  110.300   21.811   0.0000   0.0000   29.808   3.1463  ?   ?  0.000000 3.146283 
1 1 1   10    2   45 o   25.776   2.9360   82.400   17.551   82.400   17.551   0.0000   0.0000   25.776   2.9360  ?   ?  0.000000 2.936046 
1 1 1   10    2   46 o   23.040   2.7943   66.100   14.892   66.100   14.892   0.0000   0.0000   23.040   2.7943  ?   ?  0.000000 2.794329 
1 1 1   10    2   47 o   17.741   2.5864   39.400   10.516   39.400   10.516   0.0000   0.0000   17.741   2.5864  ?   ?  0.000000 2.586361 
1 1 1   10    2   48 o   23.537   2.8754   70.100   15.649   70.100   15.649   0.0000   0.0000   23.537   2.8754  ?   ?  0.000000 2.875440 
1 1 1   10    2   49 o   12.795   2.6560   21.100   7.7621   21.100   7.7621   0.0000   0.0000   12.795   2.6560  ?   ?  0.000000 2.655997 
1 1 1   10    2   50 o   29.114   3.2418  110.200   21.908  110.200   21.908   0.0000   0.0000   29.114   3.2418  ?   ?  0.000000 3.241824 
1 1 1   10    2   51 o   29.860   3.3244  117.600   23.042  117.600   23.042   0.0000   0.0000   29.860   3.3244  ?   ?  0.000000 3.324383 
1 1 1   10    2   52 o   24.206   3.0426   77.500   17.007   77.500   17.007   0.0000   0.0000   24.206   3.0426  ?   ?  0.000000 3.042605 
1 1 1   10    2   53 o   4.6731   1.8753   1.5000   3.1554   1.5000   3.1554   0.0000   0.0000   4.6731   1.8753  ?   ?  0.000000 1.875269 
1 1 1   10    2   54 o   6.3641   2.3381   4.7000   4.6108   4.7000   4.6108   0.0000   0.0000   6.3641   2.3381  ?   ?  0.000000 2.338085 
1 1 1   10    2   55 o   3.4090   1.5865  -2.4000   3.1007  -2.4000   3.1007   0.0000   0.0000   3.4090   1.5865  ?   ?  0.000000 1.586501 
1 1 1   10    2   56 o   4.4074   1.8688   0.7000   3.3744   0.7000   3.3744   0.0000   0.0000   4.4074   1.8688  ?   ?  0.000000 1.868834 
1 1 1   10    2   57 o   9.0587   2.9192   12.600   7.1005   12.600   7.1005   0.0000   0.0000   9.0587   2.9192  ?   ?  0.000000 2.919174 
1 1 1   10    3    0 o  156.204   12.074  2943.10  439.231  2943.10  439.231  2943.10  439.231  156.204   12.074  156.204   12.074 0.000000 0.000000 
1 1 1   10    3    1 o  323.126   17.318 12560.29  1316.60 12486.80  1865.05 12633.30  1858.88  319.034   24.955  321.025   24.712 -1.991577 35.12035 
1 1 1   10    3    2 o  347.772   18.559 14585.49  1518.58 15066.40  2148.06 14105.00  2147.14  349.900   26.188  337.995   27.131 11.90494 37.70799 
1 1 1   10    3    3 o  304.370   16.213 11126.37  1161.04 11477.90  1642.14 10775.00  1641.77  306.638   22.843  296.710   23.628 9.927765 32.86476 
1 1 1   10    3    4 o  194.814   10.349  4520.54  474.350  4428.80  670.797  4612.30  670.867  191.916   14.919  195.948   14.604 -4.031509 20.87699 
1 1 1   10    3    5 o  170.576   9.0951  3461.62  365.019  3626.50  516.182  3296.70  516.247  173.999   12.650  165.726   13.304 8.272537 18.35773 
1 1 1   10    3    6 o  297.028   15.849 10606.06  1107.62 10635.50  1566.10 10576.60  1566.74  294.720   22.677  293.861   22.756 0.8582153 32.12619 
1 1 1   10    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    3    8 o  362.411   18.968 15944.04  1617.60 14636.60  2285.84 17255.60  2289.44  341.289   28.628  372.525   26.193 -31.23599 38.80245 
1 1 1   10    3    9 o  351.636   18.331 15015.71  1516.79 14167.90  2140.17 15871.30  2149.98  336.002   27.207  356.858   25.686 -20.85593 37.41660 
1 1 1   10    3   10 o  177.261   9.4595  3748.16  394.524  3833.00  557.906  3663.30  557.976  178.373   13.342  174.272   13.669 4.101273 19.10087 
1 1 1   10    3   11 o  253.065   13.532  7708.84  805.722  7687.10  1139.26  7730.60  1139.66  250.193   19.436  250.929   19.384 -0.7356873 27.44995 
1 1 1   10    3   12 f  382.336   31.388 19062.70  2808.78 19062.70  2808.78   0.0000   0.0000  382.336   31.388  ?   ?  0.000000 31.38773 
1 1 1   10    3   13 o  345.555   28.086 15411.50  2271.91 15411.50  2271.91   0.0000   0.0000  345.555   28.086  ?   ?  0.000000 28.08573 
1 1 1   10    3   14 o   47.306   2.8438  265.439   31.619  297.100   44.724  233.800   44.708   49.973   3.8190   44.238   4.3356 5.735321 5.777709 
1 1 1   10    3   15 o   25.448   1.8995   76.921   11.332   91.200   16.042   62.700   16.009   27.671   2.4815   22.829   3.0457 4.841154 3.928634 
1 1 1   10    3   16 o  227.341   12.377  6250.56  661.938  6671.70  935.832  5828.90  936.411  232.395   17.175  216.377   18.505 16.01843 25.24714 
1 1 1   10    3   17 o   83.655   4.8206  831.894   94.823  949.100  133.961  714.200  134.240   89.156   6.4057   77.099   7.4670 12.05658 9.838140 
1 1 1   10    3   18 o  237.198   13.259  6849.65  739.697  7377.90  1044.91  6319.00  1047.28  242.916   18.352  223.516   20.056 19.40028 27.18477 
1 1 1   10    3   19 f  109.871   5.9417  1437.88  153.582  1590.20  217.210  1285.60  217.185  115.157   8.0382  103.271   8.9960 11.88596 12.06407 
1 1 1   10    3   20 o   97.537   5.3277  1132.16  122.243  1137.10  172.796  1127.20  172.960   97.362   7.5756   96.925   7.6183 0.4362259 10.74377 
1 1 1   10    3   21 o  114.610   6.2165  1566.31  167.611  1582.70  236.948  1549.90  237.128  114.644   8.8204  113.416   8.9263 1.227898 12.54903 
1 1 1   10    3   22 o   32.596   2.2439  126.162   17.167  117.600   24.295  134.700   24.260   31.351   3.3328   33.604   3.0919 -2.253675 4.546160 
1 1 1   10    3   23 o  131.662   6.8799  2072.42  213.155  1943.80  300.886  2202.00  302.009  126.572   10.153  134.970   9.5373 -8.398331 13.92962 
1 1 1   10    3   24 o  181.900   14.322  4107.30  610.220  4107.30  610.220   0.0000   0.0000  181.900   14.322  ?   ?  0.000000 14.32247 
1 1 1   10    3   25 o  150.180   11.763  2771.60  413.802  2771.60  413.802   0.0000   0.0000  150.180   11.763  ?   ?  0.000000 11.76261 
1 1 1   10    3   26 o  115.201   9.0258  1613.30  243.566  1613.30  243.566   0.0000   0.0000  115.201   9.0258  ?   ?  0.000000 9.025801 
1 1 1   10    3   27 o  168.429   13.514  3581.30  532.938  3581.30  532.938   0.0000   0.0000  168.429   13.514  ?   ?  0.000000 13.51361 
1 1 1   10    3   28 o   56.140   4.6909  378.100   61.617  378.100   61.617   0.0000   0.0000   56.140   4.6909  ?   ?  0.000000 4.690930 
1 1 1   10    3   29 o   38.717   3.5512  179.600   32.105  179.600   32.105   0.0000   0.0000   38.717   3.5512  ?   ?  0.000000 3.551173 
1 1 1   10    3   30 o   20.042   2.5822   48.400   11.936   48.400   11.936   0.0000   0.0000   20.042   2.5822  ?   ?  0.000000 2.582158 
1 1 1   10    3   31 o   74.911   6.0940  685.000  106.864  685.000  106.864   0.0000   0.0000   74.911   6.0940  ?   ?  0.000000 6.093985 
1 1 1   10    3   32 o   4.9683   1.7671   2.5000   2.6075   2.5000   2.6075   0.0000   0.0000   4.9683   1.7671  ?   ?  0.000000 1.767117 
1 1 1   10    3   33 o   12.902   2.4039   20.400   7.0543   20.400   7.0543   0.0000   0.0000   12.902   2.4039  ?   ?  0.000000 2.403873 
1 1 1   10    3   34 o   15.179   2.4936   28.100   8.6278   28.100   8.6278   0.0000   0.0000   15.179   2.4936  ?   ?  0.000000 2.493646 
1 1 1   10    3   35 o   32.738   3.2334  129.400   24.669  129.400   24.669   0.0000   0.0000   32.738   3.2334  ?   ?  0.000000 3.233409 
1 1 1   10    3   36 o   22.369   2.6844   60.500   13.896   60.500   13.896   0.0000   0.0000   22.369   2.6844  ?   ?  0.000000 2.684365 
1 1 1   10    3   37 o   32.842   3.2439  130.700   24.828  130.700   24.828   0.0000   0.0000   32.842   3.2439  ?   ?  0.000000 3.243888 
1 1 1   10    3   38 o   52.945   4.6150  346.800   57.120  346.800   57.120   0.0000   0.0000   52.945   4.6150  ?   ?  0.000000 4.614956 
1 1 1   10    3   39 o   33.294   3.2901  135.400   25.528  135.400   25.528   0.0000   0.0000   33.294   3.2901  ?   ?  0.000000 3.290051 
1 1 1   10    3   40 o   33.647   3.3278  139.100   26.094  139.100   26.094   0.0000   0.0000   33.647   3.3278  ?   ?  0.000000 3.327781 
1 1 1   10    3   41 o   48.288   4.3811  294.300   49.411  294.300   49.411   0.0000   0.0000   48.288   4.3811  ?   ?  0.000000 4.381063 
1 1 1   10    3   42 o   23.721   2.8007   69.200   15.385   69.200   15.385   0.0000   0.0000   23.721   2.8007  ?   ?  0.000000 2.800668 
1 1 1   10    3   43 o   6.7775   2.1772   5.4000   3.9519   5.4000   3.9519   0.0000   0.0000   6.7775   2.1772  ?   ?  0.000000 2.177153 
1 1 1   10    3   44 o   20.250   2.6478   50.600   12.358   50.600   12.358   0.0000   0.0000   20.250   2.6478  ?   ?  0.000000 2.647762 
1 1 1   10    3   45 o   50.738   4.6857  336.100   55.505  336.100   55.505   0.0000   0.0000   50.738   4.6857  ?   ?  0.000000 4.685654 
1 1 1   10    3   46 o   13.146   2.4715   21.700   7.3908   21.700   7.3908   0.0000   0.0000   13.146   2.4715  ?   ?  0.000000 2.471522 
1 1 1   10    3   47 o   8.8911   2.3512  10.0000   5.0119  10.0000   5.0119   0.0000   0.0000   8.8911   2.3512  ?   ?  0.000000 2.351172 
1 1 1   10    3   48 o   19.665   2.6967   48.800   12.193   48.800   12.193   0.0000   0.0000   19.665   2.6967  ?   ?  0.000000 2.696695 
1 1 1   10    3   49 o   22.818   2.8272   66.300   14.907   66.300   14.907   0.0000   0.0000   22.818   2.8272  ?   ?  0.000000 2.827151 
1 1 1   10    3   50 o   11.609   2.5542   17.400   6.8118   17.400   6.8118   0.0000   0.0000   11.609   2.5542  ?   ?  0.000000 2.554193 
1 1 1   10    3   51 o   15.391   2.7211   30.700   9.5278   30.700   9.5278   0.0000   0.0000   15.391   2.7211  ?   ?  0.000000 2.721105 
1 1 1   10    3   52 o   14.571   2.5983   27.700   8.6121   27.700   8.6121   0.0000   0.0000   14.571   2.5983  ?   ?  0.000000 2.598263 
1 1 1   10    3   53 o   8.3673   2.4787   9.3000   5.2453   9.3000   5.2453   0.0000   0.0000   8.3673   2.4787  ?   ?  0.000000 2.478654 
1 1 1   10    3   54 o   9.2144   2.6734   11.900   6.1579   11.900   6.1579   0.0000   0.0000   9.2144   2.6734  ?   ?  0.000000 2.673394 
1 1 1   10    3   55 f  ?   ?   -5.3000   0.9763  -5.3000   0.9763   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    3   56 o   3.3678   1.5645  -2.2000   2.9939  -2.2000   2.9939   0.0000   0.0000   3.3678   1.5645  ?   ?  0.000000 1.564514 
1 1 1   10    3   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    4    0 o  299.859   23.169 10957.20  1618.01 10957.20  1618.01 10957.20  1618.01  299.859   23.169  299.859   23.169 0.000000 0.000000 
1 1 1   10    4    1 o  129.769   6.9330  1999.17  211.681  2088.80  299.416  1909.60  299.308  132.324   9.6489  126.423   10.111 5.901093 13.97592 
1 1 1   10    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    4    3 o  374.783   29.392 17484.60  2580.32   0.0000   0.0000 17484.60  2580.32  ?   ?   374.783   29.392 0.000000 29.39188 
1 1 1   10    4    4 o  295.564   15.805 10492.47  1099.10 10658.70  1553.78 10326.00  1554.95  295.385   22.444  290.538   22.849 4.847351 32.02832 
1 1 1   10    4    5 o  253.359   13.419  7682.17  799.973  8051.10  1131.53  7313.50  1131.13  257.778   18.717  245.286   19.695 12.49150 27.17004 
1 1 1   10    4    6 o  215.073   11.377  5521.59  575.759  5748.50  814.445  5294.90  814.047  218.343   15.906  209.309   16.607 9.034164 22.99508 
1 1 1   10    4    7 o   16.466   1.6848   32.353   6.4585   31.000   9.1427   33.700   9.1247   16.009   2.5002   16.724   2.3774 -0.7149105 3.450088 
1 1 1   10    4    8 f  356.263   28.215 15949.40  2354.19 15949.40  2354.19   0.0000   0.0000  356.263   28.215  ?   ?  0.000000 28.21469 
1 1 1   10    4    9 o  186.665   9.8876  4157.45  434.273  4365.80  614.304  3949.30  614.005  190.383   13.757  180.824   14.502 9.560013 19.98902 
1 1 1   10    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    4   11 o  118.113   6.4759  1658.57  179.928  1607.20  255.005  1709.50  253.913  115.817   9.4055  119.530   9.0634 -3.712990 13.06175 
1 1 1   10    4   12 o  230.039   12.336  6364.39  667.661  6325.80  944.737  6402.90  943.695  227.137   17.755  228.588   17.619 -1.450653 25.01350 
1 1 1   10    4   13 o  218.303   11.640  5729.57  597.867  6087.10  845.602  5372.20  845.422  223.211   16.152  209.118   17.275 14.09273 23.65013 
1 1 1   10    4   14 o  260.448   14.154  8232.64  867.220  8477.10  1225.83  7987.70  1227.04  260.788   20.060  252.647   20.751 8.141052 28.86156 
1 1 1   10    4   15 o  299.389   16.452 10995.96  1158.67 12500.50  1638.41  9490.70  1638.80  314.530   22.202  270.652   25.960 43.87772 34.15965 
1 1 1   10    4   16 o  102.807   5.5986  1257.11  135.401  1268.60  191.393  1245.60  191.580  102.898   7.9382  101.940   8.0236 0.9585800 11.28686 
1 1 1   10    4   17 o  269.004   21.579  9201.30  1359.18  9201.30  1359.18   0.0000   0.0000  269.004   21.579  ?   ?  0.000000 21.57873 
1 1 1   10    4   18 o  181.405   14.099  4032.00  599.221  4032.00  599.221   0.0000   0.0000  181.405   14.099  ?   ?  0.000000 14.09941 
1 1 1   10    4   19 o  134.662   7.5629  2168.47  239.515  2357.80  338.175  1977.90  339.280  139.693   10.325  127.559   11.383 12.13350 15.36841 
1 1 1   10    4   20 o  141.278   7.9107  2389.90  262.845  2569.40  371.101  2209.20  372.341  145.623   10.870  134.650   11.830 10.97296 16.06618 
1 1 1   10    4   21 o  126.054   6.8364  1897.54  202.732  2023.90  286.660  1771.10  286.751  129.547   9.4357  120.944   10.134 8.603302 13.84669 
1 1 1   10    4   22 o  104.219   5.6425  1294.07  138.344  1444.40  195.667  1143.80  195.630  109.737   7.5977   97.364   8.5972 12.37228 11.47332 
1 1 1   10    4   23 o   83.963   4.6506  838.712   91.846  882.800  129.871  794.600  129.908   85.854   6.4532   81.357   6.8251 4.497597 9.392908 
1 1 1   10    4   24 o  109.981   5.9986  1443.98  155.198  1487.90  219.416  1400.00  219.550  111.062   8.4293  107.634   8.7129 3.427773 12.12304 
1 1 1   10    4   25 o   72.726   4.0750  629.099   69.699  649.900   98.573  608.300   98.566   73.666   5.7113   71.218   5.9146 2.448036 8.221982 
1 1 1   10    4   26 o   86.025   6.8140  891.200  137.285  891.200  137.285   0.0000   0.0000   86.025   6.8140  ?   ?  0.000000 6.813980 
1 1 1   10    4   27 o   53.026   4.4771  336.700   55.535  336.700   55.535   0.0000   0.0000   53.026   4.4771  ?   ?  0.000000 4.477083 
1 1 1   10    4   28 o  235.436   21.005  7811.70  1155.48  7811.70  1155.48   0.0000   0.0000  235.436   21.005  ?   ?  0.000000 21.00453 
1 1 1   10    4   29 o   44.558   3.9271  238.100   40.897  238.100   40.897   0.0000   0.0000   44.558   3.9271  ?   ?  0.000000 3.927107 
1 1 1   10    4   30 o  102.120   8.2059  1291.20  196.207  1291.20  196.207   0.0000   0.0000  102.120   8.2059  ?   ?  0.000000 8.205891 
1 1 1   10    4   31 o   67.892   5.5766  560.500   88.612  560.500   88.612   0.0000   0.0000   67.892   5.5766  ?   ?  0.000000 5.576565 
1 1 1   10    4   32 o   69.236   5.6984  585.900   92.337  585.900   92.337   0.0000   0.0000   69.236   5.6984  ?   ?  0.000000 5.698428 
1 1 1   10    4   33 o   86.353   7.0860  931.100  143.218  931.100  143.218   0.0000   0.0000   86.353   7.0860  ?   ?  0.000000 7.085983 
1 1 1   10    4   34 o   70.942   5.8768  621.400   97.562  621.400   97.562   0.0000   0.0000   70.942   5.8768  ?   ?  0.000000 5.876833 
1 1 1   10    4   35 o   23.180   2.7270   64.900   14.641   64.900   14.641   0.0000   0.0000   23.180   2.7270  ?   ?  0.000000 2.726994 
1 1 1   10    4   36 o   35.101   3.3715  149.100   27.601  149.100   27.601   0.0000   0.0000   35.101   3.3715  ?   ?  0.000000 3.371521 
1 1 1   10    4   37 f   66.323   5.6047  549.300   86.954  549.300   86.954   0.0000   0.0000   66.323   5.6047  ?   ?  0.000000 5.604667 
1 1 1   10    4   38 o   35.454   3.4110  153.100   28.204  153.100   28.204   0.0000   0.0000   35.454   3.4110  ?   ?  0.000000 3.411022 
1 1 1   10    4   39 o   19.942   2.6211   48.500   12.044   48.500   12.044   0.0000   0.0000   19.942   2.6211  ?   ?  0.000000 2.621106 
1 1 1   10    4   40 o   57.719   5.0954  425.400   68.735  425.400   68.735   0.0000   0.0000   57.719   5.0954  ?   ?  0.000000 5.095379 
1 1 1   10    4   41 o   20.531   2.6551   51.700   12.571   51.700   12.571   0.0000   0.0000   20.531   2.6551  ?   ?  0.000000 2.655061 
1 1 1   10    4   42 o   49.146   4.4769  308.200   51.385  308.200   51.385   0.0000   0.0000   49.146   4.4769  ?   ?  0.000000 4.476856 
1 1 1   10    4   43 o   25.907   2.9040   82.800   17.460   82.800   17.460   0.0000   0.0000   25.907   2.9040  ?   ?  0.000000 2.904003 
1 1 1   10    4   44 o   27.491   3.0127   93.600   19.236   93.600   19.236   0.0000   0.0000   27.491   3.0127  ?   ?  0.000000 3.012675 
1 1 1   10    4   45 o   14.100   2.4982   24.800   8.0137   24.800   8.0137   0.0000   0.0000   14.100   2.4982  ?   ?  0.000000 2.498231 
1 1 1   10    4   46 o   32.131   3.3205  130.300   24.830  130.300   24.830   0.0000   0.0000   32.131   3.3205  ?   ?  0.000000 3.320537 
1 1 1   10    4   47 o   16.157   2.5781   32.800   9.5055   32.800   9.5055   0.0000   0.0000   16.157   2.5781  ?   ?  0.000000 2.578119 
1 1 1   10    4   48 o   27.907   3.1068   99.400   20.126   99.400   20.126   0.0000   0.0000   27.907   3.1068  ?   ?  0.000000 3.106772 
1 1 1   10    4   49 o   23.397   2.8597   69.800   15.471   69.800   15.471   0.0000   0.0000   23.397   2.8597  ?   ?  0.000000 2.859727 
1 1 1   10    4   50 o   18.054   2.6753   41.600   11.060   41.600   11.060   0.0000   0.0000   18.054   2.6753  ?   ?  0.000000 2.675272 
1 1 1   10    4   51 f   10.137   2.5663   13.400   6.1489   13.400   6.1489   0.0000   0.0000   10.137   2.5663  ?   ?  0.000000 2.566276 
1 1 1   10    4   52 f   9.2228   2.6032   11.200   5.9169   11.200   5.9169   0.0000   0.0000   9.2228   2.6032  ?   ?  0.000000 2.603176 
1 1 1   10    4   53 o   13.924   2.8250   26.500   8.9708   26.500   8.9708   0.0000   0.0000   13.924   2.8250  ?   ?  0.000000 2.825047 
1 1 1   10    4   54 o   5.6212   2.1019   3.4000   3.7567   3.4000   3.7567   0.0000   0.0000   5.6212   2.1019  ?   ?  0.000000 2.101857 
1 1 1   10    4   55 o   6.4893   2.3082   5.3000   4.4487   5.3000   4.4487   0.0000   0.0000   6.4893   2.3082  ?   ?  0.000000 2.308179 
1 1 1   10    4   56 o   7.7809   2.4495   8.5000   5.0220   8.5000   5.0220   0.0000   0.0000   7.7809   2.4495  ?   ?  0.000000 2.449475 
1 1 1   10    4   57 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    5    0 o   75.818   6.1238  692.600  107.992  692.600  107.992  692.600  107.992   75.818   6.1238   75.818   6.1238 -0.000000 0.000000 
1 1 1   10    5    1 o  388.749   30.693 18897.80  2794.63 18897.80  2794.63   0.0000   0.0000  388.749   30.693  ?   ?  0.000000 30.69301 
1 1 1   10    5    2 o  320.365   16.955 12351.35  1278.07 13052.50  1808.31 11651.50  1806.63  326.511   23.613  307.696   25.083 18.81543 34.44900 
1 1 1   10    5    3 o  277.990   14.853  9267.77  971.501 10126.20  1373.82  8409.10  1374.00  288.727   20.279  262.158   22.411 26.56903 30.22373 
1 1 1   10    5    4 o  370.112   20.175 16618.99  1756.60 15669.80  2486.03 17565.40  2482.38  353.652   30.054  375.837   28.176 -22.18561 41.19625 
1 1 1   10    5    5 o  263.663   14.021  8333.05  869.825  8534.50  1230.27  8131.70  1229.97  264.885   19.812  258.326   20.328 6.558868 28.38559 
1 1 1   10    5    6 o  153.182   7.8688  2789.25  283.669  2397.70  400.914  3181.80  401.422  141.301   12.133  163.231   10.470 -21.92992 16.02594 
1 1 1   10    5    7 o  173.061   9.2044  3567.67  374.795  3643.10  530.159  3492.30  529.922  174.135   12.986  170.407   13.274 3.727905 18.57008 
1 1 1   10    5    8 o  198.008   10.573  4682.24  492.566  4829.50  696.497  4534.90  696.691  200.020   14.852  193.642   15.362 6.378006 21.36810 
1 1 1   10    5    9 o  249.068   13.172  7450.30  771.963  8484.50  1091.90  6416.80  1091.54  264.128   17.608  228.350   20.460 35.77849 26.99339 
1 1 1   10    5   10 o  175.275   9.3399  3665.91  385.173  3982.60  544.749  3349.30  544.684  181.900   12.763  166.404   13.992 15.49551 18.93845 
1 1 1   10    5   11 o  233.203   12.444  6536.80  682.771  6613.30  967.170  6460.80  964.007  232.463   17.753  229.681   17.916 2.782028 25.22243 
1 1 1   10    5   12 o  203.079   10.885  4945.35  520.058  5019.50  735.244  4871.10  735.701  203.033   15.452  199.891   15.713 3.142899 22.03756 
1 1 1   10    5   13 o  116.559   6.3097  1616.32  173.019  1647.90  244.605  1584.70  244.768  117.261   8.9002  114.941   9.0924 2.320724 12.72341 
1 1 1   10    5   14 o   79.349   4.3732  747.472   81.625  825.400  115.456  669.600  115.414   83.217   5.9140   74.813   6.6008 8.404816 8.862621 
1 1 1   10    5   15 o  105.566   5.7489  1325.57  142.768  1388.20  201.868  1262.90  201.942  107.675   7.9966  102.595   8.4095 5.079315 11.60452 
1 1 1   10    5   16 o   50.673   2.7503  304.390   32.786  397.800   46.481  211.900   46.252   57.896   3.4150   42.031   4.7430 15.86464 5.844559 
1 1 1   10    5   17 o   64.887   5.2630  502.500   79.945  502.500   79.945   0.0000   0.0000   64.887   5.2630  ?   ?  0.000000 5.262973 
1 1 1   10    5   18 o  231.994   18.369  6742.40  998.084  6742.40  998.084   0.0000   0.0000  231.994   18.369  ?   ?  0.000000 18.36939 
1 1 1   10    5   19 o  207.538   11.575  5217.37  564.989  5815.40  798.302  4617.20  799.729  216.900   15.692  191.878   17.855 25.02180 23.77106 
1 1 1   10    5   20 o   92.381   5.1858  1015.60  112.668  1181.30  159.243  849.500  159.432   99.385   6.8268   83.948   8.1452 15.43748 10.62780 
1 1 1   10    5   21 o   22.950   1.8168   62.616   9.7654   72.400   13.870   53.000   13.751   24.632   2.4158   20.980   2.8494 3.651894 3.735657 
1 1 1   10    5   22 o   66.089   3.8222  518.899   59.395  579.300   83.928  458.300   84.066   69.678   5.1372   61.827   5.8268 7.851147 7.768055 
1 1 1   10    5   23 o   53.545   3.2050  340.468   40.338  357.000   56.931  323.800   57.164   54.694   4.4466   52.036   4.7030 2.657578 6.472230 
1 1 1   10    5   24 o   20.022   1.7677   47.733   8.2717   51.800   11.723   43.700   11.673   20.790   2.4340   19.038   2.6700 1.752066 3.612936 
1 1 1   10    5   25 o   82.372   4.4985  807.764   87.169  778.800  122.988  837.000  123.563   80.508   6.5255   83.527   6.3113 -3.018364 9.078252 
1 1 1   10    5   26 o  141.885   7.5683  2425.49  252.653  2339.40  356.572  2512.30  358.044  137.788   11.052  143.012   10.679 -5.223648 15.36875 
1 1 1   10    5   27 o   55.906   3.2720  371.752   43.007  373.300   60.786  370.200   60.856   55.815   4.6544   55.576   4.6807 0.2387505 6.600961 
1 1 1   10    5   28 o  117.269   6.3028  1656.96  173.892  1582.80  245.524  1731.60  246.318  113.302   9.2578  118.752   8.8475 -5.449951 12.80567 
1 1 1   10    5   29 o   77.027   4.3424  709.879   78.661  739.500  111.189  680.200  111.297   78.139   6.0738   74.831   6.3588 3.308121 8.793459 
1 1 1   10    5   30 o   56.673   4.7520  387.400   63.007  387.400   63.007   0.0000   0.0000   56.673   4.7520  ?   ?  0.000000 4.752039 
1 1 1   10    5   31 o   64.173   5.3148  500.000   79.814  500.000   79.814   0.0000   0.0000   64.173   5.3148  ?   ?  0.000000 5.314827 
1 1 1   10    5   32 o   69.017   5.6886  582.600   91.884  582.600   91.884   0.0000   0.0000   69.017   5.6886  ?   ?  0.000000 5.688621 
1 1 1   10    5   33 o   13.192   2.3894   21.300   7.1692   21.300   7.1692   0.0000   0.0000   13.192   2.3894  ?   ?  0.000000 2.389377 
1 1 1   10    5   34 o   80.738   6.6716  814.200  126.055  814.200  126.055   0.0000   0.0000   80.738   6.6716  ?   ?  0.000000 6.671609 
1 1 1   10    5   35 o   49.046   4.2795  292.800   49.066  292.800   49.066   0.0000   0.0000   49.046   4.2795  ?   ?  0.000000 4.279456 
1 1 1   10    5   36 f   32.884   3.2370  130.800   24.810  130.800   24.810   0.0000   0.0000   32.884   3.2370  ?   ?  0.000000 3.236985 
1 1 1   10    5   37 o   71.675   6.0440  647.000  101.341  647.000  101.341   0.0000   0.0000   71.675   6.0440  ?   ?  0.000000 6.044034 
1 1 1   10    5   38 o   68.901   5.8851  603.100   94.831  603.100   94.831   0.0000   0.0000   68.901   5.8851  ?   ?  0.000000 5.885067 
1 1 1   10    5   39 o   19.025   2.5993   44.200   11.372   44.200   11.372   0.0000   0.0000   19.025   2.5993  ?   ?  0.000000 2.599271 
1 1 1   10    5   40 o   33.259   3.3144  136.000   25.684  136.000   25.684   0.0000   0.0000   33.259   3.3144  ?   ?  0.000000 3.314416 
1 1 1   10    5   41 o   17.464   2.5451   37.500   10.187   37.500   10.187   0.0000   0.0000   17.464   2.5451  ?   ?  0.000000 2.545058 
1 1 1   10    5   42 o   38.165   3.6670  182.000   32.641  182.000   32.641   0.0000   0.0000   38.165   3.6670  ?   ?  0.000000 3.666955 
1 1 1   10    5   43 o   41.858   3.9309  221.100   38.399  221.100   38.399   0.0000   0.0000   41.858   3.9309  ?   ?  0.000000 3.930944 
1 1 1   10    5   44 o   21.196   2.7144   55.500   13.274   55.500   13.274   0.0000   0.0000   21.196   2.7144  ?   ?  0.000000 2.714381 
1 1 1   10    5   45 o   21.091   2.7071   55.100   13.171   55.100   13.171   0.0000   0.0000   21.091   2.7071  ?   ?  0.000000 2.707063 
1 1 1   10    5   46 o   9.9786   2.4164   12.600   5.6332   12.600   5.6332   0.0000   0.0000   9.9786   2.4164  ?   ?  0.000000 2.416421 
1 1 1   10    5   47 o   2.6950   1.2003  -0.6000   1.5428  -0.6000   1.5428   0.0000   0.0000   2.6950   1.2003  ?   ?  0.000000 1.200296 
1 1 1   10    5   48 o   13.704   2.5568   23.900   7.9696   23.900   7.9696   0.0000   0.0000   13.704   2.5568  ?   ?  0.000000 2.556760 
1 1 1   10    5   49 o   15.084   2.5076   28.900   8.6185   28.900   8.6185   0.0000   0.0000   15.084   2.5076  ?   ?  0.000000 2.507624 
1 1 1   10    5   50 o   30.503   3.3175  121.500   23.511  121.500   23.511   0.0000   0.0000   30.503   3.3175  ?   ?  0.000000 3.317542 
1 1 1   10    5   51 o   17.469   2.6388   39.200   10.546   39.200   10.546   0.0000   0.0000   17.469   2.6388  ?   ?  0.000000 2.638811 
1 1 1   10    5   52 o   18.138   2.7017   43.000   11.218   43.000   11.218   0.0000   0.0000   18.138   2.7017  ?   ?  0.000000 2.701677 
1 1 1   10    5   53 o   20.308   2.9090   56.200   13.552   56.200   13.552   0.0000   0.0000   20.308   2.9090  ?   ?  0.000000 2.909039 
1 1 1   10    5   54 o  ?   ?   -8.7000   1.0194  -8.7000   1.0194   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    5   55 o   9.0529   2.5747   11.700   5.7655   11.700   5.7655   0.0000   0.0000   9.0529   2.5747  ?   ?  0.000000 2.574686 
1 1 1   10    5   56 o   10.674   2.7624   16.800   7.0161   16.800   7.0161   0.0000   0.0000   10.674   2.7624  ?   ?  0.000000 2.762379 
1 1 1   10    6    0 o  179.646   13.863  3899.30  580.044  3899.30  580.044  3899.30  580.044  179.646   13.863  179.646   13.863 0.000000 0.000000 
1 1 1   10    6    1 o  248.599   13.223  7393.55  773.458  7446.80  1093.83  7340.30  1093.83  247.848   18.831  246.010   18.976 1.837845 26.73354 
1 1 1   10    6    2 o  131.196   7.0289  2044.15  216.965  2083.40  306.853  2004.90  306.816  132.077   9.9110  129.521   10.112 2.556046 14.15903 
1 1 1   10    6    3 o  313.409   16.502 11825.39  1217.00 11199.80  1719.99 12452.60  1722.20  301.580   24.360  318.775   23.034 -17.19403 33.52611 
1 1 1   10    6    4 o  247.384   13.236  7327.66  770.367  7532.20  1089.05  7122.80  1089.88  249.139   18.647  242.031   19.228 7.108368 26.78481 
1 1 1   10    6    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    6    6 o  277.470   14.911  9260.68  973.379  9641.80  1376.15  8879.10  1376.98  280.681   20.913  268.842   21.880 11.83804 30.26721 
1 1 1   10    6    7 o  132.109   7.0894  2074.45  220.352  2075.10  311.484  2073.80  311.765  131.681   10.094  131.638   10.107 0.4339600E-01 14.28419 
1 1 1   10    6    8 o   91.487   4.9495  993.075  106.528  948.900  150.527  1037.40  150.782   89.171   7.2104   93.303   6.8925 -4.131622 9.974765 
1 1 1   10    6    9 o  334.018   18.045 13585.55  1418.02 13590.60  2004.71 13580.50  2006.04  328.773   26.035  328.628   26.065 0.1450195 36.84009 
1 1 1   10    6   10 o  353.977   19.251 15355.05  1603.08 15830.40  2267.94 14880.40  2266.26  352.926   27.429  341.278   28.379 11.64789 39.46794 
1 1 1   10    6   11 o  134.064   7.1973  2139.53  227.014  2204.40  321.087  2074.70  321.004  135.559   10.103  131.419   10.430 4.139587 14.52088 
1 1 1   10    6   12 o   41.630   2.5760  205.555   25.198  197.400   35.538  213.800   35.734   40.686   3.7410   42.370   3.6059 -1.684025 5.195908 
1 1 1   10    6   13 o  148.105   7.9616  2617.48  277.418  2658.30  392.189  2576.60  392.469  148.482   11.270  146.116   11.467 2.365967 16.07779 
1 1 1   10    6   14 o   44.408   2.6719  233.899   27.888  266.800   39.471  201.100   39.410   47.364   3.5550   41.019   4.1246 6.345089 5.445234 
1 1 1   10    6   15 o  148.687   8.0126  2641.00  280.286  2861.50  396.339  2420.40  396.428  154.023   10.969  141.291   11.995 12.73224 16.25445 
1 1 1   10    6   16 o  306.664   16.076 11560.30  1160.06 13818.20  1641.34  9306.60  1639.81  330.697   21.129  266.287   26.428 64.41086 33.83575 
1 1 1   10    6   17 o  124.005   6.8578  1834.56  200.030  2030.90  282.660  1637.60  283.112  129.953   9.2720  116.333   10.416 13.62030 13.94527 
1 1 1   10    6   18 o  159.647   12.372  3102.90  462.763  3102.90  462.763   0.0000   0.0000  159.647   12.372  ?   ?  0.000000 12.37198 
1 1 1   10    6   19 f  335.035   19.359 14149.27  1525.04 16110.80  2155.30 12182.50  2158.18  348.343   26.398  296.220   31.329 52.12256 40.96836 
1 1 1   10    6   20 o   55.738   3.3138  368.826   43.419  427.300   61.365  310.200   61.444   59.899   4.3686   50.874   5.1873 9.024464 6.781805 
1 1 1   10    6   21 o  202.636   11.155  4975.54  531.705  5202.20  750.894  4747.60  753.000  204.721   15.652  194.994   16.509 9.727539 22.74870 
1 1 1   10    6   22 o   90.634   5.0714  977.920  108.103  1016.90  152.549  938.600  153.213   92.078   7.0700   88.371   7.4106 3.707230 10.24213 
1 1 1   10    6   23 o   84.207   4.6252  843.578   91.615  828.800  129.253  858.500  129.877   83.129   6.6399   84.632   6.5498 -1.502846 9.326746 
1 1 1   10    6   24 o  147.706   8.2105  2625.58  285.240  2811.70  402.819  2438.40  403.963  151.595   11.335  140.687   12.283 10.90797 16.71381 
1 1 1   10    6   25 o  202.926   10.924  5033.72  521.511  4879.50  736.145  5189.10  738.919  195.983   16.047  202.550   15.568 -6.566681 22.35823 
1 1 1   10    6   26 o   90.239   5.0573  972.300  107.330  1055.00  151.651  889.300  151.926   93.568   6.9126   85.681   7.5875 7.886810 10.26419 
1 1 1   10    6   27 o   21.765   1.8383   56.400   9.3595   56.200   13.250   56.600   13.223   21.627   2.6498   21.708   2.6335 -0.8025169E-01 3.735918 
1 1 1   10    6   28 o   12.490   1.6334   18.756   4.7021   18.000   6.6750   19.500   6.6247   12.118   2.4175   12.640   2.3044 -0.5222778 3.339830 
1 1 1   10    6   29 f   29.345   2.0957  102.442   14.427   96.600   20.388  108.300   20.417   28.361   3.0946   30.075   2.9113 -1.714409 4.248734 
1 1 1   10    6   30 o   99.128   5.5413  1187.88  129.191  1257.20  182.597  1118.40  182.810  100.901   7.7223   94.847   8.2443 6.053314 11.29609 
1 1 1   10    6   31 o   85.661   4.8230  885.046   97.161  906.300  137.257  863.700  137.556   85.791   6.8319   83.638   7.0301 2.152931 9.802910 
1 1 1   10    6   32 o   38.830   2.3957  179.657   21.859  213.400   30.957  146.100   30.871   42.206   3.1284   34.736   3.8273 7.470470 4.943144 
1 1 1   10    6   33 o   26.534   1.9779   83.931   12.304   87.100   17.453   80.800   17.349   26.910   2.7871   25.890   2.8869 1.019869 4.012740 
1 1 1   10    6   34 o   23.580   2.7417   67.100   14.981   67.100   14.981   0.0000   0.0000   23.580   2.7417  ?   ?  0.000000 2.741734 
1 1 1   10    6   35 o   64.278   5.4003  509.700   81.207  509.700   81.207   0.0000   0.0000   64.278   5.4003  ?   ?  0.000000 5.400284 
1 1 1   10    6   36 o   44.696   3.9873  243.200   41.642  243.200   41.642   0.0000   0.0000   44.696   3.9873  ?   ?  0.000000 3.987334 
1 1 1   10    6   37 o   41.397   3.7766  208.800   36.511  208.800   36.511   0.0000   0.0000   41.397   3.7766  ?   ?  0.000000 3.776624 
1 1 1   10    6   38 f   44.414   4.0113  242.400   41.616  242.400   41.616   0.0000   0.0000   44.414   4.0113  ?   ?  0.000000 4.011287 
1 1 1   10    6   39 o   6.0259   2.0045   4.1000   3.3359   4.1000   3.3359   0.0000   0.0000   6.0259   2.0045  ?   ?  0.000000 2.004477 
1 1 1   10    6   40 o   31.912   3.2242  125.100   23.963  125.100   23.963   0.0000   0.0000   31.912   3.2242  ?   ?  0.000000 3.224199 
1 1 1   10    6   41 o   17.764   2.5542   38.800   10.406   38.800   10.406   0.0000   0.0000   17.764   2.5542  ?   ?  0.000000 2.554157 
1 1 1   10    6   42 o  ?   ?   -4.0000   0.5456  -4.0000   0.5456   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    6   43 o   39.347   3.7517  194.500   34.435  194.500   34.435   0.0000   0.0000   39.347   3.7517  ?   ?  0.000000 3.751700 
1 1 1   10    6   44 o   19.340   2.6141   46.200   11.633   46.200   11.633   0.0000   0.0000   19.340   2.6141  ?   ?  0.000000 2.614101 
1 1 1   10    6   45 o   11.495   2.4168   16.600   6.3521   16.600   6.3521   0.0000   0.0000   11.495   2.4168  ?   ?  0.000000 2.416802 
1 1 1   10    6   46 o   17.239   2.5872   37.100   10.207   37.100   10.207   0.0000   0.0000   17.239   2.5872  ?   ?  0.000000 2.587175 
1 1 1   10    6   47 o   27.376   3.0695   94.800   19.501   94.800   19.501   0.0000   0.0000   27.376   3.0695  ?   ?  0.000000 3.069497 
1 1 1   10    6   48 o   11.729   2.5155   17.600   6.7578   17.600   6.7578   0.0000   0.0000   11.729   2.5155  ?   ?  0.000000 2.515504 
1 1 1   10    6   49 o   30.287   3.3043  119.200   23.249  119.200   23.249   0.0000   0.0000   30.287   3.3043  ?   ?  0.000000 3.304292 
1 1 1   10    6   50 o   18.613   2.6685   44.200   11.393   44.200   11.393   0.0000   0.0000   18.613   2.6685  ?   ?  0.000000 2.668478 
1 1 1   10    6   51 o   33.140   3.5619  147.300   27.436  147.300   27.436   0.0000   0.0000   33.140   3.5619  ?   ?  0.000000 3.561883 
1 1 1   10    6   52 o   9.5926   2.4169   12.100   5.4721   12.100   5.4721   0.0000   0.0000   9.5926   2.4169  ?   ?  0.000000 2.416852 
1 1 1   10    6   53 o   12.527   2.5724   21.200   7.3547   21.200   7.3547   0.0000   0.0000   12.527   2.5724  ?   ?  0.000000 2.572405 
1 1 1   10    6   54 o   14.142   2.6575   27.800   8.5490   27.800   8.5490   0.0000   0.0000   14.142   2.6575  ?   ?  0.000000 2.657531 
1 1 1   10    6   55 o   16.033   2.8650   37.200   10.449   37.200   10.449   0.0000   0.0000   16.033   2.8650  ?   ?  0.000000 2.865048 
1 1 1   10    6   56 o   4.9624   2.2588  -1.8000   5.8144  -1.8000   5.8144   0.0000   0.0000   4.9624   2.2588  ?   ?  0.000000 2.258803 
1 1 1   10    7    0 o  171.872   13.288  3569.10  531.880  3569.10  531.880  3569.10  531.880  171.872   13.288  171.872   13.288 -0.000000 0.000000 
1 1 1   10    7    1 o  254.474   12.904  7747.10  772.845  6552.30  1091.87  8946.70  1094.07  231.750   20.153  272.207   17.108 -40.45647 26.43509 
1 1 1   10    7    2 o  210.316   11.200  5279.96  554.214  5289.70  783.325  5270.20  784.228  209.344   15.966  208.942   16.017 0.4019775 22.61552 
1 1 1   10    7    3 o  297.239   15.882 10637.30  1110.70 10599.70  1567.72 10675.20  1573.85  293.744   22.780  294.790   22.786 -1.046173 32.21993 
1 1 1   10    7    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10    7    5 o  119.950   6.4244  1708.74  181.309  1662.30  256.244  1755.30  256.574  117.926   9.2769  121.239   9.0268 -3.312523 12.94385 
1 1 1   10    7    6 o  132.468   7.1339  2085.94  222.330  2159.60  314.331  2012.20  314.514  134.368   9.9779  129.608   10.363 4.760208 14.38595 
1 1 1   10    7    7 o  353.587   18.806 15226.32  1564.56 13811.20  2211.62 16644.00  2213.62  330.139   28.654  364.863   25.860 -34.72385 38.59784 
1 1 1   10    7    8 o  229.360   12.039  6306.02  649.749  5946.80  918.204  6666.30  919.565  220.762   17.764  234.225   16.736 -13.46321 24.40621 
1 1 1   10    7    9 o  167.745   8.9551  3356.37  353.436  3237.90  499.780  3474.90  499.888  163.819   13.027  169.870   12.551 -6.051163 18.08979 
1 1 1   10    7   10 o  290.886   16.285 10287.31  1114.12 11419.60  1574.01  9150.40  1577.22  302.882   22.161  268.997   25.121 33.88513 33.49924 
1 1 1   10    7   11 o  180.289   9.6636  3887.84  409.911  4120.10  579.649  3655.50  579.753  184.538   13.393  173.477   14.280 11.06087 19.57768 
1 1 1   10    7   12 o  177.292   9.9104  3765.90  413.235  4279.70  583.752  3249.80  585.056  187.998   13.234  162.959   15.386 25.03966 20.29461 
1 1 1   10    7   13 o   64.286   3.6404  490.333   55.035  523.200   77.852  457.500   77.812   66.274   5.0117   61.903   5.3766 4.371399 7.350131 
1 1 1   10    7   14 o   90.251   4.9047  967.642  104.135  1080.40  147.307  855.000  147.231   95.155   6.5966   84.458   7.4590 10.69659 9.957463 
1 1 1   10    7   15 o  111.122   6.0191  1469.70  157.350  1575.00  222.527  1364.40  222.527  114.648   8.2753  106.531   8.9283 8.116333 12.17354 
1 1 1   10    7   16 o  191.805   10.607  4431.62  478.525  4807.90  676.002  4053.70  677.474  198.108   14.552  181.132   16.004 16.97614 21.63095 
1 1 1   10    7   17 o   98.487   5.5115  1154.38  127.662  1266.00  180.355  1042.30  180.729  102.822   7.4794   93.082   8.3098 9.739952 11.18010 
1 1 1   10    7   18 o   93.914   5.2878  1049.53  116.787  1150.90  164.979  947.700  165.346   98.050   7.1754   88.771   7.9729 9.279152 10.72634 
1 1 1   10    7   19 o  175.679   9.4645  3711.43  391.180  3881.50  553.170  3541.30  553.252  178.147   13.244  169.813   13.919 8.334030 19.21374 
1 1 1   10    7   20 o   87.658   4.9831  914.210  102.720  986.700  144.959  841.100  145.577   90.787   6.8115   83.662   7.4467 7.124252 10.09207 
1 1 1   10    7   21 o  107.544   5.9802  1379.06  151.268  1436.50  213.345  1321.00  214.511  109.273   8.3309  104.658   8.7605 4.615120 12.08925 
1 1 1   10    7   22 o  196.915   11.026  4707.18  510.616  5175.90  721.253  4236.20  722.989  204.140   15.069  183.431   16.881 20.70898 22.62823 
1 1 1   10    7   23 o   50.692   3.0038  305.066   35.795  297.000   50.516  313.200   50.729   49.865   4.3332   51.230   4.2313 -1.365002 6.056453 
1 1 1   10    7   24 o   46.825   2.8608  260.371   31.481  283.800   44.500  236.900   44.540   48.781   3.8957   44.487   4.2932 4.293644 5.797276 
1 1 1   10    7   25 o   96.965   5.4294  1122.86  123.818  1181.90  174.800  1063.40  175.411   98.980   7.5354   93.728   8.0021 5.251686 10.99164 
1 1 1   10    7   26 o  103.093   5.6586  1272.12  137.227  1278.20  193.779  1266.00  194.358  102.632   8.0606  102.116   8.1275 0.5165558 11.44685 
1 1 1   10    7   27 o   63.403   3.6780  478.808   54.830  510.500   77.470  447.000   77.612   65.225   5.0697   60.929   5.4521 4.296265 7.444904 
1 1 1   10    7   28 o   78.272   4.2554  731.857   78.356  682.700  110.540  781.500  111.086   75.067   6.2942   80.472   5.8867 -5.405418 8.618011 
1 1 1   10    7   29 o  123.876   6.8962  1868.24  200.924  1919.30  283.767  1816.90  284.534  123.698   9.7950  120.093   10.128 3.604568 14.08965 
1 1 1   10    7   30 o   57.717   3.3996  397.889   46.128  429.800   65.196  365.900   65.275   59.702   4.6615   54.943   5.0890 4.758289 6.901264 
1 1 1   10    7   31 o   85.770   4.8906  888.431   98.640  976.100  139.395  800.500  139.602   89.076   6.6757   80.221   7.4548 8.854752 10.00696 
1 1 1   10    7   32 o   43.741   2.7435  228.430   28.193  249.100   39.843  207.700   39.900   45.474   3.7437   41.401   4.1366 4.072659 5.579125 
1 1 1   10    7   33 o  112.189   6.2567  1553.35  165.091  1525.90  233.059  1581.00  233.891  108.544   9.1788  110.651   9.0302 -2.106812 12.87619 
1 1 1   10    7   34 o   54.666   3.2351  358.495   41.575  355.700   58.747  361.300   58.844   54.001   4.6524   54.439   4.6212 -0.4376297 6.557446 
1 1 1   10    7   35 o   47.206   2.8593  266.920   31.723  300.800   44.882  233.100   44.843   49.845   3.8428   43.664   4.4095 6.181076 5.849047 
1 1 1   10    7   36 f   35.010   2.3288  146.542   19.143  155.500   27.084  137.600   27.060   35.867   3.2326   33.667   3.4527 2.200684 4.729747 
1 1 1   10    7   37 o  103.504   9.1108  1455.10  220.406  1455.10  220.406   0.0000   0.0000  103.504   9.1108  ?   ?  0.000000 9.110768 
1 1 1   10    7   38 o   45.997   4.1187  260.700   44.262  260.700   44.262   0.0000   0.0000   45.997   4.1187  ?   ?  0.000000 4.118697 
1 1 1   10    7   39 o   50.676   4.5023  321.200   53.315  321.200   53.315   0.0000   0.0000   50.676   4.5023  ?   ?  0.000000 4.502329 
1 1 1   10    7   40 o   24.884   2.8482   75.800   16.435   75.800   16.435   0.0000   0.0000   24.884   2.8482  ?   ?  0.000000 2.848237 
1 1 1   10    7   41 o   49.260   4.4612  308.300   51.330  308.300   51.330   0.0000   0.0000   49.260   4.4612  ?   ?  0.000000 4.461175 
1 1 1   10    7   42 o   22.430   2.7342   61.900   14.182   61.900   14.182   0.0000   0.0000   22.430   2.7342  ?   ?  0.000000 2.734242 
1 1 1   10    7   43 o   3.9268   1.6000   0.7000   2.3367   0.7000   2.3367   0.0000   0.0000   3.9268   1.6000  ?   ?  0.000000 1.600020 
1 1 1   10    7   44 o   13.524   2.4607   22.800   7.5688   22.800   7.5688   0.0000   0.0000   13.524   2.4607  ?   ?  0.000000 2.460714 
1 1 1   10    7   45 o   5.2755   1.8742   2.9000   2.9323   2.9000   2.9323   0.0000   0.0000   5.2755   1.8742  ?   ?  0.000000 1.874226 
1 1 1   10    7   46 o   36.282   3.6148  168.200   30.557  168.200   30.557   0.0000   0.0000   36.282   3.6148  ?   ?  0.000000 3.614785 
1 1 1   10    7   47 o   21.025   2.7344   55.500   13.254   55.500   13.254   0.0000   0.0000   21.025   2.7344  ?   ?  0.000000 2.734404 
1 1 1   10    7   48 o   25.021   2.9531   79.700   17.111   79.700   17.111   0.0000   0.0000   25.021   2.9531  ?   ?  0.000000 2.953062 
1 1 1   10    7   49 o   23.928   2.9288   73.300   16.203   73.300   16.203   0.0000   0.0000   23.928   2.9288  ?   ?  0.000000 2.928812 
1 1 1   10    7   50 o   5.9711   2.0736   4.0000   3.5755   4.0000   3.5755   0.0000   0.0000   5.9711   2.0736  ?   ?  0.000000 2.073630 
1 1 1   10    7   51 o   19.134   2.7126   47.200   11.913   47.200   11.913   0.0000   0.0000   19.134   2.7126  ?   ?  0.000000 2.712563 
1 1 1   10    7   52 o   20.839   2.8587   57.500   13.697   57.500   13.697   0.0000   0.0000   20.839   2.8587  ?   ?  0.000000 2.858737 
1 1 1   10    7   53 o   21.104   2.9461   61.300   14.281   61.300   14.281   0.0000   0.0000   21.104   2.9461  ?   ?  0.000000 2.946121 
1 1 1   10    7   54 o   11.282   2.6332   17.900   6.8872   17.900   6.8872   0.0000   0.0000   11.282   2.6332  ?   ?  0.000000 2.633223 
1 1 1   10    7   55 o   5.6974   2.0796   3.8000   3.6392   3.8000   3.6392   0.0000   0.0000   5.6974   2.0796  ?   ?  0.000000 2.079601 
1 1 1   10    7   56 o   5.9446   2.3356   3.7000   4.7957   3.7000   4.7957   0.0000   0.0000   5.9446   2.3356  ?   ?  0.000000 2.335591 
1 1 1   10    8    0 o  151.069   11.710  2755.40  411.954  2755.40  411.954  2755.40  411.954  151.069   11.710  151.069   11.710 0.000000 0.000000 
1 1 1   10    8    1 o  145.186   7.7640  2506.39  265.213  2602.80  375.095  2410.00  375.040  147.475   10.847  141.796   11.295 5.679459 15.65982 
1 1 1   10    8    2 o   65.746   3.7237  512.495   57.573  531.300   81.430  493.700   81.411   66.816   5.2021   64.371   5.4059 2.444473 7.502419 
1 1 1   10    8    3 o  212.925   11.356  5418.58  568.929  5700.70  804.547  5136.40  804.628  217.206   15.794  205.838   16.698 11.36806 22.98448 
1 1 1   10    8    4 f  251.079   13.416  7565.48  792.524  7605.00  1120.32  7525.90  1121.27  249.666   19.149  248.304   19.274 1.361511 27.16957 
1 1 1   10    8    5 o  156.978   8.3517  2933.63  308.466  3284.10  436.281  2583.30  436.194  165.587   11.224  146.448   12.740 19.13846 16.97930 
1 1 1   10    8    6 o  237.092   12.556  6741.69  700.457  7714.80  990.729  5769.10  990.464  252.195   16.731  216.842   19.554 35.35271 25.73494 
1 1 1   10    8    7 o   71.462   4.0273  605.722   67.683  618.100   95.634  593.300   95.802   72.032   5.6683   70.547   5.8023 1.484245 8.111458 
1 1 1   10    8    8 o  163.434   8.5265  3183.48  327.922  2905.60  463.404  3462.20  464.100  155.204   12.757  169.790   11.646 -14.58569 17.27347 
1 1 1   10    8    9 o  492.751   44.075 34352.00  5074.23   0.0000   0.0000 34352.00  5074.23  ?   ?   492.751   44.075 0.000000 44.07486 
1 1 1   10    8   10 o  335.717   17.699 13791.24  1398.14 15395.00  1978.69 12192.10  1975.84  349.603   24.116  308.131   27.442 41.47183 36.53316 
1 1 1   10    8   11 o  193.184   10.370  4473.91  471.308  4593.70  666.361  4354.00  666.699  194.329   14.629  188.996   15.064 5.332932 20.99816 
1 1 1   10    8   12 o   94.537   5.1645  1061.85  114.853  1058.90  162.309  1064.80  162.545   94.102   7.3631   94.367   7.3525 -0.2653122 10.40548 
1 1 1   10    8   13 o  146.797   8.1376  2574.25  280.980  2854.10  396.974  2293.30  397.759  153.878   10.998  137.457   12.387 16.42116 16.56487 
1 1 1   10    8   14 o  106.686   5.5123  1353.09  138.394  1567.10  195.928  1140.00  195.509  114.560   7.2806   97.397   8.5888 17.16297 11.25937 
1 1 1   10    8   15 o  173.413   9.0535  3603.35  369.444  4141.90  522.715  3065.80  522.232  184.945   12.035  158.232   14.125 26.71332 18.55679 
1 1 1   10    8   16 o  266.869   15.035  8732.07  943.625  9634.60  1333.22  7826.10  1335.76  275.975   20.607  246.394   23.232 29.58038 31.05459 
1 1 1   10    8   17 o  269.198   15.017  8898.45  950.786  9384.50  1342.96  8410.00  1346.27  271.484   21.115  255.659   22.531 15.82509 30.87824 
1 1 1   10    8   18 o  133.624   7.2326  2133.05  227.365  2149.60  321.050  2116.40  322.037  133.359   10.274  132.283   10.393 1.075287 14.61430 
1 1 1   10    8   19 o  123.692   6.6959  1825.97  194.846  1941.10  275.530  1710.80  275.579  126.937   9.2560  118.955   9.9007 7.982704 13.55346 
1 1 1   10    8   20 o  127.541   6.8845  1942.85  206.573  2036.50  292.146  1849.20  292.132  129.900   9.5920  123.604   10.097 6.296463 13.92686 
1 1 1   10    8   21 o  108.174   5.9852  1395.48  152.290  1448.10  214.910  1342.40  215.836  109.690   8.3601  105.493   8.7432 4.197372 12.09689 
1 1 1   10    8   22 o   73.174   4.1730  636.564   71.806  666.300  101.355  606.600  101.743   74.636   5.7963   71.140   6.1161 3.496803 8.426403 
1 1 1   10    8   23 o  133.543   7.4614  2138.98  234.349  2439.50  331.126  1837.40  331.714  141.808   9.9515  122.361   11.620 19.44756 15.29882 
1 1 1   10    8   24 o  135.616   7.5604  2210.24  241.148  2371.70  340.522  2047.80  341.551  139.421   10.418  129.121   11.316 10.30006 15.38179 
1 1 1   10    8   25 o  158.652   8.8623  3050.77  330.687  3325.90  467.137  2774.40  468.188  163.841   12.161  148.775   13.473 15.06660 18.14972 
1 1 1   10    8   26 o  173.224   9.4596  3666.47  385.475  3643.50  544.172  3689.60  546.120  169.595   13.705  170.705   13.663 -1.110107 19.35210 
1 1 1   10    8   27 o   16.935   1.7066   34.247   6.7316   34.900   9.5413   33.600   9.4985   16.998   2.4477   16.666   2.4900 0.3323326 3.491591 
1 1 1   10    8   28 o   34.820   2.2699  144.140   18.561  132.600   26.182  155.800   26.318   33.245   3.3822   36.103   3.1177 -2.857552 4.599938 
1 1 1   10    8   29 o   53.389   3.0835  339.643   38.709  320.100   54.593  359.400   54.892   51.548   4.5310   54.698   4.2841 -3.149757 6.235682 
1 1 1   10    8   30 o   75.786   4.2259  689.141   75.326  664.200  106.296  714.300  106.760   73.740   6.1609   76.571   5.9512 -2.831291 8.565862 
1 1 1   10    8   31 o   33.991   2.2929  137.650   18.297  137.500   25.864  137.800   25.887   33.815   3.2804   33.852   3.2795 -0.3742599E-01 4.638549 
1 1 1   10    8   32 o   62.556   3.6515  469.746   53.706  488.400   75.858  451.000   76.044   63.299   5.1190   60.720   5.3586 2.578556 7.410678 
1 1 1   10    8   33 o   61.880   3.5787  459.972   52.068  493.700   73.666  426.300   73.605   63.633   4.9414   58.943   5.3464 4.689640 7.280170 
1 1 1   10    8   34 f   79.959   4.5764  776.619   86.049  824.400  121.605  728.700  121.779   81.334   6.3829   76.142   6.8462 5.192085 9.360119 
1 1 1   10    8   35 o   48.944   2.9366  287.151   33.783  323.600   47.808  250.800   47.745   51.665   3.9486   45.254   4.5287 6.410995 6.008439 
1 1 1   10    8   36 o   58.560   3.4531  413.814   47.538  480.000   67.222  347.600   67.236   62.588   4.5802   52.790   5.4733 9.797878 7.136908 
1 1 1   10    8   37 o   68.805   4.0361  577.479   65.290  643.900   92.279  510.900   92.388   71.712   5.4911   63.296   6.2635 8.416046 8.329682 
1 1 1   10    8   38 o   23.104   1.8733   63.926   10.132   69.300   14.362   58.600   14.298   23.917   2.5840   21.912   2.8293 2.004557 3.831732 
1 1 1   10    8   39 f   29.275   1.9257  102.630   13.238  132.300   18.807   73.500   18.636   33.129   2.4209   24.385   3.3228 8.743214 4.111186 
1 1 1   10    8   40 o   33.291   3.3123  136.500   25.693  136.500   25.693   0.0000   0.0000   33.291   3.3123  ?   ?  0.000000 3.312330 
1 1 1   10    8   41 o   9.7917   2.4001   12.000   5.5066   12.000   5.5066   0.0000   0.0000   9.7917   2.4001  ?   ?  0.000000 2.400138 
1 1 1   10    8   42 o   26.057   2.9207   83.700   17.661   83.700   17.661   0.0000   0.0000   26.057   2.9207  ?   ?  0.000000 2.920678 
1 1 1   10    8   43 f   10.798   2.3536   14.600   5.8317   14.600   5.8317   0.0000   0.0000   10.798   2.3536  ?   ?  0.000000 2.353644 
1 1 1   10    8   44 o   26.977   2.9775   90.200   18.651   90.200   18.651   0.0000   0.0000   26.977   2.9775  ?   ?  0.000000 2.977476 
1 1 1   10    8   45 o   2.3100   1.0570  -0.9000   1.2949  -0.9000   1.2949   0.0000   0.0000   2.3100   1.0570  ?   ?  0.000000 1.057033 
1 1 1   10    8   46 o   7.5908   2.2758   7.1000   4.4023   7.1000   4.4023   0.0000   0.0000   7.5908   2.2758  ?   ?  0.000000 2.275822 
1 1 1   10    8   47 o   13.878   2.4812   24.300   7.8327   24.300   7.8327   0.0000   0.0000   13.878   2.4812  ?   ?  0.000000 2.481221 
1 1 1   10    8   48 o   29.762   3.2258  114.000   22.308  114.000   22.308   0.0000   0.0000   29.762   3.2258  ?   ?  0.000000 3.225758 
1 1 1   10    8   49 o   39.984   4.0577  216.400   37.780  216.400   37.780   0.0000   0.0000   39.984   4.0577  ?   ?  0.000000 4.057680 
1 1 1   10    8   50 f   26.718   3.0854   92.600   19.108   92.600   19.108   0.0000   0.0000   26.718   3.0854  ?   ?  0.000000 3.085356 
1 1 1   10    8   51 o   8.4915   2.2855   9.3000   4.6838   9.3000   4.6838   0.0000   0.0000   8.4915   2.2855  ?   ?  0.000000 2.285466 
1 1 1   10    8   52 o   17.843   2.6973   42.000   11.010   42.000   11.010   0.0000   0.0000   17.843   2.6973  ?   ?  0.000000 2.697320 
1 1 1   10    8   53 o   5.5070   1.9813   3.4000   3.2869   3.4000   3.2869   0.0000   0.0000   5.5070   1.9813  ?   ?  0.000000 1.981331 
1 1 1   10    8   54 o   12.002   2.6193   20.200   7.2147   20.200   7.2147   0.0000   0.0000   12.002   2.6193  ?   ?  0.000000 2.619295 
1 1 1   10    8   55 o   6.3884   2.5530   4.2000   5.8215   4.2000   5.8215   0.0000   0.0000   6.3884   2.5530  ?   ?  0.000000 2.552953 
1 1 1   10    8   56 o   9.2043   2.8642   12.800   6.8891   12.800   6.8891   0.0000   0.0000   9.2043   2.8642  ?   ?  0.000000 2.864246 
1 1 1   10    9    0 o  244.933   18.968  7305.20  1081.94  7305.20  1081.94  7305.20  1081.94  244.933   18.968  244.933   18.968 -0.000000 0.000000 
1 1 1   10    9    1 o   98.357   5.3447  1148.08  123.667  1083.10  174.862  1213.10  174.920   95.234   7.8456  100.883   7.3943 -5.649689 10.78092 
1 1 1   10    9    2 o  179.770   9.5463  3853.48  403.788  4053.40  571.217  3653.80  570.868  183.566   13.267  174.046   14.009 9.519943 19.29421 
1 1 1   10    9    3 o  322.156   17.585 12591.39  1332.65 13262.70  1883.05 11917.80  1886.24  326.546   24.601  308.458   26.142 18.08783 35.89772 
1 1 1   10    9    4 o  318.088   16.755 12254.11  1254.08 13561.10  1774.44 10949.80  1772.63  331.176   22.830  295.691   25.641 35.48474 34.33175 
1 1 1   10    9    5 o   71.772   4.0250  610.950   67.940  610.100   96.097  611.800   96.065   71.555   5.7355   71.657   5.7252 -0.1013641 8.103907 
1 1 1   10    9    6 o  213.609   11.368  5464.52  571.345  5389.80  807.569  5539.40  808.439  210.557   16.371  213.557   16.151 -3.000198 22.99694 
1 1 1   10    9    7 o  154.995   8.2949  2862.85  302.493  2870.90  427.843  2854.80  427.736  154.484   11.818  154.040   11.850 0.4436340 16.73602 
1 1 1   10    9    8 o   49.675   2.9696  292.651   34.674  302.400   49.034  282.900   49.039   50.394   4.1577   48.715   4.3074 1.679214 5.986651 
1 1 1   10    9    9 o   37.476   2.3224  166.555   20.450  194.300   28.971  139.000   28.872   40.431   3.0571   34.094   3.6425 6.337414 4.755399 
1 1 1   10    9   10 o   90.913   4.8577  981.285  103.906  1117.10  147.035  845.800  146.856   96.823   6.4682   84.041   7.4782 12.78197 9.887467 
1 1 1   10    9   11 o   78.330   4.3661  728.368   80.437  748.600  113.704  708.100  113.805   79.209   6.1267   76.998   6.3148 2.210777 8.798464 
1 1 1   10    9   12 o  169.991   9.0875  3458.06  363.461  3937.30  514.035  2978.90  513.990  180.505   12.130  156.248   14.082 24.25717 18.58628 
1 1 1   10    9   13 o  180.830   9.9887  3924.90  424.867  4537.20  600.510  3311.20  601.196  193.308   13.235  164.043   15.712 29.26480 20.54384 
1 1 1   10    9   14 f   85.116   4.6947  860.703   93.994  872.600  132.908  848.800  132.947   85.443   6.6395   84.247   6.7393 1.196243 9.460482 
1 1 1   10    9   15 o   90.429   5.1595  972.565  109.716  1082.80  154.906  861.600  155.418   95.165   6.9412   84.669   7.8633 10.49570 10.48862 
1 1 1   10    9   16 o  160.611   8.8064  3092.69  332.718  3280.20  470.043  2904.40  471.028  164.295   12.203  154.227   13.056 10.06868 17.87115 
1 1 1   10    9   17 o   39.595   2.4982  186.029   23.238  206.500   32.881  165.600   32.846   41.645   3.3725   37.215   3.7907 4.430660 5.073771 
1 1 1   10    9   18 o   71.717   4.0668  610.953   68.588  695.500   96.967  526.300   97.028   76.367   5.4122   66.248   6.2774 10.11970 8.288418 
1 1 1   10    9   19 o   14.685   1.6275   25.785   5.5485   27.000   7.8959   24.600   7.7986   14.940   2.3129   14.232   2.4064 0.7083492 3.337676 
1 1 1   10    9   20 o  198.307   10.745  4757.33  501.262  5012.70  708.777  4501.80  709.005  201.314   15.018  190.184   15.934 11.12933 21.89617 
1 1 1   10    9   21 o   98.061   5.1252  1144.47  118.265  1355.60  167.383  934.000  167.122  106.463   6.6921   87.992   8.1353 18.47166 10.53412 
1 1 1   10    9   22 f  162.941   8.8337  3196.33  338.618  3216.40  477.942  3176.10  479.820  161.859   12.604  160.768   12.743 1.090225 17.92378 
1 1 1   10    9   23 o  218.064   12.238  5834.61  627.631  6427.60  886.850  5239.60  888.361  225.239   16.795  201.453   18.896 23.78612 25.28064 
1 1 1   10    9   24 o  127.883   7.0482  1962.80  212.018  2034.80  299.328  1890.30  300.352  129.217   9.8849  124.343   10.323 4.873466 14.29224 
1 1 1   10    9   25 o  146.800   8.2091  2606.65  283.425  2825.40  400.325  2386.80  401.325  151.279   11.288  138.343   12.417 12.93526 16.78105 
1 1 1   10    9   26 o   24.594   1.9453   71.963   11.205   79.500   15.832   64.400   15.860   25.781   2.6378   23.127   2.9729 2.653494 3.974441 
1 1 1   10    9   27 o   70.521   4.0779  593.560   67.618  625.100   95.385  561.700   95.869   72.026   5.6536   68.160   6.0182 3.866257 8.257271 
1 1 1   10    9   28 o   44.644   2.7900  237.247   29.265  258.900   41.342  215.500   41.431   46.491   3.7991   42.314   4.2021 4.176640 5.664854 
1 1 1   10    9   29 o   25.238   1.9401   75.830   11.473   91.700   16.236   60.000   16.216   27.699   2.5095   22.249   3.1767 5.450012 4.048313 
1 1 1   10    9   30 o   53.546   3.2172  342.415   40.490  362.500   57.169  322.200   57.354   54.821   4.4548   51.584   4.7623 3.237041 6.521154 
1 1 1   10    9   31 o   56.427   3.3170  380.948   44.002  380.300   62.155  381.600   62.301   55.996   4.7452   56.092   4.7483 -0.9524155E-01 6.712928 
1 1 1   10    9   32 o   78.778   4.5221  750.379   83.769  778.100  118.194  722.400  118.743   79.327   6.3633   76.254   6.6614 3.072525 9.212294 
1 1 1   10    9   33 o   38.453   2.4944  176.550   22.528  188.700   31.859  164.400   31.859   39.566   3.4443   36.847   3.7121 2.718315 5.063903 
1 1 1   10    9   34 o   58.868   3.4500  416.700   47.749  416.900   67.477  416.500   67.578   58.333   4.9452   58.300   4.9558 0.3287125E-01 7.001083 
1 1 1   10    9   35 o   62.019   3.5093  463.403   51.182  516.800   72.517  410.400   72.249   64.973   4.7596   57.577   5.3762 7.396778 7.180350 
1 1 1   10    9   36 o   72.357   4.2346  638.064   72.037  715.900  101.802  560.000  101.951   75.694   5.7382   66.315   6.5981 9.379433 8.744241 
1 1 1   10    9   37 o   10.511   1.6757   13.436   4.0194   11.600   5.7418   15.200   5.6286   9.6732   2.4967   11.100   2.2249 -1.426800 3.344240 
1 1 1   10    9   38 o   15.411   1.6219   28.519   5.8135   37.400   8.2835   19.900   8.1608   17.600   2.0304   12.626   2.8095 4.973555 3.466425 
1 1 1   10    9   39 o   40.041   2.6189  193.749   24.625  211.500   34.778  175.900   34.874   41.436   3.5898   37.577   3.9913 3.858997 5.368154 
1 1 1   10    9   40 o   21.965   1.8339   57.958   9.4247   69.700   13.352   46.300   13.305   23.967   2.3912   19.315   3.0157 4.652042 3.848715 
1 1 1   10    9   41 o   19.868   1.7384   47.460   8.0736   56.200   11.478   38.900   11.359   21.499   2.2964   17.702   2.8114 3.796989 3.630027 
1 1 1   10    9   42 o   32.359   3.2813  129.900   24.726  129.900   24.726   0.0000   0.0000   32.359   3.2813  ?   ?  0.000000 3.281306 
1 1 1   10    9   43 o   18.179   2.5739   40.800   10.740   40.800   10.740   0.0000   0.0000   18.179   2.5739  ?   ?  0.000000 2.573864 
1 1 1   10    9   44 o   46.009   4.2856  271.900   46.025  271.900   46.025   0.0000   0.0000   46.009   4.2856  ?   ?  0.000000 4.285625 
1 1 1   10    9   45 o   13.514   2.4950   22.900   7.6684   22.900   7.6684   0.0000   0.0000   13.514   2.4950  ?   ?  0.000000 2.494962 
1 1 1   10    9   46 o   23.671   2.8369   70.200   15.541   70.200   15.541   0.0000   0.0000   23.671   2.8369  ?   ?  0.000000 2.836893 
1 1 1   10    9   47 o   17.284   2.5960   37.600   10.268   37.600   10.268   0.0000   0.0000   17.284   2.5960  ?   ?  0.000000 2.596029 
1 1 1   10    9   48 o   16.465   2.5975   34.400   9.7643   34.400   9.7643   0.0000   0.0000   16.465   2.5975  ?   ?  0.000000 2.597511 
1 1 1   10    9   49 f   26.862   3.0890   93.000   19.237   93.000   19.237   0.0000   0.0000   26.862   3.0890  ?   ?  0.000000 3.088988 
1 1 1   10    9   50 o   20.031   2.7218   51.400   12.541   51.400   12.541   0.0000   0.0000   20.031   2.7218  ?   ?  0.000000 2.721785 
1 1 1   10    9   51 o  ?   ?   -3.4000   0.7897  -3.4000   0.7897   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10    9   52 o   4.1203   1.6951   0.8000   2.6543   0.8000   2.6543   0.0000   0.0000   4.1203   1.6951  ?   ?  0.000000 1.695069 
1 1 1   10    9   53 o   10.702   2.5941   15.800   6.4872   15.800   6.4872   0.0000   0.0000   10.702   2.5941  ?   ?  0.000000 2.594079 
1 1 1   10    9   54 f   6.7880   2.2734   6.0000   4.2897   6.0000   4.2897   0.0000   0.0000   6.7880   2.2734  ?   ?  0.000000 2.273354 
1 1 1   10    9   55 o   15.867   3.0446   37.600   10.992   37.600   10.992   0.0000   0.0000   15.867   3.0446  ?   ?  0.000000 3.044635 
1 1 1   10    9   56 f   9.8708   2.6808   14.400   6.4101   14.400   6.4101   0.0000   0.0000   9.8708   2.6808  ?   ?  0.000000 2.680795 
1 1 1   10   10    0 o   11.614   2.8310   18.500   6.7266   18.500   6.7266   18.500   6.7266   11.614   2.8310   11.614   2.8310 0.000000 0.000000 
1 1 1   10   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   10    2 o  128.701   6.8938  1969.20  208.749  2039.40  295.316  1899.10  295.116  130.559   9.6472  125.899   10.009 4.660255 13.90172 
1 1 1   10   10    3 o  137.915   7.3993  2262.85  240.091  2313.70  339.527  2212.00  339.552  138.949   10.424  135.794   10.675 3.154648 14.92052 
1 1 1   10   10    4 o  109.257   5.8363  1417.71  150.029  1326.90  212.012  1508.80  212.335  105.318   8.6001  112.434   8.0509 -7.116219 11.78042 
1 1 1   10   10    5 o  211.934   11.233  5380.11  560.169  5761.00  792.450  4999.70  791.947  217.949   15.499  202.523   16.709 15.42612 22.79043 
1 1 1   10   10    6 o  179.441   9.5310  3845.99  402.402  3590.50  568.901  4101.80  569.263  172.171   14.117  184.387   13.161 -12.21675 19.30042 
1 1 1   10   10    7 o  160.726   8.5774  3081.77  324.362  3124.60  459.433  3039.20  458.004  161.011   12.174  158.745   12.315 2.266464 17.31614 
1 1 1   10   10    8 o  172.614   9.2125  3560.39  374.149  3641.60  529.312  3479.30  528.941  173.561   13.010  169.533   13.320 4.028259 18.61920 
1 1 1   10   10    9 o  201.822   10.793  4887.68  512.496  5431.80  724.792  4343.60  724.765  211.412   14.608  188.203   16.474 23.20920 22.01805 
1 1 1   10   10   10 o  272.965   14.721  9056.44  945.339  9880.80  1336.96  8232.20  1336.86  281.638   20.238  255.473   22.386 26.16539 30.17829 
1 1 1   10   10   11 o   22.590   1.8227   60.669   9.6402   66.500   13.670   54.900   13.597   23.592   2.4914   21.376   2.7580 2.215624 3.716732 
1 1 1   10   10   12 o   34.112   2.2797  138.096   18.257  150.400   25.824  125.800   25.815   35.532   3.1091   32.437   3.4219 3.095669 4.623411 
1 1 1   10   10   13 o   56.260   3.2755  375.549   43.327  371.300   61.265  379.800   61.282   55.795   4.6936   56.441   4.6391 -0.6461639 6.599327 
1 1 1   10   10   14 o  157.878   8.4129  2982.68  312.510  3312.50  442.034  2653.10  441.877  165.512   11.379  147.563   12.808 17.94843 17.13295 
1 1 1   10   10   15 o   71.351   4.0412  604.545   67.809  616.700   95.722  592.300   96.073   71.867   5.6869   70.401   5.8315 1.466011 8.145446 
1 1 1   10   10   16 o  242.563   13.391  7171.40  764.062  7527.00  1079.41  6814.30  1081.69  244.864   18.812  232.085   19.931 12.77861 27.40667 
1 1 1   10   10   17 o   85.807   4.8410  875.529   97.688  980.700  138.035  770.000  138.270   90.585   6.4963   80.053   7.3983 10.53275 9.845607 
1 1 1   10   10   18 o   63.099   3.6189  472.714   53.696  513.100   75.925  432.300   75.951   65.598   4.9377   60.116   5.4083 5.482746 7.323277 
1 1 1   10   10   19 o  251.603   13.738  7753.33  813.142  8356.50  1149.88  7150.00  1150.04  257.025   19.082  236.161   20.836 20.86469 28.25364 
1 1 1   10   10   20 o  154.436   8.3137  2861.89  302.066  3041.90  427.203  2681.90  427.169  158.088   11.523  148.067   12.329 10.02101 16.87603 
1 1 1   10   10   21 o   20.363   1.7130   49.336   8.1607   55.300   11.604   43.500   11.479   21.505   2.3220   19.001   2.6288 2.503696 3.507397 
1 1 1   10   10   22 o  160.833   8.5639  3113.05  324.072  3523.00  458.418  2703.50  458.195  169.865   11.496  147.887   13.262 21.97864 17.55100 
1 1 1   10   10   23 o   37.334   2.3420  165.442   20.542  186.100   29.092  144.900   29.010   39.528   3.1427   34.793   3.5822 4.734741 4.765394 
1 1 1   10   10   24 o   59.826   3.5932  425.681   50.525  479.100   71.300  371.800   71.608   63.310   4.8052   55.602   5.5272 7.707512 7.323888 
1 1 1   10   10   25 o  114.470   6.4231  1573.78  172.917  1697.00  244.167  1449.80  244.919  118.012   8.8258  108.700   9.6419 9.311913 13.07134 
1 1 1   10   10   26 o  136.161   7.6320  2247.47  244.400  2403.30  345.115  2090.70  346.156  139.181   10.580  129.224   11.463 9.956665 15.59924 
1 1 1   10   10   27 o   41.279   2.5977  202.641   25.192  200.000   35.566  205.300   35.687   40.852   3.7280   41.400   3.6891 -0.5482903 5.244792 
1 1 1   10   10   28 o  120.895   6.6533  1775.66  189.206  1767.50  266.961  1783.90  268.199  118.840   9.5949  119.394   9.5939 -0.5535812 13.56853 
1 1 1   10   10   29 o   25.141   1.9970   75.304   11.758   80.000   16.535   70.500   16.722   25.817   2.7548   24.179   2.9928 1.638041 4.067644 
1 1 1   10   10   30 o   63.890   3.7252  488.974   55.957  510.400   78.999  467.400   79.272   64.845   5.2030   61.944   5.4758 2.900471 7.553545 
1 1 1   10   10   31 o   38.779   2.4125  179.219   21.982  163.800   30.958  194.900   31.219   36.849   3.6040   40.287   3.3110 -3.437603 4.893987 
1 1 1   10   10   32 o   44.455   2.6566  235.898   27.760  212.700   39.132  259.400   39.388   41.909   4.0029   46.416   3.6223 -4.507210 5.398578 
1 1 1   10   10   33 o   21.686   1.8454   56.147   9.3603   58.400   13.245   53.900   13.229   22.003   2.5994   21.105   2.7177 0.8984394 3.760732 
1 1 1   10   10   34 o   70.646   4.0864  603.959   67.878  623.100   95.846  584.700   96.143   70.916   5.7737   68.556   5.9993 2.360252 8.326315 
1 1 1   10   10   35 o   18.833   1.6899   42.387   7.4352   55.700   10.560   29.300   10.470   21.550   2.1020   15.398   2.9873 6.151459 3.652705 
1 1 1   10   10   36 o   50.838   3.1609  311.373   37.758  372.300   53.344  250.200   53.452   55.236   4.1194   44.800   5.1461 10.43629 6.591816 
1 1 1   10   10   37 o   21.403   1.8432   54.853   9.2249   59.400   13.042   50.300   13.050   22.146   2.5399   20.298   2.7969 1.847616 3.778007 
1 1 1   10   10   38 o   36.014   2.4079  155.964   20.359  170.000   28.778  141.900   28.806   37.319   3.2996   33.944   3.6513 3.375038 4.921334 
1 1 1   10   10   39 o   19.135   1.7964   44.010   8.0219   49.900   11.335   38.100   11.355   20.250   2.4183   17.552   2.8363 2.697939 3.727271 
1 1 1   10   10   40 o   31.648   2.2267  120.749   16.535  120.500   23.345  121.000   23.422   31.274   3.2065   31.338   3.2104 -0.6386375E-01 4.537436 
1 1 1   10   10   41 o   25.355   1.9567   77.411   11.625   94.700   16.459   60.200   16.421   27.889   2.5266   21.942   3.2692 5.946808 4.131767 
1 1 1   10   10   42 o   7.9315   1.7316   7.8007   3.1522   6.5000   4.5511   9.0000   4.3702   7.3849   2.3326   8.4928   2.1709 -1.107891 3.186513 
1 1 1   10   10   43 o   26.692   1.9796   85.934   12.388   99.900   17.593   72.200   17.447   28.567   2.6379   24.061   3.1462 4.506208 4.105680 
1 1 1   10   10   44 o   14.317   1.4016   24.645   4.6778   40.000   6.8194   11.000   6.4286   18.233   1.6001   9.3909   2.7335 8.841768 3.167395 
1 1 1   10   10   45 o   28.181   3.0766   99.500   20.141   99.500   20.141   0.0000   0.0000   28.181   3.0766  ?   ?  0.000000 3.076561 
1 1 1   10   10   46 o   6.2464   2.0840   4.5000   3.6048   4.5000   3.6048   0.0000   0.0000   6.2464   2.0840  ?   ?  0.000000 2.083984 
1 1 1   10   10   47 o   6.3878   2.1538   4.7000   3.8506   4.7000   3.8506   0.0000   0.0000   6.3878   2.1538  ?   ?  0.000000 2.153783 
1 1 1   10   10   48 o   12.184   2.4965   19.000   6.9411   19.000   6.9411   0.0000   0.0000   12.184   2.4965  ?   ?  0.000000 2.496466 
1 1 1   10   10   49 o   18.900   2.6910   45.500   11.671   45.500   11.671   0.0000   0.0000   18.900   2.6910  ?   ?  0.000000 2.691033 
1 1 1   10   10   50 o   15.259   2.5810   29.900   8.9682   29.900   8.9682   0.0000   0.0000   15.259   2.5810  ?   ?  0.000000 2.581043 
1 1 1   10   10   51 o   5.4285   1.9693   3.1000   3.2562   3.1000   3.2562   0.0000   0.0000   5.4285   1.9693  ?   ?  0.000000 1.969315 
1 1 1   10   10   52 o   2.7837   1.2684  -1.1000   1.8397  -1.1000   1.8397   0.0000   0.0000   2.7837   1.2684  ?   ?  0.000000 1.268442 
1 1 1   10   10   53 o   15.010   2.6713   31.000   9.1209   31.000   9.1209   0.0000   0.0000   15.010   2.6713  ?   ?  0.000000 2.671289 
1 1 1   10   10   54 o   5.8452   2.0269   4.2000   3.4156   4.2000   3.4156   0.0000   0.0000   5.8452   2.0269  ?   ?  0.000000 2.026922 
1 1 1   10   10   55 o  ?   ?   -9.9000   2.4398  -9.9000   2.4398   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   10   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   11    0 o  279.559   21.791  9591.90  1418.39  9591.90  1418.39  9591.90  1418.39  279.559   21.791  279.559   21.791 -0.000000 0.000000 
1 1 1   10   11    1 o  279.660   15.024  9453.34  988.520  9496.10  1398.11  9410.60  1397.84  276.949   21.548  275.632   21.651 1.317291 30.54648 
1 1 1   10   11    2 o  164.603   8.1536  3219.01  316.921  3803.90  448.804  2637.30  447.585  178.220   10.714  147.751   12.960 30.46883 16.81510 
1 1 1   10   11    3 o  286.502   15.098  9929.88  1017.83 10829.20  1440.28  9032.70  1438.57  296.147   20.726  269.078   22.857 27.06964 30.85510 
1 1 1   10   11    4 o   94.291   5.0894  1055.47  112.899  936.100  159.579  1175.10  159.749   88.450   7.7177   99.299   6.8549 -10.84850 10.32238 
1 1 1   10   11    5 o  145.898   7.8228  2536.19  268.527  2547.30  379.875  2525.10  379.634  145.547   11.137  144.897   11.182 0.6497803 15.78220 
1 1 1   10   11    6 o  206.281   11.190  5105.95  543.011  4916.10  768.945  5294.80  766.927  200.573   16.378  208.483   15.693 -7.909332 22.68329 
1 1 1   10   11    7 o  304.201   15.630 11253.41  1118.97 12365.40  1586.54 10152.80  1578.41  314.933   21.462  283.528   23.796 31.40482 32.04436 
1 1 1   10   11    8 o   42.962   2.6410  218.923   26.663  242.400   37.729  195.500   37.685   45.136   3.5690   40.457   3.9969 4.678711 5.358475 
1 1 1   10   11    9 o  159.708   8.3079  3045.38  312.232  3442.00  441.910  2650.00  441.216  169.094   11.130  147.808   12.767 21.28642 16.93676 
1 1 1   10   11   10 o  245.428   13.245  7293.11  764.741  7451.90  1081.29  7134.20  1081.72  245.034   18.832  239.439   19.296 5.594711 26.96214 
1 1 1   10   11   11 o  147.566   8.1065  2601.46  281.393  2982.60  397.737  2219.50  398.164  157.361   10.769  135.110   12.626 22.25081 16.59472 
1 1 1   10   11   12 o  170.271   9.0400  3472.03  362.168  3815.20  512.313  3129.20  512.053  177.471   12.301  160.157   13.671 17.31381 18.39001 
1 1 1   10   11   13 o   55.356   3.2236  363.591   41.955  389.500   59.343  337.700   59.323   57.182   4.4295   53.178   4.7751 4.004185 6.513204 
1 1 1   10   11   14 o  182.927   10.046  4024.55  432.272  4616.50  611.039  3431.50  611.610  194.617   13.377  166.640   15.729 27.97688 20.64844 
1 1 1   10   11   15 o   93.263   5.0890  1034.30  111.650  1019.60  157.646  1049.10  158.150   92.249   7.2966   93.597   7.2111 -1.348381 10.25864 
1 1 1   10   11   16 o  255.699   14.189  8002.57  853.394  8410.10  1205.45  7593.10  1208.32  257.781   19.959  243.843   21.196 13.93803 29.11385 
1 1 1   10   11   17 o   40.568   2.5751  195.314   24.540  209.300   34.688  181.300   34.722   41.910   3.5382   38.951   3.8245 2.958820 5.210111 
1 1 1   10   11   18 f   96.193   5.1347  1100.73  116.211  1039.40  163.991  1162.60  164.706   93.061   7.5270   98.535   7.1269 -5.473579 10.36572 
1 1 1   10   11   19 o  104.660   5.6965  1305.00  140.253  1381.00  198.347  1229.00  198.350  107.242   7.8878  101.021   8.3909 6.220978 11.51625 
1 1 1   10   11   20 o   97.004   5.3073  1120.66  121.110  1133.20  171.241  1108.10  171.311   97.129   7.5249   96.021   7.6180 1.107880 10.70782 
1 1 1   10   11   21 o   13.167   1.5296   20.755   4.6673   24.300   6.6929   17.400   6.5118   14.193   2.0570   11.920   2.3966 2.272749 3.158289 
1 1 1   10   11   22 o   92.319   5.0663  1015.50  110.023  1124.50  155.598  906.500  155.594   96.811   6.8506   86.683   7.6811 10.12846 10.29221 
1 1 1   10   11   23 o   97.059   5.2937  1123.92  120.868  1233.70  170.956  1014.20  170.910  101.270   7.1958   91.567   7.9842 9.702965 10.74834 
1 1 1   10   11   24 o   56.548   3.2890  380.096   43.729  383.400   61.878  376.800   61.805   56.603   4.6713   56.104   4.7087 0.4987106 6.632719 
1 1 1   10   11   25 o   43.078   2.5808  220.427   26.132  245.700   37.010  195.300   36.902   45.384   3.4799   40.368   3.9207 5.015587 5.242301 
1 1 1   10   11   26 o   54.558   3.2951  354.395   42.252  400.100   59.659  308.400   59.848   57.802   4.4040   50.575   5.0799 7.226654 6.723182 
1 1 1   10   11   27 o  115.515   6.5815  1616.51  178.781  1838.60  252.575  1393.50  253.093  122.013   8.8260  105.291   10.312 16.72202 13.57323 
1 1 1   10   11   28 o   7.0989   1.6488   6.2002   2.7109   1.2000   3.7793   11.500   3.8908   5.0368   2.0413   9.7103   1.7618 -4.673523 2.696441 
1 1 1   10   11   29 o   62.838   3.6509  472.343   53.939  479.700   76.063  464.900   76.502   62.923   5.1647   61.902   5.2843 1.021763 7.389062 
1 1 1   10   11   30 o   57.031   3.3681  389.087   45.157  395.900   63.689  382.200   64.037   57.164   4.7616   56.123   4.8806 1.040886 6.818559 
1 1 1   10   11   31 o   46.208   2.7260  254.818   29.613  229.500   41.730  280.500   42.029   43.542   4.1072   48.275   3.7155 -4.733040 5.538398 
1 1 1   10   11   32 o   32.159   2.2193  123.340   16.750  121.900   23.604  124.800   23.773   31.802   3.1860   32.185   3.1692 -0.3830681 4.493768 
1 1 1   10   11   33 o   89.536   5.1449  979.719  108.320  1031.70  152.941  927.400  153.436   90.433   7.2222   85.349   7.6960 5.084473 10.55411 
1 1 1   10   11   34 o   11.995   1.6532   17.367   4.5581   14.900   6.4034   19.900   6.4897   10.971   2.5242   12.757   2.2359 -1.785881 3.372060 
1 1 1   10   11   35 o   54.936   3.2789  363.421   42.341  373.500   59.818  353.300   59.942   55.167   4.6348   53.578   4.7883 1.589806 6.664043 
1 1 1   10   11   36 o   30.909   2.2016  114.328   15.964  140.700   22.564   87.900   22.588   34.168   2.8218   26.735   3.6751 7.433231 4.633512 
1 1 1   10   11   37 o   64.236   3.8045  503.913   57.450  581.900   81.214  425.800   81.280   68.179   5.0810   57.574   6.0700 10.60511 7.915927 
1 1 1   10   11   38 o   43.335   2.7733  227.008   28.230  255.400   39.884  198.500   39.964   45.554   3.7407   39.854   4.3156 5.700703 5.711129 
1 1 1   10   11   39 o   21.092   1.8253   53.431   9.0015   63.300   12.743   43.600   12.718   22.840   2.3984   18.760   2.9697 4.080280 3.817297 
1 1 1   10   11   40 o   26.932   2.0423   87.339   12.891   99.600   18.239   75.100   18.223   28.558   2.7383   24.603   3.2135 3.955490 4.221968 
1 1 1   10   11   41 o   12.451   1.6818   18.819   4.8180   22.300   6.8441   15.400   6.7836   13.450   2.2333   11.064   2.6344 2.385817 3.453632 
1 1 1   10   11   42 o   25.583   1.9925   78.939   11.941   86.600   16.900   71.300   16.876   26.564   2.7331   23.965   3.0514 2.599579 4.096433 
1 1 1   10   11   43 o   27.828   2.0385   93.517   13.302  109.000   18.863   78.200   18.761   29.811   2.7092   24.997   3.2555 4.813341 4.235347 
1 1 1   10   11   44 o   36.857   3.6140  171.600   31.050  171.600   31.050   0.0000   0.0000   36.857   3.6140  ?   ?  0.000000 3.614033 
1 1 1   10   11   45 o   4.2357   1.5273   1.7991   1.9542   1.3000   2.9282   2.2000   2.6241   4.5479   1.8128   4.7897   1.7632 -0.2417774 2.528919 
1 1 1   10   11   46 o   21.988   2.7521   60.600   13.976   60.600   13.976   0.0000   0.0000   21.988   2.7521  ?   ?  0.000000 2.752131 
1 1 1   10   11   47 o   36.323   3.6780  172.600   31.111  172.600   31.111   0.0000   0.0000   36.323   3.6780  ?   ?  0.000000 3.677960 
1 1 1   10   11   48 o   6.9660   2.1108   6.0000   3.7722   6.0000   3.7722   0.0000   0.0000   6.9660   2.1108  ?   ?  0.000000 2.110769 
1 1 1   10   11   49 o   6.3458   2.1303   4.7000   3.7670   4.7000   3.7670   0.0000   0.0000   6.3458   2.1303  ?   ?  0.000000 2.130314 
1 1 1   10   11   50 o   3.9511   1.6643   0.3000   2.6482   0.3000   2.6482   0.0000   0.0000   3.9511   1.6643  ?   ?  0.000000 1.664343 
1 1 1   10   11   51 o   4.1174   1.7125   0.6000   2.7505   0.6000   2.7505   0.0000   0.0000   4.1174   1.7125  ?   ?  0.000000 1.712526 
1 1 1   10   11   52 o   7.5686   2.2390   7.5000   4.2823   7.5000   4.2823   0.0000   0.0000   7.5686   2.2390  ?   ?  0.000000 2.239023 
1 1 1   10   11   53 o   10.076   2.5444   14.100   6.0551   14.100   6.0551   0.0000   0.0000   10.076   2.5444  ?   ?  0.000000 2.544434 
1 1 1   10   11   54 o   8.2452   2.8602   9.6000   6.8017   9.6000   6.8017   0.0000   0.0000   8.2452   2.8602  ?   ?  0.000000 2.860236 
1 1 1   10   11   55 o   2.8891   1.3689  -2.7000   2.4951  -2.7000   2.4951   0.0000   0.0000   2.8891   1.3689  ?   ?  0.000000 1.368905 
1 1 1   10   12    0 o   54.747   4.6605  361.900   59.246  361.900   59.246  361.900   59.246   54.747   4.6605   54.747   4.6605 0.000000 0.000000 
1 1 1   10   12    1 o  178.027   9.4641  3787.06  396.430  3474.70  560.510  4099.70  560.763  169.250   14.155  184.313   12.967 -15.06267 19.19622 
1 1 1   10   12    2 o  305.646   15.566 11336.50  1119.74  9325.90  1582.06 13354.70  1585.05  271.408   24.965  328.588   20.531 -57.17944 32.32304 
1 1 1   10   12    3 f   77.185   4.2519  706.883   77.197  771.300  109.231  642.600  109.116   80.475   5.7867   73.343   6.3635 7.132141 8.601120 
1 1 1   10   12    4 o  216.188   11.580  5614.50  588.999  5599.80  832.863  5629.20  833.077  213.984   16.613  214.566   16.571 -0.5823669 23.46440 
1 1 1   10   12    5 o   75.283   4.2652  672.666   75.510  618.800  106.902  726.300  106.673   71.954   6.3571   78.067   5.8286 -6.113014 8.624748 
1 1 1   10   12    6 o  206.456   10.801  5114.75  524.718  5376.30  744.215  4856.20  739.930  210.098   15.102  199.314   15.852 10.78387 21.89414 
1 1 1   10   12    7 o   60.201   3.4040  429.871   48.192  473.700   68.216  386.200   68.093   63.092   4.6107   56.873   5.1254 6.219265 6.894064 
1 1 1   10   12    8 o  138.631   7.4314  2291.36  242.385  2355.60  342.887  2227.20  342.682  139.910   10.454  135.945   10.763 3.964615 15.00432 
1 1 1   10   12    9 o   92.500   4.7265  1015.79  102.894  1185.60  145.778  847.200  145.251   99.765   6.2190   84.092   7.3898 15.67381 9.658394 
1 1 1   10   12   10 o  197.576   10.629  4692.36  494.070  4500.90  698.831  4883.70  698.611  191.547   15.585  199.886   14.908 -8.338684 21.56757 
1 1 1   10   12   11 o  206.139   11.018  5117.39  534.381  5934.30  755.871  4301.10  755.587  220.435   14.604  186.201   17.386 34.23404 22.70551 
1 1 1   10   12   12 o  128.764   6.9648  1977.44  210.984  2074.80  298.315  1880.00  298.437  131.300   9.6901  124.817   10.215 6.482697 14.07993 
1 1 1   10   12   13 o  299.475   16.378 11057.85  1153.80 12252.10  1631.76  9863.70  1631.69  309.612   22.472  274.754   25.438 34.85831 33.94271 
1 1 1   10   12   14 o  316.450   17.952 12471.19  1335.97 13459.40  1887.60 11479.30  1891.11  321.026   25.100  293.453   27.616 27.57248 37.31810 
1 1 1   10   12   15 o  166.858   9.2024  3343.19  361.184  3772.40  510.442  2912.80  511.139  176.127   12.351  153.910   14.225 22.21754 18.83898 
1 1 1   10   12   16 o  128.707   7.0918  1978.57  214.706  2108.70  303.266  1847.80  304.017  132.215   9.7830  123.510   10.524 8.705582 14.36908 
1 1 1   10   12   17 o  103.565   5.6446  1277.20  137.520  1276.90  194.145  1277.50  194.820  103.107   8.0375  103.125   8.0645 -0.1821136E-01 11.38589 
1 1 1   10   12   18 o  168.204   9.0853  3400.90  359.521  3415.90  507.592  3385.80  509.290  167.056   12.969  166.265   13.077 0.7906799 18.41777 
1 1 1   10   12   19 o  108.616   5.9117  1406.56  151.052  1483.40  213.600  1329.70  213.641  111.063   8.2026  104.999   8.6948 6.063889 11.95336 
1 1 1   10   12   20 o  157.204   8.4957  2970.18  314.203  3051.40  444.261  2888.90  444.441  157.982   11.998  153.534   12.364 4.448044 17.22847 
1 1 1   10   12   21 o  214.753   11.498  5624.80  580.963  5294.60  821.044  5955.90  822.167  204.384   17.171  217.720   16.106 -13.33568 23.54274 
1 1 1   10   12   22 o  157.309   8.5196  2984.06  315.292  3091.00  445.862  2877.10  445.919  158.510   12.001  152.649   12.480 5.860992 17.31388 
1 1 1   10   12   23 o  142.327   7.7524  2440.46  259.565  2551.40  366.983  2329.40  367.177  144.174   10.859  137.451   11.416 6.723343 15.75586 
1 1 1   10   12   24 o   46.664   2.7799  258.684   30.493  282.600   43.183  234.900   43.064   48.659   3.7881   44.280   4.1676 4.379021 5.631890 
1 1 1   10   12   25 o   88.151   4.8720  928.997  101.021  913.700  142.849  944.300  142.882   86.842   7.0262   88.331   6.9051 -1.489151 9.851332 
1 1 1   10   12   26 o  103.658   5.6458  1291.83  137.674  1368.60  194.791  1215.20  194.610  105.834   7.8504   99.467   8.3632 6.366425 11.47043 
1 1 1   10   12   27 o   17.640   1.7382   37.157   7.1462   39.900   10.093   34.400   10.120   18.196   2.4081   16.837   2.6315 1.359035 3.567080 
1 1 1   10   12   28 o   98.761   5.5818  1179.58  129.641  1269.20  183.107  1089.50  183.573  101.389   7.7057   93.511   8.4032 7.877617 11.40141 
1 1 1   10   12   29 o   43.852   2.8242  229.396   29.089  260.600   41.042  197.900   41.235   46.575   3.7639   40.408   4.3922 6.166790 5.784315 
1 1 1   10   12   30 o   70.146   3.9887  591.311   65.796  585.500   92.739  597.200   93.365   69.162   5.7301   69.863   5.7094 -0.7009048 8.088944 
1 1 1   10   12   31 o   68.556   3.9817  565.741   64.181  585.700   90.559  545.600   90.973   69.125   5.5960   66.592   5.8444 2.533035 8.091460 
1 1 1   10   12   32 o   51.819   3.1185  321.675   37.981  327.900   53.605  315.400   53.823   51.951   4.4114   50.907   4.5246 1.043922 6.319239 
1 1 1   10   12   33 o   11.874   1.6343   17.013   4.4607   15.800   6.2167   18.300   6.4042   11.316   2.4009   12.212   2.3054 -0.8959208 3.328535 
1 1 1   10   12   34 o   15.097   1.6876   27.350   5.9131   29.000   8.3625   25.700   8.3625   15.437   2.3697   14.482   2.5378 0.9552002 3.472212 
1 1 1   10   12   35 o   78.026   4.4653  743.843   81.930  741.800  115.665  745.900  116.070   76.538   6.4602   76.746   6.4649 -0.2085190 9.139397 
1 1 1   10   12   36 o   21.320   1.8632   54.429   9.2862   65.400   13.115   43.400   13.150   23.284   2.4208   18.773   3.0728 4.511160 3.911783 
1 1 1   10   12   37 o   47.836   2.9764  276.657   33.455  286.800   47.180  266.400   47.445   48.165   4.1899   46.307   4.3914 1.857986 6.069597 
1 1 1   10   12   38 o   71.209   4.1942  629.671   70.214  672.900   99.273  586.400   99.322   71.938   5.8958   66.602   6.3939 5.336189 8.697217 
1 1 1   10   12   39 o   27.687   2.0675   92.200   13.420  109.900   18.978   74.500   18.978   30.057   2.7028   24.487   3.3716 5.570274 4.321223 
1 1 1   10   12   40 o   17.468   1.7207   36.742   7.0056   47.600   9.9343   26.000   9.8807   19.806   2.1591   14.362   3.0097 5.443829 3.704040 
1 1 1   10   12   41 f   22.044   1.8684   58.529   9.6346   66.600   13.644   50.500   13.607   23.349   2.5142   20.164   2.9445 3.184433 3.871900 
1 1 1   10   12   42 o   22.320   1.8020   59.960   9.4164   82.100   13.375   38.200   13.260   26.031   2.1964   17.335   3.3605 8.695648 4.014628 
1 1 1   10   12   43 o   37.687   2.4862  172.825   22.001  202.400   31.128  143.300   31.101   40.358   3.2950   33.513   4.0097 6.845055 5.189876 
1 1 1   10   12   44 o   32.288   2.2681  126.791   17.183  125.000   24.243  128.600   24.359   31.554   3.3026   32.029   3.2665 -0.4750252 4.645103 
1 1 1   10   12   45 o   22.422   1.8636   60.931   9.7775   72.800   13.868   49.200   13.787   24.305   2.4497   19.694   3.0643 4.611195 3.923126 
1 1 1   10   12   46 o   27.291   3.0465   94.200   19.298   94.200   19.298   0.0000   0.0000   27.291   3.0465  ?   ?  0.000000 3.046484 
1 1 1   10   12   47 o   46.824   4.6318  302.400   50.542  302.400   50.542   0.0000   0.0000   46.824   4.6318  ?   ?  0.000000 4.631792 
1 1 1   10   12   48 o   17.631   2.6340   39.500   10.630   39.500   10.630   0.0000   0.0000   17.631   2.6340  ?   ?  0.000000 2.634017 
1 1 1   10   12   49 o   22.383   2.8326   64.200   14.637   64.200   14.637   0.0000   0.0000   22.383   2.8326  ?   ?  0.000000 2.832635 
1 1 1   10   12   50 o   6.8768   2.1974   5.8000   4.0297   5.8000   4.0297   0.0000   0.0000   6.8768   2.1974  ?   ?  0.000000 2.197371 
1 1 1   10   12   51 o   20.066   2.7945   53.100   12.882   53.100   12.882   0.0000   0.0000   20.066   2.7945  ?   ?  0.000000 2.794486 
1 1 1   10   12   52 o   5.8328   2.0778   3.9000   3.6063   3.9000   3.6063   0.0000   0.0000   5.8328   2.0778  ?   ?  0.000000 2.077807 
1 1 1   10   12   53 o   5.3915   2.0446   3.0000   3.5825   3.0000   3.5825   0.0000   0.0000   5.3915   2.0446  ?   ?  0.000000 2.044594 
1 1 1   10   12   54 o   5.8630   2.4151   2.7000   5.3963   2.7000   5.3963   0.0000   0.0000   5.8630   2.4151  ?   ?  0.000000 2.415051 
1 1 1   10   12   55 o   3.0851   1.5003  -5.5000   3.4760  -5.5000   3.4760   0.0000   0.0000   3.0851   1.5003  ?   ?  0.000000 1.500320 
1 1 1   10   13    0 o   16.509   2.6638   34.600   9.5734   34.600   9.5734   34.600   9.5734   16.509   2.6638   16.509   2.6638 -0.000000 0.000000 
1 1 1   10   13    1 o   75.220   4.1513  671.382   73.451  613.200  103.815  729.700  103.936   71.645   6.1974   78.269   5.6618 -6.624405 8.394284 
1 1 1   10   13    2 o  110.374   5.9856  1448.51  155.421  1413.90  219.836  1483.10  219.761  108.629   8.6416  111.312   8.4232 -2.682686 12.06760 
1 1 1   10   13    3 o  252.101   13.573  7686.77  805.037  7631.40  1138.67  7742.10  1138.32  248.032   19.601  249.931   19.441 -1.899033 27.60703 
1 1 1   10   13    4 o  158.377   8.4439  2995.14  314.648  2720.30  444.894  3270.20  445.065  149.842   12.693  164.737   11.514 -14.89473 17.13692 
1 1 1   10   13    5 o  244.910   13.136  7251.22  756.924  7474.50  1070.76  7028.20  1070.15  245.837   18.582  237.980   19.207 7.856842 26.72472 
1 1 1   10   13    6 o  120.348   6.3796  1723.56  180.651  1865.00  255.696  1582.60  255.264  124.787   8.7325  114.744   9.5066 10.04283 12.90858 
1 1 1   10   13    7 o   98.243   5.3426  1147.12  123.477  1171.40  174.745  1122.90  174.501   98.963   7.5343   96.855   7.6932 2.108780 10.76807 
1 1 1   10   13    8 o  290.136   15.763 10294.39  1075.89 10415.60  1521.59 10173.20  1521.50  286.666   22.663  283.038   22.963 3.627655 32.26294 
1 1 1   10   13    9 o  152.954   8.1984  2795.42  295.032  2844.40  417.349  2746.50  417.127  153.387   11.609  150.644   11.821 2.743042 16.56789 
1 1 1   10   13   10 o  252.949   13.453  7771.35  800.650  8393.50  1132.92  7150.60  1131.66  259.668   18.600  238.415   20.294 21.25327 27.52822 
1 1 1   10   13   11 o   75.385   4.0373  674.530   71.608  769.600  101.467  580.200  101.072   80.384   5.3766   69.627   6.2126 10.75645 8.216068 
1 1 1   10   13   12 o  184.243   10.021  4081.62  434.320  4430.50  613.900  3732.00  614.544  190.497   13.740  174.159   15.092 16.33780 20.40969 
1 1 1   10   13   13 o   25.809   1.9755   79.154   11.948   90.900   16.894   67.400   16.900   27.608   2.6230   23.674   3.0975 3.933859 4.058852 
1 1 1   10   13   14 o   74.149   4.2270  653.165   73.706  696.100  104.096  610.000  104.375   76.352   5.8174   71.380   6.2555 4.972725 8.542474 
1 1 1   10   13   15 o  120.356   6.5892  1727.97  186.556  1779.40  263.403  1676.20  264.259  121.546   9.2467  117.863   9.5777 3.682907 13.31294 
1 1 1   10   13   16 o   69.036   3.9333  566.053   63.855  579.400   90.126  552.600   90.485   69.651   5.5250   67.987   5.6885 1.664391 7.930012 
1 1 1   10   13   17 o  196.698   10.669  4675.70  493.688  4721.60  697.071  4629.50  699.294  195.368   15.230  193.316   15.448 2.051926 21.69331 
1 1 1   10   13   18 o   53.175   3.1433  335.654   39.294  336.500   55.433  334.800   55.707   53.098   4.4625   52.959   4.4972 0.1394310 6.335455 
1 1 1   10   13   19 o  153.665   8.2602  2834.91  298.629  3093.40  422.357  2576.50  422.292  159.415   11.293  144.940   12.460 14.47502 16.81589 
1 1 1   10   13   20 o   68.529   3.8702  558.048   62.372  597.800   88.210  518.300   88.206   70.740   5.3196   65.774   5.7365 4.966240 7.823439 
1 1 1   10   13   21 o   74.132   4.1461  653.594   72.288  678.600  102.242  628.600  102.219   75.286   5.7957   72.399   6.0341 2.886230 8.366633 
1 1 1   10   13   22 o   60.310   3.4771  432.302   49.308  435.700   69.710  428.900   69.755   60.348   4.9350   59.865   4.9797 0.4831238 7.010818 
1 1 1   10   13   23 o   98.264   5.3874  1153.95  124.530  1150.20  176.066  1157.70  176.157   97.493   7.7107   97.819   7.6883 -0.3257294 10.88877 
1 1 1   10   13   24 o   26.947   1.9966   86.330   12.614   89.000   17.907   83.700   17.772   27.270   2.8216   26.427   2.8953 0.8429012 4.042753 
1 1 1   10   13   25 o  155.237   8.5044  2944.59  310.560  3081.00  439.221  2808.20  439.176  156.247   11.996  148.617   12.634 7.630157 17.42203 
1 1 1   10   13   26 o  101.142   5.5698  1231.20  132.512  1254.30  187.411  1208.10  187.390  101.128   7.9111   99.161   8.0729 1.966614 11.30296 
1 1 1   10   13   27 o  112.714   6.2114  1540.50  164.684  1538.70  232.977  1542.30  232.819  111.097   8.9568  111.239   8.9388 -0.1419907 12.65411 
1 1 1   10   13   28 o   22.940   1.9064   62.721   10.233   59.500   14.521   65.900   14.424   22.207   2.8336   23.417   2.6554 -1.210018 3.883361 
1 1 1   10   13   29 o  101.735   5.7242  1259.47  136.956  1281.90  193.167  1236.80  194.207  101.119   8.1593   99.163   8.3721 1.955643 11.69041 
1 1 1   10   13   30 o   73.799   4.1764  655.926   72.482  649.200  102.323  662.700  102.688   72.660   6.0178   73.437   5.9734 -0.7773209 8.479161 
1 1 1   10   13   31 o   28.864   2.0676   99.315   13.999   92.700   19.746  106.000   19.851   27.717   3.0684   29.699   2.8662 -1.981840 4.198836 
1 1 1   10   13   32 o   52.136   3.0729  325.597   37.664  313.900   53.035  337.500   53.499   50.784   4.4680   52.717   4.3362 -1.932159 6.226173 
1 1 1   10   13   33 o   31.205   2.1682  116.218   15.878  107.300   22.414  125.200   22.495   29.775   3.2402   32.244   2.9883 -2.468788 4.407856 
1 1 1   10   13   34 o   39.149   2.5275  183.403   23.241  183.800   32.743  183.000   32.993   38.927   3.6030   38.830   3.6408 0.9660339E-01 5.122197 
1 1 1   10   13   35 o   34.161   2.1948  139.453   17.611  121.700   24.736  157.700   25.078   31.639   3.3624   36.166   2.9625 -4.526991 4.481325 
1 1 1   10   13   36 o   54.890   3.2871  364.758   42.410  407.200   59.971  322.300   59.982   57.425   4.4575   50.721   5.0762 6.703960 6.755567 
1 1 1   10   13   37 o   86.969   5.1098  952.226  104.477  1110.40  147.717  793.900  147.789   91.692   6.8724   75.511   8.4323 16.18041 10.87819 
1 1 1   10   13   38 o   45.320   2.8853  249.234   30.717  269.300   43.351  229.000   43.531   46.563   3.9810   42.692   4.3801 3.870270 5.918919 
1 1 1   10   13   39 o   35.743   2.3984  154.297   20.125  166.800   28.464  141.800   28.458   36.805   3.3106   33.775   3.6249 3.030441 4.909113 
1 1 1   10   13   40 o   7.3749   1.7669   6.7517   3.0366   6.9000   4.2707   6.6000   4.3187   7.5246   2.2383   7.3953   2.2623 0.1293201 3.182421 
1 1 1   10   13   41 o   37.526   2.5478  171.097   22.442  203.200   31.690  138.800   31.786   40.511   3.3426   33.001   4.1722 7.509808 5.346077 
1 1 1   10   13   42 o   22.783   1.9115   62.608   10.188   65.800   14.391   59.400   14.427   23.130   2.6846   21.904   2.8572 1.226009 3.920572 
1 1 1   10   13   43 o   58.711   3.3488  428.269   46.234  592.700   65.451  264.500   65.319   68.297   4.0770   43.120   6.6271 25.17685 7.780767 
1 1 1   10   13   44 o   22.853   1.9426   63.299   10.384   79.100   14.662   47.400   14.708   25.372   2.4790   19.247   3.3583 6.125118 4.174119 
1 1 1   10   13   45 o   5.2607   1.6692   3.2712   2.3284   6.2000   3.3394   0.5000   3.2483   7.0563   1.9427   4.4361   1.8544 2.620182 2.685658 
1 1 1   10   13   46 o   36.515   3.6801  173.400   31.299  173.400   31.299   0.0000   0.0000   36.515   3.6801  ?   ?  0.000000 3.680096 
1 1 1   10   13   47 o   4.6171   1.8387   1.4000   3.0095   1.4000   3.0095   0.0000   0.0000   4.6171   1.8387  ?   ?  0.000000 1.838657 
1 1 1   10   13   48 o   33.333   3.5089  145.700   27.205  145.700   27.205   0.0000   0.0000   33.333   3.5089  ?   ?  0.000000 3.508941 
1 1 1   10   13   49 o   8.2577   2.3353   8.7000   4.7572   8.7000   4.7572   0.0000   0.0000   8.2577   2.3353  ?   ?  0.000000 2.335343 
1 1 1   10   13   50 o   17.024   2.6476   37.500   10.297   37.500   10.297   0.0000   0.0000   17.024   2.6476  ?   ?  0.000000 2.647576 
1 1 1   10   13   51 o   8.4524   2.3755   9.4000   4.9383   9.4000   4.9383   0.0000   0.0000   8.4524   2.3755  ?   ?  0.000000 2.375541 
1 1 1   10   13   52 o   9.2438   2.4206   11.600   5.3462   11.600   5.3462   0.0000   0.0000   9.2438   2.4206  ?   ?  0.000000 2.420626 
1 1 1   10   13   53 o   6.8461   2.5234   5.7000   5.3770   5.7000   5.3770   0.0000   0.0000   6.8461   2.5234  ?   ?  0.000000 2.523426 
1 1 1   10   13   54 o   5.8094   2.2827   3.4000   4.5812   3.4000   4.5812   0.0000   0.0000   5.8094   2.2827  ?   ?  0.000000 2.282676 
1 1 1   10   13   55 o   3.6566   1.7101  -2.9000   3.6749  -2.9000   3.6749   0.0000   0.0000   3.6566   1.7101  ?   ?  0.000000 1.710137 
1 1 1   10   14    0 o  248.890   19.449  7613.70  1127.01  7613.70  1127.01  7613.70  1127.01  248.890   19.449  248.890   19.449 0.000000 0.000000 
1 1 1   10   14    1 f   66.053   3.7056  517.633   57.566  554.000   81.485  481.400   81.336   68.201   5.0965   63.502   5.4777 4.698830 7.481951 
1 1 1   10   14    2 o  191.516   9.4432  4378.80  427.057  5000.70  605.840  3764.60  602.077  203.399   12.677  175.663   14.648 27.73508 19.37206 
1 1 1   10   14    3 o  162.082   8.5775  3139.03  327.123  3247.10  463.640  3031.90  461.611  163.919   12.063  158.245   12.454 5.674408 17.33824 
1 1 1   10   14    4 o  217.490   11.388  5692.11  582.832  6393.90  824.741  4992.00  823.757  228.820   15.353  201.040   17.528 27.78036 23.30065 
1 1 1   10   14    5 o  213.913   11.489  5510.40  578.208  5460.10  817.745  5560.70  817.673  210.736   16.567  212.762   16.402 -2.025543 23.31235 
1 1 1   10   14    6 o   49.186   2.9404  286.990   33.995  262.400   48.067  311.600   48.086   46.878   4.3935   51.162   4.0125 -4.283169 5.950012 
1 1 1   10   14    7 o  195.294   10.465  4582.65  480.864  4507.90  679.824  4657.50  680.265  191.893   15.125  195.182   14.872 -3.289154 21.21186 
1 1 1   10   14    8 o   10.052   1.4757   12.190   3.3986   19.000   4.8848   5.8000   4.7315   12.571   1.6883   7.2019   2.3868 5.368665 2.923585 
1 1 1   10   14    9 f   67.908   3.6952  547.167   59.031  627.600   83.605  467.200   83.362   72.616   4.9045   62.498   5.7117 10.11749 7.528437 
1 1 1   10   14   10 o  179.479   9.3904  3864.07  396.594  4246.60  561.366  3482.90  560.374  186.946   12.793  168.656   14.203 18.28912 19.11521 
1 1 1   10   14   11 o  101.696   4.9675  1225.78  119.291  1496.50  169.149  957.900  168.262  112.042   6.4201   89.266   8.0697 22.77577 10.31199 
1 1 1   10   14   12 o   71.708   4.0551  610.638   68.382  645.500   96.655  575.700   96.760   73.545   5.6078   69.379   5.9641 4.165466 8.186491 
1 1 1   10   14   13 o  170.193   9.2125  3477.41  368.860  3900.80  521.550  3053.70  521.742  179.113   12.408  157.667   14.165 21.44559 18.83065 
1 1 1   10   14   14 o  139.201   7.2851  2314.49  238.633  2141.00  336.797  2489.40  338.165  132.935   10.823  143.654   10.032 -10.71854 14.75735 
1 1 1   10   14   15 f   88.216   4.9194  925.511  102.067  999.400  144.237  851.400  144.453   91.403   6.7301   84.215   7.3373 7.187675 9.956403 
1 1 1   10   14   16 o  239.436   12.797  6987.00  720.907  6776.80  1017.35  7199.00  1021.69  231.713   18.754  239.286   18.219 -7.573273 26.14652 
1 1 1   10   14   17 o   85.141   4.7926  862.305   95.961  944.900  135.583  779.400  135.837   88.870   6.5061   80.536   7.2194 8.333687 9.718489 
1 1 1   10   14   18 o  108.752   6.0005  1410.81  153.499  1472.00  216.802  1349.30  217.360  110.571   8.3654  105.728   8.7857 4.842552 12.13130 
1 1 1   10   14   19 o   69.390   3.9033  572.132   63.697  599.500   90.110  544.800   90.051   70.830   5.4289   67.458   5.7068 3.372246 7.876562 
1 1 1   10   14   20 o  114.475   6.2156  1565.95  167.388  1564.70  236.595  1567.20  236.850  113.729   8.8804  113.820   8.8827 -0.9072113E-01 12.56041 
1 1 1   10   14   21 o   93.130   5.1549  1034.31  112.922  1092.80  159.618  975.700  159.773   95.308   7.1443   89.917   7.5960 5.391762 10.42788 
1 1 1   10   14   22 o   45.918   2.7091  250.355   29.244  295.700   41.401  205.200   41.314   49.826   3.5419   41.355   4.2932 8.470989 5.565670 
1 1 1   10   14   23 o  137.188   7.4482  2272.22  240.381  2458.60  339.981  2085.90  339.918  141.352   10.255  129.628   11.215 11.72438 15.19738 
1 1 1   10   14   24 o   43.055   2.6293  220.302   26.604  241.400   37.666  199.300   37.580   44.958   3.5776   40.766   3.9536 4.192051 5.331959 
1 1 1   10   14   25 o   50.263   2.9773  300.624   35.180  284.800   49.712  316.500   49.793   48.695   4.3698   51.397   4.1377 -2.701660 6.017970 
1 1 1   10   14   26 o  154.067   8.5358  2929.35  309.326  3047.60  437.453  2811.10  437.453  153.827   12.142  147.124   12.717 6.703171 17.58237 
1 1 1   10   14   27 o   80.330   4.3073  773.689   81.406  893.300  115.251  654.600  114.999   85.848   5.7180   73.049   6.7429 12.79942 8.840946 
1 1 1   10   14   28 o   50.171   3.0120  300.356   35.518  297.400   50.285  303.300   50.176   49.644   4.3329   50.151   4.2778 -0.5069084 6.088859 
1 1 1   10   14   29 o  105.363   5.4469  1349.66  135.056  1575.90  191.229  1124.50  190.769  112.665   7.2260   94.074   8.6858 18.59151 11.29858 
1 1 1   10   14   30 o  100.764   5.4515  1238.08  129.230  1333.40  182.973  1143.20  182.546  103.096   7.5688   94.922   8.2254 8.173828 11.17785 
1 1 1   10   14   31 o   61.672   3.5540  456.874   51.537  445.900   72.635  468.000   73.138   60.365   5.1447   61.892   5.0483 -1.527176 7.207815 
1 1 1   10   14   32 o   61.001   3.5901  447.810   51.485  488.800   72.758  406.700   72.864   63.233   4.9113   57.422   5.4385 5.811169 7.327930 
1 1 1   10   14   33 o   26.303   2.0133   82.607   12.409   83.200   17.447   82.000   17.654   26.250   2.8610   26.046   2.9208 0.2042103 4.088562 
1 1 1   10   14   34 f   28.712   2.1125   98.523   14.222  111.200   20.094   85.800   20.131   30.373   2.8344   26.546   3.2814 3.827892 4.336100 
1 1 1   10   14   35 o   38.443   2.4933  177.185   22.511  175.200   31.718  179.200   31.954   37.921   3.5846   38.360   3.5685 -0.4390717 5.058059 
1 1 1   10   14   36 o   56.093   3.4126  382.252   44.986  428.400   63.550  335.900   63.691   58.722   4.6203   51.549   5.3082 7.173027 7.037357 
1 1 1   10   14   37 o   48.010   2.9656  279.409   33.456  285.100   47.278  273.700   47.350   47.871   4.2258   46.839   4.3301 1.032143 6.050372 
1 1 1   10   14   38 o   50.380   3.1486  309.647   37.269  340.200   52.624  278.900   52.790   52.097   4.3165   46.788   4.8485 5.309414 6.491549 
1 1 1   10   14   39 f   28.643   2.1789   98.960   14.627  121.100   20.635   76.600   20.736   31.495   2.8038   24.684   3.6692 6.811113 4.617834 
1 1 1   10   14   40 o   34.356   2.3122  142.690   18.649  161.700   26.415  123.800   26.332   36.248   3.1164   31.463   3.6095 4.785175 4.768691 
1 1 1   10   14   41 o   38.401   2.5430  179.226   22.929  187.000   32.373  171.400   32.481   38.698   3.5833   36.925   3.7784 1.772846 5.207394 
1 1 1   10   14   42 o   22.680   1.9463   62.126   10.323   70.000   14.529   54.100   14.668   23.878   2.6199   20.800   3.0794 3.077969 4.043108 
1 1 1   10   14   43 o   6.4650   1.7616   5.1680   2.7626   7.2000   3.9917   3.3000   3.8272   7.6198   2.1337   5.8111   2.1309 1.808712 3.015546 
1 1 1   10   14   44 o   21.510   1.8924   56.084   9.5146   80.200   13.446   31.900   13.465   25.628   2.2445   15.584   3.7121 10.04360 4.337882 
1 1 1   10   14   45 o   39.190   3.8481  199.300   35.152  199.300   35.152   0.0000   0.0000   39.190   3.8481  ?   ?  0.000000 3.848109 
1 1 1   10   14   46 o   27.409   3.0584   95.600   19.457   95.600   19.457   0.0000   0.0000   27.409   3.0584  ?   ?  0.000000 3.058352 
1 1 1   10   14   47 o   23.897   2.8811   72.700   15.930   72.700   15.930   0.0000   0.0000   23.897   2.8811  ?   ?  0.000000 2.881124 
1 1 1   10   14   48 o   42.725   4.3090  250.600   42.879  250.600   42.879   0.0000   0.0000   42.725   4.3090  ?   ?  0.000000 4.308953 
1 1 1   10   14   49 f   27.513   3.1326   98.600   19.989   98.600   19.989   0.0000   0.0000   27.513   3.1326  ?   ?  0.000000 3.132583 
1 1 1   10   14   50 o   14.628   2.5573   27.800   8.5116   27.800   8.5116   0.0000   0.0000   14.628   2.5573  ?   ?  0.000000 2.557268 
1 1 1   10   14   51 o   5.7622   2.0300   3.8000   3.4331   3.8000   3.4331   0.0000   0.0000   5.7622   2.0300  ?   ?  0.000000 2.029998 
1 1 1   10   14   52 o   2.3528   1.1377  -3.0000   1.9261  -3.0000   1.9261   0.0000   0.0000   2.3528   1.1377  ?   ?  0.000000 1.137669 
1 1 1   10   14   53 o   9.6741   2.8243   13.600   6.8537   13.600   6.8537   0.0000   0.0000   9.6741   2.8243  ?   ?  0.000000 2.824301 
1 1 1   10   14   54 o  ?   ?  -12.1000   1.3927 -12.1000   1.3927   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   14   55 o   8.0612   2.8157   9.4000   6.5968   9.4000   6.5968   0.0000   0.0000   8.0612   2.8157  ?   ?  0.000000 2.815675 
1 1 1   10   15    0 o  356.162   28.672 16051.10  2375.42 16051.10  2375.42 16051.10  2375.42  356.162   28.672  356.162   28.672 0.000000 0.000000 
1 1 1   10   15    1 o  190.104   10.197  4337.15  456.086  4225.70  645.004  4448.60  645.000  185.980   14.810  191.020   14.405 -5.039734 20.66020 
1 1 1   10   15    2 o  197.019   10.570  4663.40  489.962  4697.80  692.897  4629.00  692.924  196.016   15.086  194.515   15.207 1.501282 21.42021 
1 1 1   10   15    3 o  127.185   6.6307  1926.20  198.451  2149.90  280.967  1703.50  280.338  133.940   8.9347  118.905   10.079 15.03564 13.46923 
1 1 1   10   15    4 o   85.753   4.6805  873.370   94.419  938.300  133.611  808.600  133.446   88.671   6.4247   82.202   6.9397 6.468971 9.457113 
1 1 1   10   15    5 o  233.664   11.449  6563.44  631.723  7956.30  894.585  5178.00  892.202  255.297   14.904  203.780   18.752 51.51729 23.95322 
1 1 1   10   15    6 o  180.113   9.5673  3890.61  405.448  3502.80  573.214  4278.90  573.566  169.169   14.489  187.700   13.021 -18.53113 19.48054 
1 1 1   10   15    7 o   53.465   3.1209  339.126   39.230  368.300   55.502  310.000   55.456   55.616   4.2586   50.949   4.6612 4.667259 6.313617 
1 1 1   10   15    8 o  206.330   10.438  5120.71  506.920  6059.90  717.581  4185.10  716.208  223.061   13.690  183.825   16.681 39.23593 21.57929 
1 1 1   10   15    9 o  222.259   10.611  5933.10  556.906  7366.80  788.895  4508.90  786.280  245.963   13.636  190.199   17.710 55.76349 22.35172 
1 1 1   10   15   10 o   62.599   3.4939  464.996   51.440  428.200   72.498  502.300   72.998   59.875   5.1787   64.932   4.7948 -5.057476 7.057516 
1 1 1   10   15   11 o  168.809   8.9169  3416.79  354.186  3674.30  501.293  3160.10  500.497  173.902   12.286  160.820   13.299 13.08217 18.10570 
1 1 1   10   15   12 o  226.308   12.157  6210.58  647.269  7053.00  915.576  5368.90  915.177  238.729   16.340  206.485   18.982 32.24370 25.04613 
1 1 1   10   15   13 o  183.560   9.8408  4054.32  424.997  3986.80  600.229  4122.20  601.848  180.200   14.221  183.355   14.007 -3.154617 19.96075 
1 1 1   10   15   14 f  153.746   8.3581  2832.57  302.300  3110.10  427.351  2554.60  427.684  160.145   11.375  144.602   12.653 15.54259 17.01389 
1 1 1   10   15   15 o  111.731   5.9820  1487.60  157.255  1407.90  222.044  1567.80  222.741  108.112   8.7734  114.234   8.3145 -6.121956 12.08728 
1 1 1   10   15   16 f  182.198   9.7565  4000.74  418.233  3901.40  590.557  4100.70  592.388  177.927   14.173  182.615   13.840 -4.688095 19.81013 
1 1 1   10   15   17 o   53.854   3.1854  344.322   40.328  394.000   57.019  294.600   57.045   57.510   4.2284   49.588   4.9373 7.921875 6.500457 
1 1 1   10   15   18 f   62.317   3.6278  461.322   53.153  507.500   75.112  415.000   75.229   65.214   4.9137   58.851   5.4762 6.362415 7.357516 
1 1 1   10   15   19 o   49.417   2.9020  289.882   33.715  326.600   47.725  253.300   47.636   52.360   3.8877   46.002   4.4405 6.358002 5.901939 
1 1 1   10   15   20 o   63.116   3.6232  473.465   53.774  506.500   76.031  440.400   76.065   65.103   4.9835   60.618   5.3696 4.485249 7.325845 
1 1 1   10   15   21 o  119.901   6.4294  1722.62  181.371  1928.90  256.575  1516.60  256.420  126.163   8.6649  111.370   9.8520 14.79236 13.12029 
1 1 1   10   15   22 o   27.477   2.0208   89.742   13.020   93.400   18.432   86.100   18.394   27.946   2.8322   26.804   2.9552 1.142149 4.093257 
1 1 1   10   15   23 o   94.501   5.1925  1068.68  115.426  1151.80  163.257  985.600  163.218   97.552   7.1368   89.998   7.7560 7.553947 10.53984 
1 1 1   10   15   24 o   98.115   5.4072  1155.36  124.794  1182.40  176.463  1128.30  176.508   98.472   7.6489   96.101   7.8466 2.371307 10.95789 
1 1 1   10   15   25 o  153.587   8.3759  2899.85  302.626  2766.10  427.655  3034.00  428.300  146.532   12.478  154.112   11.860 -7.579681 17.21557 
1 1 1   10   15   26 o   90.984   5.0350  996.132  107.755  966.600  152.342  1025.70  152.434   88.690   7.3401   91.485   7.1121 -2.795013 10.22050 
1 1 1   10   15   27 o  166.178   9.3932  3480.42  367.087  3636.90  519.105  3323.90  519.174  164.539   13.479  156.205   14.231 8.333359 19.60131 
1 1 1   10   15   28 o   36.748   2.4062  160.900   20.764  160.800   29.357  161.000   29.373   36.564   3.4406   36.587   3.4402 -0.2297974E-01 4.865526 
1 1 1   10   15   29 o   68.674   3.9205  566.851   63.313  566.300   89.628  567.400   89.449   68.009   5.6317   68.083   5.6139 -0.7402039E-01 7.951835 
1 1 1   10   15   30 o   43.794   2.6555  228.948   27.331  243.900   38.719  214.100   38.585   44.986   3.6771   42.067   3.9298 2.919380 5.381842 
1 1 1   10   15   31 o   33.450   2.2677  133.502   17.807  132.800   25.214  134.200   25.150   33.179   3.2604   33.361   3.2332 -0.1816635 4.591697 
1 1 1   10   15   32 o   10.484   1.6569   13.340   3.9658   12.600   5.7759   14.000   5.4549   10.092   2.4486   10.658   2.2387 -0.5656300 3.317775 
1 1 1   10   15   33 o   12.295   1.6985   18.257   4.7993   22.300   6.7405   14.100   6.8351   13.528   2.1844   10.668   2.7085 2.860728 3.479591 
1 1 1   10   15   34 o   34.801   2.3288  144.893   19.027  141.700   26.676  148.200   27.146   34.176   3.3485   34.964   3.3282 -0.7873230 4.721125 
1 1 1   10   15   35 o   56.889   3.4168  392.214   45.686  409.500   64.491  374.800   64.730   57.428   4.7997   54.776   5.0617 2.651951 6.975539 
1 1 1   10   15   36 o   42.097   2.6708  213.545   26.411  212.800   37.227  214.300   37.477   41.584   3.8343   41.726   3.8470 -0.1418762 5.431499 
1 1 1   10   15   37 o   21.163   1.8863   53.815   9.3279   57.500   13.079   50.000   13.308   21.718   2.6020   20.159   2.8771 1.559052 3.879252 
1 1 1   10   15   38 o   77.749   4.6727  764.684   85.388  814.200  120.594  714.900  120.920   77.680   6.6382   71.978   7.2114 5.701660 9.801490 
1 1 1   10   15   39 o   24.244   1.9410   70.737   11.019   82.700   15.591   58.800   15.575   26.051   2.5679   21.752   3.1217 4.298925 4.042218 
1 1 1   10   15   40 o   28.664   2.1726   99.245   14.596  110.000   20.552   88.300   20.733   29.913   2.9479   26.604   3.3762 3.308353 4.482116 
1 1 1   10   15   41 f   17.168   1.7840   35.601   7.1268   46.100   10.055   25.000   10.103   19.451   2.2294   14.025   3.1300 5.425685 3.842758 
1 1 1   10   15   42 o   12.731   1.7140   19.708   5.0218   21.500   7.0863   17.900   7.1176   13.152   2.3689   11.925   2.6009 1.226934 3.518013 
1 1 1   10   15   43 o   44.799   2.8263  247.121   29.746  320.200   42.075  174.100   42.058   50.429   3.5561   35.953   5.0966 14.47589 6.214597 
1 1 1   10   15   44 o   18.709   1.8857   42.561   8.2175   54.400   11.544   30.400   11.700   21.013   2.3678   15.309   3.3313 5.704370 4.087001 
1 1 1   10   15   45 o   55.214   5.3707  428.500   69.137  428.500   69.137   0.0000   0.0000   55.214   5.3707  ?   ?  0.000000 5.370710 
1 1 1   10   15   46 o   36.308   3.6939  172.600   31.229  172.600   31.229   0.0000   0.0000   36.308   3.6939  ?   ?  0.000000 3.693907 
1 1 1   10   15   47 o   17.738   2.6221   39.900   10.652   39.900   10.652   0.0000   0.0000   17.738   2.6221  ?   ?  0.000000 2.622123 
1 1 1   10   15   48 o   20.950   2.7485   56.000   13.269   56.000   13.269   0.0000   0.0000   20.950   2.7485  ?   ?  0.000000 2.748508 
1 1 1   10   15   49 o   28.367   3.2030  105.600   21.079  105.600   21.079   0.0000   0.0000   28.367   3.2030  ?   ?  0.000000 3.202976 
1 1 1   10   15   50 o   9.2259   2.4606   11.200   5.4590   11.200   5.4590   0.0000   0.0000   9.2259   2.4606  ?   ?  0.000000 2.460562 
1 1 1   10   15   51 o   9.6240   2.4795   12.500   5.6698   12.500   5.6698   0.0000   0.0000   9.6240   2.4795  ?   ?  0.000000 2.479533 
1 1 1   10   15   52 o   13.804   2.8302   26.900   8.9156   26.900   8.9156   0.0000   0.0000   13.804   2.8302  ?   ?  0.000000 2.830179 
1 1 1   10   15   53 o   10.852   3.0091   17.600   7.9798   17.600   7.9798   0.0000   0.0000   10.852   3.0091  ?   ?  0.000000 3.009123 
1 1 1   10   15   54 o   10.397   3.0248   16.400   7.8735   16.400   7.8735   0.0000   0.0000   10.397   3.0248  ?   ?  0.000000 3.024759 
1 1 1   10   16    0 o  183.750   14.316  4114.70  612.511  4114.70  612.511  4114.70  612.511  183.750   14.316  183.750   14.316 0.000000 0.000000 
1 1 1   10   16    1 o   48.338   2.9122  277.204   33.086  281.400   46.768  273.000   46.814   48.589   4.1148   47.845   4.1857 0.7440910 5.869559 
1 1 1   10   16    2 o   50.776   2.8945  305.759   34.562  356.700   48.970  255.200   48.786   54.777   3.8096   46.204   4.5297 8.572292 5.918777 
1 1 1   10   16    3 o  111.433   5.9096  1477.55  154.946  1601.10  219.391  1354.60  218.863  115.632   8.0858  106.166   8.8098 9.465668 11.95792 
1 1 1   10   16    4 o   47.217   2.8584  264.500   31.720  245.700   44.859  283.300   44.859   45.362   4.2369   48.773   3.9283 -3.410107 5.777821 
1 1 1   10   16    5 o   89.480   4.7390  951.091   99.774  1071.30  141.314  831.600  140.892   94.764   6.3518   83.297   7.2349 11.46745 9.627527 
1 1 1   10   16    6 o   79.008   4.3559  741.338   80.953  783.900  114.569  698.900  114.401   81.041   6.0300   76.441   6.3966 4.600235 8.790767 
1 1 1   10   16    7 o  252.303   13.667  7751.29  811.186  7799.60  1147.31  7703.00  1147.07  249.113   19.664  247.457   19.796 1.655838 27.90253 
1 1 1   10   16    8 o  101.888   5.5342  1235.12  132.650  1321.70  187.627  1148.60  187.564  105.061   7.6147   97.787   8.1984 7.273445 11.18916 
1 1 1   10   16    9 o  164.050   8.0193  3210.04  310.654  3916.40  439.992  2507.90  438.674  180.305   10.378  143.246   13.114 37.05922 16.72379 
1 1 1   10   16   10 o  100.214   5.4560  1194.94  128.626  1387.00  181.934  1003.00  181.874  107.700   7.1952   91.246   8.5403 16.45425 11.16727 
1 1 1   10   16   11 o  122.072   6.5398  1776.83  187.827  1860.40  265.815  1693.50  265.442  124.353   9.1159  118.500   9.5677 5.853355 13.21517 
1 1 1   10   16   12 o  190.466   10.356  4372.99  464.010  4985.80  656.053  3759.60  656.366  201.818   13.850  173.996   16.160 27.82155 21.28288 
1 1 1   10   16   13 o  217.599   11.672  5737.12  597.533  6858.10  845.199  4617.00  844.879  235.883   15.256  191.136   18.970 44.74670 24.34322 
1 1 1   10   16   14 o  117.644   6.2798  1650.27  173.823  1908.70  245.958  1392.40  245.688  126.101   8.3065  107.246   9.8102 18.85486 12.85450 
1 1 1   10   16   15 f   17.180   1.7033   35.209   6.8189   38.800   9.6997   31.700   9.5880   17.967   2.3419   16.173   2.5986 1.794542 3.498147 
1 1 1   10   16   16 o   50.095   3.0001  297.889   35.325  341.300   49.964  254.500   49.951   53.534   3.9809   46.096   4.6527 7.437366 6.123326 
1 1 1   10   16   17 o  180.791   10.091  3952.94  429.072  4312.00  606.013  3592.00  607.589  186.944   13.826  169.702   15.328 17.24174 20.64208 
1 1 1   10   16   18 o   68.221   3.8671  553.155   62.041  554.400   87.567  551.900   87.913   68.070   5.4946   67.910   5.5303 0.1606827 7.795853 
1 1 1   10   16   19 o   62.745   3.5767  467.830   52.774  502.800   74.655  432.900   74.613   64.878   4.9094   60.108   5.3114 4.769875 7.232774 
1 1 1   10   16   20 o  106.377   5.8218  1352.88  145.687  1434.40  205.998  1271.30  206.066  108.935   8.0655  102.353   8.6058 6.581612 11.79461 
1 1 1   10   16   21 o   44.234   2.7181  232.441   28.253  241.500   39.975  223.400   39.937   44.962   3.8007   43.209   3.9581 1.752426 5.487468 
1 1 1   10   16   22 f   69.410   3.9303  573.956   64.154  612.100   90.719  535.800   90.735   71.405   5.4208   66.693   5.8197 4.712280 7.953244 
1 1 1   10   16   23 o  140.998   7.6486  2414.54  253.706  2636.70  358.885  2192.60  358.704  145.596   10.509  131.958   11.631 13.63838 15.67529 
1 1 1   10   16   24 o   40.959   2.5731  199.535   24.760  210.900   35.040  188.200   34.993   41.976   3.5689   39.600   3.7884 2.376347 5.204720 
1 1 1   10   16   25 o   45.418   2.7644  245.574   29.507  269.700   41.751  221.500   41.707   47.446   3.7572   42.891   4.1707 4.555199 5.613482 
1 1 1   10   16   26 o   89.446   4.9827  963.906  104.824  1022.20  148.236  905.600  148.251   91.284   6.9287   85.664   7.4016 5.619675 10.13854 
1 1 1   10   16   27 o   84.959   4.7181  870.003   94.282  964.900  133.367  775.200  133.302   88.740   6.4077   79.102   7.2159 9.637100 9.650273 
1 1 1   10   16   28 o   51.901   3.0390  321.838   37.083  348.800   52.504  295.000   52.382   53.768   4.1679   49.317   4.5493 4.450470 6.169878 
1 1 1   10   16   29 o   76.943   4.3188  714.318   78.151  674.900  110.477  753.800  110.567   73.846   6.3988   78.267   6.0290 -4.421120 8.791643 
1 1 1   10   16   30 o   34.760   2.3315  144.158   19.026  141.800   26.952  146.500   26.863   34.279   3.3733   34.863   3.3025 -0.5838165 4.720760 
1 1 1   10   16   31 f   96.901   5.4525  1152.35  124.256  1153.30  175.782  1151.40  175.666   94.995   7.9082   94.915   7.9097 0.8010864E-01 11.18494 
1 1 1   10   16   32 o   23.839   1.8870   67.836   10.535   69.800   14.955   65.900   14.844   24.053   2.6784   23.351   2.7444 0.7023373 3.834769 
1 1 1   10   16   33 o   37.063   2.3924  164.275   20.826  170.000   29.517  158.600   29.390   37.476   3.3715   36.158   3.4854 1.318691 4.849190 
1 1 1   10   16   34 f   42.353   2.7313  215.490   27.170  236.200   38.341  194.600   38.507   44.034   3.7222   39.785   4.1603 4.249470 5.582386 
1 1 1   10   16   35 o   53.122   3.1287  341.288   39.073  326.900   55.045  355.900   55.473   51.291   4.5935   53.630   4.4198 -2.338337 6.374521 
1 1 1   10   16   36 o   21.308   1.8269   54.451   9.1033   50.100   12.733   59.000   13.020   20.234   2.7350   22.032   2.5498 -1.798117 3.739161 
1 1 1   10   16   37 o   16.608   1.7083   33.180   6.6041   28.500   9.2246   38.100   9.4589   15.169   2.6729   17.681   2.3216 -2.512370 3.540412 
1 1 1   10   16   38 o   21.113   1.8723   53.642   9.2375   61.400   13.029   45.800   13.099   22.443   2.5009   19.208   2.9850 3.235245 3.894209 
1 1 1   10   16   39 o   35.581   2.3720  153.115   19.816  191.800   28.036  114.500   28.011   39.559   3.0242   30.051   4.0505 9.507650 5.054916 
1 1 1   10   16   40 o   12.041   1.7008   17.637   4.7015   17.200   6.5544   18.100   6.7478   11.730   2.4456   12.037   2.4572 -0.3071241 3.466814 
1 1 1   10   16   41 o   19.231   1.8048   44.615   8.1001   53.900   11.446   35.300   11.465   21.012   2.3470   16.758   3.0078 4.253567 3.815096 
1 1 1   10   16   42 o   45.094   3.0396  250.930   32.178  316.400   45.410  184.900   45.604   50.002   3.8762   37.033   5.3718 12.96953 6.624274 
1 1 1   10   16   43 o   2.8945   1.2492  -0.1709   1.5571   2.8000   2.2503  -2.9000   2.1568   4.9602   1.6462   2.6135   1.2480 2.346662 2.065751 
1 1 1   10   16   44 o   36.899   2.3725  166.746   20.562  222.100   29.146  111.900   29.012   42.211   2.9425   28.965   4.3784 13.24608 5.275255 
1 1 1   10   16   45 o   29.061   3.1704  107.600   21.404  107.600   21.404   0.0000   0.0000   29.061   3.1704  ?   ?  0.000000 3.170433 
1 1 1   10   16   46 o   28.993   3.1736  107.900   21.372  107.900   21.372   0.0000   0.0000   28.993   3.1736  ?   ?  0.000000 3.173607 
1 1 1   10   16   47 o   25.530   2.9876   83.400   17.670   83.400   17.670   0.0000   0.0000   25.530   2.9876  ?   ?  0.000000 2.987639 
1 1 1   10   16   48 o   14.330   2.5450   26.300   8.2960   26.300   8.2960   0.0000   0.0000   14.330   2.5450  ?   ?  0.000000 2.544981 
1 1 1   10   16   49 o   19.540   2.7337   49.400   12.268   49.400   12.268   0.0000   0.0000   19.540   2.7337  ?   ?  0.000000 2.733681 
1 1 1   10   16   50 f   30.581   3.5045  130.200   24.850  130.200   24.850   0.0000   0.0000   30.581   3.5045  ?   ?  0.000000 3.504452 
1 1 1   10   16   51 o   20.488   3.0139   58.400   14.146   58.400   14.146   0.0000   0.0000   20.488   3.0139  ?   ?  0.000000 3.013891 
1 1 1   10   16   52 o   15.269   2.9343   33.300   10.196   33.300   10.196   0.0000   0.0000   15.269   2.9343  ?   ?  0.000000 2.934313 
1 1 1   10   16   53 f   10.423   2.6937   15.700   6.6780   15.700   6.6780   0.0000   0.0000   10.423   2.6937  ?   ?  0.000000 2.693750 
1 1 1   10   16   54 o   4.0253   1.8717  -2.9000   4.3014  -2.9000   4.3014   0.0000   0.0000   4.0253   1.8717  ?   ?  0.000000 1.871719 
1 1 1   10   17    0 o  230.837   18.080  6555.30  971.595  6555.30  971.595  6555.30  971.595  230.837   18.080  230.837   18.080 0.000000 0.000000 
1 1 1   10   17    1 o  106.261   5.7185  1343.49  142.960  1429.20  202.306  1258.00  202.047  109.239   7.8960  102.344   8.4356 6.894531 11.55443 
1 1 1   10   17    2 o  307.265   16.682 11641.48  1205.84 12576.10  1705.88 10708.10  1704.75  313.291   23.224  286.762   25.440 26.52966 34.44608 
1 1 1   10   17    3 o  191.581   10.265  4414.56  462.686  4577.50  654.521  4251.80  654.153  193.387   14.437  186.076   15.016 7.311249 20.83014 
1 1 1   10   17    4 o   59.935   3.5045  426.373   49.383  490.800   69.799  361.800   69.878   64.203   4.6351   54.964   5.4560 9.238873 7.159055 
1 1 1   10   17    5 o  116.095   6.2863  1605.65  171.692  1670.20  242.809  1541.10  242.809  117.921   8.7828  113.159   9.1656 4.762474 12.69435 
1 1 1   10   17    6 o  123.766   6.5849  1825.86  191.754  2030.10  271.308  1622.00  271.055  130.034   8.8890  115.896   10.002 14.13871 13.38140 
1 1 1   10   17    7 o  147.906   7.9542  2616.15  276.786  2559.70  391.417  2672.60  391.454  145.295   11.502  148.569   11.241 -3.274261 16.08331 
1 1 1   10   17    8 o   54.846   2.8035  356.536   36.187  459.800   51.393  255.000   50.961   62.245   3.5109   46.149   4.7440 16.09547 5.901840 
1 1 1   10   17    9 o   90.587   4.4001  971.952   94.122  1235.70  133.401  710.500  132.819  101.895   5.5653   76.882   7.4076 25.01260 9.265276 
1 1 1   10   17   10 o   77.387   4.1172  711.070   74.966  844.800  106.149  578.000  105.887   84.218   5.3656   69.420   6.5364 14.79797 8.456592 
1 1 1   10   17   11 o   48.965   4.2049  286.000   48.147  286.000   48.147   0.0000   0.0000   48.965   4.2049  ?   ?  0.000000 4.204904 
1 1 1   10   17   12 o  119.230   6.4789  1695.64  181.725  1853.60  256.962  1537.60  257.033  124.153   8.8223  112.784   9.7469 11.36915 13.14671 
1 1 1   10   17   13 o  114.145   5.6718  1547.30  152.876  1977.40  216.552  1120.00  215.848  128.622   7.1583   96.131   9.6385 32.49087 12.00591 
1 1 1   10   17   14 o   58.114   3.0625  400.570   41.878  515.500   59.414  287.100   59.035   65.873   3.8362   48.915   5.1903 16.95789 6.454143 
1 1 1   10   17   15 o   93.889   5.1871  1049.52  114.555  1089.20  161.863  1009.70  162.149   95.282   7.2485   91.653   7.5596 3.628532 10.47319 
1 1 1   10   17   16 o  105.667   5.8268  1331.65  144.827  1480.30  204.713  1182.70  204.919  110.985   7.8621   98.894   8.8693 12.09158 11.85232 
1 1 1   10   17   17 o  177.926   9.5436  3826.69  399.509  3688.80  564.245  3965.30  565.739  172.415   13.979  179.097   13.476 -6.682144 19.41713 
1 1 1   10   17   18 o  152.451   8.2373  2798.58  295.434  3188.30  417.843  2409.00  417.771  161.538   11.020  139.467   12.829 22.07114 16.91231 
1 1 1   10   17   19 o   63.398   3.5636  477.749   53.133  533.600   75.210  422.100   75.073   66.841   4.7969   59.305   5.4207 7.536049 7.238440 
1 1 1   10   17   20 o   85.068   4.7106  863.105   94.257  957.400  133.296  768.800  133.303   89.250   6.3665   79.734   7.1562 9.516693 9.578316 
1 1 1   10   17   21 o   72.832   4.0391  631.986   69.194  703.000   97.899  561.100   97.810   76.554   5.4512   68.196   6.1396 8.357925 8.210386 
1 1 1   10   17   22 o   92.840   5.1371  1032.22  112.181  1054.90  158.573  1009.50  158.723   93.211   7.2617   91.108   7.4427 2.102867 10.39839 
1 1 1   10   17   23 o  161.883   8.9368  3226.30  340.298  3540.20  481.251  2912.40  481.258  166.593   12.321  149.660   13.772 16.93329 18.47936 
1 1 1   10   17   24 o   43.672   2.7047  227.000   27.755  250.300   39.252  203.700   39.252   45.720   3.6665   41.138   4.0951 4.582375 5.496659 
1 1 1   10   17   25 o  145.153   8.0776  2604.31  275.771  2622.50  389.844  2586.10  390.155  142.232   11.711  141.124   11.816 1.107315 16.63691 
1 1 1   10   17   26 o   28.761   2.0880   98.505   14.084   94.600   19.930  102.400   19.907   28.043   3.0593   29.211   2.9253 -1.168200 4.232769 
1 1 1   10   17   27 o   69.265   3.9078  575.849   63.654  641.300   90.055  510.500   89.985   72.627   5.2873   64.494   5.9766 8.133919 7.979703 
1 1 1   10   17   28 o   17.808   1.7346   37.904   7.2014   37.100   10.212   38.700   10.156   17.492   2.5473   17.886   2.4708 -0.3938522 3.548714 
1 1 1   10   17   29 o   43.517   2.7105  226.203   27.715  239.400   39.190  213.000   39.199   44.541   3.7612   41.933   4.0076 2.608162 5.496108 
1 1 1   10   17   30 o  100.369   5.5386  1235.44  130.761  1415.20  185.004  1056.00  184.845  105.887   7.4465   90.273   8.7826 15.61441 11.51452 
1 1 1   10   17   31 o   29.691   2.0998  105.186   14.627  108.200   20.735  102.200   20.637   29.962   2.9698   29.095   3.0491 0.8666973 4.256348 
1 1 1   10   17   32 o   17.843   1.7331   38.105   7.2099   37.600   10.249   38.600   10.144   17.587   2.5417   17.836   2.4753 -0.2496719 3.547870 
1 1 1   10   17   33 o   24.235   1.8731   70.156   10.636   75.800   15.101   64.600   14.983   25.071   2.5880   23.079   2.8072 1.992424 3.818122 
1 1 1   10   17   34 o   42.774   2.5761  219.605   25.899  244.200   36.698  195.200   36.556   44.816   3.4954   39.882   3.9329 4.934219 5.261685 
1 1 1   10   17   35 o   18.410   1.6363   40.579   7.0395   45.900   10.073   35.500   9.8414   19.482   2.2298   17.039   2.5222 2.443420 3.366551 
1 1 1   10   17   36 o   39.532   2.6076  188.726   24.205  228.100   34.198  149.200   34.264   43.161   3.3825   34.457   4.3051 8.703876 5.474974 
1 1 1   10   17   37 o   24.629   1.8155   72.724   10.484   55.900   14.607   90.600   15.056   21.278   2.9896   27.373   2.3522 -6.094959 3.803998 
1 1 1   10   17   38 o   57.473   3.5095  407.721   47.400  425.800   66.903  389.500   67.166   57.508   4.9757   54.723   5.2627 2.784740 7.242494 
1 1 1   10   17   39 o   30.100   2.1773  109.353   15.371  116.300   21.734  102.400   21.742   30.740   3.0338   28.736   3.2620 2.004177 4.454695 
1 1 1   10   17   40 o   20.343   1.8448   49.892   8.7654   49.600   12.232   50.200   12.567   20.068   2.6459   20.172   2.7064 -0.1043835 3.784868 
1 1 1   10   17   41 o   18.663   1.7956   42.036   7.8154   39.900   11.018   44.200   11.088   17.940   2.6833   18.942   2.5431 -1.002842 3.696948 
1 1 1   10   17   42 o   36.993   2.5383  167.200   22.039  194.200   31.110  140.000   31.226   39.386   3.3777   32.957   4.1010 6.428535 5.312908 
1 1 1   10   17   43 o   53.647   3.3684  362.008   42.455  424.000   60.012  299.900   60.068   56.724   4.5178   46.423   5.5921 10.30119 7.188991 
1 1 1   10   17   44 o   6.3388   1.8173   4.9569   2.8607   8.6000   3.8765   0.6000   4.2392   8.2716   2.0054   5.0340   2.1123 3.237596 2.912691 
1 1 1   10   17   45 o   18.691   2.6307   44.000   11.289   44.000   11.289   0.0000   0.0000   18.691   2.6307  ?   ?  0.000000 2.630665 
1 1 1   10   17   46 o   7.6286   2.2104   7.3000   4.2122   7.3000   4.2122   0.0000   0.0000   7.6286   2.2104  ?   ?  0.000000 2.210419 
1 1 1   10   17   47 o   28.608   3.1675  105.700   21.039  105.700   21.039   0.0000   0.0000   28.608   3.1675  ?   ?  0.000000 3.167499 
1 1 1   10   17   48 o   20.769   2.7606   55.300   13.203   55.300   13.203   0.0000   0.0000   20.769   2.7606  ?   ?  0.000000 2.760570 
1 1 1   10   17   49 o   31.200   3.4621  131.900   25.077  131.900   25.077   0.0000   0.0000   31.200   3.4621  ?   ?  0.000000 3.462073 
1 1 1   10   17   50 o   19.891   2.8404   53.200   12.962   53.200   12.962   0.0000   0.0000   19.891   2.8404  ?   ?  0.000000 2.840363 
1 1 1   10   17   51 o   21.362   3.0723   64.500   15.052   64.500   15.052   0.0000   0.0000   21.362   3.0723  ?   ?  0.000000 3.072315 
1 1 1   10   17   52 o   13.045   2.8929   24.600   8.6775   24.600   8.6775   0.0000   0.0000   13.045   2.8929  ?   ?  0.000000 2.892899 
1 1 1   10   17   53 o   13.667   3.0334   27.800   9.5340   27.800   9.5340   0.0000   0.0000   13.667   3.0334  ?   ?  0.000000 3.033379 
1 1 1   10   17   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   18    0 o   24.826   2.9262   75.800   16.529   75.800   16.529   75.800   16.529   24.826   2.9262   24.826   2.9262 0.000000 0.000000 
1 1 1   10   18    1 o  184.803   9.6540  4101.57  419.825  4601.60  594.160  3603.00  593.287  194.464   13.014  171.204   14.822 23.25943 19.72425 
1 1 1   10   18    2 o   20.159   1.8065   48.391   8.5083   47.400   11.979   49.400   12.087   19.854   2.6189   20.281   2.5825 -0.4266911 3.678007 
1 1 1   10   18    3 o  323.894   16.656 12956.72  1269.58 15237.40  1797.58 10686.80  1793.34  345.595   22.144  284.065   27.062 61.52911 34.96730 
1 1 1   10   18    4 o   84.371   4.5659  845.683   90.627  975.800  128.249  715.900  128.084   90.451   6.0392   77.242   7.1019 13.20948 9.322471 
1 1 1   10   18    5 o  192.892   10.246  4478.52  465.030  4311.00  656.529  4647.20  658.779  187.226   14.975  194.702   14.431 -7.475739 20.79725 
1 1 1   10   18    6 o  115.716   6.3224  1595.82  172.105  1655.80  243.152  1535.60  243.635  117.364   8.8385  112.910   9.2183 4.453827 12.77091 
1 1 1   10   18    7 o  244.730   11.610  7227.46  670.930  9218.50  950.357  5249.10  947.328  274.242   14.729  203.529   19.968 70.71283 24.81305 
1 1 1   10   18    8 o   25.177   1.9499   75.339   11.502   83.400   16.278   67.300   16.256   26.431   2.6436   23.672   2.9737 2.758575 3.978879 
1 1 1   10   18    9 o   91.461   3.9319  990.227   84.919  1357.40  120.621  629.400  119.574  107.018   4.7731   72.370   7.0880 34.64834 8.545353 
1 1 1   10   18   10 o   22.357   1.7932   59.430   9.3873   80.500   13.314   38.600   13.238   26.009   2.1882   17.785   3.2726 8.223566 3.936776 
1 1 1   10   18   11 f  123.181   6.6964  1811.02  194.050  1852.80  274.204  1769.10  274.654  123.949   9.4394  121.032   9.6913 2.916710 13.52861 
1 1 1   10   18   12 o   89.017   4.8910  942.520  102.415  1125.70  144.848  759.400  144.825   97.078   6.3538   79.377   7.8285 17.70060 10.08247 
1 1 1   10   18   13 o  122.271   6.6967  1785.78  192.617  1895.10  272.173  1676.10  272.629  125.322   9.2628  117.633   9.9070 7.689156 13.56281 
1 1 1   10   18   14 o   46.377   2.8233  255.290   30.772  291.600   43.524  219.000   43.512   49.486   3.7526   42.766   4.3701 6.719891 5.760190 
1 1 1   10   18   15 f   71.850   3.8941  613.289   65.823  754.400   93.207  472.900   92.968   79.569   4.9859   62.701   6.3675 16.86789 8.087255 
1 1 1   10   18   16 o   97.174   5.3394  1125.62  122.050  1272.30  172.591  978.900  172.619  102.958   7.1431   89.994   8.2134 12.96449 10.88508 
1 1 1   10   18   17 o   55.933   3.2337  371.589   42.529  354.100   59.956  389.300   60.334   54.411   4.7130   57.099   4.5116 -2.688538 6.524318 
1 1 1   10   18   18 o   84.855   4.6808  857.968   93.428  888.600  132.197  827.400  132.058   85.990   6.5600   82.903   6.8059 3.087090 9.452665 
1 1 1   10   18   19 o   36.907   2.3344  161.744   20.240  189.000   28.679  134.700   28.568   39.832   3.0729   33.506   3.6707 6.325245 4.787136 
1 1 1   10   18   20 o  141.320   7.7314  2416.56  257.024  2466.60  363.277  2366.40  363.698  141.064   10.993  137.993   11.260 3.070389 15.73586 
1 1 1   10   18   21 o   61.908   3.5557  456.395   51.762  476.000   73.211  436.800   73.194   62.979   4.9631   60.266   5.1940 2.712456 7.184032 
1 1 1   10   18   22 o  113.447   6.2346  1552.82  166.377  1584.60  235.224  1521.00  235.361  113.391   8.8552  110.971   9.0609 2.420296 12.66943 
1 1 1   10   18   23 o  156.469   8.4264  3014.85  310.191  3483.90  438.888  2546.70  438.466  165.578   11.292  139.382   13.491 26.19551 17.59312 
1 1 1   10   18   24 o   44.156   2.7271  232.199   28.296  230.100   40.007  234.300   40.026   43.758   3.9131   44.166   3.8771 -0.4076691 5.508608 
1 1 1   10   18   25 o   66.340   3.7753  526.723   58.897  501.100   83.248  552.400   83.337   64.200   5.5458   67.521   5.2685 -3.320213 7.649383 
1 1 1   10   18   26 f   39.255   2.5138  183.650   23.179  184.000   32.768  183.300   32.793   39.105   3.5886   39.028   3.5988 0.7706451E-01 5.082305 
1 1 1   10   18   27 o   52.688   3.0483  331.707   37.764  387.500   53.450  276.100   53.362   56.722   4.0165   47.613   4.8122 9.109127 6.268155 
1 1 1   10   18   28 o   48.236   2.9066  278.081   32.953  294.000   46.630  262.200   46.574   49.332   4.0383   46.500   4.2899 2.831650 5.891636 
1 1 1   10   18   29 o   81.701   4.6134  809.401   88.641  856.200  125.355  762.600  125.359   83.018   6.4450   78.061   6.8707 4.956696 9.420473 
1 1 1   10   18   30 o   72.235   4.0803  630.575   69.315  672.900   98.113  588.400   97.939   73.853   5.6692   68.806   6.0908 5.046707 8.320951 
1 1 1   10   18   31 o   42.848   2.5774  219.514   25.957  250.000   36.853  189.500   36.566   45.519   3.4544   39.448   3.9798 6.070694 5.269889 
1 1 1   10   18   32 o   4.9972   1.5829   2.9070   2.0946   0.9000   3.1487   4.5000   2.8052   4.5538   1.8566   6.1174   1.8128 -1.563653 2.594847 
1 1 1   10   18   33 o   26.534   1.9390   84.138   12.065   93.000   17.123   75.400   17.003   27.767   2.6435   24.907   2.9481 2.859653 3.959691 
1 1 1   10   18   34 o   22.611   1.8065   61.172   9.5652   67.200   13.617   55.300   13.439   23.575   2.4835   21.304   2.7346 2.270693 3.693990 
1 1 1   10   18   35 o   8.6555   1.6807   9.2102   3.3114   8.0000   4.8105   10.300   4.5651   8.0979   2.3668   9.1060   2.1564 -1.008114 3.201785 
1 1 1   10   18   36 o   69.075   3.7725  588.071   61.301  676.600   86.855  500.200   86.532   72.890   5.0780   61.737   6.0120 11.15332 7.869527 
1 1 1   10   18   37 o   75.720   4.6423  726.581   82.604  801.400  116.601  651.200  117.038   77.143   6.4604   68.265   7.3778 8.877365 9.806613 
1 1 1   10   18   38 o   31.867   2.2406  122.578   16.753  120.500   23.571  124.700   23.816   31.225   3.2441   31.781   3.2179 -0.5556450 4.569311 
1 1 1   10   18   39 o   33.089   2.2937  132.395   17.812  131.800   25.077  133.000   25.304   32.610   3.3021   32.752   3.3176 -0.1422386 4.680845 
1 1 1   10   18   40 o   21.672   1.9120   56.673   9.6845   60.400   13.567   52.800   13.829   22.169   2.6437   20.618   2.9222 1.551214 3.940631 
1 1 1   10   18   41 o   29.515   2.2473  105.668   15.545  139.400   21.929   71.600   22.038   33.697   2.7807   23.502   4.1213 10.19530 4.971687 
1 1 1   10   18   42 f   23.817   2.0527   68.872   11.432   85.700   16.063   51.600   16.273   26.375   2.6136   20.022   3.5730 6.352442 4.426846 
1 1 1   10   18   43 o   20.498   1.9467   51.118   9.3097   60.200   13.014   41.600   13.323   22.041   2.5474   17.996   3.2551 4.044569 4.133389 
1 1 1   10   18   44 o   24.330   2.0129   72.219   11.460   90.600   16.177   53.700   16.238   27.010   2.5673   20.284   3.5176 6.725359 4.354790 
1 1 1   10   18   45 o   22.401   2.7991   63.500   14.483   63.500   14.483   0.0000   0.0000   22.401   2.7991  ?   ?  0.000000 2.799069 
1 1 1   10   18   46 o   19.035   2.6649   45.900   11.650   45.900   11.650   0.0000   0.0000   19.035   2.6649  ?   ?  0.000000 2.664923 
1 1 1   10   18   47 o   24.202   2.9125   75.100   16.311   75.100   16.311   0.0000   0.0000   24.202   2.9125  ?   ?  0.000000 2.912541 
1 1 1   10   18   48 o   18.615   2.6870   44.600   11.469   44.600   11.469   0.0000   0.0000   18.615   2.6870  ?   ?  0.000000 2.686961 
1 1 1   10   18   49 o   5.8928   2.0411   4.0000   3.4630   4.0000   3.4630   0.0000   0.0000   5.8928   2.0411  ?   ?  0.000000 2.041079 
1 1 1   10   18   50 o   7.3215   2.4614   6.8000   5.0288   6.8000   5.0288   0.0000   0.0000   7.3215   2.4614  ?   ?  0.000000 2.461370 
1 1 1   10   18   51 o   23.465   3.2964   80.400   17.762   80.400   17.762   0.0000   0.0000   23.465   3.2964  ?   ?  0.000000 3.296419 
1 1 1   10   18   52 f   4.8857   2.0552   1.1000   4.0288   1.1000   4.0288   0.0000   0.0000   4.8857   2.0552  ?   ?  0.000000 2.055162 
1 1 1   10   18   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   19    0 f  102.474   8.1025  1269.30  193.242  1269.30  193.242  1269.30  193.242  102.474   8.1025  102.474   8.1025 0.000000 0.000000 
1 1 1   10   19    1 o   74.196   4.1574  653.809   72.545  645.700  102.650  661.900  102.539   73.503   5.9656   74.438   5.8814 -0.9349060 8.377337 
1 1 1   10   19    2 o   77.078   4.2923  705.698   77.814  721.100  110.054  690.300  110.037   77.690   6.0466   75.981   6.1867 1.709000 8.650819 
1 1 1   10   19    3 f  245.553   13.291  7342.84  767.810  7479.40  1086.08  7206.40  1085.61  244.026   18.998  239.215   19.385 4.810822 27.14234 
1 1 1   10   19    4 o  208.930   11.263  5274.95  553.613  5278.60  782.881  5271.30  782.973  206.518   16.183  206.366   16.198 0.1521301 22.89664 
1 1 1   10   19    5 o  154.058   8.2516  2841.46  299.090  2982.70  423.117  2700.40  422.838  156.847   11.504  148.983   12.124 7.864594 16.71379 
1 1 1   10   19    6 f  177.197   8.9517  3765.67  373.347  4423.50  528.668  3111.20  527.319  191.035   11.777  159.127   14.182 31.90804 18.43446 
1 1 1   10   19    7 o  269.973   14.395  8928.48  914.390  8396.00  1291.06  9464.40  1295.23  256.136   21.546  273.273   20.215 -17.13663 29.54477 
1 1 1   10   19    8 o  143.549   7.7219  2464.88  260.786  2386.90  368.760  2542.90  368.854  140.245   11.229  144.906   10.859 -4.661804 15.62073 
1 1 1   10   19    9 o  176.928   8.1958  3739.88  342.412  5187.80  485.214  2303.50  483.278  207.826   9.8872  136.139   15.298 71.68607 18.21503 
1 1 1   10   19   10 o  119.314   5.7896  1691.14  163.119  2293.30  231.112  1093.40  230.260  138.555   7.0875   94.745   10.467 43.81035 12.64068 
1 1 1   10   19   11 o  103.511   5.6483  1276.49  137.538  1439.60  194.516  1113.40  194.501  109.571   7.5642   96.047   8.6693 13.52432 11.50538 
1 1 1   10   19   12 o   79.135   4.4678  744.628   83.147  829.000  117.498  660.000  117.676   83.286   6.0149   74.127   6.7985 9.158531 9.077407 
1 1 1   10   19   13 o  104.560   5.7288  1303.30  140.908  1529.80  199.250  1076.70  199.297  112.936   7.5143   94.293   9.0624 18.64314 11.77252 
1 1 1   10   19   14 o   72.358   3.8909  622.022   66.237  774.200   93.774  470.500   93.572   80.609   4.9505   62.520   6.4298 18.08826 8.114740 
1 1 1   10   19   15 o   15.754   1.6791   29.654   6.1500   24.300   8.6216   35.200   8.7752   14.101   2.6875   17.113   2.2241 -3.012763 3.488405 
1 1 1   10   19   16 o   79.533   4.3245  752.632   80.910  874.600  114.551  631.200  114.299   85.522   5.7050   72.385   6.7655 13.13757 8.849786 
1 1 1   10   19   17 o  171.263   9.0297  3553.41  363.882  4429.40  514.929  2679.60  514.284  189.772   11.546  145.252   15.220 44.51942 19.10384 
1 1 1   10   19   18 o   77.795   4.2882  720.989   78.470  779.700  111.079  662.500  110.869   80.604   5.8764   74.151   6.3943 6.453156 8.684475 
1 1 1   10   19   19 o  139.236   7.4955  2342.75  245.534  2501.50  347.459  2184.40  347.016  142.403   10.405  132.582   11.189 9.821167 15.27903 
1 1 1   10   19   20 f   82.389   4.5751  810.932   88.659  841.500  125.419  780.400  125.346   83.470   6.4121   80.290   6.6718 3.180244 9.253520 
1 1 1   10   19   21 o   12.829   1.6419   19.776   4.8598   21.300   6.9295   18.300   6.8175   13.225   2.3027   12.216   2.4487 1.008517 3.361284 
1 1 1   10   19   22 o   70.503   4.0117  594.026   66.512  628.100   94.026  559.900   94.097   72.111   5.5649   67.957   5.9230 4.154312 8.127125 
1 1 1   10   19   23 o   50.498   3.0191  303.899   35.836  310.000   50.683  297.800   50.678   50.772   4.2669   49.737   4.3590 1.035484 6.099794 
1 1 1   10   19   24 o   48.110   2.8747  275.861   32.508  255.200   45.930  296.600   46.017   46.000   4.2774   49.691   3.9545 -3.690891 5.825357 
1 1 1   10   19   25 o   39.402   2.5216  185.004   23.339  187.100   32.977  182.900   33.035   39.444   3.5794   38.985   3.6303 0.4589882 5.098158 
1 1 1   10   19   26 o   33.035   2.2444  130.041   17.404  124.300   24.594  135.800   24.633   32.124   3.2886   33.619   3.1392 -1.495487 4.546320 
1 1 1   10   19   27 o   41.175   2.5715  202.265   24.877  186.100   35.143  218.500   35.220   39.233   3.8428   42.612   3.5321 -3.379635 5.219437 
1 1 1   10   19   28 o   13.025   1.6351   20.403   4.9183   22.800   6.9508   18.000   6.9601   13.686   2.2274   12.083   2.5209 1.602390 3.363949 
1 1 1   10   19   29 o   62.793   3.6551  474.521   53.962  487.000   76.250  462.000   76.379   63.031   5.1684   61.311   5.3286 1.720276 7.423372 
1 1 1   10   19   30 o   46.816   2.8639  262.498   31.508  255.800   44.551  269.200   44.567   45.853   4.1599   47.084   4.0478 -1.230698 5.804215 
1 1 1   10   19   31 o   59.479   3.4839  426.551   48.719  446.400   68.897  406.700   68.901   60.261   4.8838   57.381   5.1395 2.879913 7.089848 
1 1 1   10   19   32 o   52.746   3.1743  335.270   39.352  353.000   55.621  317.500   55.683   53.622   4.4324   50.715   4.7032 2.906887 6.462705 
1 1 1   10   19   33 o   40.363   2.5824  195.704   24.484  194.600   34.689  196.800   34.563   39.884   3.7264   40.125   3.6892 -0.2403030 5.243674 
1 1 1   10   19   34 f   43.427   2.6436  227.154   26.980  243.900   38.266  210.600   38.046   44.608   3.6652   41.308   3.9486 3.299736 5.387488 
1 1 1   10   19   35 o   31.239   2.1538  117.216   15.791  124.000   22.388  110.500   22.276   31.882   3.0093   30.021   3.1912 1.861526 4.386317 
1 1 1   10   19   36 o   13.304   1.5997   21.357   4.9247   23.400   7.0416   19.400   6.8901   13.804   2.2367   12.503   2.4212 1.301172 3.296211 
1 1 1   10   19   37 o   20.560   1.7322   50.761   8.3311   56.800   11.872   44.900   11.694   21.608   2.3653   19.102   2.6652 2.506180 3.563398 
1 1 1   10   19   38 o   45.700   2.7528  254.126   29.568  271.400   41.967  237.100   41.664   46.587   3.8493   43.352   4.1195 3.235832 5.638063 
1 1 1   10   19   39 o   34.943   2.3854  147.907   19.565  148.300   27.439  147.500   27.906   34.544   3.4083   34.412   3.4821 0.1312523 4.872516 
1 1 1   10   19   40 o   54.652   3.5011  371.409   44.945  424.900   63.409  317.400   63.716   57.311   4.7276   48.596   5.6583 8.714996 7.373404 
1 1 1   10   19   41 o   52.163   3.3231  338.895   40.720  360.100   57.326  317.300   57.850   52.479   4.6750   48.810   5.0943 3.669044 6.914263 
1 1 1   10   19   42 o   34.641   2.4289  146.792   19.743  159.800   27.823  133.600   28.018   35.608   3.3483   32.283   3.7450 3.325459 5.023594 
1 1 1   10   19   43 f   23.912   2.1580   69.917   12.054   92.500   16.894   46.500   17.204   27.305   2.6538   18.664   4.0221 8.640608 4.818676 
1 1 1   10   19   44 o   47.722   3.1281  288.264   35.055  314.500   49.468  261.800   49.683   48.344   4.3809   43.393   4.9366 4.951309 6.600156 
1 1 1   10   19   45 o   6.3939   2.1144   4.8000   3.7139   4.8000   3.7139   0.0000   0.0000   6.3939   2.1144  ?   ?  0.000000 2.114423 
1 1 1   10   19   46 o   21.076   2.7479   56.400   13.351   56.400   13.351   0.0000   0.0000   21.076   2.7479  ?   ?  0.000000 2.747933 
1 1 1   10   19   47 o   42.809   4.3636  255.100   43.493  255.100   43.493   0.0000   0.0000   42.809   4.3636  ?   ?  0.000000 4.363562 
1 1 1   10   19   48 o   18.059   2.6674   42.200   11.033   42.200   11.033   0.0000   0.0000   18.059   2.6674  ?   ?  0.000000 2.667380 
1 1 1   10   19   49 o   12.564   2.6834   21.200   7.7195   21.200   7.7195   0.0000   0.0000   12.564   2.6834  ?   ?  0.000000 2.683395 
1 1 1   10   19   50 o   6.1046   2.2951   4.0000   4.4914   4.0000   4.4914   0.0000   0.0000   6.1046   2.2951  ?   ?  0.000000 2.295149 
1 1 1   10   19   51 o   15.374   2.8419   33.400   9.9370   33.400   9.9370   0.0000   0.0000   15.374   2.8419  ?   ?  0.000000 2.841924 
1 1 1   10   19   52 o   6.3120   2.4095   4.5000   4.9962   4.5000   4.9962   0.0000   0.0000   6.3120   2.4095  ?   ?  0.000000 2.409544 
1 1 1   10   19   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   20    0 o   9.7553   2.8718   13.800   5.7490   13.800   5.7490   13.800   5.7490   9.7553   2.8718   9.7553   2.8718 0.000000 0.000000 
1 1 1   10   20    1 o   81.937   4.5370  797.798   87.442  793.600  123.627  802.000  123.697   81.449   6.4815   81.887   6.4493 -0.4377441 9.143460 
1 1 1   10   20    2 o  132.592   5.7312  2087.08  179.441  2762.90  254.731  1421.40  252.815  152.337   7.0813  108.385   9.9905 43.95161 12.24558 
1 1 1   10   20    3 o  268.508   13.936  8811.71  880.534 10235.10  1246.29  7393.00  1244.24  285.748   18.571  239.680   22.237 46.06746 28.97221 
1 1 1   10   20    4 o   51.590   2.9972  315.785   36.356  367.500   51.472  264.300   51.358   55.578   3.9477   46.994   4.6908 8.583965 6.130843 
1 1 1   10   20    5 o   99.726   5.4507  1183.71  127.873  1206.00  180.800  1161.40  180.880  100.270   7.6947   98.355   7.8536 1.915276 10.99486 
1 1 1   10   20    6 o  186.032   9.4981  4160.96  415.849  4927.60  588.692  3397.40  587.510  201.222   12.451  165.706   15.183 35.51532 19.63554 
1 1 1   10   20    7 o  143.864   7.7051  2476.50  260.801  2583.00  369.012  2370.20  368.646  146.021   10.778  139.678   11.273 6.343201 15.59630 
1 1 1   10   20    8 o  134.045   6.9910  2146.24  220.519  2510.00  312.100  1783.60  311.622  144.401   9.2009  121.093   11.019 23.30784 14.35496 
1 1 1   10   20    9 o  243.086   13.430  7236.86  767.912  8310.90  1085.63  6161.40  1086.35  256.952   18.006  218.361   21.341 38.59100 27.92261 
1 1 1   10   20   10 o  274.176   22.608  9804.40  1450.65  9804.40  1450.65   0.0000   0.0000  274.176   22.608  ?   ?  0.000000 22.60802 
1 1 1   10   20   11 o  120.082   6.5635  1722.28  185.408  1899.70  262.109  1544.60  262.305  125.547   8.8989  112.846   9.9453 12.70049 13.34543 
1 1 1   10   20   12 o  100.075   5.3250  1192.98  125.383  1425.60  177.461  961.100  177.175  109.109   6.9237   89.141   8.5209 19.96741 10.97921 
1 1 1   10   20   13 o   79.853   4.4580  758.621   83.726  856.900  118.393  660.300  118.418   84.643   5.9615   74.081   6.8469 10.56245 9.078474 
1 1 1   10   20   14 o   20.935   1.8253   52.182   8.9333   67.300   12.662   37.200   12.605   23.750   2.2860   17.460   3.1744 6.290741 3.911833 
1 1 1   10   20   15 o   43.626   2.6686  225.977   27.359  271.600   38.722  180.500   38.660   47.762   3.4567   38.770   4.2950 8.992180 5.513251 
1 1 1   10   20   16 o  135.025   7.2745  2192.39  231.085  2520.20  326.885  1864.90  326.723  143.816   9.6819  122.872   11.390 20.94419 14.94910 
1 1 1   10   20   17 o   22.412   1.8085   59.756   9.4897   47.300   13.319   72.600   13.525   19.773   2.9422   24.663   2.3507 -4.890253 3.765968 
1 1 1   10   20   18 o   48.812   2.7850  283.042   31.968  351.300   45.295  215.300   45.123   54.305   3.5518   42.293   4.5920 12.01142 5.805349 
1 1 1   10   20   19 f  135.531   7.2120  2222.70  229.981  2440.90  325.543  2005.30  324.941  140.589   9.8686  126.711   10.968 13.87783 14.75428 
1 1 1   10   20   20 o   85.165   4.7099  868.165   94.351  950.800  133.462  785.600  133.405   88.635   6.4201   80.297   7.1092 8.337593 9.579089 
1 1 1   10   20   21 o  123.327   6.7877  1847.06  196.910  1931.70  278.464  1762.40  278.480  124.473   9.5467  118.532   10.044 5.940956 13.85710 
1 1 1   10   20   22 o   25.588   1.9709   77.952   11.817   80.600   16.705   75.300   16.718   25.919   2.7724   25.025   2.8817 0.8935261 3.998839 
1 1 1   10   20   23 o   68.835   3.8877  567.170   62.934  635.200   89.021  499.200   88.982   72.470   5.2373   63.968   5.9594 8.501610 7.933722 
1 1 1   10   20   24 o   7.7070   1.6633   7.3000   2.9383   7.2000   4.1553   7.4000   4.1553   7.6986   2.1845   7.7925   2.1752 -0.9385586E-01 3.082787 
1 1 1   10   20   25 o   80.625   4.5507  784.219   86.284  794.300  121.908  774.100  122.140   80.273   6.4867   79.186   6.5919 1.087044 9.248257 
1 1 1   10   20   26 o   31.697   2.1974  119.750   16.346  119.400   23.111  120.100   23.121   31.495   3.1497   31.590   3.1413 -0.9451485E-01 4.448385 
1 1 1   10   20   27 o   11.002   1.6434   14.646   4.1385   16.400   5.8595   12.900   5.8459   11.562   2.2269   10.217   2.4539 1.345430 3.313674 
1 1 1   10   20   28 o   27.084   2.0239   87.498   12.850   92.700   18.176   82.300   18.170   27.754   2.8122   26.098   3.0031 1.655991 4.114200 
1 1 1   10   20   29 o   70.964   4.0743  608.868   67.988  578.700   96.178  639.000   96.120   68.235   6.0312   71.908   5.7076 -3.673584 8.303751 
1 1 1   10   20   30 o   60.559   3.4910  441.887   49.710  415.300   70.218  468.600   70.384   58.008   5.1808   61.797   4.8626 -3.789410 7.105283 
1 1 1   10   20   31 o   44.969   2.7770  242.593   29.344  249.000   41.520  236.200   41.478   45.209   3.9284   43.985   4.0386 1.224133 5.634032 
1 1 1   10   20   32 o   32.188   2.2085  124.025   16.685  114.000   23.567  134.100   23.626   30.587   3.3159   33.279   3.0400 -2.691755 4.498584 
1 1 1   10   20   33 o   23.817   1.9203   67.950   10.708   69.300   15.143   66.600   15.143   23.881   2.7346   23.390   2.7972 0.4912777 3.911854 
1 1 1   10   20   34 f   21.996   1.8221   58.004   9.3787   61.400   13.355   54.700   13.174   22.474   2.5623   21.163   2.6976 1.311348 3.720525 
1 1 1   10   20   35 o   43.044   2.7257  224.309   27.561  221.200   39.034  227.400   38.921   42.169   3.9666   42.800   3.8936 -0.6305237 5.558276 
1 1 1   10   20   36 o   27.790   1.9974   92.814   13.020  102.700   18.494   83.100   18.333   29.026   2.7303   25.981   3.0460 3.044527 4.090566 
1 1 1   10   20   37 o   14.345   1.6142   24.816   5.3729   27.800   7.7105   22.000   7.4912   15.059   2.2362   13.308   2.4750 1.751525 3.335558 
1 1 1   10   20   38 o   23.950   1.7917   68.898   10.059   80.300   14.356   57.900   14.100   25.704   2.3926   21.662   2.8236 4.042250 3.701007 
1 1 1   10   20   39 o   38.735   2.2229  181.145   20.247  221.800   28.760  141.200   28.508   42.567   2.8781   33.545   3.6583 9.022758 4.654789 
1 1 1   10   20   40 o   61.692   3.8913  480.124   56.396  552.900   79.607  406.800   79.906   64.544   5.2691   53.959   6.3957 10.58429 8.286621 
1 1 1   10   20   41 o   29.835   2.1219  107.955   14.852   98.100   20.853  118.100   21.157   27.959   3.2172   30.849   2.9400 -2.889935 4.358221 
1 1 1   10   20   42 o   29.069   2.1986  103.044   14.980  111.300   21.067   94.600   21.305   29.802   3.0360   27.267   3.3814 2.534966 4.544368 
1 1 1   10   20   43 o   23.344   2.0053   66.475   10.947   73.900   15.355   58.800   15.610   24.308   2.7218   21.434   3.1807 2.873919 4.186304 
1 1 1   10   20   44 o   32.775   2.4655  133.115   18.942  171.100   26.695   94.600   26.881   36.685   3.1109   26.205   4.5066 10.48057 5.476071 
1 1 1   10   20   45 o   7.9198   2.2693   7.9000   4.4619   7.9000   4.4619   0.0000   0.0000   7.9198   2.2693  ?   ?  0.000000 2.269261 
1 1 1   10   20   46 o   36.490   3.7474  177.200   31.831  177.200   31.831   0.0000   0.0000   36.490   3.7474  ?   ?  0.000000 3.747424 
1 1 1   10   20   47 o   12.878   2.5210   21.400   7.3919   21.400   7.3919   0.0000   0.0000   12.878   2.5210  ?   ?  0.000000 2.521048 
1 1 1   10   20   48 f  ?   ?   -6.7000   1.1433  -6.7000   1.1433   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   20   49 o   9.6207   2.8178   12.700   6.8122   12.700   6.8122   0.0000   0.0000   9.6207   2.8178  ?   ?  0.000000 2.817767 
1 1 1   10   20   50 o   22.893   3.1855   75.100   16.753   75.100   16.753   0.0000   0.0000   22.893   3.1855  ?   ?  0.000000 3.185471 
1 1 1   10   20   51 o   9.5897   2.6738   13.100   6.2822   13.100   6.2822   0.0000   0.0000   9.5897   2.6738  ?   ?  0.000000 2.673762 
1 1 1   10   20   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   21    0 o  270.921   21.523  9174.30  1356.91  9174.30  1356.91  9174.30  1356.91  270.921   21.523  270.921   21.523 0.000000 0.000000 
1 1 1   10   21    1 f   54.238   3.1672  349.122   40.387  324.400   57.084  373.900   57.147   52.107   4.6895   56.013   4.3549 -3.905643 6.399743 
1 1 1   10   21    2 o  111.987   6.0527  1494.65  159.465  1383.00  225.470  1606.40  225.564  107.096   8.9991  115.644   8.3156 -8.547890 12.25285 
1 1 1   10   21    3 o   93.467   5.1223  1039.39  112.623  1082.90  159.283  995.900  159.262   95.072   7.1473   91.089   7.4700 3.983047 10.33857 
1 1 1   10   21    4 o   22.135   1.8819   58.304   9.7433   57.100   13.800   59.500   13.758   21.806   2.7407   22.276   2.6687 -0.4700184 3.825375 
1 1 1   10   21    5 o   59.620   3.4283  421.976   48.062  398.000   67.936  446.000   68.004   57.707   5.0359   61.151   4.7466 -3.444019 6.920316 
1 1 1   10   21    6 o  215.792   11.618  5653.60  589.811  5844.60  834.552  5463.00  833.686  216.478   16.449  208.843   17.054 7.634811 23.69403 
1 1 1   10   21    7 o   46.257   2.8098  253.939   30.546  283.900   43.206  224.000   43.190   48.824   3.7769   43.271   4.2832 5.553024 5.710542 
1 1 1   10   21    8 o  153.967   8.3861  2845.47  303.747  3065.20  429.346  2625.30  429.780  158.685   11.537  146.387   12.555 12.29793 17.05055 
1 1 1   10   21    9 o   61.326   3.5809  446.701   51.630  492.000   72.935  401.200   73.097   64.220   4.8452   57.872   5.4118 6.347607 7.263870 
1 1 1   10   21   10 o  198.474   15.743  4924.30  731.790  4924.30  731.790   0.0000   0.0000  198.474   15.743  ?   ?  0.000000 15.74345 
1 1 1   10   21   11 o   26.349   2.1111   82.578   13.025  108.200   18.339   56.500   18.501   30.138   2.6024   21.528   3.7772 8.609480 4.586957 
1 1 1   10   21   12 o  225.891   11.961  6246.78  635.758  7712.10  899.565  4784.50  898.633  248.195   15.425  191.421   20.185 56.77402 25.40413 
1 1 1   10   21   13 o  131.340   7.2054  2069.96  222.616  2313.50  314.690  1826.00  314.962  137.988   9.7199  121.997   11.053 15.99155 14.71904 
1 1 1   10   21   14 o  227.331   18.775  6739.50  998.857  6739.50  998.857   0.0000   0.0000  227.331   18.775  ?   ?  0.000000 18.77530 
1 1 1   10   21   15 o   97.954   5.4510  1146.82  125.586  1349.10  177.531  944.200  177.679  105.824   7.1463   88.006   8.6622 17.81761 11.22956 
1 1 1   10   21   16 o   68.329   3.5526  555.150   57.123  710.000   80.982  401.800   80.589   77.153   4.4641   57.675   6.0054 19.47780 7.482871 
1 1 1   10   21   17 o   93.935   4.8201  1053.83  106.557  1321.20  150.954  788.300  150.436  104.855   6.1233   80.344   8.0371 24.51127 10.10397 
1 1 1   10   21   18 o   34.584   2.2132  142.096   17.979  171.900   25.493  112.600   25.361   37.982   2.8634   30.591   3.5784 7.390753 4.583044 
1 1 1   10   21   19 o   60.084   3.3343  429.891   47.121  497.000   66.769  363.300   66.510   64.421   4.4158   54.868   5.1953 9.553059 6.818445 
1 1 1   10   21   20 o  116.456   6.2491  1640.79  171.219  1824.90  242.377  1457.40  241.904  121.619   8.4931  107.986   9.5864 13.63274 12.80744 
1 1 1   10   21   21 o   94.748   5.2504  1081.70  117.012  1089.60  165.526  1073.80  165.434   94.119   7.5103   93.403   7.5657 0.7161560 10.66042 
1 1 1   10   21   22 o   82.572   4.6037  819.471   89.406  787.800  126.383  851.200  126.497   80.153   6.7399   83.455   6.4695 -3.301895 9.342439 
1 1 1   10   21   23 o   44.572   2.7412  236.838   28.712  269.900   40.612  203.800   40.597   47.424   3.6548   41.042   4.2505 6.381645 5.605748 
1 1 1   10   21   24 o   39.726   2.5419  188.156   23.720  193.400   33.526  182.900   33.563   40.090   3.5792   38.954   3.6930 1.136234 5.142791 
1 1 1   10   21   25 o   24.720   1.9412   72.850   11.240   71.300   15.896   74.400   15.896   24.322   2.8200   24.863   2.7537 -0.5412903 3.941512 
1 1 1   10   21   26 o   66.196   3.8124  526.913   59.341  541.500   83.885  512.300   83.958   66.519   5.3867   64.617   5.5564 1.901711 7.738886 
1 1 1   10   21   27 o   91.882   5.1743  1030.06  111.808  1043.40  158.044  1016.70  158.196   90.952   7.4235   89.684   7.5399 1.267365 10.58105 
1 1 1   10   21   28 o   29.559   2.1145  104.248   14.661  111.800   20.737   96.700   20.732   30.478   2.9170   28.277   3.1588 2.201445 4.299685 
1 1 1   10   21   29 o   25.218   1.9401   75.913   11.464   87.400   16.239   64.500   16.187   26.964   2.5820   23.032   3.0513 3.931160 3.997120 
1 1 1   10   21   30 o   12.589   1.5493   19.060   4.5084   25.900   6.5494   12.900   6.2155   14.643   1.9421   10.205   2.5783 4.438076 3.227913 
1 1 1   10   21   31 o   88.777   5.1257  977.606  106.995  1016.20  151.206  938.900  151.423   88.374   7.3114   84.544   7.6683 3.829193 10.59525 
1 1 1   10   21   32 o   28.472   2.0842   97.100   13.915   95.700   19.676   98.500   19.682   28.048   3.0184   28.472   2.9713 -0.4245396 4.235466 
1 1 1   10   21   33 o   27.551   2.0540   91.048   13.267   97.600   18.765   84.500   18.758   28.333   2.8431   26.276   3.0818 2.057453 4.192930 
1 1 1   10   21   34 o   24.760   1.9118   73.541   11.091   80.700   15.751   66.500   15.621   25.772   2.6248   23.294   2.9028 2.478199 3.913545 
1 1 1   10   21   35 o   42.592   2.6567  219.714   26.587  234.900   37.644  204.600   37.555   43.544   3.6959   40.468   3.9816 3.076115 5.432575 
1 1 1   10   21   36 o   23.282   1.8861   65.179   10.280   68.000   14.594   62.400   14.483   23.577   2.6683   22.540   2.7800 1.036932 3.853327 
1 1 1   10   21   37 o   16.357   1.7234   32.265   6.5566   31.200   9.3384   33.300   9.2077   15.881   2.5787   16.453   2.4442 -0.5728235 3.552990 
1 1 1   10   21   38 o   22.553   1.8365   61.199   9.6955   68.300   13.761   54.200   13.662   23.653   2.5018   20.940   2.8361 2.713507 3.781819 
1 1 1   10   21   39 o   12.796   1.4385   19.731   4.2713   28.100   6.2505   12.400   5.8503   15.233   1.7707   9.9342   2.4968 5.298734 3.060971 
1 1 1   10   21   40 o   10.274   1.7540   12.981   4.1027   9.9000   5.9352   15.800   5.6775   8.9312   2.6342   11.255   2.2151 -2.323840 3.441766 
1 1 1   10   21   41 o   33.495   2.4335  137.289   19.116  148.900   26.766  125.200   27.311   34.373   3.3398   31.222   3.7815 3.150917 5.045259 
1 1 1   10   21   42 o   4.5036   1.7162   1.7164   2.5320   4.5000   3.0048  -5.1000   4.7020   6.1112   1.8900   4.0266   1.8992 2.084605 2.679338 
1 1 1   10   21   43 o   6.7387   1.8862   5.6513   3.1200   8.6000   4.1458   1.8000   4.7380   8.2533   2.1170   5.6369   2.2852 2.616331 3.115119 
1 1 1   10   21   44 o   21.532   1.9536   56.726   9.8249   60.500   13.676   52.700   14.124   21.907   2.7009   20.255   3.0474 1.651754 4.072001 
1 1 1   10   21   45 o   4.5054   1.7271   1.7000   2.5737   1.7000   2.5737   0.0000   0.0000   4.5054   1.7271  ?   ?  0.000000 1.727141 
1 1 1   10   21   46 o   21.363   2.7699   58.300   13.644   58.300   13.644   0.0000   0.0000   21.363   2.7699  ?   ?  0.000000 2.769923 
1 1 1   10   21   47 o   26.093   3.0901   89.500   18.670   89.500   18.670   0.0000   0.0000   26.093   3.0901  ?   ?  0.000000 3.090073 
1 1 1   10   21   48 o   5.9781   2.2941   3.4000   4.5435   3.4000   4.5435   0.0000   0.0000   5.9781   2.2941  ?   ?  0.000000 2.294058 
1 1 1   10   21   49 o   6.3415   2.3980   4.3000   4.9188   4.3000   4.9188   0.0000   0.0000   6.3415   2.3980  ?   ?  0.000000 2.397951 
1 1 1   10   21   50 o   10.421   2.8691   15.600   7.2839   15.600   7.2839   0.0000   0.0000   10.421   2.8691  ?   ?  0.000000 2.869131 
1 1 1   10   21   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   21   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   22    0 f   82.252   6.6162  817.400  126.591  817.400  126.591  817.400  126.591   82.252   6.6162   82.252   6.6162 0.000000 0.000000 
1 1 1   10   22    1 o  213.081   11.545  5511.32  578.729  5587.90  818.321  5434.70  818.571  211.593   16.509  208.479   16.770 3.113907 23.53195 
1 1 1   10   22    2 o  159.571   8.4779  3055.82  318.305  3301.00  450.455  2811.30  449.847  164.704   11.657  151.514   12.690 13.19044 17.23183 
1 1 1   10   22    3 o   47.942   2.8970  272.802   32.642  279.400   46.158  266.200   46.168   48.399   4.0768   47.220   4.1839 1.178486 5.841625 
1 1 1   10   22    4 o   60.665   3.4549  436.936   49.288  466.200   69.780  407.800   69.628   62.521   4.7623   58.404   5.0999 4.117249 6.977717 
1 1 1   10   22    5 o  127.526   5.6987  1932.47  171.606  2530.40  243.546  1342.90  241.839  145.675   7.0800  105.210   9.8490 40.46516 12.12970 
1 1 1   10   22    6 o  115.277   6.2090  1585.82  168.393  1646.50  238.304  1525.30  237.984  116.883   8.6964  112.381   9.0445 4.502190 12.54714 
1 1 1   10   22    7 o  202.735   11.086  4992.95  528.687  5202.30  747.140  4783.00  748.214  204.186   15.614  195.217   16.383 8.969055 22.63160 
1 1 1   10   22    8 o  129.556   7.0404  2009.11  214.575  2210.20  303.412  1807.90  303.499  135.143   9.5696  121.795   10.660 13.34787 14.32528 
1 1 1   10   22    9 f   58.856   3.4328  411.482   47.503  441.800   67.143  381.100   67.214   60.837   4.7106   56.419   5.1003 4.417458 6.942761 
1 1 1   10   22   10 o  168.900   9.2766  3447.77  368.565  3562.60  520.178  3332.00  522.288  169.798   13.074  163.872   13.621 5.925583 18.87994 
1 1 1   10   22   11 o  144.395   7.8695  2508.02  267.313  2953.40  377.988  2062.40  378.088  155.716   10.339  129.032   12.568 26.68393 16.27422 
1 1 1   10   22   12 o   60.407   3.5431  433.802   50.319  483.000   71.088  384.400   71.235   63.584   4.7694   56.580   5.3972 7.003929 7.202544 
1 1 1   10   22   13 o  141.881   7.7580  2426.78  258.932  2834.70  366.127  2018.60  366.242  152.240   10.244  127.346   12.334 24.89362 16.03323 
1 1 1   10   22   14 o   94.843   4.5970  1069.52  102.953  1395.80  146.032  747.100  145.167  107.988   5.7475   78.347   7.9570 29.64095 9.815687 
1 1 1   10   22   15 o  130.430   7.1547  2051.90  219.519  2080.60  309.907  2023.00  310.988  129.958   10.180  128.034   10.375 1.923965 14.53569 
1 1 1   10   22   16 f   78.987   4.4538  744.875   82.732  874.000  116.967  615.600  117.034   85.255   5.8454   71.162   7.0578 14.09296 9.164125 
1 1 1   10   22   17 o  113.990   6.1035  1564.45  163.691  1395.70  231.290  1733.80  231.699  106.283   9.3096  119.063   8.2929 -12.77980 12.46754 
1 1 1   10   22   18 o  100.796   5.3956  1220.83  127.958  1557.20  181.086  885.400  180.835  113.314   6.7991   84.333   9.2315 28.98135 11.46509 
1 1 1   10   22   19 o   87.792   4.8439  924.959  100.030  1009.50  141.540  840.600  141.388   91.102   6.6248   82.825   7.3039 8.276733 9.860804 
1 1 1   10   22   20 o   71.444   4.0043  610.736   67.283  666.000   95.207  555.600   95.097   74.201   5.4724   67.562   6.0240 6.638672 8.138495 
1 1 1   10   22   21 o   65.541   3.7346  513.818   57.559  546.900   81.441  480.800   81.361   67.236   5.1691   62.906   5.5336 4.330509 7.572334 
1 1 1   10   22   22 o   79.240   4.2442  754.075   79.126  871.100  112.081  637.800  111.722   84.652   5.6394   71.963   6.6498 12.68877 8.719056 
1 1 1   10   22   23 o   71.908   4.0854  621.450   69.085  625.000   97.707  617.900   97.694   71.466   5.8408   71.041   5.8764 0.4249954 8.285353 
1 1 1   10   22   24 o   84.716   4.7874  868.441   95.378  921.300  134.833  815.500  134.938   86.298   6.6683   80.897   7.1369 5.401039 9.767393 
1 1 1   10   22   25 o   22.622   1.8715   61.052   9.9074   64.300   14.008   57.800   14.015   23.111   2.6127   21.868   2.7766 1.243179 3.812567 
1 1 1   10   22   26 o   13.869   1.6315   23.090   5.2411   26.300   7.4831   20.000   7.3430   14.722   2.2216   12.750   2.5283 1.972619 3.365667 
1 1 1   10   22   27 o   45.801   2.8149  250.947   30.296  247.200   42.830  254.700   42.861   45.139   4.0617   45.842   3.9995 -0.7031250 5.700279 
1 1 1   10   22   28 o   54.353   3.1940  354.761   40.814  339.900   57.644  369.700   57.796   52.694   4.6814   55.050   4.4851 -2.355328 6.483184 
1 1 1   10   22   29 o   74.363   4.2273  672.161   73.924  644.200  104.472  700.200  104.618   71.604   6.2412   74.860   5.9679 -3.255638 8.635265 
1 1 1   10   22   30 f   40.115   2.5674  192.948   24.192  194.300   34.244  191.600   34.182   39.942   3.6719   39.654   3.6929 0.2874489 5.207755 
1 1 1   10   22   31 o   74.679   4.3317  685.624   76.058  704.400  107.493  666.800  107.631   74.200   6.1916   71.996   6.3976 2.203667 8.903087 
1 1 1   10   22   32 o   40.437   2.5936  196.905   24.635  201.900   34.822  191.900   34.857   40.557   3.6759   39.487   3.7846 1.069641 5.275957 
1 1 1   10   22   33 o   45.202   2.8031  247.183   29.773  231.500   42.082  262.900   42.128   43.108   4.1868   46.113   3.9056 -3.004524 5.725648 
1 1 1   10   22   34 o   37.261   2.4500  167.542   21.437  162.100   30.295  173.000   30.339   36.206   3.5908   37.469   3.4683 -1.263165 4.992273 
1 1 1   10   22   35 o   31.685   2.2171  120.997   16.483  122.100   23.345  119.900   23.276   31.496   3.1826   31.199   3.2050 0.2963428 4.516748 
1 1 1   10   22   36 o   30.001   2.1041  108.399   14.812  119.900   20.994   97.000   20.901   31.304   2.8721   28.002   3.2195 3.301870 4.314387 
1 1 1   10   22   37 o   22.276   1.8727   59.740   9.7591   60.600   13.886   58.900   13.718   22.211   2.7034   21.890   2.7120 0.3203773 3.829273 
1 1 1   10   22   38 f   21.892   1.8719   57.755   9.5836   57.400   13.643   58.100   13.465   21.580   2.7389   21.732   2.6808 -0.1518059 3.832546 
1 1 1   10   22   39 o   36.010   2.4210  157.656   20.466  153.400   28.964  161.900   28.923   34.943   3.5600   35.972   3.4473 -1.029003 4.955539 
1 1 1   10   22   40 o   22.962   1.7604   63.564   9.4728   77.800   13.486   49.700   13.309   25.249   2.2868   19.918   2.9160 5.330763 3.705714 
1 1 1   10   22   41 o   26.143   2.0221   83.022   12.386   78.600   17.276   87.700   17.768   25.030   2.9816   26.502   2.8859 -1.472557 4.149463 
1 1 1   10   22   42 o   14.267   1.7476   24.852   5.7645   24.900   7.9735   24.800   8.3435   14.054   2.4940   13.981   2.6236 0.7266140E-01 3.619833 
1 1 1   10   22   43 o   37.352   2.4721  172.649   21.681  159.900   30.370  185.900   30.962   34.938   3.7392   37.919   3.4973 -2.981564 5.119855 
1 1 1   10   22   44 o   11.670   2.4781   17.400   6.6176   17.400   6.6176   0.0000   0.0000   11.670   2.4781  ?   ?  0.000000 2.478064 
1 1 1   10   22   45 o   20.741   2.7276   54.700   13.035   54.700   13.035   0.0000   0.0000   20.741   2.7276  ?   ?  0.000000 2.727648 
1 1 1   10   22   46 o   13.032   2.5282   21.900   7.4992   21.900   7.4992   0.0000   0.0000   13.032   2.5282  ?   ?  0.000000 2.528217 
1 1 1   10   22   47 o   10.640   2.7256   15.100   6.8784   15.100   6.8784   0.0000   0.0000   10.640   2.7256  ?   ?  0.000000 2.725586 
1 1 1   10   22   48 o   5.6426   2.2388   2.6000   4.4470   2.6000   4.4470   0.0000   0.0000   5.6426   2.2388  ?   ?  0.000000 2.238814 
1 1 1   10   22   49 o   8.3093   2.5945   9.4000   5.6472   9.4000   5.6472   0.0000   0.0000   8.3093   2.5945  ?   ?  0.000000 2.594491 
1 1 1   10   22   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   22   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   23    0 o   76.473   6.2132  706.800  110.494  706.800  110.494  706.800  110.494   76.473   6.2132   76.473   6.2132 -0.000000 0.000000 
1 1 1   10   23    1 o   86.508   4.7496  890.442   96.652  944.700  136.760  836.300  136.613   88.808   6.5680   83.445   6.9977 5.363152 9.597279 
1 1 1   10   23    2 o  161.668   8.6789  3144.19  330.111  3284.10  467.026  3004.50  466.669  163.798   12.161  156.359   12.750 7.438873 17.62014 
1 1 1   10   23    3 o   69.443   3.6403  572.556   59.486  452.800   83.936  693.400   84.316   61.427   5.8576   76.309   4.7021 -14.88213 7.511395 
1 1 1   10   23    4 o  207.025   9.8383  5168.12  480.957  6411.00  681.562  3935.30  678.799  228.703   12.670  176.752   16.452 51.95097 20.76553 
1 1 1   10   23    5 o  122.265   6.1087  1779.76  176.365  2119.50  249.876  1442.50  248.962  132.800   8.0057  108.959   9.7804 23.84084 12.63910 
1 1 1   10   23    6 o  170.827   9.1410  3521.34  367.399  3395.70  518.740  3647.80  520.425  165.732   13.369  172.067   12.902 -6.335205 18.57954 
1 1 1   10   23    7 o   84.432   4.6671  848.612   92.689  838.100  130.847  859.200  131.317   83.546   6.6885   84.611   6.6254 -1.064903 9.414502 
1 1 1   10   23    8 o   59.392   3.4547  419.126   48.241  426.600   68.107  411.600   68.340   59.737   4.8706   58.654   4.9813 1.083454 6.966790 
1 1 1   10   23    9 o  129.468   7.0797  2011.04  215.622  2220.00  304.833  1801.80  305.036  135.162   9.6136  121.254   10.766 13.90837 14.43322 
1 1 1   10   23   10 o   59.695   3.4868  423.608   48.937  466.400   69.160  380.700   69.255   62.480   4.7225   56.324   5.2683 6.156673 7.075057 
1 1 1   10   23   11 o   78.513   4.3065  734.068   79.536  887.300  112.547  581.200  112.414   86.111   5.5647   69.320   6.9616 16.79129 8.912361 
1 1 1   10   23   12 o   72.493   3.8900  625.348   66.347  561.600   93.357  690.400   94.307   68.343   5.8409   75.939   5.2922 -7.596176 7.881889 
1 1 1   10   23   13 o   47.686   2.8280  270.190   31.703  342.800   44.884  197.900   44.785   53.645   3.5635   40.503   4.7743 13.14211 5.957563 
1 1 1   10   23   14 o  143.642   7.8528  2501.78  265.349  2494.80  374.620  2508.80  375.905  141.478   11.308  141.872   11.315 -0.3941193 15.99668 
1 1 1   10   23   15 o  129.226   7.1965  2021.83  218.730  2294.70  309.145  1748.30  309.516  136.370   9.6628  118.042   11.240 18.32751 14.82241 
1 1 1   10   23   16 o  112.135   6.1956  1516.48  163.418  1539.60  230.722  1493.20  231.496  111.808   8.8103  110.008   8.9902 1.799736 12.58747 
1 1 1   10   23   17 o   9.9665   1.7028   12.076   3.8635   16.100   5.4465   8.0000   5.4812   11.487   2.0846   8.2403   2.5533 3.247075 3.296231 
1 1 1   10   23   18 o   30.702   2.1671  112.155   15.611  109.600   22.100  114.700   22.054   30.218   3.1431   30.934   3.0593 -0.7152691 4.386102 
1 1 1   10   23   19 o   44.330   2.6741  233.949   27.861  263.800   39.468  204.300   39.335   46.936   3.5882   41.174   4.1003 5.762848 5.448591 
1 1 1   10   23   20 o   69.771   3.9752  583.161   65.222  593.300   92.188  573.000   92.287   69.876   5.6350   68.623   5.7481 1.252853 8.049464 
1 1 1   10   23   21 o   79.797   4.3131  765.293   80.970  884.000  114.658  647.200  114.361   85.222   5.7309   72.423   6.7655 12.79854 8.866536 
1 1 1   10   23   22 o   39.552   2.4944  186.439   23.177  176.600   32.596  196.500   32.962   38.282   3.6500   40.434   3.4864 -2.151577 5.047510 
1 1 1   10   23   23 o   93.030   5.0392  1049.34  110.288  1174.60  156.162  924.700  155.780   97.394   6.8334   85.774   7.7757 11.61995 10.35172 
1 1 1   10   23   24 o   52.004   3.0396  323.411   37.164  362.900   52.617  284.100   52.499   54.825   4.0939   48.308   4.6600 6.516994 6.202882 
1 1 1   10   23   25 o   37.613   2.4507  168.849   21.648  168.400   30.573  169.300   30.655   37.355   3.5071   37.455   3.5068 -0.1005707 4.959589 
1 1 1   10   23   26 o   45.122   2.7888  243.505   29.569  249.600   41.799  237.400   41.834   45.401   3.9378   44.238   4.0497 1.163349 5.648567 
1 1 1   10   23   27 o   11.855   1.6702   16.978   4.5459   21.600   6.4095   12.300   6.4484   13.327   2.1068   9.9891   2.6787 3.337610 3.407948 
1 1 1   10   23   28 o   38.791   2.5066  180.003   22.838  181.900   32.270  178.100   32.324   38.740   3.5677   38.317   3.6152 0.4231415 5.079231 
1 1 1   10   23   29 o   44.689   2.7750  239.753   29.139  242.100   41.180  237.400   41.237   44.533   3.9573   44.078   4.0057 0.4549561 5.630729 
1 1 1   10   23   30 o   24.193   1.9349   70.050   10.962   70.900   15.502   69.200   15.502   24.174   2.7654   23.870   2.8036 0.3039284 3.937965 
1 1 1   10   23   31 o   15.378   1.6794   28.427   5.9992   33.100   8.5057   23.800   8.4629   16.504   2.2405   13.858   2.6830 2.645284 3.495488 
1 1 1   10   23   32 o   34.513   2.3329  143.248   18.901  142.000   26.709  144.500   26.751   34.029   3.3681   34.340   3.3412 -0.3107834 4.744281 
1 1 1   10   23   33 o   24.571   1.9792   72.538   11.386   82.500   16.072   62.500   16.133   26.045   2.6502   22.499   3.1206 3.546602 4.094149 
1 1 1   10   23   34 o   43.149   2.7317  225.853   27.690  214.900   39.164  236.800   39.154   41.430   4.0552   43.631   3.8394 -2.201340 5.584412 
1 1 1   10   23   35 o   35.848   2.3836  155.268   20.063  166.200   28.414  144.400   28.332   36.714   3.3132   34.085   3.5731 2.628872 4.872832 
1 1 1   10   23   36 o   37.516   2.4740  170.500   21.794  170.600   30.871  170.400   30.771   37.027   3.5753   37.010   3.5651 0.1651764E-01 5.048970 
1 1 1   10   23   37 o   46.582   2.9162  265.360   31.915  282.500   45.122  248.200   45.147   47.306   4.0792   44.096   4.3943 3.209644 5.995835 
1 1 1   10   23   38 o   32.366   2.2308  126.772   16.945  135.700   24.001  117.900   23.927   33.123   3.1049   30.742   3.3503 2.381193 4.567787 
1 1 1   10   23   39 o   62.939   3.7248  499.877   55.113  537.600   78.068  462.400   77.814   63.298   5.2710   58.031   5.7544 5.266136 7.803589 
1 1 1   10   23   40 o   39.687   2.4024  192.402   22.408  229.300   31.820  156.100   31.562   42.822   3.1693   34.787   3.9100 8.035545 5.033140 
1 1 1   10   23   41 o   23.825   2.0064   69.096   11.183   76.100   15.710   61.900   15.923   24.704   2.7391   22.067   3.1447 2.636738 4.170363 
1 1 1   10   23   42 o   27.575   2.1839   93.233   14.104  104.900   19.794   81.200   20.102   28.836   2.9484   25.016   3.4987 3.820654 4.575364 
1 1 1   10   23   43 o   18.324   1.7871   40.935   7.6340   37.900   10.604   44.200   10.999   17.290   2.6843   18.756   2.5495 -1.465693 3.702081 
1 1 1   10   23   44 o   11.282   2.4602   16.300   6.3694   16.300   6.3694   0.0000   0.0000   11.282   2.4602  ?   ?  0.000000 2.460172 
1 1 1   10   23   45 o   13.474   2.5596   23.300   7.8462   23.300   7.8462   0.0000   0.0000   13.474   2.5596  ?   ?  0.000000 2.559614 
1 1 1   10   23   46 o   24.476   3.1205   79.000   17.625   79.000   17.625   0.0000   0.0000   24.476   3.1205  ?   ?  0.000000 3.120468 
1 1 1   10   23   47 o   18.683   2.9065   46.800   12.406   46.800   12.406   0.0000   0.0000   18.683   2.9065  ?   ?  0.000000 2.906496 
1 1 1   10   23   48 o   10.104   2.7746   14.200   6.8219   14.200   6.8219   0.0000   0.0000   10.104   2.7746  ?   ?  0.000000 2.774576 
1 1 1   10   23   49 o   15.613   2.8742   34.300   10.206   34.300   10.206   0.0000   0.0000   15.613   2.8742  ?   ?  0.000000 2.874191 
1 1 1   10   23   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   23   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   24    0 o  102.865   8.1530  1282.40  195.175  1282.40  195.175  1282.40  195.175  102.865   8.1530  102.865   8.1530 0.000000 0.000000 
1 1 1   10   24    1 o   35.526   2.3407  149.855   19.526  174.500   27.639  125.300   27.588   38.277   3.0841   32.317   3.6809 5.960182 4.802145 
1 1 1   10   24    2 o   87.197   4.8280  905.522   99.023  883.500  140.110  927.500  139.970   85.722   6.9824   87.885   6.7975 -2.162209 9.744742 
1 1 1   10   24    3 o  146.578   7.9296  2583.30  273.440  2584.90  386.764  2581.70  386.640  145.259   11.366  145.167   11.370 0.9233093E-01 16.07703 
1 1 1   10   24    4 o   63.117   3.5588  473.353   52.825  507.000   74.814  439.900   74.598   65.151   4.8988   60.603   5.2651 4.547867 7.191661 
1 1 1   10   24    5 o   89.576   4.9819  956.384  104.961  1028.20  148.350  884.400  148.524   92.514   6.8393   85.629   7.4187 6.884590 10.09020 
1 1 1   10   24    6 o  147.663   8.2148  2628.97  285.307  2974.70  403.152  2282.10  403.819  155.838   11.027  135.556   12.766 20.28238 16.86882 
1 1 1   10   24    7 o   95.107   5.1368  1078.96  114.935  1304.50  162.630  853.900  162.457  104.264   6.6400   83.843   8.3152 20.42091 10.64110 
1 1 1   10   24    8 o   35.340   2.3662  148.361   19.632  151.500   27.716  145.200   27.811   35.608   3.3352   34.842   3.4245 0.7660446 4.780278 
1 1 1   10   24    9 o   59.714   4.9407  427.100   69.042  427.100   69.042   0.0000   0.0000   59.714   4.9407  ?   ?  0.000000 4.940689 
1 1 1   10   24   10 o   75.066   4.1016  671.046   72.429  623.600  102.054  719.200  102.812   71.984   6.0602   77.429   5.6624 -5.444412 8.293939 
1 1 1   10   24   11 o  148.005   7.2697  2635.53  254.070  3562.20  359.937  1715.30  358.685  171.039   8.9430  116.277   13.303 54.76128 16.02936 
1 1 1   10   24   12 o   14.507   1.7463   25.238   5.8621   21.700   8.3976   28.600   8.1869   13.292   2.7656   15.375   2.3277 -2.083595 3.614782 
1 1 1   10   24   13 o   50.050   3.0396  298.015   35.754  326.200   50.506  269.700   50.622   52.213   4.1302   47.367   4.5832 4.846195 6.169618 
1 1 1   10   24   14 o   26.785   2.0346   85.355   12.772   85.800   17.964   84.900   18.162   26.751   2.8897   26.602   2.9406 0.1495667 4.122788 
1 1 1   10   24   15 o   48.909   3.0136  284.815   34.635  350.200   48.939  219.200   49.025   54.121   3.8545   42.539   4.9744 11.58201 6.293043 
1 1 1   10   24   16 o  105.585   5.8281  1345.34  144.745  1550.30  204.703  1140.40  204.698  112.452   7.7564   95.654   9.1751 16.79810 12.01429 
1 1 1   10   24   17 o   53.189   3.1409  337.234   39.274  365.400   55.557  309.100   55.527   55.152   4.2999   50.610   4.7000 4.542389 6.370171 
1 1 1   10   24   18 o  112.202   6.1077  1528.05  161.213  1419.80  227.775  1636.70  228.205  106.357   9.1587  114.710   8.4851 -8.352516 12.48508 
1 1 1   10   24   19 o  106.145   5.7782  1367.18  144.283  1471.20  204.267  1263.60  203.828  108.796   8.0073  100.345   8.6878 8.450203 11.81507 
1 1 1   10   24   20 o   59.947   3.4901  430.008   49.191  443.200   69.544  416.800   69.588   60.476   4.9123   58.583   5.0807 1.892937 7.067150 
1 1 1   10   24   21 o   68.605   3.8881  564.897   62.729  545.000   88.595  584.900   88.831   66.774   5.6725   69.269   5.4754 -2.495392 7.883963 
1 1 1   10   24   22 o   73.777   4.1579  655.195   72.141  693.800  102.095  616.700  101.949   75.264   5.7890   70.765   6.1626 4.499237 8.455160 
1 1 1   10   24   23 o   35.574   2.3381  150.892   19.531  165.500   27.677  136.400   27.567   37.114   3.1890   33.598   3.5273 3.515972 4.755202 
1 1 1   10   24   24 o   75.488   4.2485  688.247   75.423  726.200  106.738  650.400  106.590   76.743   5.9362   72.414   6.2962 4.329597 8.653384 
1 1 1   10   24   25 o   20.165   1.7965   48.572   8.4650   51.100   12.038   46.100   11.906   20.575   2.5311   19.504   2.6539 1.070593 3.667407 
1 1 1   10   24   26 o   36.182   2.4078  156.411   20.454  157.100   28.710  155.700   29.148   36.049   3.4133   35.869   3.4853 0.1802750 4.878328 
1 1 1   10   24   27 o   72.078   4.2752  631.462   72.441  675.200  102.143  587.200  102.753   73.592   5.9281   68.269   6.4504 5.322205 8.760691 
1 1 1   10   24   28 o   48.523   2.8482  282.669   32.492  336.200   46.007  229.400   45.894   52.634   3.7257   43.116   4.5777 9.517986 5.902243 
1 1 1   10   24   29 o   55.749   3.2874  375.766   43.085  438.700   60.948  312.900   60.915   59.742   4.3503   49.952   5.2425 9.789883 6.812388 
1 1 1   10   24   30 o   48.738   2.9584  286.879   33.886  280.800   47.842  293.000   48.003   47.633   4.2999   48.706   4.2153 -1.073818 6.021391 
1 1 1   10   24   31 o   39.658   2.5478  189.488   23.733  184.800   33.521  194.200   33.606   38.733   3.7104   39.753   3.6197 -1.019882 5.183580 
1 1 1   10   24   32 o   47.399   2.9231  272.544   32.558  262.500   46.031  282.600   46.057   45.809   4.3059   47.645   4.1347 -1.835815 5.969611 
1 1 1   10   24   33 o   44.911   2.8187  244.857   29.741  255.900   42.047  233.800   42.073   45.321   3.9689   43.185   4.1781 2.135628 5.762682 
1 1 1   10   24   34 f   44.163   2.7844  237.007   28.888  266.500   40.849  207.500   40.859   46.307   3.7683   40.497   4.3403 5.810432 5.747900 
1 1 1   10   24   35 o   33.269   2.2909  133.649   17.888  133.000   25.272  134.300   25.322   32.800   3.3081   32.966   3.2971 -0.1662292 4.670570 
1 1 1   10   24   36 o   27.179   2.0636   89.054   13.145   98.000   18.585   80.100   18.594   28.274   2.8214   25.411   3.1675 2.862917 4.241827 
1 1 1   10   24   37 o   17.111   1.7687   35.349   7.0434   30.400   10.011   40.200   9.9118   15.585   2.8241   18.110   2.3751 -2.524420 3.690086 
1 1 1   10   24   38 o   19.519   1.8020   46.010   8.2118   49.800   11.597   42.200   11.629   20.116   2.4950   18.410   2.7602 1.706676 3.720699 
1 1 1   10   24   39 o   30.637   2.0797  113.757   14.957  132.000   21.236   95.800   21.069   32.695   2.7769   27.564   3.3027 5.130335 4.314940 
1 1 1   10   24   40 o   19.817   1.8016   47.588   8.3383   48.800   11.851   46.400   11.734   19.805   2.5967   19.286   2.6463 0.5188923 3.707560 
1 1 1   10   24   41 o   15.829   1.9366   30.726   7.0880   39.600   9.7547   20.800   10.317   17.848   2.3733   12.583   3.3941 5.265005 4.141523 
1 1 1   10   24   42 f   7.3707   1.8067   6.8190   3.1203   7.2000   4.1088   6.3000   4.7959   7.5863   2.1788   7.2829   2.4025 0.3033986 3.243310 
1 1 1   10   24   43 o   7.0490   1.8777   6.2326   3.1815   6.4000   3.9011   5.9000   5.4978   7.1833   2.1398   7.2763   2.5683 -0.9302711E-01 3.342907 
1 1 1   10   24   44 o   12.486   2.5321   20.000   7.2100   20.000   7.2100   0.0000   0.0000   12.486   2.5321  ?   ?  0.000000 2.532122 
1 1 1   10   24   45 o   31.988   3.6092  137.300   26.786  137.300   26.786   0.0000   0.0000   31.988   3.6092  ?   ?  0.000000 3.609195 
1 1 1   10   24   46 o   9.9986   2.6617   13.300   6.3955   13.300   6.3955   0.0000   0.0000   9.9986   2.6617  ?   ?  0.000000 2.661673 
1 1 1   10   24   47 o   13.158   2.8421   23.700   8.5726   23.700   8.5726   0.0000   0.0000   13.158   2.8421  ?   ?  0.000000 2.842127 
1 1 1   10   24   48 o   11.319   2.7852   18.000   7.3935   18.000   7.3935   0.0000   0.0000   11.319   2.7852  ?   ?  0.000000 2.785215 
1 1 1   10   24   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   24   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   25    0 o  249.985   20.217  7941.40  1175.45  7941.40  1175.45  7941.40  1175.45  249.985   20.217  249.985   20.217 0.000000 0.000000 
1 1 1   10   25    1 o  113.300   6.1655  1536.58  164.334  1562.90  232.468  1510.30  232.338  113.498   8.7411  111.507   8.8979 1.991173 12.47314 
1 1 1   10   25    2 o  154.557   8.1485  2882.35  296.340  2437.10  418.806  3328.80  419.370  139.861   12.824  164.798   10.837 -24.93646 16.78963 
1 1 1   10   25    3 o   41.286   2.6081  202.459   25.296  199.200   35.825  205.700   35.724   40.819   3.7589   41.495   3.6842 -0.6760101 5.263394 
1 1 1   10   25    4 o  212.555   11.815  5575.71  590.700  6528.80  835.198  4621.80  835.554  226.366   15.722  186.990   19.195 39.37589 24.81244 
1 1 1   10   25    5 o  111.212   6.1608  1482.04  161.156  1574.90  227.614  1388.70  228.206  113.904   8.5243  106.698   9.1460 7.205910 12.50250 
1 1 1   10   25    6 o  206.452   9.9412  5194.70  484.643  6873.90  686.682  3528.10  684.102  235.171   12.409  163.763   17.987 71.40727 21.85224 
1 1 1   10   25    7 o  107.289   5.6214  1377.31  141.923  1238.00  200.114  1518.30  201.309  100.841   8.4826  112.043   7.6546 -11.20169 11.42576 
1 1 1   10   25    8 o  133.897   7.3682  2163.73  232.071  2267.20  327.910  2059.90  328.487  135.685   10.312  128.996   10.886 6.688736 14.99417 
1 1 1   10   25    9 o   42.140   2.7172  211.117   26.895  224.500   37.802  197.400   38.272   43.334   3.7306   40.566   4.0495 2.768349 5.506005 
1 1 1   10   25   10 o   89.897   4.7504  965.506  100.483  1178.60  142.320  753.700  141.890   98.983   6.1190   78.596   7.7459 20.38756 9.871224 
1 1 1   10   25   11 o   21.477   1.8512   54.943   9.2963   64.800   13.152   45.100   13.142   23.272   2.4291   19.284   2.9823 3.988251 3.846416 
1 1 1   10   25   12 o  109.265   6.0994  1438.51  156.746  1487.30  221.092  1389.20  222.257  110.047   8.5758  106.152   8.9502 3.894470 12.39559 
1 1 1   10   25   13 o   95.928   5.1868  1104.46  117.054  1338.20  165.641  871.300  165.438  105.062   6.7117   84.010   8.4544 21.05228 10.79463 
1 1 1   10   25   14 o   31.108   2.1869  115.117   15.962  112.300   22.442  118.000   22.707   30.597   3.1511   31.379   3.1053 -0.7816620 4.424058 
1 1 1   10   25   15 o   40.398   2.4298  194.069   23.071  171.300   32.328  217.700   32.935   37.762   3.6719   42.675   3.2937 -4.913136 4.932675 
1 1 1   10   25   16 o   50.952   3.0062  309.376   36.010  345.100   50.979  273.800   50.873   53.630   4.0555   47.622   4.5805 6.008003 6.117808 
1 1 1   10   25   17 o   44.282   2.6128  233.436   27.200  276.800   38.539  190.400   38.393   48.102   3.4151   39.706   4.1564 8.395943 5.379471 
1 1 1   10   25   18 o   64.094   3.5634  491.298   53.718  553.100   76.125  430.000   75.814   67.679   4.7944   59.427   5.4637 8.251728 7.268989 
1 1 1   10   25   19 o   60.514   3.4632  438.147   49.282  407.800   69.578  468.700   69.813   57.911   5.1415   62.230   4.7877 -4.318626 7.025441 
1 1 1   10   25   20 o  119.992   6.7094  1773.66  189.346  1862.30  267.766  1685.00  267.787  120.519   9.4856  114.070   10.044 6.448196 13.81513 
1 1 1   10   25   21 o   50.469   3.0280  304.448   35.920  307.200   50.813  301.700   50.784   50.385   4.3124   49.918   4.3518 0.4672356 6.126567 
1 1 1   10   25   22 o   44.611   2.6978  237.584   28.286  267.600   40.080  207.800   39.925   47.155   3.6273   41.393   4.1402 5.762314 5.504388 
1 1 1   10   25   23 o   10.553   1.7168   13.529   4.1311   11.900   5.8052   15.200   5.8800   9.8182   2.4979   11.109   2.3165 -1.290901 3.406721 
1 1 1   10   25   24 o   45.067   2.7872  242.895   29.515  245.700   41.781  240.100   41.701   45.037   3.9693   44.505   4.0112 0.5320358 5.643137 
1 1 1   10   25   25 o   60.400   3.5243  439.144   50.048  459.500   70.788  418.800   70.768   61.235   4.9375   58.330   5.1921 2.904301 7.164997 
1 1 1   10   25   26 o   41.627   2.6263  207.397   25.683  218.100   36.327  196.700   36.316   42.428   3.6618   40.216   3.8721 2.212063 5.329322 
1 1 1   10   25   27 o   20.578   1.8189   50.654   8.7470   52.200   12.354   49.100   12.387   20.759   2.5755   20.104   2.6757 0.6558208 3.713798 
1 1 1   10   25   28 o   47.733   2.9322  274.364   32.890  296.800   46.499  251.900   46.528   49.236   4.0349   45.172   4.4185 4.063808 5.983633 
1 1 1   10   25   29 o   52.359   3.1310  331.673   38.533  370.300   54.513  293.100   54.475   54.794   4.2463   48.408   4.8301 6.385452 6.431226 
1 1 1   10   25   30 o   39.443   2.5232  187.319   23.378  201.600   33.097  173.100   33.026   40.576   3.4882   37.458   3.7858 3.118519 5.147809 
1 1 1   10   25   31 o   5.2439   1.7545   3.0795   2.5550   5.4000   3.2627  -0.6000   4.1084   6.6680   1.9492   4.6533   2.0186 2.014762 2.806125 
1 1 1   10   25   32 o   31.560   2.2194  119.900   16.435  120.200   23.226  119.600   23.259   31.285   3.1884   31.202   3.2023 0.8388329E-01 4.518929 
1 1 1   10   25   33 o   14.821   1.7052   26.514   5.8591   28.400   8.2566   24.600   8.3157   15.200   2.3784   14.072   2.5982 1.127482 3.522412 
1 1 1   10   25   34 o   12.075   1.6813   17.702   4.6638   18.000   6.5739   17.400   6.6175   12.028   2.3986   11.811   2.4529 0.2171583 3.430757 
1 1 1   10   25   35 o   34.483   2.3386  143.730   18.930  140.300   26.692  147.200   26.849   33.635   3.4078   34.492   3.3383 -0.8570518 4.770425 
1 1 1   10   25   36 o   39.278   2.5487  187.336   23.511  173.500   33.233  201.200   33.267   37.148   3.8442   40.208   3.5398 -3.060219 5.225691 
1 1 1   10   25   37 o   35.840   2.3773  155.965   20.005  167.200   28.336  144.800   28.248   36.652   3.3097   33.943   3.5782 2.708241 4.874222 
1 1 1   10   25   38 o   23.542   1.9592   67.090   10.792   73.400   15.214   60.700   15.312   24.377   2.6877   22.013   3.0257 2.364876 4.047088 
1 1 1   10   25   39 o   26.771   2.0220   86.969   12.688   98.300   17.968   75.700   17.920   28.166   2.7361   24.485   3.1739 3.680979 4.190440 
1 1 1   10   25   40 o   32.883   2.4289  133.037   18.727  150.000   26.303  115.600   26.668   34.375   3.2802   29.728   3.8924 4.647154 5.090260 
1 1 1   10   25   41 o   41.495   2.6431  213.868   25.763  199.200   36.096  229.100   36.783   38.847   3.9917   41.928   3.7549 -3.080791 5.480229 
1 1 1   10   25   42 o   33.026   2.2691  134.167   17.589  123.800   24.550  145.100   25.211   30.951   3.4160   33.696   3.2072 -2.745417 4.685634 
1 1 1   10   25   43 o   3.9368   1.5838   0.8889   2.2571  -0.3000   2.6421   4.1000   4.3422   3.7421   1.6211   6.2679   2.2741 -2.525836 2.792737 
1 1 1   10   25   44 o   15.597   2.7542   31.400   9.7733   31.400   9.7733   0.0000   0.0000   15.597   2.7542  ?   ?  0.000000 2.754248 
1 1 1   10   25   45 o   11.117   2.6567   16.300   6.8791   16.300   6.8791   0.0000   0.0000   11.117   2.6567  ?   ?  0.000000 2.656688 
1 1 1   10   25   46 o   10.298   2.8773   14.500   7.2672   14.500   7.2672   0.0000   0.0000   10.298   2.8773  ?   ?  0.000000 2.877348 
1 1 1   10   25   47 o   10.624   2.6956   15.600   6.7736   15.600   6.7736   0.0000   0.0000   10.624   2.6956  ?   ?  0.000000 2.695616 
1 1 1   10   25   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   25   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   25   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   26    0 o  108.243   8.5925  1426.50  216.441  1426.50  216.441  1426.50  216.441  108.243   8.5925  108.243   8.5925 0.000000 0.000000 
1 1 1   10   26    1 o  216.303   11.559  5794.26  588.257  6455.60  832.737  5135.50  831.107  223.846   15.857  197.151   18.053 26.69525 24.02798 
1 1 1   10   26    2 o   68.621   3.7967  560.444   61.282  620.500   86.779  500.700   86.553   71.984   5.1390   64.503   5.7425 7.480774 7.706198 
1 1 1   10   26    3 o   92.285   4.3042  1012.16   93.796  748.800  131.873  1281.80  133.437   78.610   7.1836  103.503   5.4791 -24.89294 9.034629 
1 1 1   10   26    4 o   82.454   4.5988  811.351   89.184  811.600  125.800  811.100  126.451   82.020   6.5499   81.985   6.5873 0.3511047E-01 9.289453 
1 1 1   10   26    5 o  109.606   6.1508  1443.01  158.551  1668.40  224.024  1216.80  224.427  117.151   8.1489   99.351   9.6896 17.80001 12.66066 
1 1 1   10   26    6 o   64.964   3.7307  502.629   56.990  562.900   80.576  442.300   80.615   68.532   5.0139   60.562   5.7043 7.970146 7.594575 
1 1 1   10   26    7 o   63.167   3.6502  475.238   54.215  485.500   76.531  464.900   76.813   63.579   5.1415   62.178   5.2816 1.401489 7.370937 
1 1 1   10   26    8 o   80.614   4.5199  776.433   85.694  786.400  120.993  766.400  121.388   80.659   6.4052   79.588   6.5161 1.070389 9.137099 
1 1 1   10   26    9 o   95.613   5.3210  1096.64  119.660  1371.10  169.198  822.000  169.253  106.449   6.7663   81.525   8.9384 24.92341 11.21067 
1 1 1   10   26   10 o   71.330   3.8788  606.899   65.088  542.600   91.659  672.300   92.441   66.990   5.8531   74.776   5.2690 -7.785919 7.875382 
1 1 1   10   26   11 o  118.546   6.5619  1701.31  182.971  1734.80  258.356  1667.60  259.166  118.244   9.3287  115.775   9.5655 2.468277 13.36124 
1 1 1   10   26   12 o   79.804   4.4972  762.750   84.402  855.800  119.330  669.600  119.394   84.077   6.0509   74.031   6.9096 10.04617 9.184583 
1 1 1   10   26   13 o   89.015   4.5480  949.583   95.279  799.300  134.077  1102.90  135.424   80.777   7.1013   95.427   6.0410 -14.64999 9.323209 
1 1 1   10   26   14 o   4.7202   1.7340   2.0803   2.5358   4.1000   3.2845  -0.9000   3.9898   6.0320   1.9881   4.5189   1.9744 1.513035 2.801936 
1 1 1   10   26   15 o   88.703   5.0611  948.333  105.570  1014.50  148.983  881.600  149.617   90.931   6.9920   84.450   7.5836 6.480988 10.31496 
1 1 1   10   26   16 o   16.486   1.7239   32.510   6.6119   31.200   9.3883   33.800   9.3135   16.019   2.5688   16.710   2.4316 -0.6915874 3.537171 
1 1 1   10   26   17 o   33.019   2.2063  129.806   17.103  147.200   24.254  112.600   24.122   35.062   2.9571   30.554   3.4011 4.507765 4.506830 
1 1 1   10   26   18 f   66.750   3.7954  534.249   59.576  500.200   84.190  568.400   84.316   63.993   5.6287   68.384   5.2619 -4.391125 7.705145 
1 1 1   10   26   19 o   59.822   3.4618  428.562   48.694  452.800   68.917  404.400   68.809   61.103   4.8154   57.628   5.1095 3.475227 7.021068 
1 1 1   10   26   20 o   77.902   4.4214  732.475   81.000  775.500  114.517  689.400  114.585   79.369   6.1585   74.597   6.5721 4.772217 9.006598 
1 1 1   10   26   21 o   17.229   1.7475   35.515   7.0108   33.200   9.9474   37.800   9.8825   16.508   2.6409   17.676   2.4321 -1.168310 3.590172 
1 1 1   10   26   22 o   57.389   3.3615  395.035   45.355  406.300   64.186  383.800   64.099   57.763   4.7478   56.079   4.8894 1.684151 6.815237 
1 1 1   10   26   23 o   49.770   2.9973  296.633   35.061  313.400   49.609  279.900   49.558   50.836   4.1693   47.942   4.4277 2.894012 6.081755 
1 1 1   10   26   24 o   24.045   1.9266   69.028   10.847   76.500   15.363   61.600   15.318   25.209   2.6190   22.528   2.9503 2.681204 3.945095 
1 1 1   10   26   25 o   99.059   5.5909  1213.74  130.243  1296.90  184.253  1130.70  184.130  100.249   7.8460   92.914   8.4860 7.335587 11.55737 
1 1 1   10   26   26 o   47.789   2.9257  274.454   32.856  278.500   46.444  270.400   46.488   47.719   4.1634   46.987   4.2354 0.7321548 5.939052 
1 1 1   10   26   27 o   15.942   1.7158   30.518   6.3576   32.800   8.9555   28.200   9.0269   16.415   2.3798   15.149   2.6182 1.266401 3.538138 
1 1 1   10   26   28 f   23.908   1.9077   68.441   10.681   77.400   15.155   59.600   15.055   25.299   2.5726   22.074   2.9631 3.224936 3.924118 
1 1 1   10   26   29 o   32.968   2.2772  130.552   17.619  130.000   24.967  131.100   24.868   32.600   3.2881   32.749   3.2591 -0.1486816 4.629617 
1 1 1   10   26   30 o   40.637   2.5775  199.201   24.606  188.600   34.718  209.900   34.878   39.049   3.8138   41.306   3.6122 -2.257172 5.252884 
1 1 1   10   26   31 o   30.137   2.1676  109.256   15.322  126.400   21.665   92.100   21.672   32.209   2.8789   27.264   3.4431 4.944939 4.488135 
1 1 1   10   26   32 o   37.509   2.4661  169.993   21.721  167.200   30.681  172.800   30.755   36.740   3.5820   37.382   3.5257 -0.6420021 5.026023 
1 1 1   10   26   33 o   28.642   2.1367   98.842   14.348  107.900   20.244   89.700   20.337   29.682   2.9263   26.917   3.2666 2.764843 4.385689 
1 1 1   10   26   34 o   13.181   1.6701   21.032   5.0815   16.300   6.8559   26.800   7.5697   11.398   2.6043   14.781   2.2390 -3.382933 3.434427 
1 1 1   10   26   35 o   20.332   1.8043   49.768   8.5728   58.200   12.147   41.400   12.101   21.851   2.3933   18.239   2.9073 3.611759 3.765665 
1 1 1   10   26   36 o   11.376   1.7318   15.807   4.5052   13.400   6.3157   18.300   6.4283   10.314   2.5953   12.122   2.3304 -1.808294 3.488023 
1 1 1   10   26   37 o   28.872   2.1324  101.014   14.435  109.500   20.398   92.500   20.431   29.731   2.9441   27.166   3.2495 2.565762 4.384835 
1 1 1   10   26   38 o   33.045   2.2341  132.877   17.330  156.500   24.547  109.400   24.471   35.492   2.9558   29.271   3.6174 6.221159 4.671387 
1 1 1   10   26   39 o   8.7654   1.7248   9.5401   3.4429   9.9000   4.9393   9.2000   4.8015   8.8542   2.3306   8.5475   2.3197 0.3066387 3.288226 
1 1 1   10   26   40 f   19.808   1.7743   47.649   8.2113   40.200   11.087   56.700   12.221   17.846   2.7167   21.360   2.4683 -3.514477 3.670542 
1 1 1   10   26   41 o   24.656   1.9551   74.153   11.290   68.600   15.830   79.900   16.105   23.244   2.9505   25.219   2.7489 -1.974936 4.032647 
1 1 1   10   26   42 o   14.190   1.9008   24.823   6.2094   28.400   8.3506   20.400   9.2866   15.005   2.4406   12.448   3.1551 2.557022 3.988877 
1 1 1   10   26   43 o   6.2223   2.0806   4.5158   3.5930   6.5000   4.6578   1.6000   5.6463   7.3166   2.3650   5.9539   2.4631 1.362670 3.414714 
1 1 1   10   26   44 o   30.881   3.4521  127.200   24.743  127.200   24.743   0.0000   0.0000   30.881   3.4521  ?   ?  0.000000 3.452136 
1 1 1   10   26   45 o   17.447   2.9979   40.900   11.906   40.900   11.906   0.0000   0.0000   17.447   2.9979  ?   ?  0.000000 2.997904 
1 1 1   10   26   46 o   10.225   2.7634   14.400   6.8309   14.400   6.8309   0.0000   0.0000   10.225   2.7634  ?   ?  0.000000 2.763412 
1 1 1   10   26   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   26   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   26   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   27    0 o   97.782   7.8206  1164.60  177.918  1164.60  177.918  1164.60  177.918   97.782   7.8206   97.782   7.8206 0.000000 0.000000 
1 1 1   10   27    1 o   12.355   1.6866   18.379   4.7921   16.100   6.7456   20.700   6.8089   11.437   2.5614   13.035   2.2959 -1.598472 3.439797 
1 1 1   10   27    2 o  109.204   5.8889  1432.94  151.296  1364.70  213.322  1502.00  214.614  105.516   8.6374  110.899   8.2545 -5.383644 11.94740 
1 1 1   10   27    3 o   79.179   4.3131  748.366   80.338  682.100  113.332  815.300  113.901   75.067   6.4564   82.274   5.9020 -7.207321 8.747444 
1 1 1   10   27    4 o   88.254   4.7596  931.537   98.824  861.600  139.350  1002.30  140.170   84.211   7.0732   91.041   6.5642 -6.829613 9.649771 
1 1 1   10   27    5 o   53.259   3.1913  337.665   39.950  345.500   56.265  329.700   56.732   53.665   4.4811   52.385   4.6341 1.279308 6.446270 
1 1 1   10   27    6 o   51.515   3.0819  315.864   37.317  337.300   52.757  294.400   52.792   53.055   4.2467   49.484   4.5696 3.571423 6.238249 
1 1 1   10   27    7 o   58.435   3.4414  406.923   47.277  471.900   66.822  341.800   66.897   62.740   4.5411   53.157   5.4047 9.583115 7.059152 
1 1 1   10   27    8 o   68.393   5.5898  564.800   89.486  564.800   89.486   0.0000   0.0000   68.393   5.5898  ?   ?  0.000000 5.589778 
1 1 1   10   27    9 o   40.928   2.5930  199.293   24.930  197.500   35.190  201.100   35.324   40.580   3.7136   40.955   3.6923 -0.3746529 5.236735 
1 1 1   10   27   10 o   35.297   2.3514  148.223   19.487  140.900   27.507  155.600   27.610   34.258   3.4472   36.044   3.2798 -1.786289 4.758188 
1 1 1   10   27   11 o   34.271   2.4227  139.856   19.479  177.200   27.455  102.000   27.642   38.513   3.0437   28.952   4.1630 9.560654 5.156969 
1 1 1   10   27   12 o   75.484   4.2484  682.660   75.418  674.800  106.389  690.600  106.928   74.477   6.1030   75.364   6.0597 -0.8874054 8.600360 
1 1 1   10   27   13 o   26.888   1.9780   86.049   12.471   74.400   17.419   98.300   17.863   24.843   3.0322   28.661   2.6700 -3.818394 4.040202 
1 1 1   10   27   14 o   53.224   3.0072  337.767   37.641  302.900   52.728  374.000   53.751   50.080   4.5071   55.787   4.1092 -5.707005 6.099155 
1 1 1   10   27   15 o   94.809   5.3092  1088.48  118.383  1094.70  166.992  1082.20  167.850   93.871   7.5988   93.275   7.6892 0.5953140 10.81042 
1 1 1   10   27   16 o   48.422   2.9338  279.849   33.388  278.700   47.204  281.000   47.231   48.053   4.2023   48.256   4.1864 -0.2030792 5.931658 
1 1 1   10   27   17 o   60.772   3.4197  441.943   48.874  502.300   69.238  382.000   69.000   64.473   4.5776   55.959   5.2843 8.513905 6.991288 
1 1 1   10   27   18 o   68.233   3.8732  559.188   62.148  599.500   87.959  519.000   87.824   70.127   5.3521   65.051   5.7775 5.075813 7.875519 
1 1 1   10   27   19 o  107.992   6.0268  1430.85  153.075  1568.40  216.518  1293.40  216.443  111.239   8.3026  100.143   9.2577 11.09539 12.43537 
1 1 1   10   27   20 o   48.594   2.8106  282.058   32.113  323.400   45.549  241.200   45.281   51.821   3.7476   44.550   4.3603 7.271366 5.749439 
1 1 1   10   27   21 o   44.474   2.7566  236.399   28.806  233.500   40.730  239.300   40.747   43.915   3.9707   44.475   3.9200 -0.5601006 5.579666 
1 1 1   10   27   22 o   10.568   1.7041   13.566   4.1078   11.800   5.8353   15.300   5.7837   9.7759   2.5138   11.149   2.2740 -1.372819 3.389704 
1 1 1   10   27   23 o   50.991   2.9941  311.669   35.893  343.000   50.867  280.600   50.654   53.168   4.0828   47.906   4.5317 5.262154 6.099637 
1 1 1   10   27   24 o   27.784   2.0356   92.181   13.263   76.800   18.714  107.700   18.798   25.116   3.2303   29.927   2.6887 -4.811272 4.202857 
1 1 1   10   27   25 o   13.221   1.6805   21.065   5.1281   16.700   7.2651   25.400   7.2395   11.594   2.7034   14.450   2.1903 -2.856224 3.479377 
1 1 1   10   27   26 o   52.555   3.1567  333.442   38.994  339.300   55.182  327.600   55.110   52.431   4.5006   51.473   4.5820 0.9581184 6.422633 
1 1 1   10   27   27 o   49.086   2.9447  290.800   33.974  317.400   48.138  264.400   47.956   50.810   4.0456   46.152   4.4558 4.658222 6.018424 
1 1 1   10   27   28 o   63.864   3.7439  499.537   56.214  492.000   79.432  507.100   79.565   62.138   5.4693   63.158   5.3865 -1.020157 7.676385 
1 1 1   10   27   29 o   53.898   3.2546  353.812   41.228  362.000   58.263  345.600   58.346   53.690   4.6412   52.364   4.7710 1.325348 6.656061 
1 1 1   10   27   30 o   63.808   3.7463  501.854   56.199  561.100   79.508  442.700   79.446   66.301   5.1181   58.183   5.8623 8.117050 7.782097 
1 1 1   10   27   31 o   34.956   2.2741  147.179   18.669  134.000   26.282  160.600   26.523   32.932   3.4300   36.209   3.1329 -3.276440 4.645434 
1 1 1   10   27   32 o   38.175   2.4957  176.245   22.373  171.200   31.625  181.300   31.657   37.126   3.6547   38.270   3.5433 -1.143669 5.090360 
1 1 1   10   27   33 o   20.912   1.8329   52.611   8.9599   58.100   12.717   47.200   12.626   21.814   2.5149   19.548   2.8165 2.266365 3.775887 
1 1 1   10   27   34 o   26.783   2.0521   86.465   12.880   93.300   18.195   79.600   18.235   27.581   2.8340   25.356   3.1109 2.224823 4.208227 
1 1 1   10   27   35 o   60.158   3.6316  451.153   51.347  494.200   72.614  408.100   72.618   61.502   5.0443   55.197   5.6511 6.304943 7.574980 
1 1 1   10   27   36 o   26.136   2.0142   82.593   12.335   80.500   17.415   84.700   17.475   25.464   2.9510   26.158   2.8765 -0.6943035 4.121005 
1 1 1   10   27   37 o   28.762   2.1496  100.497   14.494   99.000   20.158  102.100   20.855   28.135   3.0847   28.545   3.1462 -0.4098473 4.406140 
1 1 1   10   27   38 o   11.821   1.7149   17.103   4.6473   15.800   6.5805   18.400   6.5640   11.154   2.5535   12.096   2.3828 -0.9424067 3.492575 
1 1 1   10   27   39 o   15.229   1.7552   28.267   6.1962   30.800   8.6522   25.600   8.8778   15.701   2.4107   14.172   2.7520 1.528968 3.658547 
1 1 1   10   27   40 o   30.845   2.0867  116.197   15.109   99.400   21.006  134.200   21.748   27.865   3.2538   32.707   2.8442 -4.842112 4.321629 
1 1 1   10   27   41 o   38.879   2.6486  188.292   24.171  164.000   34.108  212.800   34.259   34.921   4.2220   40.449   3.6252 -5.528008 5.564836 
1 1 1   10   27   42 o   29.533   2.1315  107.253   14.765  133.000   21.068   82.400   20.699   32.470   2.7743   24.953   3.6183 7.516630 4.559539 
1 1 1   10   27   43 o   14.142   2.6828   25.900   8.6313   25.900   8.6313   0.0000   0.0000   14.142   2.6828  ?   ?  0.000000 2.682790 
1 1 1   10   27   44 o   24.310   3.1962   79.100   17.903   79.100   17.903   0.0000   0.0000   24.310   3.1962  ?   ?  0.000000 3.196246 
1 1 1   10   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   27   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   27   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   27   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   27   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   28    0 o  103.738   8.2935  1316.60  200.172  1316.60  200.172  1316.60  200.172  103.738   8.2935  103.738   8.2935 -0.000000 0.000000 
1 1 1   10   28    1 o   94.044   5.0261  1060.71  111.212  1334.60  157.418  787.800  157.137  105.042   6.3766   79.827   8.4653 25.21540 10.59823 
1 1 1   10   28    2 o   24.886   1.9775   73.732   11.525   77.200   16.225   70.200   16.374   25.373   2.7520   24.155   2.9307 1.218319 4.020250 
1 1 1   10   28    3 o   39.416   2.5347  184.805   23.466  186.100   33.123  183.500   33.250   39.406   3.5994   39.121   3.6411 0.2852592 5.119895 
1 1 1   10   28    4 o   88.115   4.8050  930.785   99.602  869.100  140.501  993.100  141.217   84.375   7.1183   90.409   6.6617 -6.033684 9.749274 
1 1 1   10   28    5 o   99.902   5.5579  1202.08  130.595  1218.30  184.255  1185.70  185.127   99.590   7.8999   98.165   8.0575 1.425346 11.28408 
1 1 1   10   28    6 o  132.501   7.3452  2142.99  228.921  2468.00  323.699  1817.80  323.788  140.454   9.8217  119.080   11.665 21.37381 15.24893 
1 1 1   10   28    7 o   43.358   2.7510  223.837   28.020  263.600   39.583  183.900   39.669   46.935   3.5988   39.007   4.3826 7.928158 5.670853 
1 1 1   10   28    8 o   8.9977   1.7199   9.8967   3.5211   0.3000   4.6344   23.000   5.4154   5.2277   2.2019   13.842   1.6920 -8.614734 2.776881 
1 1 1   10   28    9 o   91.561   5.0895  1009.16  109.605  1002.70  154.503  1015.70  155.510   90.362   7.3033   90.950   7.3025 -0.5875473 10.32786 
1 1 1   10   28   10 o   66.228   3.6952  524.212   57.559  487.700   81.030  561.400   81.777   63.415   5.4645   68.175   5.1171 -4.760094 7.486347 
1 1 1   10   28   11 o   87.212   5.0534  917.220  103.623  1019.50  146.210  814.000  146.881   91.186   6.8401   80.983   7.7765 10.20335 10.35670 
1 1 1   10   28   12 o   65.692   3.7936  516.744   58.597  536.300   82.777  497.100   82.961   66.487   5.3169   63.918   5.5517 2.568752 7.687018 
1 1 1   10   28   13 o   19.097   1.7979   43.550   8.0122   41.900   11.331   45.200   11.331   18.601   2.6550   19.353   2.5409 -0.7511997 3.674933 
1 1 1   10   28   14 o   48.771   2.9967  283.981   34.345  316.100   48.510  251.700   48.632   51.241   4.0420   45.556   4.5830 5.684780 6.110755 
1 1 1   10   28   15 o   47.411   2.8901  268.306   32.201  284.800   45.532  251.800   45.547   48.616   4.0017   45.625   4.2775 2.990372 5.857591 
1 1 1   10   28   16 o  120.822   6.6626  1798.86  189.352  1943.10  267.957  1655.00  267.612  123.218   9.2774  112.821   10.154 10.39735 13.75396 
1 1 1   10   28   17 o   23.376   1.8848   65.158   10.316   71.100   14.641   59.300   14.537   24.326   2.5886   22.146   2.8457 2.179390 3.846945 
1 1 1   10   28   18 o   11.212   1.7418   15.237   4.4616   15.600   6.4284   14.900   6.1972   11.241   2.4875   10.986   2.4511 0.2552719 3.492258 
1 1 1   10   28   19 o   42.610   2.6780  216.859   26.808  211.100   37.943  222.600   37.882   41.771   3.8915   42.933   3.7750 -1.161659 5.421646 
1 1 1   10   28   20 o   35.554   2.1775  150.618   18.193  194.000   25.874  108.200   25.585   40.271   2.7372   29.817   3.7143 10.45376 4.613909 
1 1 1   10   28   21 o   23.198   1.9003   64.250   10.319   57.600   14.593   70.900   14.593   21.785   2.9094   24.269   2.5862 -2.483942 3.892695 
1 1 1   10   28   22 o   41.285   2.6200  203.898   25.410  204.700   35.983  203.100   35.889   41.090   3.7498   40.926   3.7555 0.1639519 5.307021 
1 1 1   10   28   23 o   87.773   4.9206  945.675  101.575  1024.10  143.809  867.600  143.489   89.796   6.8335   82.042   7.4891 7.753433 10.13822 
1 1 1   10   28   24 o   65.098   3.7289  513.816   57.082  565.200   80.832  462.700   80.621   67.527   5.1069   60.716   5.6895 6.811024 7.645353 
1 1 1   10   28   25 o   44.378   2.7562  236.821   28.740  268.900   40.663  204.800   40.626   46.971   3.6960   40.727   4.2888 6.243450 5.661621 
1 1 1   10   28   26 f   73.254   4.2301  660.431   72.860  685.600  103.180  635.400  102.898   73.144   6.0276   70.172   6.2761 2.971573 8.701782 
1 1 1   10   28   27 o   12.434   1.6681   18.700   4.7743   27.400   6.7519  10.0000   6.7519   15.043   1.9464   9.1288   2.8347 5.914224 3.438647 
1 1 1   10   28   28 o   34.305   2.3014  141.499   18.534  121.800   26.178  161.300   26.245   31.402   3.5951   36.385   3.0837 -4.983219 4.736468 
1 1 1   10   28   29 o   44.855   2.7800  243.713   29.300  232.400   41.370  255.100   41.504   43.160   4.1088   45.344   3.9146 -2.183762 5.675055 
1 1 1   10   28   30 o   83.513   4.9863  888.676   97.883  917.300  138.244  859.900  138.612   81.636   7.2467   78.536   7.5679 3.099228 10.47802 
1 1 1   10   28   31 o   43.128   2.7372  225.708   27.731  232.600   39.193  218.800   39.242   43.205   3.8831   41.815   4.0239 1.390141 5.591942 
1 1 1   10   28   32 o   6.7087   1.7213   5.5698   2.7403   5.0000   3.7813   6.2000   3.9769   6.5622   2.1318   7.1632   2.1666 -0.6010351 3.039496 
1 1 1   10   28   33 o   23.504   1.9221   66.506   10.575   70.600   14.943   62.400   14.966   24.011   2.6814   22.492   2.8843 1.518681 3.938162 
1 1 1   10   28   34 o   37.150   2.5346  167.744   22.102  188.900   31.188  146.400   31.327   38.988   3.4222   33.991   3.9781 4.997204 5.247536 
1 1 1   10   28   35 o   23.399   1.9143   66.109   10.485   72.000   14.879   60.300   14.776   24.191   2.6480   22.020   2.9133 2.171082 3.936893 
1 1 1   10   28   36 o   12.482   1.7356   19.012   4.9772   17.800   7.0730   20.200   7.0051   11.864   2.5968   12.699   2.4245 -0.8354082 3.552698 
1 1 1   10   28   37 o   46.621   2.9863  270.098   32.703  313.300   46.223  226.800   46.274   49.267   4.0079   41.068   4.8664 8.199608 6.304358 
1 1 1   10   28   38 o   35.654   2.4441  156.320   20.453  162.700   28.880  149.900   28.970   35.675   3.4723   34.094   3.6554 1.580654 5.041680 
1 1 1   10   28   39 o   45.723   2.8931  261.646   31.075  249.900   43.666  273.700   44.234   43.203   4.3388   45.425   4.1704 -2.221699 6.018109 
1 1 1   10   28   40 o   15.294   1.8601   28.672   6.5792   31.300   9.2652   26.000   9.3441   15.739   2.5826   14.206   2.8841 1.533559 3.871377 
1 1 1   10   28   41 o   22.057   1.9068   59.468   9.8336   76.500   14.069   43.200   13.750   24.786   2.4353   18.139   3.3331 6.647146 4.127972 
1 1 1   10   28   42 o   15.573   1.9186   29.969   6.9059   22.900   9.6789   37.300   9.8562   13.115   3.1622   17.150   2.5080 -4.034658 4.036004 
1 1 1   10   28   43 o   24.669   3.1708   80.600   18.043   80.600   18.043   0.0000   0.0000   24.669   3.1708  ?   ?  0.000000 3.170801 
1 1 1   10   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   28   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   28   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   28   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   28   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   29    0 o   12.727   3.0198   22.100   7.8784   22.100   7.8784   22.100   7.8784   12.727   3.0198   12.727   3.0198 0.000000 0.000000 
1 1 1   10   29    1 o   62.007   3.5903  459.020   52.346  440.300   73.969  477.800   74.087   60.348   5.2428   62.941   5.0267 -2.592617 7.263255 
1 1 1   10   29    2 o   43.651   2.7430  226.890   28.131  262.500   39.760  191.200   39.805   46.827   3.6240   39.792   4.3049 7.034718 5.627188 
1 1 1   10   29    3 o   56.836   3.4488  385.595   46.068  433.000   64.949  337.600   65.352   59.992   4.6203   52.759   5.3181 7.232918 7.044862 
1 1 1   10   29    4 o  175.311   8.9000  3818.68  367.226  3167.20  517.557  4479.20  521.134  153.549   14.444  186.319   11.907 -32.76982 18.71904 
1 1 1   10   29    5 o  139.588   7.8991  2400.18  259.300  2818.30  366.496  1981.10  366.915  148.992   10.484  122.674   12.857 26.31822 16.58992 
1 1 1   10   29    6 f  142.469   7.7449  2498.92  259.574  2353.10  366.302  2646.00  367.890  134.859   11.616  143.768   10.918 -8.909409 15.94172 
1 1 1   10   29    7 o   42.671   2.7347  216.963   27.410  241.400   38.675  192.300   38.853   44.860   3.6835   39.906   4.1855 4.954533 5.575508 
1 1 1   10   29    8 o   38.404   2.3409  175.465   21.127  149.500   29.608  202.400   30.156   35.240   3.6090   41.143   3.1274 -5.902569 4.775478 
1 1 1   10   29    9 o   30.950   2.1975  114.079   15.956  119.000   22.499  109.100   22.632   31.490   3.0645   30.110   3.2337 1.379686 4.455096 
1 1 1   10   29   10 o   31.376   2.2039  117.248   16.225  120.600   22.954  113.900   22.937   31.691   3.1073   30.773   3.2035 0.9181442 4.462926 
1 1 1   10   29   11 o   25.505   2.0362   77.552   12.161   85.700   17.093   69.200   17.306   26.721   2.7482   23.914   3.1406 2.807486 4.173250 
1 1 1   10   29   12 o   63.963   3.8387  490.729   57.711  607.000   81.500  373.800   81.731   70.829   4.9031   54.989   6.4149 15.83943 8.074068 
1 1 1   10   29   13 o   32.200   2.1880  123.489   16.538  115.000   23.109  132.400   23.676   30.907   3.2134   33.215   3.0529 -2.307508 4.432348 
1 1 1   10   29   14 o  101.380   5.6672  1252.91  135.127  1246.30  190.483  1259.60  191.719   99.444   8.1845   99.969   8.1935 -0.5256195 11.58099 
1 1 1   10   29   15 o   72.863   4.1123  638.940   70.466  602.900   99.571  675.100   99.737   69.987   6.0855   74.252   5.7328 -4.264610 8.360534 
1 1 1   10   29   16 o   25.606   1.9190   78.133   11.519   92.400   16.387   64.200   16.195   27.773   2.5263   23.015   3.0554 4.758589 3.964572 
1 1 1   10   29   17 o   17.744   1.7373   37.648   7.1861   30.100   10.128   45.300   10.198   15.663   2.8431   19.405   2.2683 -3.741817 3.637048 
1 1 1   10   29   18 o   22.345   1.8914   59.606   9.8864   60.600   13.941   58.600   14.022   22.409   2.6882   22.018   2.7575 0.3908863 3.850989 
1 1 1   10   29   19 o   60.969   3.5516  446.990   50.910  436.200   71.965  457.800   72.031   59.631   5.1617   61.155   5.0326 -1.523792 7.209040 
1 1 1   10   29   20 o   36.177   2.2848  156.176   19.418  180.900   27.588  131.900   27.337   38.798   3.0355   32.971   3.5682 5.827496 4.684659 
1 1 1   10   29   21 o   48.370   2.9422  280.592   33.446  249.200   47.294  312.000   47.306   45.100   4.5010   50.698   3.9836 -5.597797 6.010634 
1 1 1   10   29   22 o   41.969   2.6520  211.099   26.147  207.000   36.974  215.200   36.980   41.223   3.8426   42.065   3.7627 -0.8412170 5.378069 
1 1 1   10   29   23 o   31.124   2.2010  115.914   16.072  111.200   22.763  120.600   22.695   30.247   3.2373   31.552   3.0855 -1.305105 4.472179 
1 1 1   10   29   24 o   17.272   1.7368   35.785   6.9877   40.300   9.8986   31.300   9.8657   18.229   2.3546   15.953   2.7163 2.276085 3.594749 
1 1 1   10   29   25 o   32.681   2.2454  128.118   17.223  117.500   24.321  138.800   24.393   30.980   3.3794   33.792   3.0912 -2.811792 4.579971 
1 1 1   10   29   26 o   27.387   2.0572   89.955   13.207   83.700   18.685   96.200   18.670   26.157   3.0845   28.133   2.8497 -1.976007 4.199369 
1 1 1   10   29   27 o   54.241   3.0672  357.108   39.125  411.900   55.532  303.100   55.133   57.659   4.1054   48.976   4.8301 8.682831 6.339087 
1 1 1   10   29   28 o   11.133   1.7496   15.110   4.4477   17.700   6.6380   13.000   5.9916   11.933   2.4380   10.202   2.5053 1.730997 3.495800 
1 1 1   10   29   29 o   24.965   1.9779   74.911   11.564   82.400   16.343   67.400   16.367   26.000   2.7013   23.389   3.0349 2.611488 4.062956 
1 1 1   10   29   30 o   34.713   2.3603  145.412   19.233  149.000   27.155  141.800   27.243   34.769   3.3489   33.866   3.4551 0.9032593 4.811671 
1 1 1   10   29   31 o   24.784   1.9481   73.869   11.309   69.500   15.937   78.300   16.051   23.773   2.8989   25.307   2.7291 -1.533617 3.981411 
1 1 1   10   29   32 o   14.564   1.7138   25.638   5.7812   25.200   8.0672   26.100   8.2890   14.262   2.4858   14.515   2.5092 -0.2527256 3.532018 
1 1 1   10   29   33 o   29.787   2.1528  107.144   15.040  106.000   21.217  108.300   21.324   29.275   3.1171   29.603   3.0963 -0.3279762 4.393546 
1 1 1   10   29   34 o   29.475   2.1434  105.141   14.816  109.300   20.976  101.000   20.932   29.702   3.0332   28.482   3.1658 1.219997 4.384381 
1 1 1   10   29   35 o   13.921   1.7446   23.567   5.6092   22.500   7.9967   24.600   7.8699   13.368   2.6269   14.040   2.4637 -0.6713057 3.601448 
1 1 1   10   29   36 o   19.713   1.8273   47.076   8.4093   50.300   11.845   43.800   11.941   20.152   2.5460   18.697   2.7900 1.454765 3.777050 
1 1 1   10   29   37 o   30.014   2.1985  110.013   15.473  111.700   21.796  108.300   21.970   29.737   3.1520   29.225   3.2380 0.5118313 4.518837 
1 1 1   10   29   38 o   43.933   2.8311  240.779   29.214  250.700   41.358  230.900   41.271   43.635   4.0604   41.660   4.2551 1.975250 5.881557 
1 1 1   10   29   39 o   15.000   1.9526   27.680   6.7522   34.000   9.3859   20.900   9.7209   16.460   2.4928   12.621   3.2440 3.839247 4.091203 
1 1 1   10   29   40 o   11.113   1.8806   15.349   4.7591   17.500   6.4626   12.800   7.0345   11.725   2.4146   9.9700   2.8469 1.754945 3.732975 
1 1 1   10   29   41 o   15.532   1.8459   29.672   6.6376   22.400   9.2473   37.400   9.5332   13.035   3.0571   17.241   2.4073 -4.205648 3.891128 
1 1 1   10   29   42 o   9.6182   2.1531   11.853   4.7683   19.000   6.4953   3.5000   7.0223   12.169   2.3454   6.9252   2.7910 5.243743 3.645653 
1 1 1   10   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   29   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   29   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   29   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   29   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   30    0 o  115.937   9.3843  1666.70  253.040  1666.70  253.040  1666.70  253.040  115.937   9.3843  115.937   9.3843 -0.000000 0.000000 
1 1 1   10   30    1 f   95.472   5.3284  1101.40  119.646  1063.60  169.205  1139.20  169.205   92.613   7.8100   96.031   7.5219 -3.417992 10.84320 
1 1 1   10   30    2 o   89.577   4.7652  965.597  100.433  1132.50  142.400  800.400  141.671   96.373   6.2919   80.375   7.5530 15.99789 9.830372 
1 1 1   10   30    3 o   36.868   2.4538  161.900   21.240  165.700   29.844  158.000   30.236   37.146   3.4415   36.239   3.5801 0.9064636 4.966046 
1 1 1   10   30    4 o   59.292   3.5626  420.502   49.648  455.300   69.962  385.200   70.467   61.371   4.8676   56.272   5.3682 5.099030 7.246432 
1 1 1   10   30    5 o   63.356   3.6312  480.227   54.099  565.400   76.540  395.200   76.474   68.450   4.7650   56.863   5.7756 11.58775 7.487531 
1 1 1   10   30    6 o   58.813   3.2793  413.074   45.362  369.700   63.842  457.300   64.465   55.222   4.9483   61.603   4.4618 -6.380653 6.662855 
1 1 1   10   30    7 o  100.722   8.1962  1268.80  193.248  1268.80  193.248   0.0000   0.0000  100.722   8.1962  ?   ?  0.000000 8.196153 
1 1 1   10   30    8 o   27.279   2.0698   88.669   13.234   90.600   18.626   86.700   18.806   27.455   2.9177   26.833   3.0205 0.6214485 4.199525 
1 1 1   10   30    9 o   16.672   1.8315   33.304   7.0915   41.100   9.9037   25.100   10.159   18.473   2.3217   14.251   3.1066 4.221866 3.878302 
1 1 1   10   30   10 o   26.134   2.1364   81.489   13.069   95.000   18.260   67.300   18.713   28.137   2.7848   23.507   3.4759 4.629726 4.453906 
1 1 1   10   30   11 o   67.069   3.8750  539.951   61.108  552.400   86.246  527.400   86.595   67.299   5.4745   65.686   5.6375 1.613091 7.858178 
1 1 1   10   30   12 o   61.033   3.5341  446.341   50.716  439.600   71.411  453.200   72.039   60.103   5.0792   61.044   5.0427 -0.9412651 7.157303 
1 1 1   10   30   13 o  103.154   5.6663  1298.62  137.492  1234.60  193.954  1363.30  194.936   98.676   8.4040  104.054   7.9947 -5.378090 11.59923 
1 1 1   10   30   14 o   73.898   4.1755  658.063   72.564  702.000  102.664  614.200  102.578   75.641   5.7918   70.520   6.2238 5.121216 8.501802 
1 1 1   10   30   15 o   71.915   3.9924  622.611   67.530  714.800   95.600  530.800   95.404   76.513   5.3245   65.465   6.2474 11.04713 8.208532 
1 1 1   10   30   16 o   28.303   2.0083   95.471   13.335  112.800   18.958   78.500   18.761   30.681   2.6426   25.451   3.1919 5.230024 4.143853 
1 1 1   10   30   17 o   9.3557   1.8748   10.745   3.9976   16.900   5.5091   3.9000   5.8099   11.766   2.0578   6.8423   2.6016 4.923347 3.317094 
1 1 1   10   30   18 o   62.218   3.4726  465.333   50.816  412.600   71.684  518.600   72.046   57.887   5.3032   65.219   4.7098 -7.332092 7.092698 
1 1 1   10   30   19 o   61.855   3.5995  461.050   52.348  459.600   74.032  462.500   74.032   61.107   5.1793   61.308   5.1617 -0.2016640 7.312249 
1 1 1   10   30   20 o   77.885   4.2179  737.313   77.285  858.800  109.518  616.800  109.078   83.181   5.6084   69.703   6.7100 13.47845 8.745176 
1 1 1   10   30   21 o   27.348   1.9541   89.311   12.536   72.400   17.607  106.700   17.854   24.375   3.1313   29.793   2.5627 -5.418018 4.046329 
1 1 1   10   30   22 f   55.118   3.2562  366.955   42.193  394.000   59.719  340.000   59.620   56.549   4.5097   52.320   4.8821 4.229477 6.646275 
1 1 1   10   30   23 o   40.358   2.5975  195.763   24.623  207.400   34.803  184.100   34.841   41.214   3.6126   38.720   3.8621 2.493656 5.288375 
1 1 1   10   30   24 o   35.374   2.3720  150.294   19.699  147.900   27.825  152.700   27.893   34.771   3.4337   35.353   3.3825 -0.5823784 4.819931 
1 1 1   10   30   25 o   8.1757   1.9187   8.2808   3.6404   6.9000   5.4408   9.4000   4.8985   7.7549   2.5590   8.7146   2.3338 -0.9597282 3.463364 
1 1 1   10   30   26 o   14.328   1.7369   24.786   5.7568   28.400   8.1573   21.200   8.1254   15.228   2.3437   13.037   2.7271 2.191469 3.595839 
1 1 1   10   30   27 o   33.956   2.3115  138.836   18.424  147.900   26.076  129.800   26.035   34.745   3.2146   32.441   3.4516 2.303825 4.716695 
1 1 1   10   30   28 o   13.720   1.7258   22.768   5.4675   22.100   7.8408   23.400   7.6281   13.332   2.5839   13.761   2.4367 -0.4291420 3.551597 
1 1 1   10   30   29 o   55.072   3.3211  371.701   42.987  380.600   60.790  362.800   60.795   54.704   4.7532   53.296   4.8850 1.407917 6.815931 
1 1 1   10   30   30 o   29.660   2.1439  105.948   14.914  103.500   21.081  108.400   21.102   28.995   3.1286   29.709   3.0513 -0.7144260 4.370230 
1 1 1   10   30   31 o   29.375   2.1294  103.988   14.670   99.000   20.722  109.000   20.772   28.318   3.1523   29.791   2.9933 -1.472441 4.347031 
1 1 1   10   30   32 o   62.161   3.7408  481.914   54.654  491.800   77.236  472.000   77.348   61.068   5.4121   59.656   5.5546 1.411552 7.755284 
1 1 1   10   30   33 o   26.342   2.0731   83.921   12.791   90.400   17.992   77.300   18.188   27.066   2.8584   24.885   3.1670 2.181562 4.266146 
1 1 1   10   30   34 o   25.815   1.9906   80.624   12.041   74.300   16.928   87.100   17.130   24.406   3.0005   26.547   2.7736 -2.141708 4.086022 
1 1 1   10   30   35 o   14.261   1.7299   24.727   5.7063   21.700   8.0395   27.800   8.1008   13.091   2.6906   14.958   2.3726 -1.867107 3.587291 
1 1 1   10   30   36 o   17.923   1.7914   39.012   7.4801   41.800   10.555   36.200   10.602   18.327   2.5046   16.948   2.7429 1.378994 3.714325 
1 1 1   10   30   37 o   68.269   4.2752  616.878   68.572  595.300   96.926  638.500   97.024   62.506   6.6698   65.380   6.3652 -2.874374 9.219709 
1 1 1   10   30   38 o   2.6733   1.2341  -1.4507   1.8202  -3.3000   2.2676   1.9000   3.0523   2.6220   1.2594   4.8565   1.8759 -2.234515 2.259405 
1 1 1   10   30   39 o   5.0075   1.8833   2.2889   3.0246   1.9000   4.2191   2.7000   4.3383   5.4233   2.1712   5.7532   2.2324 -0.3299589 3.114147 
1 1 1   10   30   40 o   25.350   2.0369   78.861   12.090   92.600   17.218   65.500   16.980   27.091   2.7288   22.408   3.3084 4.682156 4.288563 
1 1 1   10   30   41 f   16.551   1.8937   33.855   7.2679   36.200   10.064   31.300   10.507   16.797   2.6232   15.415   2.9944 1.381825 3.980863 
1 1 1   10   30   42 o   25.145   3.2001   84.900   18.571   0.0000   0.0000   84.900   18.571  ?   ?    25.145   3.2001 0.000000 3.200131 
1 1 1   10   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   30   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   30   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   30   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   30   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   31    0 o   46.761   4.2431  266.300   45.965  266.300   45.965  266.300   45.965   46.761   4.2431   46.761   4.2431 -0.000000 0.000000 
1 1 1   10   31    1 o   33.312   2.4000  132.300   18.752  162.600   26.370  101.300   26.673   36.847   3.0583   28.835   4.0272 8.011848 5.056868 
1 1 1   10   31    2 o   84.407   4.6231  858.251   91.794  963.900  130.095  753.500  129.540   88.754   6.2472   78.012   7.1101 10.74220 9.464775 
1 1 1   10   31    3 o   81.016   4.5809  790.702   87.277  789.600  123.541  791.800  123.314   80.118   6.5885   80.241   6.5656 -0.1236115 9.301344 
1 1 1   10   31    4 o  112.578   5.5719  1535.04  148.122  1951.30  210.516  1126.90  208.451  125.756   7.1184   93.833   9.5405 31.92348 11.90344 
1 1 1   10   31    5 o   15.220   1.7701   27.792   6.2430   32.700   8.7485   22.700   8.9116   16.445   2.3171   13.566   2.8714 2.879488 3.689687 
1 1 1   10   31    6 o   42.003   2.5607  210.239   25.277  259.400   35.861  161.700   35.634   46.545   3.2839   36.500   4.2116 10.04514 5.340554 
1 1 1   10   31    7 o   15.837   1.7262   30.039   6.3507   26.400   8.7973   34.000   9.1772   14.690   2.6329   16.762   2.3858 -2.072660 3.553054 
1 1 1   10   31    8 o   63.165   3.5065  477.715   52.096  431.700   73.178  525.000   74.181   59.514   5.2613   65.836   4.8048 -6.321770 7.125133 
1 1 1   10   31    9 o   47.264   2.9574  266.895   32.841  294.300   46.323  239.200   46.566   49.406   4.0050   44.380   4.5060 5.025566 6.028594 
1 1 1   10   31   10 o   41.868   2.5402  208.979   24.995  185.400   35.078  233.300   35.625   39.174   3.8415   44.074   3.4506 -4.899742 5.163686 
1 1 1   10   31   11 o   68.106   4.0236  558.226   64.421  618.900   90.900  497.000   91.312   71.177   5.4497   63.435   6.1742 7.742516 8.235264 
1 1 1   10   31   12 o  101.697   5.5246  1262.38  132.172  1168.90  186.159  1357.40  187.689   95.908   8.3018  103.894   7.7053 -7.986191 11.32661 
1 1 1   10   31   13 o   91.580   4.9137  1018.00  105.872  924.800  148.936  1113.20  150.528   85.789   7.4252   94.634   6.7810 -8.845245 10.05565 
1 1 1   10   31   14 o   47.764   2.8654  272.752   32.169  245.400   45.372  300.400   45.617   44.932   4.3298   49.878   3.9042 -4.945393 5.830127 
1 1 1   10   31   15 o   65.026   3.6511  508.581   55.836  581.200   79.057  436.300   78.872   69.043   4.8805   59.428   5.6900 9.614830 7.496349 
1 1 1   10   31   16 f   15.882   1.7438   30.250   6.4322   26.600   9.0965   33.900   9.0965   14.715   2.7181   16.724   2.3697 -2.009406 3.606038 
1 1 1   10   31   17 o   77.286   4.3996  725.346   79.961  720.300  113.032  730.400  113.131   75.884   6.3668   76.446   6.3239 -0.5617752 8.973714 
1 1 1   10   31   18 o   42.567   2.6744  216.986   26.746  196.000   37.811  238.000   37.837   40.078   4.0509   44.329   3.6470 -4.250721 5.450696 
1 1 1   10   31   19 o   21.278   1.8185   54.126   9.0494   62.100   12.858   46.300   12.738   22.700   2.4369   19.478   2.8541 3.221390 3.752961 
1 1 1   10   31   20 o   35.436   2.3832  150.408   19.826  147.000   28.073  153.800   28.005   34.756   3.4669   35.585   3.3730 -0.8297272 4.836934 
1 1 1   10   31   21 o   36.543   2.4409  160.181   20.942  167.800   29.557  152.500   29.677   37.136   3.4086   35.325   3.6084 1.811035 4.963721 
1 1 1   10   31   22 o   12.834   1.6762   19.891   4.9583   25.300   7.1574   14.900   6.8754   14.409   2.1710   10.934   2.6829 3.474518 3.451289 
1 1 1   10   31   23 o   62.972   3.6452  484.133   53.972  442.100   76.222  526.400   76.433   58.914   5.5441   64.722   5.0409 -5.807487 7.493207 
1 1 1   10   31   24 o   34.004   2.3254  138.993   18.560  135.100   26.224  142.900   26.272   33.191   3.3937   34.180   3.2959 -0.9888687 4.730741 
1 1 1   10   31   25 o   65.416   3.8438  527.133   59.115  544.200   83.644  510.100   83.559   65.095   5.4929   62.826   5.6943 2.269825 7.911774 
1 1 1   10   31   26 o   58.180   3.4706  414.943   47.464  428.600   67.141  401.300   67.108   58.057   4.9446   56.016   5.1304 2.041252 7.125273 
1 1 1   10   31   27 o   36.730   2.3617  162.581   20.375  187.100   28.916  138.400   28.715   39.112   3.1578   33.379   3.7058 5.733582 4.868707 
1 1 1   10   31   28 o   34.972   2.3776  147.606   19.518  144.500   27.630  150.700   27.576   34.187   3.4707   34.958   3.3830 -0.7707710 4.846678 
1 1 1   10   31   29 o   26.856   2.0460   86.798   12.878   85.500   18.199   88.100   18.225   26.381   2.9734   26.799   2.9275 -0.4183559 4.172702 
1 1 1   10   31   30 o   16.587   1.6746   33.116   6.4692   25.900   9.0374   40.700   9.2644   14.400   2.7582   18.294   2.1881 -3.893851 3.520691 
1 1 1   10   31   31 o   47.702   2.9860  278.726   33.465  290.000   47.272  267.400   47.382   47.812   4.2308   45.738   4.4431 2.073391 6.135189 
1 1 1   10   31   32 o   45.540   2.7955  253.830   29.916  223.600   42.224  284.300   42.392   41.702   4.3520   47.503   3.8113 -5.800514 5.784956 
1 1 1   10   31   33 o   32.479   2.2800  128.200   17.375  133.800   24.572  122.600   24.572   32.731   3.2209   31.231   3.3862 1.500546 4.673373 
1 1 1   10   31   34 o   32.557   2.2351  128.934   17.079  142.000   24.560  116.700   23.766   33.719   3.1199   30.408   3.3663 3.311260 4.589732 
1 1 1   10   31   35 o   10.976   1.7409   14.812   4.3615   16.000   6.0205   13.500   6.3270   11.268   2.3393   10.296   2.6014 0.9717293 3.498527 
1 1 1   10   31   36 o   43.562   2.8231  236.216   28.884  241.800   40.972  230.700   40.725   42.895   4.0948   41.804   4.1817 1.091042 5.852677 
1 1 1   10   31   37 o   42.740   2.7531  227.291   27.637  237.300   39.615  217.800   38.575   42.512   3.9931   40.635   4.0752 1.877617 5.705387 
1 1 1   10   31   38 o   9.9069   2.0186   12.329   4.5620   18.900   6.4378   5.7000   6.4657   12.238   2.3124   7.4690   2.7644 4.769464 3.604038 
1 1 1   10   31   39 o   32.897   2.3993  134.135   18.510  155.400   26.094  112.600   26.259   34.789   3.2127   29.007   3.9353 5.781782 5.080191 
1 1 1   10   31   40 o   15.810   2.6915   32.200   9.6884   0.0000   0.0000   32.200   9.6884  ?   ?    15.810   2.6915 0.000000 2.691482 
1 1 1   10   31   41 o   14.365   2.8026   27.300   9.1654   0.0000   0.0000   27.300   9.1654  ?   ?    14.365   2.8026 0.000000 2.802559 
1 1 1   10   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   31   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   31   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   31   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   32    0 o   20.288   2.8721   51.600   12.965   51.600   12.965   51.600   12.965   20.288   2.8721   20.288   2.8721 0.000000 0.000000 
1 1 1   10   32    1 o   93.373   4.4520  1047.77   98.162  735.600  137.608  1371.20  140.069   76.582   7.7145  106.137   5.6086 -29.55550 9.537864 
1 1 1   10   32    2 o   25.895   2.1111   80.014   12.796   69.600   18.289   90.000   17.910   23.938   3.3253   27.371   2.8110 -3.432604 4.354282 
1 1 1   10   32    3 o   42.661   2.6914  217.142   26.973  222.300   38.365  212.100   37.932   42.943   3.8233   41.927   3.8751 1.016163 5.443763 
1 1 1   10   32    4 o   44.173   2.7873  232.926   28.925  250.300   40.816  215.400   40.995   45.583   3.8275   42.181   4.1705 3.401936 5.660583 
1 1 1   10   32    5 o   29.469   2.1852  103.547   15.098  103.300   21.206  103.800   21.500   29.287   3.1141   29.351   3.1514 -0.6478882E-01 4.430444 
1 1 1   10   32    6 o   67.876   5.6240  563.700   89.330  563.700   89.330   0.0000   0.0000   67.876   5.6240  ?   ?  0.000000 5.623998 
1 1 1   10   32    7 o   12.862   1.8176   19.981   5.3668   19.800   7.2452   20.200   7.9888   12.693   2.5062   12.794   2.7276 -0.1012058 3.704185 
1 1 1   10   32    8 o   32.776   2.2745  128.090   17.495  127.500   24.529  128.700   24.958   32.537   3.2355   32.683   3.2781 -0.1461449 4.605889 
1 1 1   10   32    9 o   67.319   3.8942  544.997   61.639  552.100   86.883  537.800   87.460   67.145   5.5289   66.213   5.6477 0.9319992 7.903514 
1 1 1   10   32   10 o   74.520   4.3882  670.954   76.878  791.400  108.564  549.800  108.882   80.311   5.7629   66.224   7.0721 14.08782 9.122851 
1 1 1   10   32   11 o   70.130   3.9833  592.447   65.691  575.900   92.614  609.200   93.191   68.393   5.7889   70.421   5.6518 -2.027847 8.090380 
1 1 1   10   32   12 o   40.990   2.4792  200.479   23.884  176.300   33.394  225.800   34.173   38.162   3.7543   43.328   3.3665 -5.165272 5.042645 
1 1 1   10   32   13 o   36.841   2.4333  162.064   21.049  172.600   29.748  151.500   29.788   37.837   3.3646   35.371   3.6173 2.465851 4.940212 
1 1 1   10   32   14 o   61.063   3.6371  449.004   52.206  489.000   73.689  408.700   73.972   63.209   4.9773   57.521   5.5135 5.687675 7.427766 
1 1 1   10   32   15 o   61.418   3.5167  454.097   50.791  518.300   71.886  390.100   71.771   65.150   4.7043   56.135   5.4845 9.015373 7.225679 
1 1 1   10   32   16 o   86.208   4.7663  908.962   96.650  1018.40  136.896  800.200  136.473   89.966   6.4875   78.968   7.4052 10.99796 9.845031 
1 1 1   10   32   17 o   32.456   2.2506  125.952   17.142  124.700   24.261  127.200   24.224   32.077   3.2478   32.410   3.2073 -0.3332481 4.564559 
1 1 1   10   32   18 o   32.927   2.2511  129.714   17.398  141.600   24.641  117.900   24.567   34.219   3.0826   31.118   3.3987 3.101665 4.588377 
1 1 1   10   32   19 o   11.081   1.6618   14.891   4.2142   19.000   6.1712   11.300   5.7687   12.453   2.1779   9.5554   2.5204 2.897903 3.330966 
1 1 1   10   32   20 o   26.797   2.0370   85.998   12.793   85.200   18.067   86.800   18.118   26.471   2.9400   26.727   2.9182 -0.2560444 4.142403 
1 1 1   10   32   21 o   45.522   2.8320  249.995   30.292  256.200   42.858  243.800   42.820   45.601   4.0212   44.427   4.1289 1.174637 5.763538 
1 1 1   10   32   22 o   44.957   2.7402  243.779   28.951  271.100   41.035  216.700   40.852   47.008   3.7273   41.784   4.1971 5.223705 5.613270 
1 1 1   10   32   23 o   33.366   2.2977  133.850   17.994  133.900   25.507  133.800   25.387   33.058   3.3120   33.051   3.2969 0.7255554E-02 4.673197 
1 1 1   10   32   24 o   27.990   2.0907   94.112   13.719   96.800   19.357   91.400   19.445   28.153   2.9558   27.313   3.0680 0.8398342 4.260202 
1 1 1   10   32   25 o   30.565   2.1901  112.378   15.703  116.500   22.266  108.300   22.148   30.846   3.0988   29.691   3.2101 1.154821 4.461744 
1 1 1   10   32   26 o   37.770   2.4483  172.120   21.718  194.500   30.769  149.900   30.659   39.821   3.3020   34.710   3.8027 5.110878 5.036246 
1 1 1   10   32   27 o   41.456   2.6449  208.129   25.756  215.900   36.475  200.400   36.374   41.713   3.7429   40.099   3.8904 1.613457 5.398576 
1 1 1   10   32   28 o   37.053   2.4658  166.006   21.451  157.500   30.347  174.500   30.326   35.589   3.6635   37.578   3.4564 -1.989063 5.036674 
1 1 1   10   32   29 o   43.959   2.7336  234.810   28.235  206.500   39.867  263.300   39.994   40.417   4.2405   46.023   3.7116 -5.606888 5.635382 
1 1 1   10   32   30 o   8.9352   1.8979   9.9091   3.8807   6.1000   5.6549   13.300   5.3354   7.4752   2.6071   10.321   2.2525 -2.845531 3.445422 
1 1 1   10   32   31 o   26.797   2.0439   86.750   12.835  101.700   18.152   71.800   18.152   28.794   2.7013   23.923   3.3012 4.871027 4.265567 
1 1 1   10   32   32 o   28.257   2.1064   96.745   13.954   96.100   19.654   97.400   19.815   27.784   3.0456   27.971   3.0494 -0.1872921 4.309775 
1 1 1   10   32   33 o   42.679   2.7573  224.260   27.639  212.200   39.104  236.300   39.072   40.489   4.1485   42.962   3.8937 -2.473049 5.689602 
1 1 1   10   32   34 o   43.923   2.8757  239.533   29.662  232.200   42.189  246.700   41.711   41.994   4.3160   43.499   4.1095 -1.505600 5.959463 
1 1 1   10   32   35 o   34.789   2.3313  148.337   19.041  164.500   27.197  132.800   26.666   36.054   3.2288   32.128   3.5755 3.925537 4.817623 
1 1 1   10   32   36 o   29.275   2.1904  104.872   15.033  101.600   21.333  108.100   21.187   28.226   3.2606   29.213   3.1195 -0.9869480 4.512556 
1 1 1   10   32   37 o   16.993   1.8963   35.351   7.4792   39.200   10.384   31.200   10.782   17.660   2.5650   15.529   3.0492 2.130835 3.984568 
1 1 1   10   32   38 o   15.680   1.9333   30.265   7.0065   25.900   9.6647   35.100   10.172   14.105   2.9944   16.614   2.6843 -2.509764 4.021421 
1 1 1   10   32   39 o   14.252   2.7306   26.300   8.8553   0.0000   0.0000   26.300   8.8553  ?   ?    14.252   2.7306 0.000000 2.730644 
1 1 1   10   32   40 o   22.522   2.9650   66.600   15.386   0.0000   0.0000   66.600   15.386  ?   ?    22.522   2.9650 0.000000 2.965038 
1 1 1   10   32   41 o   8.8270   2.7449   10.300   6.3282   0.0000   0.0000   10.300   6.3282  ?   ?    8.8270   2.7449 0.000000 2.744875 
1 1 1   10   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   32   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   32   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   32   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   33    0 o   4.2188   2.6366   1.2000   5.3859   1.2000   5.3859   1.2000   5.3859   4.2188   2.6366   4.2188   2.6366 -0.000000 0.000000 
1 1 1   10   33    1 o   25.824   2.0987   79.596   12.687   92.900   17.782   65.800   18.107   27.815   2.7430   23.238   3.4004 4.577101 4.368848 
1 1 1   10   33    2 f   37.704   2.4735  169.571   21.900  163.800   30.764  175.500   31.183   36.846   3.5810   38.169   3.4987 -1.322647 5.006444 
1 1 1   10   33    3 o   42.322   2.6673  213.804   26.520  237.400   37.622  190.500   37.389   44.410   3.6191   39.648   4.0504 4.761208 5.431674 
1 1 1   10   33    4 o   43.327   2.6148  223.964   26.627  274.800   37.839  174.100   37.475   47.856   3.3699   37.827   4.2702 10.02887 5.439775 
1 1 1   10   33    5 o   42.646   2.6884  217.149   26.934  221.200   38.334  213.200   37.852   42.800   3.8336   42.006   3.8592 0.7935371 5.439669 
1 1 1   10   33    6 o   34.390   2.3527  141.090   18.991  150.200   26.873  132.000   26.842   35.327   3.2581   33.050   3.4924 2.277195 4.776193 
1 1 1   10   33    7 o   29.627   2.2105  104.746   15.353  105.100   21.845  104.400   21.581   29.509   3.1855   29.416   3.1562 0.9347916E-01 4.484355 
1 1 1   10   33    8 o   41.159   2.5236  202.168   24.409  180.700   34.221  224.400   34.825   38.636   3.8000   43.181   3.4440 -4.544796 5.128502 
1 1 1   10   33    9 o   44.328   2.7823  234.956   28.976  235.300   40.653  234.600   41.310   44.083   3.9471   43.996   4.0208 0.8667374E-01 5.634418 
1 1 1   10   33   10 o   31.538   2.2456  118.720   16.614  120.300   23.351  117.100   23.643   31.579   3.1744   31.133   3.2646 0.4461193 4.553499 
1 1 1   10   33   11 o   37.262   2.4488  165.837   21.427  158.700   30.275  173.000   30.329   36.209   3.5881   37.858   3.4299 -1.649319 4.963719 
1 1 1   10   33   12 o   85.981   4.9682  903.237  100.441  943.700  141.633  862.300  142.460   86.494   6.9944   82.343   7.4059 4.150787 10.18668 
1 1 1   10   33   13 o   54.155   3.1608  352.192   40.245  389.500   57.036  315.200   56.794   56.565   4.3024   50.660   4.8051 5.905201 6.449770 
1 1 1   10   33   14 o   88.679   5.1307  967.795  106.979  1033.00  151.066  902.200  151.518   89.924   7.1740   83.461   7.7776 6.462410 10.58097 
1 1 1   10   33   15 o   17.434   1.8592   36.485   7.5355   27.800   10.808   44.700   10.511   14.953   3.1600   19.231   2.3645 -4.278366 3.946749 
1 1 1   10   33   16 o   39.985   2.4432  191.407   22.957  232.600   32.563  150.700   32.371   43.898   3.1626   35.041   3.9829 8.857056 5.085803 
1 1 1   10   33   17 o   52.327   3.1178  330.244   38.350  352.700   54.302  307.900   54.167   53.571   4.3297   49.880   4.6526 3.691216 6.355517 
1 1 1   10   33   18 o   62.130   3.4269  468.034   50.081  338.400   70.685  598.700   70.966   51.451   5.9263   69.762   4.3293 -18.31142 7.339201 
1 1 1   10   33   19 o   57.487   3.4068  401.432   46.040  437.400   65.127  365.500   65.095   59.290   4.6900   53.867   5.1814 5.423012 6.988801 
1 1 1   10   33   20 o   15.862   1.7455   30.271   6.4299   24.300   9.0714   36.300   9.1153   13.972   2.8462   17.284   2.2898 -3.311778 3.652901 
1 1 1   10   33   21 o   28.070   2.0814   94.534   13.698   96.400   19.456   92.700   19.288   28.119   2.9754   27.558   3.0132 0.5613689 4.234645 
1 1 1   10   33   22 o   57.252   3.3548  399.773   45.157  439.400   63.965  360.400   63.760   59.211   4.6112   53.226   5.1368 5.985401 6.902878 
1 1 1   10   33   23 o   12.611   1.7508   19.290   5.0729   17.400   7.1559   21.200   7.1927   11.801   2.6347   13.095   2.4151 -1.294211 3.574060 
1 1 1   10   33   24 o   37.483   2.3475  169.140   20.673  203.100   29.349  135.700   29.124   40.820   3.0673   33.030   3.8034 7.789165 4.886107 
1 1 1   10   33   25 o   43.794   2.7521  232.427   28.316  239.900   40.107  225.000   39.983   43.933   3.9068   42.466   4.0357 1.466385 5.616951 
1 1 1   10   33   26 o   44.183   2.7742  236.831   28.796  261.500   40.740  212.200   40.709   45.916   3.7914   41.074   4.2592 4.841854 5.702188 
1 1 1   10   33   27 o   38.063   2.5010  175.245   22.354  183.600   31.623  166.900   31.603   38.526   3.5147   36.626   3.7050 1.899666 5.106897 
1 1 1   10   33   28 o   14.048   1.7354   23.892   5.6346   27.800   8.0845   20.200   7.8575   15.030   2.3553   12.690   2.7048 2.339938 3.586559 
1 1 1   10   33   29 o   12.554   1.7506   19.179   5.0483   21.100   7.0871   17.200   7.1927   13.031   2.3912   11.686   2.6655 1.344893 3.580882 
1 1 1   10   33   30 o   18.661   1.8073   42.058   7.8639   46.000   11.181   38.200   11.062   19.333   2.5084   17.511   2.7671 1.821484 3.734815 
1 1 1   10   33   31 o   29.516   2.1734  105.674   15.041   96.800   21.300  114.500   21.243   27.760   3.3151   30.376   3.0008 -2.616405 4.471529 
1 1 1   10   33   32 o   41.059   2.6766  207.154   25.809  196.300   36.505  218.000   36.492   39.030   4.0184   41.341   3.7800 -2.311119 5.516898 
1 1 1   10   33   33 o   40.628   2.6912  203.738   25.672  188.900   36.352  218.500   36.259   38.041   4.1122   41.247   3.7642 -3.205605 5.574906 
1 1 1   10   33   34 o   28.333   2.1895   98.110   14.535   93.300   20.800  102.700   20.319   27.042   3.3275   28.544   3.0625 -1.501953 4.522310 
1 1 1   10   33   35 o   20.575   1.8966   51.535   9.1111   54.800   13.018   48.400   12.756   20.914   2.6990   19.576   2.8426 1.338017 3.919825 
1 1 1   10   33   36 o   14.208   1.8303   24.757   5.9978   18.000   8.6194   31.100   8.3512   11.754   3.0715   15.794   2.3072 -4.040770 3.841536 
1 1 1   10   33   37 o   21.633   2.9453   59.700   14.655   0.0000   0.0000   59.700   14.655  ?   ?    21.633   2.9453 0.000000 2.945312 
1 1 1   10   33   38 o   18.858   2.8149   45.700   12.151   0.0000   0.0000   45.700   12.151  ?   ?    18.858   2.8149 0.000000 2.814903 
1 1 1   10   33   39 o   17.549   2.8379   40.300   11.359   0.0000   0.0000   40.300   11.359  ?   ?    17.549   2.8379 0.000000 2.837937 
1 1 1   10   33   40 o   5.0578   2.1527   0.5000   4.5070   0.0000   0.0000   0.5000   4.5070  ?   ?    5.0578   2.1527 0.000000 2.152731 
1 1 1   10   33   41 o   16.160   2.8987   35.700   10.655   0.0000   0.0000   35.700   10.655  ?   ?    16.160   2.8987 0.000000 2.898712 
1 1 1   10   33   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   33   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   33   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   34    0 o   72.635   6.1040  648.600  102.993  648.600  102.993  648.600  102.993   72.635   6.1040   72.635   6.1040 0.000000 0.000000 
1 1 1   10   34    1 o   15.851   1.7163   30.109   6.3216   41.700   9.3632   20.400   8.5697   18.620   2.1703   12.834   2.8965 5.786074 3.619360 
1 1 1   10   34    2 o   35.366   2.3876  149.284   19.823  134.200   28.019  164.400   28.048   33.280   3.6239   36.959   3.2468 -3.678341 4.865600 
1 1 1   10   34    3 o   25.817   1.9543   79.485   11.826   58.800   16.525  101.200   16.931   21.948   3.2898   29.070   2.4906 -7.121798 4.126209 
1 1 1   10   34    4 o   65.849   3.8190  522.206   59.128  486.900   83.627  557.500   83.613   62.825   5.6991   67.450   5.2922 -4.624584 7.777295 
1 1 1   10   34    5 o   39.495   2.4989  186.235   23.185  205.600   33.063  167.500   32.521   41.313   3.4199   37.180   3.7556 4.132271 5.079396 
1 1 1   10   34    6 o   4.0384   1.6870   0.3325   2.6859  -6.7000   5.7445   2.3000   3.0385   4.4190   2.0888   5.0733   1.8916 -0.6542830 2.818027 
1 1 1   10   34    7 o   46.171   2.8256  255.059   30.659  269.300   43.656  241.200   43.066   47.156   3.9572   44.557   4.1404 2.598633 5.727316 
1 1 1   10   34    8 f   74.634   4.2101  674.309   73.895  730.500  104.825  618.800  104.186   76.847   5.8198   70.399   6.3351 6.447624 8.602515 
1 1 1   10   34    9 o   29.037   2.1700  100.713   14.771  120.300   20.909   81.200   20.870   31.631   2.8293   25.789   3.5190 5.842583 4.515309 
1 1 1   10   34   10 o   99.049   5.2929  1206.68  123.347  1073.10  173.783  1342.30  175.104   90.909   8.1831  102.699   7.2674 -11.79032 10.94436 
1 1 1   10   34   11 o   52.053   3.0239  325.267   37.008  300.100   51.999  351.100   52.683   49.497   4.4980   53.691   4.1885 -4.193962 6.146118 
1 1 1   10   34   12 o   68.026   3.8957  560.985   62.317  519.000   88.062  603.100   88.198   64.378   5.8569   69.722   5.3991 -5.344643 7.965800 
1 1 1   10   34   13 o   5.0117   1.7009   2.7518   2.4018  -0.3000   3.0659   7.6000   3.8643   4.0794   1.7567   7.8533   2.0587 -3.773852 2.706348 
1 1 1   10   34   14 f   86.137   4.9442  916.606  100.144  1091.10  141.623  742.100  141.628   92.521   6.5242   74.700   8.1619 17.82076 10.44900 
1 1 1   10   34   15 o   27.310   2.0770   89.283   13.294   79.800   18.833   98.700   18.768   25.565   3.1891   28.565   2.8193 -2.999844 4.256565 
1 1 1   10   34   16 f   15.460   1.7699   28.764   6.3446   29.900   8.9172   27.600   9.0290   15.625   2.5011   14.967   2.6517 0.6581268 3.645191 
1 1 1   10   34   17 o   41.233   2.6717  204.671   25.873  190.400   36.682  218.800   36.500   39.292   4.0097   42.277   3.6932 -2.985199 5.451329 
1 1 1   10   34   18 o   92.561   5.2917  1079.40  115.180  990.200  162.704  1169.00  163.074   85.022   8.2061   93.541   7.4444 -8.519356 11.07967 
1 1 1   10   34   19 f   42.525   2.6851  218.076   26.824  223.200   38.026  213.000   37.845   42.574   3.8232   41.547   3.9033 1.027264 5.463736 
1 1 1   10   34   20 f   64.034   3.7608  503.305   56.616  524.500   80.152  482.200   79.982   64.160   5.3388   61.293   5.5876 2.867397 7.728131 
1 1 1   10   34   21 o   53.917   3.2550  354.295   41.247  346.800   58.312  361.800   58.353   52.427   4.7622   53.632   4.6538 -1.205002 6.658525 
1 1 1   10   34   22 o   20.540   1.8404   50.675   8.8315   55.300   12.524   46.100   12.456   21.308   2.5391   19.360   2.8064 1.947735 3.784530 
1 1 1   10   34   23 o   29.572   2.1845  105.220   15.146   87.600   21.463  122.700   21.378   26.567   3.5071   31.737   2.8840 -5.170450 4.540627 
1 1 1   10   34   24 f   43.663   2.7558  231.088   28.268  225.600   39.935  236.600   40.019   42.525   4.0248   43.611   3.9282 -1.086029 5.624088 
1 1 1   10   34   25 o   23.525   1.9522   66.557   10.746   63.200   15.214   69.900   15.181   22.667   2.9096   23.908   2.7384 -1.240486 3.995583 
1 1 1   10   34   26 o   30.372   2.1590  111.096   15.383  127.200   21.792   95.100   21.719   32.269   2.8906   27.684   3.3933 4.584419 4.457580 
1 1 1   10   34   27 o   54.740   3.3139  368.833   42.634  348.200   60.269  389.500   60.317   51.881   4.9807   55.173   4.6736 -3.291927 6.830106 
1 1 1   10   34   28 o   32.541   2.2744  128.166   17.366  131.300   24.694  125.100   24.428   32.529   3.2587   31.721   3.3100 0.8081970 4.644912 
1 1 1   10   34   29 o   2.8981   1.2808  -0.5500   1.7233  -0.3000   2.4371  -0.8000   2.4371   3.6051   1.5593   3.4339   1.5201 0.1711597 2.177633 
1 1 1   10   34   30 o   38.514   2.5366  181.149   22.940  159.900   32.404  202.500   32.482   35.355   3.9488   40.174   3.4577 -4.819588 5.248702 
1 1 1   10   34   31 o   18.378   2.6563   42.100   11.193   0.0000   0.0000   42.100   11.193  ?   ?    18.378   2.6563 0.000000 2.656313 
1 1 1   10   34   32 o   22.453   1.9316   61.204   10.142   59.900   14.365   62.500   14.319   21.866   2.8499   22.377   2.7691 -0.5108509 3.973619 
1 1 1   10   34   33 o   14.447   1.7860   25.480   5.9634   27.000   8.8206   24.200   8.0933   14.612   2.6542   13.842   2.5707 0.7692347 3.695005 
1 1 1   10   34   34 o   45.596   3.0189  260.517   32.320  241.100   45.968  279.500   45.452   42.197   4.6927   45.992   4.2326 -3.795147 6.319515 
1 1 1   10   34   35 o   26.667   3.0433   90.200   18.821   0.0000   0.0000   90.200   18.821  ?   ?    26.667   3.0433 0.000000 3.043345 
1 1 1   10   34   36 o   6.7974   2.5650   4.4000   5.6209   0.0000   0.0000   4.4000   5.6209  ?   ?    6.7974   2.5650 0.000000 2.565050 
1 1 1   10   34   37 o   4.1714   1.9127  -2.8000   4.2699   0.0000   0.0000  -2.8000   4.2699  ?   ?    4.1714   1.9127 0.000000 1.912689 
1 1 1   10   34   38 o   9.1520   2.7858   10.900   6.5596   0.0000   0.0000   10.900   6.5596  ?   ?    9.1520   2.7858 0.000000 2.785763 
1 1 1   10   34   39 o   16.008   2.9672   34.500   10.804   0.0000   0.0000   34.500   10.804  ?   ?    16.008   2.9672 0.000000 2.967204 
1 1 1   10   34   40 o   14.391   2.8645   28.300   9.3918   0.0000   0.0000   28.300   9.3918  ?   ?    14.391   2.8645 0.000000 2.864479 
1 1 1   10   34   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   34   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   34   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   35    0 o   55.322   4.8269  374.800   61.951  374.800   61.951  374.800   61.951   55.322   4.8269   55.322   4.8269 0.000000 0.000000 
1 1 1   10   35    1 o   61.529   3.5755  455.854   51.725  504.500   73.259  407.500   73.040   64.220   4.8671   57.422   5.4521 6.797657 7.308487 
1 1 1   10   35    2 o   50.126   2.9331  300.988   34.566  213.100   48.729  390.000   49.040   41.513   5.0768   56.861   3.6720 -15.34854 6.265599 
1 1 1   10   35    3 o   32.345   2.2706  124.969   17.232  109.500   24.268  140.700   24.473   30.020   3.4886   34.176   3.0652 -4.156036 4.643854 
1 1 1   10   35    4 o   10.803   2.1156   14.338   5.2037   5.5000   7.8079   21.400   6.9798   7.9856   3.0208   13.225   2.3196 -5.239436 3.808662 
1 1 1   10   35    5 o   75.639   6.3757  717.900  112.816  717.900  112.816   0.0000   0.0000   75.639   6.3757  ?   ?  0.000000 6.375746 
1 1 1   10   35    6 o   47.164   2.9262  266.848   32.429  254.000   45.857  279.700   45.866   45.591   4.3106   47.938   4.0910 -2.346375 5.942853 
1 1 1   10   35    7 o   55.567   3.3666  371.941   43.966  329.100   62.280  414.500   62.075   51.554   5.1863   58.207   4.5525 -6.652184 6.900937 
1 1 1   10   35    8 o   62.378   3.6714  470.415   53.840  475.500   76.406  465.400   75.880   61.959   5.2724   61.281   5.2957 0.6780128 7.472856 
1 1 1   10   35    9 o   21.082   1.9451   53.235   9.5742   58.300   13.367   47.900   13.719   21.948   2.6317   19.779   3.0343 2.169628 4.016569 
1 1 1   10   35   10 o   51.654   3.0577  321.044   37.130  285.500   52.287  357.200   52.735   48.102   4.6618   54.074   4.1619 -5.972763 6.249289 
1 1 1   10   35   11 o   47.034   2.8596  265.885   31.610  277.800   44.922  254.200   44.488   47.675   4.0280   45.530   4.1848 2.145321 5.808363 
1 1 1   10   35   12 o   56.223   3.1105  381.060   41.135  468.600   58.338  294.500   58.011   61.958   4.0089   48.529   5.1405 13.42894 6.518946 
1 1 1   10   35   13 o   60.289   3.5509  441.350   50.329  440.800   71.156  441.900   71.196   59.378   5.1250   59.455   5.1211 -0.7700729E-01 7.245089 
1 1 1   10   35   14 o   44.582   2.7786  239.336   29.106  230.100   41.131  248.600   41.194   43.227   4.0776   45.016   3.9143 -1.788055 5.652304 
1 1 1   10   35   15 o   28.974   2.1421  100.636   14.552   96.600   20.674  104.600   20.487   28.133   3.1671   29.335   2.9998 -1.202307 4.362279 
1 1 1   10   35   16 o   46.658   2.8889  262.888   31.672  278.300   44.808  247.500   44.775   47.521   4.0311   44.669   4.2979 2.852379 5.892551 
1 1 1   10   35   17 o   61.204   3.4427  456.297   49.553  532.700   70.242  380.600   69.917   65.391   4.5779   54.593   5.4983 10.79751 7.154613 
1 1 1   10   35   18 o   59.557   3.5231  433.387   49.327  387.100   69.712  479.800   69.807   55.019   5.4370   61.790   4.8225 -6.770874 7.267549 
1 1 1   10   35   19 o   46.485   2.8101  261.395   30.701  303.100   43.472  219.900   43.363   49.624   3.7373   41.862   4.4551 7.761990 5.815086 
1 1 1   10   35   20 o   18.150   1.6701   39.518   7.0776   56.900   10.204   23.400   9.8255   21.743   2.0101   13.636   3.1191 8.106459 3.710684 
1 1 1   10   35   21 o   17.428   1.7536   36.527   7.1187   30.400   9.9699   42.900   10.168   15.652   2.8002   18.778   2.3441 -3.125987 3.651841 
1 1 1   10   35   22 o   29.754   2.1103  106.402   14.731  117.800   20.971   95.300   20.698   31.084   2.8902   27.826   3.2088 3.257893 4.318529 
1 1 1   10   35   23 o   7.1118   1.7944   6.2627   3.0134   11.500   4.4427   1.8000   4.1010   9.6347   2.0174   5.3863   2.1459 4.248436 2.945312 
1 1 1   10   35   24 o   54.286   3.3237  361.213   42.401  347.800   60.107  374.500   59.823   52.131   4.9418   54.294   4.7128 -2.163437 6.828761 
1 1 1   10   35   25 o   22.672   1.9089   61.851   10.124   62.400   14.308   61.300   14.328   22.553   2.7432   22.341   2.7758 0.2121296 3.902626 
1 1 1   10   35   26 o   26.322   2.0261   83.515   12.497   89.200   17.808   78.000   17.541   26.951   2.8410   25.122   3.0174 1.829222 4.144406 
1 1 1   10   35   27 o   10.563   1.7742   13.690   4.2685   15.000   5.9488   12.300   6.1285   10.947   2.3700   9.8943   2.5920 1.052461 3.512188 
1 1 1   10   35   28 o   12.161   1.8001   18.077   5.0132   12.000   7.1665   23.900   7.0153   9.8084   2.8951   13.918   2.2083 -4.109651 3.641149 
1 1 1   10   35   29 o   11.542   1.8147   16.341   4.7826   22.300   7.7654   12.700   6.0706   13.331   2.5599   10.028   2.5561 3.303200 3.617591 
1 1 1   10   35   30 o   20.352   2.7169   51.600   12.731   0.0000   0.0000   51.600   12.731  ?   ?    20.352   2.7169 0.000000 2.716868 
1 1 1   10   35   31 o   20.472   2.7437   52.400   12.930   0.0000   0.0000   52.400   12.930  ?   ?    20.472   2.7437 0.000000 2.743662 
1 1 1   10   35   32 o   36.658   2.5131  165.389   21.623  161.100   30.721  169.600   30.441   35.330   3.7392   36.376   3.5908 -1.045292 5.184118 
1 1 1   10   35   33 o   33.949   3.5064  147.700   27.705   0.0000   0.0000  147.700   27.705  ?   ?    33.949   3.5064 0.000000 3.506378 
1 1 1   10   35   34 o   17.277   2.6262   37.600   10.376   0.0000   0.0000   37.600   10.376  ?   ?    17.277   2.6262 0.000000 2.626175 
1 1 1   10   35   35 o   33.073   3.5802  142.600   27.514   0.0000   0.0000  142.600   27.514  ?   ?    33.073   3.5802 0.000000 3.580155 
1 1 1   10   35   36 o   15.355   2.7459   30.400   9.5912   0.0000   0.0000   30.400   9.5912  ?   ?    15.355   2.7459 0.000000 2.745941 
1 1 1   10   35   37 o   14.314   2.6652   26.700   8.6768   0.0000   0.0000   26.700   8.6768  ?   ?    14.314   2.6652 0.000000 2.665174 
1 1 1   10   35   38 o   14.148   2.6906   26.500   8.6603   0.0000   0.0000   26.500   8.6603  ?   ?    14.148   2.6906 0.000000 2.690583 
1 1 1   10   35   39 o   2.0631   1.0163  -3.7000   1.7575   0.0000   0.0000  -3.7000   1.7575  ?   ?    2.0631   1.0163 0.000000 1.016275 
1 1 1   10   35   40 o   4.4629   1.9288   0.0000   3.7231   0.0000   0.0000   0.0000   3.7231  ?   ?    4.4629   1.9288 0.000000 1.928825 
1 1 1   10   35   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   35   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   36    0 o   33.771   3.4405  140.000   26.784  140.000   26.784  140.000   26.784   33.771   3.4405   33.771   3.4405 0.000000 0.000000 
1 1 1   10   36    1 o   94.182   5.3191  1097.13  117.811  1160.40  166.899  1034.30  166.322   94.771   7.5197   88.945   8.0047 5.825394 10.98275 
1 1 1   10   36    2 o   20.081   1.8635   48.280   8.7357   53.700   12.496   43.100   12.217   21.066   2.5651   18.782   2.8435 2.283424 3.829485 
1 1 1   10   36    3 o   33.228   2.3320  132.133   18.181  150.400   25.724  113.900   25.700   35.283   3.1197   30.533   3.6361 4.749575 4.790987 
1 1 1   10   36    4 o   40.044   2.6128  192.239   24.571  208.200   34.707  176.200   34.791   41.412   3.5845   37.961   3.9386 3.450550 5.325519 
1 1 1   10   36    5 f   69.725   4.0521  591.643   66.429  617.000   93.958  566.300   93.930   70.192   5.7184   67.041   5.9967 3.151299 8.286172 
1 1 1   10   36    6 o   34.143   2.3588  139.600   18.901  139.700   26.801  139.500   26.661   33.905   3.3931   33.885   3.3770 0.2016449E-01 4.787166 
1 1 1   10   36    7 f   38.542   2.5479  178.151   23.058  177.200   32.624  179.100   32.593   38.125   3.6691   38.339   3.6440 -0.2134209 5.171174 
1 1 1   10   36    8 o   54.667   3.2444  360.888   41.694  383.500   59.312  338.800   58.621   55.775   4.5429   52.274   4.8028 3.501457 6.610939 
1 1 1   10   36    9 o   58.276   3.4617  411.591   47.423  453.000   67.196  370.500   66.937   60.479   4.7432   54.358   5.2816 6.121414 7.098811 
1 1 1   10   36   10 o   56.770   3.1875  389.441   42.556  297.400   59.923  483.100   60.448   48.590   5.3090   62.792   4.0992 -14.20249 6.707390 
1 1 1   10   36   11 o   46.212   2.7005  256.797   29.341  305.600   41.690  208.900   41.301   50.108   3.5463   41.072   4.3234 9.036369 5.591786 
1 1 1   10   36   12 o   11.830   1.8191   17.019   4.9189   22.300   7.9934   13.800   6.2403   13.423   2.6159   10.531   2.5390 2.891566 3.645427 
1 1 1   10   36   13 o   39.345   2.5578  186.192   23.635  187.500   33.531  184.900   33.320   39.108   3.6739   38.833   3.6774 0.2754097 5.198196 
1 1 1   10   36   14 o   20.472   1.8959   50.315   9.0613   41.700   12.902   58.700   12.729   18.356   3.0861   22.003   2.4939 -3.647018 3.967824 
1 1 1   10   36   15 o   20.186   1.8913   48.947   8.9102   44.800   12.674   53.000   12.529   19.079   2.9050   20.861   2.5998 -1.782656 3.898444 
1 1 1   10   36   16 o   68.706   3.8737  580.238   62.590  686.000   88.668  475.200   88.363   73.653   5.1302   60.237   6.3057 13.41655 8.129004 
1 1 1   10   36   17 o   18.510   1.7025   41.099   7.3581   51.600   10.647   31.500   10.180   20.657   2.2174   15.948   2.8058 4.709720 3.576227 
1 1 1   10   36   18 o   51.447   3.0726  321.511   37.156  271.500   52.500  371.700   52.593   46.284   4.8770   54.748   4.0979 -8.464554 6.370098 
1 1 1   10   36   19 o   24.852   1.9205   74.092   11.183   93.100   15.947   55.700   15.686   27.746   2.4595   21.194   3.2370 6.552099 4.065362 
1 1 1   10   36   20 o   11.266   1.8858   15.537   4.8396   4.5000   6.9896   25.700   6.7074   7.3928   2.8434   14.537   2.0075 -7.144476 3.480631 
1 1 1   10   36   21 o   31.288   2.2214  117.817   16.305  101.600   23.036  134.100   23.083   28.644   3.4770   33.148   2.9808 -4.504660 4.579836 
1 1 1   10   36   22 o   27.740   2.0464   92.503   13.310  104.400   18.901   80.800   18.746   29.273   2.7672   25.593   3.1697 3.680744 4.207704 
1 1 1   10   36   23 o   54.429   3.2779  363.012   41.934  393.500   59.340  332.600   59.266   55.760   4.5463   50.889   4.9964 4.871761 6.755247 
1 1 1   10   36   24 o   32.387   2.2622  126.645   17.192  129.300   24.336  124.000   24.291   32.365   3.2274   31.658   3.2978 0.7061749 4.614249 
1 1 1   10   36   25 o   23.057   1.9230   64.078   10.374   74.200   14.687   54.000   14.655   24.638   2.5619   20.814   3.0744 3.824512 4.001896 
1 1 1   10   36   26 o   30.288   2.1400  110.892   15.207   96.300   21.428  125.700   21.586   27.753   3.3366   31.961   2.8914 -4.207642 4.415071 
1 1 1   10   36   27 o   23.169   2.0835   65.102   11.277   57.700   16.493   71.600   15.453   21.342   3.3858   24.073   2.7689 -2.730797 4.373828 
1 1 1   10   36   28 o   33.207   3.3947  138.700   26.245   0.0000   0.0000  138.700   26.245  ?   ?    33.207   3.3947 0.000000 3.394746 
1 1 1   10   36   29 o   27.974   3.0611   98.000   19.891   0.0000   0.0000   98.000   19.891  ?   ?    27.974   3.0611 0.000000 3.061139 
1 1 1   10   36   30 o   33.372   3.4251  141.500   26.608   0.0000   0.0000  141.500   26.608  ?   ?    33.372   3.4251 0.000000 3.425111 
1 1 1   10   36   31 o   29.338   3.2068  108.900   21.854   0.0000   0.0000  108.900   21.854  ?   ?    29.338   3.2068 0.000000 3.206843 
1 1 1   10   36   32 o   9.3105   2.4431   11.000   5.4386   0.0000   0.0000   11.000   5.4386  ?   ?    9.3105   2.4431 0.000000 2.443063 
1 1 1   10   36   33 o   28.987   3.1997  107.100   21.536   0.0000   0.0000  107.100   21.536  ?   ?    28.987   3.1997 0.000000 3.199682 
1 1 1   10   36   34 o   18.329   2.7083   42.600   11.369   0.0000   0.0000   42.600   11.369  ?   ?    18.329   2.7083 0.000000 2.708348 
1 1 1   10   36   35 o   14.256   2.6717   26.200   8.6637   0.0000   0.0000   26.200   8.6637  ?   ?    14.256   2.6717 0.000000 2.671716 
1 1 1   10   36   36 o   9.9640   2.7253   13.100   6.5972   0.0000   0.0000   13.100   6.5972  ?   ?    9.9640   2.7253 0.000000 2.725288 
1 1 1   10   36   37 o   10.631   2.8779   15.300   7.4016   0.0000   0.0000   15.300   7.4016  ?   ?    10.631   2.8779 0.000000 2.877934 
1 1 1   10   36   38 o   18.114   3.0211   44.900   12.467   0.0000   0.0000   44.900   12.467  ?   ?    18.114   3.0211 0.000000 3.021063 
1 1 1   10   36   39 o   12.411   3.0407   21.800   8.8414   0.0000   0.0000   21.800   8.8414  ?   ?    12.411   3.0407 0.000000 3.040684 
1 1 1   10   36   40 o   3.0265   1.4658  -5.0000   3.2297   0.0000   0.0000  -5.0000   3.2297  ?   ?    3.0265   1.4658 0.000000 1.465787 
1 1 1   10   36   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   37    0 o   7.3080   3.2860   9.2000   6.0660   9.2000   6.0660   9.2000   6.0660   7.3080   3.2860   7.3080   3.2860 0.000000 0.000000 
1 1 1   10   37    1 o   27.661   2.0322   91.535   13.181   72.100   18.494  111.600   18.791   24.247   3.3171   30.431   2.6412 -6.184555 4.240127 
1 1 1   10   37    2 o   41.341   2.6945  205.459   26.161  248.300   36.950  162.400   37.044   45.203   3.4886   36.168   4.4300 9.035526 5.638748 
1 1 1   10   37    3 o   13.159   1.8413   20.973   5.5649   21.900   7.7745   20.000   7.9689   13.316   2.5655   12.685   2.7405 0.6312456 3.753952 
1 1 1   10   37    4 f   26.853   2.9613   87.600   18.465   87.600   18.465   0.0000   0.0000   26.853   2.9613  ?   ?  0.000000 2.961276 
1 1 1   10   37    5 o   50.821   3.1227  311.998   37.294  321.400   52.746  302.600   52.736   51.015   4.4222   49.417   4.5711 1.598148 6.360119 
1 1 1   10   37    6 o   47.621   2.9645  273.545   33.170  265.100   47.036  281.900   46.785   46.318   4.3516   47.853   4.1823 -1.535641 6.035538 
1 1 1   10   37    7 o   51.519   3.1333  320.848   37.937  343.900   53.950  298.300   53.358   52.778   4.3682   48.979   4.6700 3.799164 6.394565 
1 1 1   10   37    8 o   25.526   2.0733   78.131   12.389   87.300   17.492   68.900   17.550   26.831   2.8022   23.695   3.2200 3.135380 4.268606 
1 1 1   10   37    9 o   76.310   4.3718  718.227   78.450  813.300  111.194  624.000  110.698   79.808   5.9428   68.979   6.8882 10.82896 9.097508 
1 1 1   10   37   10 o   36.252   2.3606  157.753   20.097  176.400   28.614  139.600   28.234   38.087   3.2116   33.722   3.6013 4.365074 4.825331 
1 1 1   10   37   11 o   44.154   2.8136  235.331   29.183  220.900   41.387  249.600   41.155   42.208   4.2086   45.031   3.9091 -2.823383 5.744036 
1 1 1   10   37   12 o   8.3349   2.0650   8.6119   4.0434   2.2000   6.1127   13.600   5.3914   6.4329   2.6000   10.473   2.2473 -4.040412 3.436598 
1 1 1   10   37   13 o   41.121   2.7069  204.113   26.137  182.100   37.102  225.800   36.827   38.255   4.1750   42.876   3.6728 -4.621620 5.560566 
1 1 1   10   37   14 o   76.220   4.3435  721.269   77.852  778.100  110.422  665.100  109.778   77.386   6.0920   70.931   6.6310 6.454887 9.004587 
1 1 1   10   37   15 o   54.119   2.8184  353.904   35.893  453.200   51.345  259.000   50.196   60.840   3.5898   45.303   4.7636 15.53685 5.964808 
1 1 1   10   37   16 o   22.960   1.9219   63.283   10.324   67.500   15.014   59.500   14.220   23.522   2.7552   22.055   2.7930 1.466509 3.923278 
1 1 1   10   37   17 o   63.364   3.7542  493.882   55.921  498.200   79.249  489.600   78.921   62.296   5.4419   61.727   5.4712 0.5694351 7.716765 
1 1 1   10   37   18 o   20.671   1.9086   51.390   9.2111   41.600   13.122   60.900   12.933   18.276   3.1547   22.385   2.4887 -4.109434 4.018190 
1 1 1   10   37   19 o   40.538   2.6105  198.621   24.856  218.100   35.178  179.200   35.126   42.073   3.5747   37.918   3.9824 4.154854 5.351483 
1 1 1   10   37   20 o   17.152   1.8487   35.483   7.3691   31.000   10.651   39.600   10.206   15.755   2.9718   17.992   2.4672 -2.236710 3.862521 
1 1 1   10   37   21 o   34.815   2.3652  146.250   19.329  147.700   27.332  144.800   27.339   34.605   3.3882   34.244   3.4269 0.3607788 4.819087 
1 1 1   10   37   22 o   15.057   1.7696   27.412   6.1720   25.800   8.7613   29.000   8.6961   14.392   2.6765   15.328   2.4878 -0.9359455 3.654132 
1 1 1   10   37   23 o   44.250   2.8116  238.815   29.226  214.300   41.345  263.300   41.319   41.022   4.3338   45.846   3.8524 -4.824528 5.798551 
1 1 1   10   37   24 o   22.957   1.9214   63.555   10.320   56.400   14.549   70.800   14.640   21.302   2.9734   24.031   2.6224 -2.728882 3.964614 
1 1 1   10   37   25 o   6.2829   2.0497   4.5851   3.4944  -5.1000   6.2943   8.9000   4.2013   4.9253   2.2812   8.4389   2.1130 -3.513618 3.109467 
1 1 1   10   37   26 o   18.663   2.6489   43.200   11.346   0.0000   0.0000   43.200   11.346  ?   ?    18.663   2.6489 0.000000 2.648879 
1 1 1   10   37   27 o   9.3413   2.3964   11.000   5.3120   0.0000   0.0000   11.000   5.3120  ?   ?    9.3413   2.3964 0.000000 2.396437 
1 1 1   10   37   28 o   14.801   2.5873   27.500   8.7134   0.0000   0.0000   27.500   8.7134  ?   ?    14.801   2.5873 0.000000 2.587255 
1 1 1   10   37   29 o   38.709   3.8337  193.200   34.581   0.0000   0.0000  193.200   34.581  ?   ?    38.709   3.8337 0.000000 3.833691 
1 1 1   10   37   30 o   12.500   2.5639   19.800   7.3140   0.0000   0.0000   19.800   7.3140  ?   ?    12.500   2.5639 0.000000 2.563864 
1 1 1   10   37   31 o   28.558   3.1647  103.400   20.983   0.0000   0.0000  103.400   20.983  ?   ?    28.558   3.1647 0.000000 3.164703 
1 1 1   10   37   32 o   9.7317   2.5689   12.100   5.9901   0.0000   0.0000   12.100   5.9901  ?   ?    9.7317   2.5689 0.000000 2.568940 
1 1 1   10   37   33 o   16.908   2.7115   36.400   10.460   0.0000   0.0000   36.400   10.460  ?   ?    16.908   2.7115 0.000000 2.711476 
1 1 1   10   37   34 o   25.610   3.1030   85.100   18.383   0.0000   0.0000   85.100   18.383  ?   ?    25.610   3.1030 0.000000 3.103039 
1 1 1   10   37   35 o   11.263   2.7290   16.800   7.1817   0.0000   0.0000   16.800   7.1817  ?   ?    11.263   2.7290 0.000000 2.729050 
1 1 1   10   37   36 o   15.775   2.9784   33.600   10.688   0.0000   0.0000   33.600   10.688  ?   ?    15.775   2.9784 0.000000 2.978440 
1 1 1   10   37   37 o   9.8378   2.9135   13.300   7.2477   0.0000   0.0000   13.300   7.2477  ?   ?    9.8378   2.9135 0.000000 2.913476 
1 1 1   10   37   38 o   10.488   2.8319   15.300   7.1776   0.0000   0.0000   15.300   7.1776  ?   ?    10.488   2.8319 0.000000 2.831937 
1 1 1   10   37   39 o   2.6390   1.3149  -8.1000   3.2722   0.0000   0.0000  -8.1000   3.2722  ?   ?    2.6390   1.3149 0.000000 1.314890 
1 1 1   10   37   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   38    0 o   27.641   3.2359   94.800   20.364   94.800   20.364   94.800   20.364   27.641   3.2359   27.641   3.2359 0.000000 0.000000 
1 1 1   10   38    1 o   29.991   2.2054  107.872   15.509  106.600   21.702  109.200   22.170   29.574   3.1564   29.927   3.1862 -0.3534164 4.484946 
1 1 1   10   38    2 o   53.184   3.1881  342.478   39.854  416.900   56.408  268.300   56.316   58.221   4.1298   46.052   5.2737 12.16916 6.698276 
1 1 1   10   38    3 o   18.830   1.8881   42.602   8.2821   36.800   11.130   49.800   12.397   17.292   2.8233   20.215   2.6618 -2.923340 3.880248 
1 1 1   10   38    4 o   18.161   1.7077   39.532   7.2373   60.400   10.436   20.200   10.045   22.433   1.9908   12.694   3.3151 9.739478 3.866947 
1 1 1   10   38    5 o   34.649   2.4067  144.259   19.569  125.200   27.755  163.100   27.595   31.861   3.7616   36.609   3.2251 -4.748178 4.954902 
1 1 1   10   38    6 f   33.783   2.3346  137.066   18.510  123.900   26.095  150.400   26.260   31.761   3.5395   35.145   3.1993 -3.383875 4.771158 
1 1 1   10   38    7 o   69.038   3.9142  584.718   63.548  638.600   90.409  532.100   89.342   70.948   5.4379   64.295   5.9521 6.652802 8.062134 
1 1 1   10   38    8 o   38.864   2.5309  181.782   23.100  204.900   33.011  159.600   32.336   40.951   3.4457   35.945   3.8706 5.005405 5.182152 
1 1 1   10   38    9 o   10.860   1.9526   14.472   4.8231   21.700   6.8341   7.3000   6.8077   13.297   2.2572   8.2114   2.8608 5.085681 3.644037 
1 1 1   10   38   10 o   19.438   1.8864   45.418   8.5494   38.800   12.201   51.800   11.983   17.695   3.0291   20.640   2.5103 -2.945009 3.934133 
1 1 1   10   38   11 o   41.548   2.4621  207.636   24.048  253.500   34.301  163.300   33.725   45.642   3.2028   36.266   4.0049 9.376308 5.128101 
1 1 1   10   38   12 o   29.302   2.1605  103.132   14.843  104.800   21.107  101.500   20.879   29.281   3.0998   28.805   3.1194 0.4756794 4.397608 
1 1 1   10   38   13 o   27.481   2.1693   90.805   13.963   73.800   19.898  107.300   19.597   24.369   3.5633   29.710   2.8274 -5.341791 4.548779 
1 1 1   10   38   14 o   42.117   2.5692  213.872   25.429  241.100   36.288  187.600   35.645   44.347   3.4935   38.891   3.9356 5.456661 5.262451 
1 1 1   10   38   15 o   12.795   1.8479   19.902   5.4215   23.400   7.9773   16.900   7.3904   13.746   2.5516   11.618   2.7387 2.128013 3.743135 
1 1 1   10   38   16 o   25.125   1.9564   75.768   11.516   82.400   16.520   69.500   16.061   26.015   2.7298   23.817   2.9167 2.198814 3.994894 
1 1 1   10   38   17 o   47.246   2.9756  271.280   33.028  264.100   46.974  278.300   46.449   45.859   4.3914   47.196   4.2121 -1.336681 6.084907 
1 1 1   10   38   18 o   18.648   1.8562   41.874   8.0653   37.500   11.576   46.000   11.244   17.384   2.9237   19.406   2.5127 -2.021952 3.855082 
1 1 1   10   38   19 o   10.779   2.1979   14.415   5.4048   6.6000   8.8881   19.000   6.8082   8.5246   3.2234   12.370   2.4175 -3.845193 4.029227 
1 1 1   10   38   20 o   11.369   1.7920   15.787   4.6514   21.000   6.9242   11.500   6.2792   13.031   2.3361   9.6107   2.6708 3.419890 3.548344 
1 1 1   10   38   21 o   41.319   2.6337  207.407   25.563  222.800   36.201  192.100   36.101   42.290   3.6612   39.072   3.9679 3.218945 5.399000 
1 1 1   10   38   22 f   11.105   1.7844   15.095   4.5207   17.900   6.5890   12.600   6.2140   11.976   2.4134   10.016   2.6034 1.959879 3.549925 
1 1 1   10   38   23 o   31.671   2.2243  121.428   16.529  130.300   23.610  112.900   23.148   32.436   3.1210   30.085   3.3133 2.351307 4.551792 
1 1 1   10   38   24 o   7.9859   2.4092   7.8000   4.9222   0.0000   0.0000   7.8000   4.9222  ?   ?    7.9859   2.4092 0.000000 2.409207 
1 1 1   10   38   25 o   32.303   3.3376  131.000   25.092   0.0000   0.0000  131.000   25.092  ?   ?    32.303   3.3376 0.000000 3.337609 
1 1 1   10   38   26 o   18.589   2.6318   43.000   11.230   0.0000   0.0000   43.000   11.230  ?   ?    18.589   2.6318 0.000000 2.631771 
1 1 1   10   38   27 o   10.894   2.6277   15.100   6.6813   0.0000   0.0000   15.100   6.6813  ?   ?    10.894   2.6277 0.000000 2.627661 
1 1 1   10   38   28 o   37.847   3.7542  184.100   33.109   0.0000   0.0000  184.100   33.109  ?   ?    37.847   3.7542 0.000000 3.754246 
1 1 1   10   38   29 o   43.252   4.1783  245.200   42.143   0.0000   0.0000  245.200   42.143  ?   ?    43.252   4.1783 0.000000 4.178275 
1 1 1   10   38   30 o   32.980   3.4276  139.200   26.304   0.0000   0.0000  139.200   26.304  ?   ?    32.980   3.4276 0.000000 3.427593 
1 1 1   10   38   31 o   21.114   2.7708   56.200   13.481   0.0000   0.0000   56.200   13.481  ?   ?    21.114   2.7708 0.000000 2.770768 
1 1 1   10   38   32 o   24.840   2.9900   78.900   17.186   0.0000   0.0000   78.900   17.186  ?   ?    24.840   2.9900 0.000000 2.990006 
1 1 1   10   38   33 o   24.485   2.9645   77.500   16.791   0.0000   0.0000   77.500   16.791  ?   ?    24.485   2.9645 0.000000 2.964507 
1 1 1   10   38   34 o   6.9948   2.4830   5.6000   5.1458   0.0000   0.0000   5.6000   5.1458  ?   ?    6.9948   2.4830 0.000000 2.483027 
1 1 1   10   38   35 o   8.0079   2.4866   8.3000   5.1956   0.0000   0.0000   8.3000   5.1956  ?   ?    8.0079   2.4866 0.000000 2.486649 
1 1 1   10   38   36 o   10.018   2.8963   13.800   7.2390   0.0000   0.0000   13.800   7.2390  ?   ?    10.018   2.8963 0.000000 2.896286 
1 1 1   10   38   37 o   11.842   2.9203   19.600   8.1148   0.0000   0.0000   19.600   8.1148  ?   ?    11.842   2.9203 0.000000 2.920259 
1 1 1   10   38   38 o   5.5027   2.3273   1.2000   5.2116   0.0000   0.0000   1.2000   5.2116  ?   ?    5.5027   2.3273 0.000000 2.327277 
1 1 1   10   38   39 o   10.765   2.7313   16.200   6.9539   0.0000   0.0000   16.200   6.9539  ?   ?    10.765   2.7313 0.000000 2.731299 
1 1 1   10   39    0 o   29.683   3.2978  109.100   22.385  109.100   22.385  109.100   22.385   29.683   3.2978   29.683   3.2978 -0.000000 0.000000 
1 1 1   10   39    1 o   29.156   2.1827  102.070   14.919   99.800   20.747  104.500   21.469   28.581   3.1249   29.243   3.1593 -0.6615219 4.443655 
1 1 1   10   39    2 o   73.831   4.3608  675.197   75.690  779.500  106.992  570.700  107.091   77.915   5.8581   65.469   7.0376 12.44632 9.156708 
1 1 1   10   39    3 o   20.715   1.9408   51.563   9.3827   64.100   13.236   38.900   13.302   23.002   2.4759   17.649   3.3135 5.353024 4.136354 
1 1 1   10   39    4 o   29.817   2.1897  106.762   15.310   92.800   21.622  120.800   21.681   27.454   3.4086   31.522   2.9469 -4.068727 4.505903 
1 1 1   10   39    5 o   30.585   2.2362  112.391   16.039  119.600   22.619  105.100   22.746   31.314   3.0996   29.256   3.3531 2.058483 4.566297 
1 1 1   10   39    6 o   5.0582   1.8525   2.4437   2.8912   3.4000   3.8453   1.2000   4.3853   5.8875   2.1394   5.3396   2.1856 0.5478649 3.058440 
1 1 1   10   39    7 o   48.757   2.9496  287.800   33.800  332.700   48.100  244.000   47.507   51.940   3.9514   44.082   4.6332 7.858009 6.089369 
1 1 1   10   39    8 f   23.460   2.0774   66.190   11.389   54.300   16.425   77.200   15.806   20.881   3.4519   25.203   2.6978 -4.322609 4.381076 
1 1 1   10   39    9 o   49.980   2.8635  302.069   33.654  204.900   47.394  400.900   47.797   40.068   5.1266   57.249   3.5532 -17.18031 6.237599 
1 1 1   10   39   10 o   81.326   4.7415  828.811   90.660  840.400  128.997  817.500  127.444   79.332   6.9562   78.217   6.9732 1.115005 9.849602 
1 1 1   10   39   11 o   67.014   3.7474  551.527   59.062  627.200   83.875  477.100   83.182   70.362   5.0823   60.632   5.8840 9.730587 7.775015 
1 1 1   10   39   12 o   9.4454   2.1836   11.089   4.7729   3.3000   7.4548   16.500   6.2132   7.2372   2.8901   11.531   2.3612 -4.294226 3.732049 
1 1 1   10   39   13 o   25.029   1.8602   75.064   10.915   92.200   15.795   59.400   15.102   27.616   2.4475   21.977   2.9874 5.639151 3.862000 
1 1 1   10   39   14 f   27.506   2.1007   90.946   13.541   98.300   19.091   83.500   19.210   28.386   2.8884   26.046   3.1902 2.340693 4.303504 
1 1 1   10   39   15 o   19.772   1.9987   47.145   9.2033   41.000   13.700   52.200   12.424   18.087   3.3304   20.673   2.6029 -2.586004 4.226857 
1 1 1   10   39   16 o   22.883   1.8941   62.894   10.143   71.100   14.532   55.100   14.163   24.172   2.5861   21.156   2.9123 3.016006 3.894756 
1 1 1   10   39   17 o   26.414   1.8361   83.636   11.381  109.300   16.455   60.100   15.758   30.083   2.3347   22.030   3.1160 8.052498 3.893629 
1 1 1   10   39   18 o   15.134   1.7846   27.699   6.2549   39.800   9.2993   17.700   8.4528   18.081   2.2250   11.840   3.0152 6.240669 3.747251 
1 1 1   10   39   19 o   26.422   2.0993   84.229   12.990   60.000   18.420  108.200   18.322   21.747   3.7207   29.797   2.6310 -8.049639 4.556957 
1 1 1   10   39   20 o   20.116   1.8856   48.831   8.8523   53.200   13.139   45.200   11.979   20.766   2.7470   19.120   2.7308 1.645657 3.873436 
1 1 1   10   39   21 o   41.174   2.5695  206.304   24.858  232.100   35.505  181.500   34.815   43.137   3.5162   37.849   3.9537 5.288025 5.291062 
1 1 1   10   39   22 o   16.193   2.6148   32.600   9.6578   0.0000   0.0000   32.600   9.6578  ?   ?    16.193   2.6148 0.000000 2.614779 
1 1 1   10   39   23 o   18.908   2.6800   44.400   11.631   0.0000   0.0000   44.400   11.631  ?   ?    18.908   2.6800 0.000000 2.680026 
1 1 1   10   39   24 o   31.156   3.2568  121.800   23.607   0.0000   0.0000  121.800   23.607  ?   ?    31.156   3.2568 0.000000 3.256838 
1 1 1   10   39   25 o   34.552   3.5030  151.400   28.185   0.0000   0.0000  151.400   28.185  ?   ?    34.552   3.5030 0.000000 3.502953 
1 1 1   10   39   26 o   12.842   2.5330   20.800   7.4082   0.0000   0.0000   20.800   7.4082  ?   ?    12.842   2.5330 0.000000 2.533024 
1 1 1   10   39   27 o   29.820   3.1920  112.100   22.128   0.0000   0.0000  112.100   22.128  ?   ?    29.820   3.1920 0.000000 3.191990 
1 1 1   10   39   28 o   34.517   3.5266  152.500   28.340   0.0000   0.0000  152.500   28.340  ?   ?    34.517   3.5266 0.000000 3.526578 
1 1 1   10   39   29 o   2.9208   1.3319  -1.3000   2.0331   0.0000   0.0000  -1.3000   2.0331  ?   ?    2.9208   1.3319 0.000000 1.331904 
1 1 1   10   39   30 o   20.566   2.7768   53.500   13.141   0.0000   0.0000   53.500   13.141  ?   ?    20.566   2.7768 0.000000 2.776832 
1 1 1   10   39   31 o   17.378   2.6809   38.500   10.647   0.0000   0.0000   38.500   10.647  ?   ?    17.378   2.6809 0.000000 2.680940 
1 1 1   10   39   32 o   13.072   2.5528   22.100   7.5971   0.0000   0.0000   22.100   7.5971  ?   ?    13.072   2.5528 0.000000 2.552782 
1 1 1   10   39   33 o   9.4500   2.8139   11.800   6.7471   0.0000   0.0000   11.800   6.7471  ?   ?    9.4500   2.8139 0.000000 2.813882 
1 1 1   10   39   34 o   8.6677   2.6871   9.9000   6.0698   0.0000   0.0000   9.9000   6.0698  ?   ?    8.6677   2.6871 0.000000 2.687094 
1 1 1   10   39   35 o   10.825   2.6773   15.900   6.8056   0.0000   0.0000   15.900   6.8056  ?   ?    10.825   2.6773 0.000000 2.677280 
1 1 1   10   39   36 o   4.0654   1.8582  -2.2000   3.9870   0.0000   0.0000  -2.2000   3.9870  ?   ?    4.0654   1.8582 0.000000 1.858211 
1 1 1   10   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   39   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   40    0 o   72.328   6.2294  660.600  104.577  660.600  104.577  660.600  104.577   72.328   6.2294   72.328   6.2294 0.000000 0.000000 
1 1 1   10   40    1 o   17.956   1.8952   38.828   7.9143   31.000   11.074   47.000   11.315   15.758   3.0864   19.648   2.4950 -3.889509 3.968758 
1 1 1   10   40    2 o   19.297   1.9241   44.804   8.6507   47.300   12.225   42.300   12.243   19.660   2.7048   18.526   2.8933 1.134617 3.960704 
1 1 1   10   40    3 o   40.612   2.6064  198.867   24.863  228.500   35.242  169.500   35.083   43.203   3.4842   36.914   4.0938 6.288990 5.375717 
1 1 1   10   40    4 o   35.285   2.3907  149.800   19.801  143.800   27.888  155.900   28.121   34.204   3.5022   35.674   3.3784 -1.470139 4.866132 
1 1 1   10   40    5 o   22.296   1.9604   59.722   10.217   70.300   14.434   49.100   14.464   24.064   2.5804   19.905   3.1846 4.159456 4.098780 
1 1 1   10   40    6 o   56.805   3.4069  393.852   45.488  374.000   64.252  413.800   64.407   54.291   5.0706   57.326   4.8022 -3.035358 6.983660 
1 1 1   10   40    7 o   9.2160   1.9937   10.518   4.2126   16.100   6.7754   7.0000   5.3786   11.358   2.5844   7.7762   2.5433 3.581624 3.625926 
1 1 1   10   40    8 o   11.250   2.0514   15.566   5.2487   17.200   8.6094   14.600   6.6214   11.712   3.0742   10.810   2.6210 0.9012175 4.039847 
1 1 1   10   40    9 o   4.1620   1.7532   0.2194   2.9386  -3.9000   5.7150   1.7000   3.4263   4.8468   2.2189   5.0074   1.9720 -0.1605864 2.968517 
1 1 1   10   40   10 o   31.022   2.2381  115.758   16.285  106.700   23.041  124.800   23.019   29.431   3.3765   31.959   3.0888 -2.528133 4.576140 
1 1 1   10   40   11 o   39.585   2.6348  189.390   24.488  151.600   34.696  226.900   34.567   34.708   4.3273   43.010   3.4322 -8.301144 5.523190 
1 1 1   10   40   12 o   15.549   1.7643   29.156   6.3633   36.400   9.6584   23.600   8.4585   17.252   2.4388   13.771   2.6977 3.481403 3.636714 
1 1 1   10   40   13 o   21.457   2.0160   55.471   10.095   51.200   14.584   59.400   13.987   20.316   3.1414   22.029   2.7486 -1.712709 4.174087 
1 1 1   10   40   14 o   31.744   2.2459  121.392   16.726  100.700   23.650  142.100   23.659   28.444   3.6017   34.115   2.9664 -5.670717 4.666038 
1 1 1   10   40   15 o   41.023   2.6738  204.105   25.760  183.400   36.478  224.700   36.381   38.195   4.1092   42.575   3.6542 -4.379658 5.498918 
1 1 1   10   40   16 o   5.1453   1.8522   2.6597   2.8729   21.300   6.4242  -2.0000   3.2120   13.167   2.1397   3.6882   1.6788 9.478603 2.719681 
1 1 1   10   40   17 o   24.130   2.0690   70.292   11.675   56.600   16.694   83.400   16.334   21.206   3.4524   26.113   2.6873 -4.906853 4.375041 
1 1 1   10   40   18 o   50.373   3.2842  313.160   38.851  257.600   55.174  367.800   54.715   44.072   5.4155   53.755   4.3477 -9.682739 6.944816 
1 1 1   10   40   19 o   18.478   2.7054   42.300   11.455   0.0000   0.0000   42.300   11.455  ?   ?    18.478   2.7054 0.000000 2.705437 
1 1 1   10   40   20 o   25.776   2.9585   82.300   17.681   0.0000   0.0000   82.300   17.681  ?   ?    25.776   2.9585 0.000000 2.958517 
1 1 1   10   40   21 o   29.261   3.1300  106.700   21.291   0.0000   0.0000  106.700   21.291  ?   ?    29.261   3.1300 0.000000 3.129962 
1 1 1   10   40   22 o   10.104   2.4947   12.900   5.9167   0.0000   0.0000   12.900   5.9167  ?   ?    10.104   2.4947 0.000000 2.494691 
1 1 1   10   40   23 o   20.736   2.7694   53.600   13.222   0.0000   0.0000   53.600   13.222  ?   ?    20.736   2.7694 0.000000 2.769362 
1 1 1   10   40   24 o   29.589   3.1973  110.100   21.984   0.0000   0.0000  110.100   21.984  ?   ?    29.589   3.1973 0.000000 3.197304 
1 1 1   10   40   25 o   8.4090   2.4671   8.8000   5.2182   0.0000   0.0000   8.8000   5.2182  ?   ?    8.4090   2.4671 0.000000 2.467083 
1 1 1   10   40   26 f   8.7560   2.5525   9.6000   5.6017   0.0000   0.0000   9.6000   5.6017  ?   ?    8.7560   2.5525 0.000000 2.552499 
1 1 1   10   40   27 o   14.752   2.6316   27.500   8.8310   0.0000   0.0000   27.500   8.8310  ?   ?    14.752   2.6316 0.000000 2.631580 
1 1 1   10   40   28 o   35.467   3.6326  162.800   29.994   0.0000   0.0000  162.800   29.994  ?   ?    35.467   3.6326 0.000000 3.632568 
1 1 1   10   40   29 o   28.691   3.2302  105.900   21.503   0.0000   0.0000  105.900   21.503  ?   ?    28.691   3.2302 0.000000 3.230176 
1 1 1   10   40   30 o   27.405   3.1693   97.500   20.131   0.0000   0.0000   97.500   20.131  ?   ?    27.405   3.1693 0.000000 3.169311 
1 1 1   10   40   31 o   12.577   2.5746   20.600   7.3887   0.0000   0.0000   20.600   7.3887  ?   ?    12.577   2.5746 0.000000 2.574569 
1 1 1   10   40   32 o   3.3742   1.5490  -1.9000   2.8118   0.0000   0.0000  -1.9000   2.8118  ?   ?    3.3742   1.5490 0.000000 1.548998 
1 1 1   10   40   33 o   12.767   2.9406   22.300   8.6823   0.0000   0.0000   22.300   8.6823  ?   ?    12.767   2.9406 0.000000 2.940635 
1 1 1   10   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   40   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   41    0 o   23.766   2.9815   70.500   16.018   70.500   16.018   70.500   16.018   23.766   2.9815   23.766   2.9815 0.000000 0.000000 
1 1 1   10   41    1 o   27.506   2.1643   90.978   13.944   65.400   19.769  116.300   19.670   22.829   3.8009   30.970   2.7172 -8.140703 4.672220 
1 1 1   10   41    2 o   30.179   2.2247  109.525   15.743  111.100   22.090  107.900   22.441   30.126   3.1519   29.649   3.2591 0.4776974 4.533837 
1 1 1   10   41    3 o   22.268   1.9822   59.617   10.314   65.400   14.628   53.900   14.544   23.154   2.7276   20.908   3.0346 2.246767 4.080317 
1 1 1   10   41    4 o   55.017   3.2209  368.591   41.662  319.600   58.560  418.800   59.283   50.145   5.0127   57.937   4.3653 -7.791420 6.647029 
1 1 1   10   41    5 o   28.194   2.0625   95.436   13.636   80.800   18.936  111.200   19.653   25.622   3.1996   30.250   2.7825 -4.628595 4.240248 
1 1 1   10   41    6 o   21.522   1.8216   55.571   9.1709   69.500   13.207   42.600   12.744   23.967   2.3644   18.545   3.0138 5.422930 3.830602 
1 1 1   10   41    7 o   9.6386   2.0278   11.502   4.4692   11.600   6.2495   11.400   6.3938   9.6660   2.6561   9.5977   2.7050 0.6828499E-01 3.791038 
1 1 1   10   41    8 o   54.388   3.2713  360.923   41.817  372.000   59.624  350.200   58.665   54.308   4.6955   52.628   4.7726 1.679993 6.695191 
1 1 1   10   41    9 o   28.828   2.1917  100.035   14.808  102.300   21.818   98.100   20.163   28.827   3.2625   28.290   3.0675 0.5379066 4.478129 
1 1 1   10   41   10 o   18.759   1.7981   42.326   7.8675   52.700   11.251   32.400   11.005   20.836   2.3266   16.108   3.0039 4.727774 3.799534 
1 1 1   10   41   11 o   40.846   2.6500  202.092   25.422  202.700   36.196  201.500   35.714   40.356   3.8448   40.258   3.8019 0.9760666E-01 5.407115 
1 1 1   10   41   12 f   39.571   2.4090  189.043   22.403  238.300   31.865  140.900   31.502   44.151   3.0756   33.445   4.0731 10.70606 5.103840 
1 1 1   10   41   13 o   65.848   3.8125  538.854   59.027  625.900   83.890  453.500   83.071   69.597   5.1410   58.143   6.1435 11.45400 8.010772 
1 1 1   10   41   14 o   9.5554   1.8122   11.256   3.9394   13.600   6.2373   9.7000   5.0811   10.411   2.5560   8.8273   2.3823 1.583568 3.494056 
1 1 1   10   41   15 f   29.194   2.1928  102.980   15.007   91.700   21.299  114.100   21.147   27.106   3.4027   30.456   2.9786 -3.350367 4.522157 
1 1 1   10   41   16 o   14.658   2.5423   26.700   8.4807   0.0000   0.0000   26.700   8.4807  ?   ?    14.658   2.5423 0.000000 2.542337 
1 1 1   10   41   17 o   6.7130   2.2618   5.1000   4.2464   0.0000   0.0000   5.1000   4.2464  ?   ?    6.7130   2.2618 0.000000 2.261764 
1 1 1   10   41   18 o   25.542   2.9387   80.800   17.401   0.0000   0.0000   80.800   17.401  ?   ?    25.542   2.9387 0.000000 2.938664 
1 1 1   10   41   19 o   32.230   3.3295  130.100   24.975   0.0000   0.0000  130.100   24.975  ?   ?    32.230   3.3295 0.000000 3.329523 
1 1 1   10   41   20 o   15.836   2.6843   31.400   9.6795   0.0000   0.0000   31.400   9.6795  ?   ?    15.836   2.6843 0.000000 2.684280 
1 1 1   10   41   21 o   8.1010   2.5130   8.0000   5.3078   0.0000   0.0000   8.0000   5.3078  ?   ?    8.1010   2.5130 0.000000 2.513003 
1 1 1   10   41   22 o   22.112   2.7827   60.900   14.208   0.0000   0.0000   60.900   14.208  ?   ?    22.112   2.7827 0.000000 2.782672 
1 1 1   10   41   23 o   25.597   2.9865   82.000   17.712   0.0000   0.0000   82.000   17.712  ?   ?    25.597   2.9865 0.000000 2.986493 
1 1 1   10   41   24 o   7.0825   2.2596   6.0000   4.2625   0.0000   0.0000   6.0000   4.2625  ?   ?    7.0825   2.2596 0.000000 2.259615 
1 1 1   10   41   25 o   11.371   2.6429   16.500   6.9616   0.0000   0.0000   16.500   6.9616  ?   ?    11.371   2.6429 0.000000 2.642870 
1 1 1   10   41   26 o   5.9673   2.1746   3.6000   3.9769   0.0000   0.0000   3.6000   3.9769  ?   ?    5.9673   2.1746 0.000000 2.174600 
1 1 1   10   41   27 o   37.255   3.7979  182.100   32.943   0.0000   0.0000  182.100   32.943  ?   ?    37.255   3.7979 0.000000 3.797864 
1 1 1   10   41   28 o   37.841   3.8833  191.200   34.208   0.0000   0.0000  191.200   34.208  ?   ?    37.841   3.8833 0.000000 3.883311 
1 1 1   10   41   29 o   21.761   2.9727   61.500   14.876   0.0000   0.0000   61.500   14.876  ?   ?    21.761   2.9727 0.000000 2.972708 
1 1 1   10   41   30 f   34.438   3.8082  163.900   30.450   0.0000   0.0000  163.900   30.450  ?   ?    34.438   3.8082 0.000000 3.808155 
1 1 1   10   41   31 o   8.4257   2.9185   8.9000   7.0801   0.0000   0.0000   8.9000   7.0801  ?   ?    8.4257   2.9185 0.000000 2.918462 
1 1 1   10   41   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42    0 o   52.081   4.7215  338.100   56.968  338.100   56.968  338.100   56.968   52.081   4.7215   52.081   4.7215 -0.000000 0.000000 
1 1 1   10   42    1 o   23.586   2.0086   66.920   11.081   72.300   15.641   61.500   15.700   24.328   2.7722   22.330   3.0578 1.997522 4.127401 
1 1 1   10   42    2 o   10.061   1.9841   12.500   4.5461   12.500   6.6306   12.500   6.2451   10.017   2.7290   10.007   2.6142 0.1018143E-01 3.779122 
1 1 1   10   42    3 o   29.169   2.1596  102.374   14.769  106.500   20.954   98.300   20.820   29.484   3.0539   28.275   3.1731 1.209862 4.403915 
1 1 1   10   42    4 o   23.894   2.0388   68.724   11.393   77.700   15.961   59.400   16.268   25.238   2.7213   21.871   3.2486 3.366285 4.237823 
1 1 1   10   42    5 o   21.914   1.9782   57.828   10.126   53.400   14.539   62.000   14.112   20.771   3.0557   22.514   2.7089 -1.743065 4.083528 
1 1 1   10   42    6 o   22.475   1.9522   60.786   10.258   63.100   14.550   58.500   14.464   22.691   2.7731   21.805   2.8796 0.8858070 3.997790 
1 1 1   10   42    7 o   44.560   2.8455  241.421   29.784  228.500   42.238  254.200   42.006   42.596   4.2562   45.116   3.9838 -2.519955 5.829765 
1 1 1   10   42    8 o   51.157   3.2164  320.641   38.656  304.800   55.005  336.100   54.336   48.777   4.8394   51.495   4.5141 -2.717747 6.617956 
1 1 1   10   42    9 o   22.840   2.2002   63.145   11.720   44.600   17.205   79.200   16.009   18.610   4.0316   25.455   2.7047 -6.844833 4.854779 
1 1 1   10   42   10 o   29.115   2.1517  102.211   14.688  100.900   20.862  103.500   20.684   28.596   3.1413   28.994   3.0677 -0.3981133 4.390677 
1 1 1   10   42   11 o   20.113   1.9430   48.842   9.1131   44.400   13.189   52.900   12.606   18.857   3.0673   20.757   2.6310 -1.899904 4.041070 
1 1 1   10   42   12 o   45.159   2.8615  249.092   30.357  254.300   43.174  244.000   42.692   44.844   4.1233   43.888   4.1695 0.9559822 5.863999 
1 1 1   10   42   13 o   37.515   3.7215  176.500   32.533   0.0000   0.0000  176.500   32.533  ?   ?    37.515   3.7215 0.000000 3.721532 
1 1 1   10   42   14 o   22.755   2.8549   64.000   15.003   0.0000   0.0000   64.000   15.003  ?   ?    22.755   2.8549 0.000000 2.854948 
1 1 1   10   42   15 o   10.090   2.4543   12.800   5.7916   0.0000   0.0000   12.800   5.7916  ?   ?    10.090   2.4543 0.000000 2.454345 
1 1 1   10   42   16 o   19.845   2.7610   48.900   12.587   0.0000   0.0000   48.900   12.587  ?   ?    19.845   2.7610 0.000000 2.760990 
1 1 1   10   42   17 o   19.417   2.6930   46.800   12.015   0.0000   0.0000   46.800   12.015  ?   ?    19.417   2.6930 0.000000 2.693017 
1 1 1   10   42   18 f   15.559   2.6507   30.300   9.3900   0.0000   0.0000   30.300   9.3900  ?   ?    15.559   2.6507 0.000000 2.650718 
1 1 1   10   42   19 o   10.428   2.6744   13.800   6.6171   0.0000   0.0000   13.800   6.6171  ?   ?    10.428   2.6744 0.000000 2.674355 
1 1 1   10   42   20 o   5.9589   2.1844   3.5000   4.0213   0.0000   0.0000   3.5000   4.0213  ?   ?    5.9589   2.1844 0.000000 2.184393 
1 1 1   10   42   21 o   19.925   2.7247   49.500   12.484   0.0000   0.0000   49.500   12.484  ?   ?    19.925   2.7247 0.000000 2.724653 
1 1 1   10   42   22 o   7.5429   2.4858   6.7000   5.1346   0.0000   0.0000   6.7000   5.1346  ?   ?    7.5429   2.4858 0.000000 2.485781 
1 1 1   10   42   23 o   18.350   2.6922   42.200   11.319   0.0000   0.0000   42.200   11.319  ?   ?    18.350   2.6922 0.000000 2.692249 
1 1 1   10   42   24 f   14.148   2.9395   25.700   9.4995   0.0000   0.0000   25.700   9.4995  ?   ?    14.148   2.9395 0.000000 2.939527 
1 1 1   10   42   25 o   17.587   2.8100   39.300   11.277   0.0000   0.0000   39.300   11.277  ?   ?    17.587   2.8100 0.000000 2.809971 
1 1 1   10   42   26 o   27.974   3.2154  100.800   20.853   0.0000   0.0000  100.800   20.853  ?   ?    27.974   3.2154 0.000000 3.215368 
1 1 1   10   42   27 o   29.088   3.3448  111.000   22.556   0.0000   0.0000  111.000   22.556  ?   ?    29.088   3.3448 0.000000 3.344834 
1 1 1   10   42   28 o   13.385   3.0426   24.000   9.3990   0.0000   0.0000   24.000   9.3990  ?   ?    13.385   3.0426 0.000000 3.042646 
1 1 1   10   42   29 o   15.861   2.9858   33.700   10.772   0.0000   0.0000   33.700   10.772  ?   ?    15.861   2.9858 0.000000 2.985757 
1 1 1   10   42   30 o   4.7784   2.1438  -1.7000   5.0186   0.0000   0.0000  -1.7000   5.0186  ?   ?    4.7784   2.1438 0.000000 2.143806 
1 1 1   10   42   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   42   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   43    0 o   8.7113   3.5601   12.700   7.2116   12.700   7.2116   12.700   7.2116   8.7113   3.5601   8.7113   3.5601 0.000000 0.000000 
1 1 1   10   43    1 o   5.9951   2.0543   3.9489   3.5035   7.5000   4.8283   0.0000   5.0916   7.8682   2.3889   5.3514   2.2832 2.516753 3.304506 
1 1 1   10   43    2 o   28.575   2.1906   98.525   14.669  111.200   20.724   85.800   20.766   30.115   2.9523   26.242   3.4335 3.873392 4.528224 
1 1 1   10   43    3 o   23.193   2.0015   64.840   10.854   59.500   15.131   70.500   15.579   21.928   3.0009   23.964   2.8062 -2.035772 4.108534 
1 1 1   10   43    4 o   52.638   3.2299  340.151   39.953  339.900   56.626  340.400   56.379   51.539   4.7047   51.599   4.6780 -0.6032944E-01 6.634631 
1 1 1   10   43    5 o   54.465   3.3448  365.295   42.810  356.200   60.694  374.300   60.392   52.522   4.9522   53.998   4.7859 -1.475956 6.886938 
1 1 1   10   43    6 o   30.287   2.2620  110.883   16.061  102.400   22.968  119.000   22.468   28.655   3.4648   31.073   3.1036 -2.418234 4.651540 
1 1 1   10   43    7 o   60.026   3.4264  445.138   48.365  507.500   68.796  384.200   68.006   62.947   4.6615   54.016   5.4042 8.930973 7.136940 
1 1 1   10   43    8 f   30.646   2.3405  113.784   16.809   96.700   24.088  130.000   23.468   27.669   3.7860   32.470   3.0983 -4.800600 4.892154 
1 1 1   10   43    9 o   40.174   2.6465  196.457   24.965  198.000   35.826  195.000   34.808   39.666   3.8743   39.417   3.7863 0.2498817 5.417202 
1 1 1   10   43   10 o   19.642   2.6713   47.600   12.068   0.0000   0.0000   47.600   12.068  ?   ?    19.642   2.6713 0.000000 2.671309 
1 1 1   10   43   11 o   7.2932   2.3889   6.2000   4.7448   0.0000   0.0000   6.2000   4.7448  ?   ?    7.2932   2.3889 0.000000 2.388883 
1 1 1   10   43   12 o   17.351   2.5971   37.300   10.314   0.0000   0.0000   37.300   10.314  ?   ?    17.351   2.5971 0.000000 2.597100 
1 1 1   10   43   13 o   23.173   2.8683   66.600   15.360   0.0000   0.0000   66.600   15.360  ?   ?    23.173   2.8683 0.000000 2.868276 
1 1 1   10   43   14 o   10.923   2.6462   15.100   6.7536   0.0000   0.0000   15.100   6.7536  ?   ?    10.923   2.6462 0.000000 2.646219 
1 1 1   10   43   15 o   4.7182   1.9588   0.7000   3.5891   0.0000   0.0000   0.7000   3.5891  ?   ?    4.7182   1.9588 0.000000 1.958817 
1 1 1   10   43   16 o   24.940   2.9112   77.400   16.822   0.0000   0.0000   77.400   16.822  ?   ?    24.940   2.9112 0.000000 2.911211 
1 1 1   10   43   17 o   16.870   2.8411   35.800   10.916   0.0000   0.0000   35.800   10.916  ?   ?    16.870   2.8411 0.000000 2.841136 
1 1 1   10   43   18 o   48.816   4.6205  314.000   52.627   0.0000   0.0000  314.000   52.627  ?   ?    48.816   4.6205 0.000000 4.620499 
1 1 1   10   43   19 f   20.403   2.7538   51.900   12.928   0.0000   0.0000   51.900   12.928  ?   ?    20.403   2.7538 0.000000 2.753842 
1 1 1   10   43   20 o   17.290   2.9047   37.800   11.438   0.0000   0.0000   37.800   11.438  ?   ?    17.290   2.9047 0.000000 2.904692 
1 1 1   10   43   21 o   17.862   2.9212   40.400   11.895   0.0000   0.0000   40.400   11.895  ?   ?    17.862   2.9212 0.000000 2.921182 
1 1 1   10   43   22 o   19.855   2.8099   49.600   12.806   0.0000   0.0000   49.600   12.806  ?   ?    19.855   2.8099 0.000000 2.809871 
1 1 1   10   43   23 o   28.795   3.2634  106.000   21.797   0.0000   0.0000  106.000   21.797  ?   ?    28.795   3.2634 0.000000 3.263359 
1 1 1   10   43   24 o   10.314   2.6053   13.700   6.3472   0.0000   0.0000   13.700   6.3472  ?   ?    10.314   2.6053 0.000000 2.605268 
1 1 1   10   43   25 o   11.352   2.7308   16.800   7.2309   0.0000   0.0000   16.800   7.2309  ?   ?    11.352   2.7308 0.000000 2.730771 
1 1 1   10   43   26 o   20.431   2.8515   54.100   13.382   0.0000   0.0000   54.100   13.382  ?   ?    20.431   2.8515 0.000000 2.851473 
1 1 1   10   43   27 o   21.735   2.9218   62.000   14.616   0.0000   0.0000   62.000   14.616  ?   ?    21.735   2.9218 0.000000 2.921757 
1 1 1   10   43   28 o   9.6420   2.6908   12.400   6.3596   0.0000   0.0000   12.400   6.3596  ?   ?    9.6420   2.6908 0.000000 2.690847 
1 1 1   10   43   29 o   4.5642   1.9796  -0.2000   3.9498   0.0000   0.0000  -0.2000   3.9498  ?   ?    4.5642   1.9796 0.000000 1.979637 
1 1 1   10   43   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   43   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   43   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   43   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   44    0 o   4.1993   2.7562  -1.0000   6.8623  -1.0000   6.8623  -1.0000   6.8623   4.1993   2.7562   4.1993   2.7562 0.000000 0.000000 
1 1 1   10   44    1 o   12.815   2.1802   20.263   6.3612   19.500   8.7935   21.100   9.2134   12.396   3.0297   12.889   3.0708 -0.4933853 4.313798 
1 1 1   10   44    2 o   30.936   2.2161  115.694   16.082   96.000   22.411  136.600   23.091   27.677   3.5079   33.335   2.9643 -5.658041 4.592662 
1 1 1   10   44    3 o   30.653   2.2367  113.665   16.079  122.900   22.844  104.600   22.634   31.540   3.1076   28.961   3.3729 2.579422 4.586258 
1 1 1   10   44    4 o   13.919   1.8966   23.608   6.0715   27.200   8.5195   19.900   8.6549   14.801   2.5284   12.526   2.9710 2.274804 3.901240 
1 1 1   10   44    5 o   30.004   2.2097  108.910   15.545  120.700   22.167   97.500   21.806   31.271   3.0404   27.935   3.3741 3.335556 4.541858 
1 1 1   10   44    6 o   17.789   3.0139   39.700   12.208   0.0000   0.0000   39.700   12.208  ?   ?    17.789   3.0139 0.000000 3.013865 
1 1 1   10   44    7 o   17.749   2.9709   39.500   12.011   0.0000   0.0000   39.500   12.011  ?   ?    17.749   2.9709 0.000000 2.970906 
1 1 1   10   44    8 o   9.0609   2.6350   10.200   5.9762   0.0000   0.0000   10.200   5.9762  ?   ?    9.0609   2.6350 0.000000 2.635027 
1 1 1   10   44    9 o   25.686   3.0560   82.100   18.172   0.0000   0.0000   82.100   18.172  ?   ?    25.686   3.0560 0.000000 3.056039 
1 1 1   10   44   10 o   30.476   3.3590  116.400   23.772   0.0000   0.0000  116.400   23.772  ?   ?    30.476   3.3590 0.000000 3.359025 
1 1 1   10   44   11 o   2.3789   1.1825  -6.4000   2.5837   0.0000   0.0000  -6.4000   2.5837  ?   ?    2.3789   1.1825 0.000000 1.182545 
1 1 1   10   44   12 o   31.001   3.4017  120.900   24.493   0.0000   0.0000  120.900   24.493  ?   ?    31.001   3.4017 0.000000 3.401727 
1 1 1   10   44   13 o   19.072   2.7975   45.400   12.224   0.0000   0.0000   45.400   12.224  ?   ?    19.072   2.7975 0.000000 2.797462 
1 1 1   10   44   14 o   5.8511   2.4288   1.2000   5.5169   0.0000   0.0000   1.2000   5.5169  ?   ?    5.8511   2.4288 0.000000 2.428821 
1 1 1   10   44   15 o  ?   ?  -11.6000   1.6743   0.0000   0.0000 -11.6000   1.6743  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   44   16 o   6.5098   2.6100   2.7000   6.1062   0.0000   0.0000   2.7000   6.1062  ?   ?    6.5098   2.6100 0.000000 2.609971 
1 1 1   10   44   17 o   24.169   2.9583   73.100   16.531   0.0000   0.0000   73.100   16.531  ?   ?    24.169   2.9583 0.000000 2.958340 
1 1 1   10   44   18 o   15.387   3.0568   30.300   10.715   0.0000   0.0000   30.300   10.715  ?   ?    15.387   3.0568 0.000000 3.056757 
1 1 1   10   44   19 o   22.251   3.0323   62.500   15.518   0.0000   0.0000   62.500   15.518  ?   ?    22.251   3.0323 0.000000 3.032324 
1 1 1   10   44   20 o   31.016   3.3108  122.400   23.874   0.0000   0.0000  122.400   23.874  ?   ?    31.016   3.3108 0.000000 3.310848 
1 1 1   10   44   21 o   10.410   2.6270   13.900   6.4579   0.0000   0.0000   13.900   6.4579  ?   ?    10.410   2.6270 0.000000 2.627028 
1 1 1   10   44   22 o   27.481   3.2259   97.200   20.535   0.0000   0.0000   97.200   20.535  ?   ?    27.481   3.2259 0.000000 3.225910 
1 1 1   10   44   23 o   2.8188   1.4016  -8.9000   3.6384   0.0000   0.0000  -8.9000   3.6384  ?   ?    2.8188   1.4016 0.000000 1.401558 
1 1 1   10   44   24 o   20.574   3.0701   55.500   14.459   0.0000   0.0000   55.500   14.459  ?   ?    20.574   3.0701 0.000000 3.070060 
1 1 1   10   44   25 o   44.547   4.9157  298.300   50.847   0.0000   0.0000  298.300   50.847  ?   ?    44.547   4.9157 0.000000 4.915665 
1 1 1   10   44   26 o   35.188   3.9782  176.100   32.475   0.0000   0.0000  176.100   32.475  ?   ?    35.188   3.9782 0.000000 3.978196 
1 1 1   10   44   27 o   9.0048   3.0857   10.500   7.9048   0.0000   0.0000   10.500   7.9048  ?   ?    9.0048   3.0857 0.000000 3.085657 
1 1 1   10   44   28 o   13.265   3.0302   24.300   9.2834   0.0000   0.0000   24.300   9.2834  ?   ?    13.265   3.0302 0.000000 3.030182 
1 1 1   10   44   29 o   5.1726   2.2258   0.3000   4.9143   0.0000   0.0000   0.3000   4.9143  ?   ?    5.1726   2.2258 0.000000 2.225811 
1 1 1   10   44   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   44   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   45    0 o   2.4544   1.7855 -12.9000   5.9046 -12.9000   5.9046 -12.9000   5.9046   2.4544   1.7855   2.4544   1.7855 0.000000 0.000000 
1 1 1   10   45    1 o   11.097   2.7601   15.600   7.2024   0.0000   0.0000   15.600   7.2024  ?   ?    11.097   2.7601 0.000000 2.760102 
1 1 1   10   45    2 o   16.325   2.7366   33.300   10.176   0.0000   0.0000   33.300   10.176  ?   ?    16.325   2.7366 0.000000 2.736647 
1 1 1   10   45    3 o   36.100   3.6722  164.500   30.867   0.0000   0.0000  164.500   30.867  ?   ?    36.100   3.6722 0.000000 3.672194 
1 1 1   10   45    4 o   23.654   2.9593   69.600   16.167   0.0000   0.0000   69.600   16.167  ?   ?    23.654   2.9593 0.000000 2.959309 
1 1 1   10   45    5 o   13.449   2.8301   22.900   8.7030   0.0000   0.0000   22.900   8.7030  ?   ?    13.449   2.8301 0.000000 2.830074 
1 1 1   10   45    6 o   38.574   3.8365  189.100   34.482   0.0000   0.0000  189.100   34.482  ?   ?    38.574   3.8365 0.000000 3.836467 
1 1 1   10   45    7 o   17.099   2.7950   36.600   10.895   0.0000   0.0000   36.600   10.895  ?   ?    17.099   2.7950 0.000000 2.795010 
1 1 1   10   45    8 o   34.984   3.6628  155.000   29.809   0.0000   0.0000  155.000   29.809  ?   ?    34.984   3.6628 0.000000 3.662771 
1 1 1   10   45    9 o   9.5595   3.0164   11.200   7.6120   0.0000   0.0000   11.200   7.6120  ?   ?    9.5595   3.0164 0.000000 3.016417 
1 1 1   10   45   10 o   43.354   4.1339  241.900   41.808   0.0000   0.0000  241.900   41.808  ?   ?    43.354   4.1339 0.000000 4.133873 
1 1 1   10   45   11 o   14.001   3.0034   25.000   9.6324   0.0000   0.0000   25.000   9.6324  ?   ?    14.001   3.0034 0.000000 3.003438 
1 1 1   10   45   12 o   47.580   4.5212  296.100   50.187   0.0000   0.0000  296.100   50.187  ?   ?    47.580   4.5212 0.000000 4.521176 
1 1 1   10   45   13 o   20.360   2.9444   52.000   13.745   0.0000   0.0000   52.000   13.745  ?   ?    20.360   2.9444 0.000000 2.944432 
1 1 1   10   45   14 o   15.762   2.6883   31.200   9.6467   0.0000   0.0000   31.200   9.6467  ?   ?    15.762   2.6883 0.000000 2.688309 
1 1 1   10   45   15 o   22.735   2.9805   64.900   15.616   0.0000   0.0000   64.900   15.616  ?   ?    22.735   2.9805 0.000000 2.980523 
1 1 1   10   45   16 o   11.468   2.7441   16.800   7.3317   0.0000   0.0000   16.800   7.3317  ?   ?    11.468   2.7441 0.000000 2.744072 
1 1 1   10   45   17 o   10.149   3.1027   13.000   8.1248   0.0000   0.0000   13.000   8.1248  ?   ?    10.149   3.1027 0.000000 3.102696 
1 1 1   10   45   18 o   24.080   3.0777   73.600   17.100   0.0000   0.0000   73.600   17.100  ?   ?    24.080   3.0777 0.000000 3.077716 
1 1 1   10   45   19 o   30.344   3.3356  118.300   23.507   0.0000   0.0000  118.300   23.507  ?   ?    30.344   3.3356 0.000000 3.335628 
1 1 1   10   45   20 o   33.173   3.5530  143.900   27.398   0.0000   0.0000  143.900   27.398  ?   ?    33.173   3.5530 0.000000 3.552978 
1 1 1   10   45   21 o   15.275   3.1259   30.800   10.895   0.0000   0.0000   30.800   10.895  ?   ?    15.275   3.1259 0.000000 3.125925 
1 1 1   10   45   22 o   15.117   3.0481   30.300   10.505   0.0000   0.0000   30.300   10.505  ?   ?    15.117   3.0481 0.000000 3.048064 
1 1 1   10   45   23 o   20.926   2.8420   57.100   13.680   0.0000   0.0000   57.100   13.680  ?   ?    20.926   2.8420 0.000000 2.842019 
1 1 1   10   45   24 o   44.382   4.9668  303.900   51.161   0.0000   0.0000  303.900   51.161  ?   ?    44.382   4.9668 0.000000 4.966833 
1 1 1   10   45   25 o   23.415   3.0131   73.200   16.273   0.0000   0.0000   73.200   16.273  ?   ?    23.415   3.0131 0.000000 3.013063 
1 1 1   10   45   26 o  ?   ?   -9.4000   1.4944   0.0000   0.0000  -9.4000   1.4944  ?   ?   ?   ?  0.000000      ? 
1 1 1   10   45   27 o   17.052   2.9088   39.400   11.293   0.0000   0.0000   39.400   11.293  ?   ?    17.052   2.9088 0.000000 2.908825 
1 1 1   10   45   28 o   8.2527   2.9940   8.4000   7.5267   0.0000   0.0000   8.4000   7.5267  ?   ?    8.2527   2.9940 0.000000 2.994028 
1 1 1   10   45   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   46    7 o   26.457   3.1970   87.800   19.568   0.0000   0.0000   87.800   19.568  ?   ?    26.457   3.1970 0.000000 3.197021 
1 1 1   10   46    8 o   69.427   6.8559  704.400  110.928   0.0000   0.0000  704.400  110.928  ?   ?    69.427   6.8559 0.000000 6.855871 
1 1 1   10   46    9 o   34.285   3.6131  149.300   28.811   0.0000   0.0000  149.300   28.811  ?   ?    34.285   3.6131 0.000000 3.613140 
1 1 1   10   46   10 o   7.0395   2.7147   4.2000   6.3842   0.0000   0.0000   4.2000   6.3842  ?   ?    7.0395   2.7147 0.000000 2.714673 
1 1 1   10   46   11 o   10.269   2.6889   13.400   6.5972   0.0000   0.0000   13.400   6.5972  ?   ?    10.269   2.6889 0.000000 2.688862 
1 1 1   10   46   12 o   21.203   2.9506   56.500   14.372   0.0000   0.0000   56.500   14.372  ?   ?    21.203   2.9506 0.000000 2.950619 
1 1 1   10   46   13 o   50.712   4.9030  346.800   57.981   0.0000   0.0000  346.800   57.981  ?   ?    50.712   4.9030 0.000000 4.903049 
1 1 1   10   46   14 o   28.228   3.3190  101.400   21.701   0.0000   0.0000  101.400   21.701  ?   ?    28.228   3.3190 0.000000 3.319017 
1 1 1   10   46   15 o   36.498   3.7504  172.800   31.864   0.0000   0.0000  172.800   31.864  ?   ?    36.498   3.7504 0.000000 3.750428 
1 1 1   10   46   16 o   25.319   3.1685   81.900   18.528   0.0000   0.0000   81.900   18.528  ?   ?    25.319   3.1685 0.000000 3.168464 
1 1 1   10   46   17 o   14.396   2.8268   26.700   9.2665   0.0000   0.0000   26.700   9.2665  ?   ?    14.396   2.8268 0.000000 2.826797 
1 1 1   10   46   18 o   24.590   3.0160   77.700   17.146   0.0000   0.0000   77.700   17.146  ?   ?    24.590   3.0160 0.000000 3.016025 
1 1 1   10   46   19 o   26.091   3.2032   89.000   19.320   0.0000   0.0000   89.000   19.320  ?   ?    26.091   3.2032 0.000000 3.203162 
1 1 1   10   46   20 o   21.690   3.0745   61.700   15.306   0.0000   0.0000   61.700   15.306  ?   ?    21.690   3.0745 0.000000 3.074478 
1 1 1   10   46   21 o   9.9698   2.8260   13.200   6.9579   0.0000   0.0000   13.200   6.9579  ?   ?    9.9698   2.8260 0.000000 2.826005 
1 1 1   10   46   22 o   8.4020   2.6535   9.1000   5.8897   0.0000   0.0000   9.1000   5.8897  ?   ?    8.4020   2.6535 0.000000 2.653539 
1 1 1   10   46   23 o   29.203   3.5426  118.000   23.929   0.0000   0.0000  118.000   23.929  ?   ?    29.203   3.5426 0.000000 3.542603 
1 1 1   10   46   24 o   7.4255   2.8402   5.8000   6.9502   0.0000   0.0000   5.8000   6.9502  ?   ?    7.4255   2.8402 0.000000 2.840202 
1 1 1   10   46   25 o   8.6041   3.0026   9.5000   7.5010   0.0000   0.0000   9.5000   7.5010  ?   ?    8.6041   3.0026 0.000000 3.002598 
1 1 1   10   46   26 o   18.811   3.0301   48.200   13.002   0.0000   0.0000   48.200   13.002  ?   ?    18.811   3.0301 0.000000 3.030107 
1 1 1   10   46   27 o   11.966   3.1128   20.200   8.8790   0.0000   0.0000   20.200   8.8790  ?   ?    11.966   3.1128 0.000000 3.112765 
1 1 1   10   46   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   47   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   48   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   49   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   50   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   51   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   10   52    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    0    1 o   24.246   1.9478   70.751   10.986   70.751   10.986   70.751   10.986   24.246   1.9478   24.246   1.9478 0.000000 0.000000 
1 1 1   11    0    2 o   63.699   3.5825  483.808   53.497  483.808   53.497  483.808   53.497   63.699   3.5825   63.699   3.5825 0.000000 0.000000 
1 1 1   11    0    3 o  340.523   18.242 13965.45  1457.20 13965.45  1457.20 13965.45  1457.20  340.523   18.242  340.523   18.242 0.000000 0.000000 
1 1 1   11    0    4 o  153.706   8.2516  2820.27  297.525  2820.27  297.525  2820.27  297.525  153.706   8.2516  153.706   8.2516 0.000000 0.000000 
1 1 1   11    0    5 o  195.653   10.448  4576.72  479.577  4576.72  479.577  4576.72  479.577  195.653   10.448  195.653   10.448 0.000000 0.000000 
1 1 1   11    0    6 o  143.748   7.8041  2467.03  263.118  2467.03  263.118  2467.03  263.118  143.748   7.8041  143.748   7.8041 0.000000 0.000000 
1 1 1   11    0    7 o  106.320   5.8315  1348.53  145.400  1348.53  145.400  1348.53  145.400  106.320   5.8315  106.320   5.8315 0.000000 0.000000 
1 1 1   11    0    8 o  314.409   16.896 11919.54  1246.14 11919.54  1246.14 11919.54  1246.14  314.409   16.896  314.409   16.896 -0.000000 0.000000 
1 1 1   11    0    9 o  145.177   7.6512  2516.02  260.630  2516.02  260.630  2516.02  260.630  145.177   7.6512  145.177   7.6512 0.000000 0.000000 
1 1 1   11    0   10 o  115.585   6.2945  1594.59  170.637  1594.59  170.637  1594.59  170.637  115.585   6.2945  115.585   6.2945 -0.000000 0.000000 
1 1 1   11    0   11 o   26.808   2.0319   86.325   12.693   86.325   12.693   86.325   12.693   26.808   2.0319   26.808   2.0319 -0.000000 0.000000 
1 1 1   11    0   12 f  105.740   8.3325  1350.00  205.084  1350.00  205.084  1350.00  205.084  105.740   8.3325  105.740   8.3325 -0.000000 0.000000 
1 1 1   11    0   13 o  146.096   7.9255  2552.44  271.577  2552.44  271.577  2552.44  271.577  146.096   7.9255  146.096   7.9255 -0.000000 0.000000 
1 1 1   11    0   14 o   40.619   2.5309  197.149   24.060  197.149   24.060  197.149   24.060   40.619   2.5309   40.619   2.5309 -0.000000 0.000000 
1 1 1   11    0   15 o  187.962   10.212  4239.54  450.189  4239.54  450.189  4239.54  450.189  187.962   10.212  187.962   10.212 0.000000 0.000000 
1 1 1   11    0   16 f  285.606   15.333  9888.93  1027.30  9888.93  1027.30  9888.93  1027.30  285.606   15.333  285.606   15.333 -0.000000 0.000000 
1 1 1   11    0   17 o  160.870   8.7368  3101.40  329.651  3101.40  329.651  3101.40  329.651  160.870   8.7368  160.870   8.7368 -0.000000 0.000000 
1 1 1   11    0   18 o  168.330   9.1309  3398.49  360.503  3398.49  360.503  3398.49  360.503  168.330   9.1309  168.330   9.1309 -0.000000 0.000000 
1 1 1   11    0   19 o  159.340   8.6665  3043.92  323.881  3043.92  323.881  3043.92  323.881  159.340   8.6665  159.340   8.6665 -0.000000 0.000000 
1 1 1   11    0   20 o  315.524   25.496 12664.00  1871.10 12664.00  1871.10 12664.00  1871.10  315.524   25.496  315.524   25.496 -0.000000 0.000000 
1 1 1   11    0   21 o   65.286   5.4056  514.900   82.020  514.900   82.020  514.900   82.020   65.286   5.4056   65.286   5.4056 -0.000000 0.000000 
1 1 1   11    0   22 o   56.149   4.7703  381.100   62.199  381.100   62.199  381.100   62.199   56.149   4.7703   56.149   4.7703 -0.000000 0.000000 
1 1 1   11    0   23 f  187.219   14.727  4313.10  641.800  4313.10  641.800  4313.10  641.800  187.219   14.727  187.219   14.727 -0.000000 0.000000 
1 1 1   11    0   24 o  317.062   26.318 13130.60  1939.16 13130.60  1939.16 13130.60  1939.16  317.062   26.318  317.062   26.318 0.000000 0.000000 
1 1 1   11    0   25 f  154.786   12.202  2941.10  439.628  2941.10  439.628  2941.10  439.628  154.786   12.202  154.786   12.202 0.000000 0.000000 
1 1 1   11    0   26 o  127.992   10.121  2003.70  301.503  2003.70  301.503  2003.70  301.503  127.992   10.121  127.992   10.121 0.000000 0.000000 
1 1 1   11    0   27 o   28.963   3.1048  102.600   20.618  102.600   20.618  102.600   20.618   28.963   3.1048   28.963   3.1048 -0.000000 0.000000 
1 1 1   11    0   28 o   6.6898   2.7430   7.4000   4.2772   7.4000   4.2772   7.4000   4.2772   6.6898   2.7430   6.6898   2.7430 -0.000000 0.000000 
1 1 1   11    0   29 o   23.724   2.8837   69.500   15.518   69.500   15.518   69.500   15.518   23.724   2.8837   23.724   2.8837 -0.000000 0.000000 
1 1 1   11    0   30 o  119.924   9.6737  1787.10  269.842  1787.10  269.842  1787.10  269.842  119.924   9.6737  119.924   9.6737 -0.000000 0.000000 
1 1 1   11    0   31 o   85.628   6.9732  900.100  138.847  900.100  138.847  900.100  138.847   85.628   6.9732   85.628   6.9732 0.000000 0.000000 
1 1 1   11    0   32 o   58.284   4.9633  414.500   67.170  414.500   67.170  414.500   67.170   58.284   4.9633   58.284   4.9633 -0.000000 0.000000 
1 1 1   11    0   33 o   67.246   5.6154  554.000   87.738  554.000   87.738  554.000   87.738   67.246   5.6154   67.246   5.6154 -0.000000 0.000000 
1 1 1   11    0   34 o   64.198   5.4299  505.500   80.960  505.500   80.960  505.500   80.960   64.198   5.4299   64.198   5.4299 -0.000000 0.000000 
1 1 1   11    0   35 o   42.025   3.9182  216.000   38.106  216.000   38.106  216.000   38.106   42.025   3.9182   42.025   3.9182 -0.000000 0.000000 
1 1 1   11    0   36 o  121.723   10.270  1925.60  290.354  1925.60  290.354  1925.60  290.354  121.723   10.270  121.723   10.270 -0.000000 0.000000 
1 1 1   11    0   37 o   10.835   3.0173   16.800   6.6789   16.800   6.6789   16.800   6.6789   10.835   3.0173   10.835   3.0173 0.000000 0.000000 
1 1 1   11    0   38 o   58.515   5.0548  424.200   68.647  424.200   68.647  424.200   68.647   58.515   5.0548   58.515   5.0548 -0.000000 0.000000 
1 1 1   11    0   39 o   21.808   2.8441   59.500   13.957   59.500   13.957   59.500   13.957   21.808   2.8441   21.808   2.8441 -0.000000 0.000000 
1 1 1   11    0   40 o   42.130   3.9377  219.800   38.387  219.800   38.387  219.800   38.387   42.130   3.9377   42.130   3.9377 -0.000000 0.000000 
1 1 1   11    0   41 o   14.429   2.9275   27.700   8.8305   27.700   8.8305   27.700   8.8305   14.429   2.9275   14.429   2.9275 -0.000000 0.000000 
1 1 1   11    0   42 o   48.023   4.3675  288.600   48.586  288.600   48.586  288.600   48.586   48.023   4.3675   48.023   4.3675 0.000000 0.000000 
1 1 1   11    0   43 o   31.542   3.3320  123.900   24.183  123.900   24.183  123.900   24.183   31.542   3.3320   31.542   3.3320 -0.000000 0.000000 
1 1 1   11    0   44 o   37.993   3.7278  180.300   32.705  180.300   32.705  180.300   32.705   37.993   3.7278   37.993   3.7278 -0.000000 0.000000 
1 1 1   11    0   45 o   17.347   3.0796   39.400   11.429   39.400   11.429   39.400   11.429   17.347   3.0796   17.347   3.0796 -0.000000 0.000000 
1 1 1   11    0   46 o   3.9394   2.2821   2.3000   3.4603   2.3000   3.4603   2.3000   3.4603   3.9394   2.2821   3.9394   2.2821 -0.000000 0.000000 
1 1 1   11    0   47 o   21.228   2.9591   57.600   14.008   57.600   14.008   57.600   14.008   21.228   2.9591   21.228   2.9591 -0.000000 0.000000 
1 1 1   11    0   48 o   15.514   3.0012   32.200   9.8105   32.200   9.8105   32.200   9.8105   15.514   3.0012   15.514   3.0012 0.000000 0.000000 
1 1 1   11    0   49 f   28.374   3.2631  102.800   21.113  102.800   21.113  102.800   21.113   28.374   3.2631   28.374   3.2631 -0.000000 0.000000 
1 1 1   11    0   50 o   4.0119   2.5629   0.6000   5.4148   0.6000   5.4148   0.6000   5.4148   4.0119   2.5629   4.0119   2.5629 0.000000 0.000000 
1 1 1   11    0   51 o   17.413   2.9833   40.200   11.186   40.200   11.186   40.200   11.186   17.413   2.9833   17.413   2.9833 0.000000 0.000000 
1 1 1   11    0   52 o   23.247   3.1037   70.900   16.186   70.900   16.186   70.900   16.186   23.247   3.1037   23.247   3.1037 0.000000 0.000000 
1 1 1   11    0   53 o   5.1118   2.9911   4.3000   6.0374   4.3000   6.0374   4.3000   6.0374   5.1118   2.9911   5.1118   2.9911 0.000000 0.000000 
1 1 1   11    0   54 o   2.9015   1.9480  -1.2000   3.7649  -1.2000   3.7649  -1.2000   3.7649   2.9015   1.9480   2.9015   1.9480 -0.000000 0.000000 
1 1 1   11    0   55 o   8.0027   3.6295   12.500   7.4054   12.500   7.4054   12.500   7.4054   8.0027   3.6295   8.0027   3.6295 0.000000 0.000000 
1 1 1   11    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    1    0 o   57.094   4.8119  393.300   63.814  393.300   63.814  393.300   63.814   57.094   4.8119   57.094   4.8119 -0.000000 0.000000 
1 1 1   11    1    1 o  432.999   22.970 22979.90  2340.24 21645.50  3303.80 24323.70  3315.43  411.049   34.352  437.823   32.297 -26.77356 47.15038 
1 1 1   11    1    2 o   68.877   3.8234  562.408   61.940  606.100   87.639  518.800   87.554   71.391   5.2352   65.973   5.6754 5.417862 7.721263 
1 1 1   11    1    3 o  200.816   10.654  4812.50  503.423  4730.70  711.738  4894.40  712.158  197.971   15.345  201.461   15.079 -3.489746 21.51406 
1 1 1   11    1    4 o  324.282   17.406 12724.06  1327.97 12686.40  1878.18 12761.70  1877.89  319.696   25.081  320.703   24.995 -1.006744 35.40858 
1 1 1   11    1    5 o   93.669   5.0572  1040.95  111.443  968.500  157.546  1113.50  157.664   90.072   7.4748   96.688   6.9519 -6.616180 10.20792 
1 1 1   11    1    6 o  253.728   13.429  7731.23  801.715  7377.70  1133.45  8085.20  1134.14  245.465   19.721  257.447   18.786 -11.98213 27.23646 
1 1 1   11    1    7 o  340.441   18.320 14109.73  1467.32 15163.90  2075.22 13055.80  2074.98  348.208   25.414  321.370   27.611 26.83768 37.52658 
1 1 1   11    1    8 o  206.638   11.100  5111.48  539.641  5276.60  762.868  4946.10  763.468  208.586   15.601  201.716   16.164 6.870071 22.46502 
1 1 1   11    1    9 f   39.074   2.4901  181.100   22.856  180.900   32.319  181.300   32.327   38.958   3.5522   39.002   3.5489 -0.4385376E-01 5.021284 
1 1 1   11    1   10 o  227.586   11.766  6219.85  630.150  6955.40  891.928  5486.80  890.408  239.087   15.889  211.320   18.016 27.76695 24.02129 
1 1 1   11    1   11 o  217.812   11.758  5704.97  602.534  6300.70  851.990  5108.90  852.235  227.227   15.980  203.646   17.904 23.58076 23.99858 
1 1 1   11    1   12 o  115.873   6.3459  1597.80  172.975  1638.80  244.182  1556.50  245.068  116.915   8.9118  113.869   9.1926 3.046158 12.80324 
1 1 1   11    1   13 o   67.522   3.8275  541.061   60.776  576.800   85.938  505.300   85.964   69.571   5.2702   65.041   5.6534 4.530334 7.728900 
1 1 1   11    1   14 o  168.286   8.8501  3388.94  350.453  3978.90  495.724  2799.50  495.505  181.537   11.625  151.346   14.024 30.19101 18.21608 
1 1 1   11    1   15 o   46.638   2.7946  258.029   30.635  280.600   43.345  235.500   43.305   48.550   3.8115   44.409   4.1787 4.140636 5.655849 
1 1 1   11    1   16 o  154.035   8.3345  2839.89  302.026  2988.90  427.006  2690.70  427.254  157.058   11.596  148.744   12.274 8.314133 16.88504 
1 1 1   11    1   17 o  181.422   9.8213  3958.92  419.182  4126.00  592.607  3791.60  593.019  183.620   13.768  175.682   14.422 7.937546 19.93850 
1 1 1   11    1   18 o  176.243   9.5828  3735.66  397.311  4013.10  561.723  3457.90  562.042  181.227   13.217  167.656   14.334 13.57024 19.49806 
1 1 1   11    1   19 o   65.400   3.6989  507.827   56.889  501.300   80.313  514.400   80.595   64.786   5.2961   65.639   5.2435 -0.8534775 7.452740 
1 1 1   11    1   20 o   48.063   2.9025  274.158   32.787  304.400   46.363  243.900   46.374   50.554   3.9142   45.158   4.4051 5.396492 5.892849 
1 1 1   11    1   21 o  112.774   8.7710  1532.90  231.735  1532.90  231.735   0.0000   0.0000  112.774   8.7710  ?   ?  0.000000 8.771016 
1 1 1   11    1   22 o   63.788   5.1913  486.300   77.516  486.300   77.516   0.0000   0.0000   63.788   5.1913  ?   ?  0.000000 5.191282 
1 1 1   11    1   23 o  163.990   12.838  3311.10  493.178  3311.10  493.178   0.0000   0.0000  163.990   12.838  ?   ?  0.000000 12.83823 
1 1 1   11    1   24 o   53.089   4.4662  336.800   55.469  336.800   55.469   0.0000   0.0000   53.089   4.4662  ?   ?  0.000000 4.466186 
1 1 1   11    1   25 o  105.290   8.2585  1342.80  203.683  1342.80  203.683   0.0000   0.0000  105.290   8.2585  ?   ?  0.000000 8.258530 
1 1 1   11    1   26 o   30.514   3.0703  111.400   21.823  111.400   21.823   0.0000   0.0000   30.514   3.0703  ?   ?  0.000000 3.070333 
1 1 1   11    1   27 o  127.691   10.131  2018.30  302.979  2018.30  302.979   0.0000   0.0000  127.691   10.131  ?   ?  0.000000 10.13143 
1 1 1   11    1   28 o   75.375   6.0762  687.500  107.231  687.500  107.231   0.0000   0.0000   75.375   6.0762  ?   ?  0.000000 6.076221 
1 1 1   11    1   29 o   27.856   2.9342   93.100   19.010   93.100   19.010   0.0000   0.0000   27.856   2.9342  ?   ?  0.000000 2.934184 
1 1 1   11    1   30 o  116.228   9.4625  1708.10  257.451  1708.10  257.451   0.0000   0.0000  116.228   9.4625  ?   ?  0.000000 9.462537 
1 1 1   11    1   31 o   56.844   4.7840  391.500   63.617  391.500   63.617   0.0000   0.0000   56.844   4.7840  ?   ?  0.000000 4.783955 
1 1 1   11    1   32 o   60.721   5.0806  449.400   72.178  449.400   72.178   0.0000   0.0000   60.721   5.0806  ?   ?  0.000000 5.080592 
1 1 1   11    1   33 o   20.770   2.6059   52.100   12.499   52.100   12.499   0.0000   0.0000   20.770   2.6059  ?   ?  0.000000 2.605948 
1 1 1   11    1   34 o   47.610   4.1726  275.300   46.437  275.300   46.437   0.0000   0.0000   47.610   4.1726  ?   ?  0.000000 4.172626 
1 1 1   11    1   35 o   71.327   5.9529  633.300   99.348  633.300   99.348   0.0000   0.0000   71.327   5.9529  ?   ?  0.000000 5.952889 
1 1 1   11    1   36 o   36.726   3.4711  163.600   29.746  163.600   29.746   0.0000   0.0000   36.726   3.4711  ?   ?  0.000000 3.471122 
1 1 1   11    1   37 o   75.917   6.4390  735.300  114.341  735.300  114.341   0.0000   0.0000   75.917   6.4390  ?   ?  0.000000 6.438988 
1 1 1   11    1   38 o   23.473   2.7606   67.000   15.009   67.000   15.009   0.0000   0.0000   23.473   2.7606  ?   ?  0.000000 2.760628 
1 1 1   11    1   39 o   46.298   4.1710  266.600   45.111  266.600   45.111   0.0000   0.0000   46.298   4.1710  ?   ?  0.000000 4.171046 
1 1 1   11    1   40 o   15.070   2.4851   28.000   8.5351   28.000   8.5351   0.0000   0.0000   15.070   2.4851  ?   ?  0.000000 2.485134 
1 1 1   11    1   41 o   13.606   2.4981   23.000   7.7304   23.000   7.7304   0.0000   0.0000   13.606   2.4981  ?   ?  0.000000 2.498148 
1 1 1   11    1   42 o   33.647   3.3704  140.700   26.419  140.700   26.419   0.0000   0.0000   33.647   3.3704  ?   ?  0.000000 3.370403 
1 1 1   11    1   43 o   21.141   2.6728   55.100   13.045   55.100   13.045   0.0000   0.0000   21.141   2.6728  ?   ?  0.000000 2.672753 
1 1 1   11    1   44 o   14.475   2.5160   26.100   8.2878   26.100   8.2878   0.0000   0.0000   14.475   2.5160  ?   ?  0.000000 2.515994 
1 1 1   11    1   45 o   37.107   3.6586  174.700   31.640  174.700   31.640   0.0000   0.0000   37.107   3.6586  ?   ?  0.000000 3.658609 
1 1 1   11    1   46 o   7.0399   2.1913   6.0000   4.0321   6.0000   4.0321   0.0000   0.0000   7.0399   2.1913  ?   ?  0.000000 2.191347 
1 1 1   11    1   47 o   15.758   2.6533   31.400   9.5220   31.400   9.5220   0.0000   0.0000   15.758   2.6533  ?   ?  0.000000 2.653305 
1 1 1   11    1   48 o   10.997   2.4773   15.500   6.2786   15.500   6.2786   0.0000   0.0000   10.997   2.4773  ?   ?  0.000000 2.477306 
1 1 1   11    1   49 o   21.180   2.7769   57.200   13.554   57.200   13.554   0.0000   0.0000   21.180   2.7769  ?   ?  0.000000 2.776865 
1 1 1   11    1   50 o   6.1020   2.1556   4.1000   3.8737   4.1000   3.8737   0.0000   0.0000   6.1020   2.1556  ?   ?  0.000000 2.155631 
1 1 1   11    1   51 o   13.619   2.6710   24.200   8.2830   24.200   8.2830   0.0000   0.0000   13.619   2.6710  ?   ?  0.000000 2.671018 
1 1 1   11    1   52 o   29.354   3.4094  118.600   23.192  118.600   23.192   0.0000   0.0000   29.354   3.4094  ?   ?  0.000000 3.409410 
1 1 1   11    1   53 o   4.7892   1.9433   1.5000   3.4293   1.5000   3.4293   0.0000   0.0000   4.7892   1.9433  ?   ?  0.000000 1.943279 
1 1 1   11    1   54 o   15.426   2.8848   34.000   10.122   34.000   10.122   0.0000   0.0000   15.426   2.8848  ?   ?  0.000000 2.884838 
1 1 1   11    1   55 o   7.3210   2.5971   7.2000   5.6285   7.2000   5.6285   0.0000   0.0000   7.3210   2.5971  ?   ?  0.000000 2.597084 
1 1 1   11    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2    0 o  132.501   10.299  2117.50  317.755  2117.50  317.755  2117.50  317.755  132.501   10.299  132.501   10.299 -0.000000 0.000000 
1 1 1   11    2    1 o  113.391   6.1114  1526.35  163.034  1612.80  230.569  1439.90  230.561  116.288   8.4545  109.770   8.9733 6.517693 12.32877 
1 1 1   11    2    2 o  103.476   5.6090  1270.65  136.541  1321.40  193.098  1219.90  193.098  105.280   7.8232  101.088   8.1589 4.191795 11.30350 
1 1 1   11    2    3 o  122.804   6.5664  1791.11  189.725  1726.50  268.237  1855.80  268.388  120.165   9.5314  124.664   9.1818 -4.498779 13.23452 
1 1 1   11    2    4 o  148.400   7.9072  2619.52  276.090  2797.60  390.479  2441.50  390.421  152.883   10.887  142.615   11.696 10.26881 15.97924 
1 1 1   11    2    5 o  232.946   12.171  6497.31  667.177  6065.70  943.055  6929.80  944.007  223.190   18.048  239.109   16.827 -15.91875 24.67528 
1 1 1   11    2    6 o  255.250   13.650  7829.98  819.725  8140.10  1159.20  7519.80  1159.33  258.107   19.156  247.654   19.995 10.45351 27.69026 
1 1 1   11    2    7 o  210.679   11.251  5312.03  557.676  5572.80  788.632  5051.20  788.715  214.466   15.681  203.838   16.528 10.62746 22.78333 
1 1 1   11    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    2    9 o   80.369   4.4610  766.463   84.328  757.500  119.344  775.400  119.171   79.685   6.3964   80.639   6.3087 -0.9532700 8.984101 
1 1 1   11    2   10 o  143.398   7.6887  2449.95  259.401  2397.60  366.839  2502.30  366.859  141.164   11.094  144.290   10.847 -3.125641 15.51554 
1 1 1   11    2   11 o  156.759   8.4723  2933.56  312.449  3080.50  441.703  2786.40  442.035  159.843   11.786  151.798   12.441 8.044876 17.13711 
1 1 1   11    2   12 o  147.481   8.2344  2597.51  285.621  2852.60  403.408  2341.10  404.452  153.861   11.180  138.956   12.458 14.90469 16.73917 
1 1 1   11    2   13 o   91.293   5.0319  990.283  108.056  1076.50  152.786  904.000  152.844   94.949   6.8606   86.859   7.5263 8.089775 10.18400 
1 1 1   11    2   14 o  203.312   11.045  4977.07  528.297  5235.30  746.800  4718.40  747.449  206.671   15.413  195.712   16.322 10.95816 22.44973 
1 1 1   11    2   15 o  160.715   8.6945  3092.45  328.736  3360.50  464.813  2824.20  464.992  166.574   11.895  152.232   13.062 14.34154 17.66659 
1 1 1   11    2   16 o  164.276   8.9105  3235.19  344.358  3481.70  486.862  2988.40  487.130  169.320   12.260  156.406   13.316 12.91341 18.10051 
1 1 1   11    2   17 o  211.967   11.542  5437.00  575.553  5957.30  813.797  4916.30  814.112  219.624   15.797  198.386   17.560 21.23788 23.62003 
1 1 1   11    2   18 o  250.358   13.707  7659.96  807.255  7950.10  1141.21  7369.40  1142.05  250.877   19.415  240.792   20.274 10.08514 28.07102 
1 1 1   11    2   19 o  191.509   10.482  4427.44  472.241  4565.80  666.904  4288.30  668.799  192.430   14.790  186.155   15.351 6.275269 21.31689 
1 1 1   11    2   20 o  240.805   13.219  7085.65  748.780  7740.90  1058.73  6429.90  1059.14  248.054   18.202  224.380   20.207 23.67410 27.19594 
1 1 1   11    2   21 o   29.519   2.0128  103.438   13.946  114.600   19.779   92.400   19.668   31.013   2.7286   27.784   3.0479 3.229046 4.090813 
1 1 1   11    2   22 o  159.775   12.470  3130.80  466.736  3130.80  466.736   0.0000   0.0000  159.775   12.470  ?   ?  0.000000 12.46961 
1 1 1   11    2   23 o   92.299   7.2481  1023.90  156.704  1023.90  156.704   0.0000   0.0000   92.299   7.2481  ?   ?  0.000000 7.248131 
1 1 1   11    2   24 o  101.898   7.9832  1253.30  190.555  1253.30  190.555   0.0000   0.0000  101.898   7.9832  ?   ?  0.000000 7.983217 
1 1 1   11    2   25 f   86.341   6.8319  897.700  138.154  897.700  138.154   0.0000   0.0000   86.341   6.8319  ?   ?  0.000000 6.831933 
1 1 1   11    2   26 o  111.196   8.7526  1507.80  227.961  1507.80  227.961   0.0000   0.0000  111.196   8.7526  ?   ?  0.000000 8.752573 
1 1 1   11    2   27 o   85.834   6.8338  892.200  137.362  892.200  137.362   0.0000   0.0000   85.834   6.8338  ?   ?  0.000000 6.833753 
1 1 1   11    2   28 o  141.365   11.430  2530.30  378.290  2530.30  378.290   0.0000   0.0000  141.365   11.430  ?   ?  0.000000 11.43015 
1 1 1   11    2   29 o   56.048   4.7041  378.500   61.683  378.500   61.683   0.0000   0.0000   56.048   4.7041  ?   ?  0.000000 4.704100 
1 1 1   11    2   30 o  120.010   9.8002  1830.00  275.299  1830.00  275.299   0.0000   0.0000  120.010   9.8002  ?   ?  0.000000 9.800155 
1 1 1   11    2   31 o   36.530   3.4302  160.500   29.242  160.500   29.242   0.0000   0.0000   36.530   3.4302  ?   ?  0.000000 3.430184 
1 1 1   11    2   32 o   16.668   2.4629   33.700   9.4015   33.700   9.4015   0.0000   0.0000   16.668   2.4629  ?   ?  0.000000 2.462866 
1 1 1   11    2   33 o   60.305   5.0602  444.400   71.392  444.400   71.392   0.0000   0.0000   60.305   5.0602  ?   ?  0.000000 5.060195 
1 1 1   11    2   34 o   11.895   2.3519   17.400   6.3719   17.400   6.3719   0.0000   0.0000   11.895   2.3519  ?   ?  0.000000 2.351935 
1 1 1   11    2   35 o   55.752   4.7590  380.800   62.053  380.800   62.053   0.0000   0.0000   55.752   4.7590  ?   ?  0.000000 4.759043 
1 1 1   11    2   36 o   68.958   5.8079  594.600   93.691  594.600   93.691   0.0000   0.0000   68.958   5.8079  ?   ?  0.000000 5.807887 
1 1 1   11    2   37 o   67.383   5.7284  571.400   90.283  571.400   90.283   0.0000   0.0000   67.383   5.7284  ?   ?  0.000000 5.728411 
1 1 1   11    2   38 o   54.853   4.7831  375.600   61.335  375.600   61.335   0.0000   0.0000   54.853   4.7831  ?   ?  0.000000 4.783139 
1 1 1   11    2   39 o   67.208   5.8794  585.900   92.368  585.900   92.368   0.0000   0.0000   67.208   5.8794  ?   ?  0.000000 5.879388 
1 1 1   11    2   40 o   20.981   2.6636   53.900   12.899   53.900   12.899   0.0000   0.0000   20.981   2.6636  ?   ?  0.000000 2.663563 
1 1 1   11    2   41 o   60.827   5.4624  485.700   77.623  485.700   77.623   0.0000   0.0000   60.827   5.4624  ?   ?  0.000000 5.462400 
1 1 1   11    2   42 f   29.045   3.0935  104.300   20.890  104.300   20.890   0.0000   0.0000   29.045   3.0935  ?   ?  0.000000 3.093470 
1 1 1   11    2   43 o   40.580   3.8622  207.900   36.563  207.900   36.563   0.0000   0.0000   40.580   3.8622  ?   ?  0.000000 3.862218 
1 1 1   11    2   44 f   28.767   3.0813  102.800   20.606  102.800   20.606   0.0000   0.0000   28.767   3.0813  ?   ?  0.000000 3.081307 
1 1 1   11    2   45 o   20.756   2.7034   53.500   12.936   53.500   12.936   0.0000   0.0000   20.756   2.7034  ?   ?  0.000000 2.703417 
1 1 1   11    2   46 o   14.701   2.5022   27.100   8.3750   27.100   8.3750   0.0000   0.0000   14.701   2.5022  ?   ?  0.000000 2.502223 
1 1 1   11    2   47 o   23.429   2.8688   69.200   15.540   69.200   15.540   0.0000   0.0000   23.429   2.8688  ?   ?  0.000000 2.868824 
1 1 1   11    2   48 o   29.838   3.2744  114.900   22.692  114.900   22.692   0.0000   0.0000   29.838   3.2744  ?   ?  0.000000 3.274389 
1 1 1   11    2   49 o   23.624   2.9189   71.500   15.936   71.500   15.936   0.0000   0.0000   23.624   2.9189  ?   ?  0.000000 2.918889 
1 1 1   11    2   50 o   9.3163   2.4212   11.200   5.3753   11.200   5.3753   0.0000   0.0000   9.3163   2.4212  ?   ?  0.000000 2.421207 
1 1 1   11    2   51 f   9.0695   2.6368   10.700   5.9848   10.700   5.9848   0.0000   0.0000   9.0695   2.6368  ?   ?  0.000000 2.636752 
1 1 1   11    2   52 o   26.927   3.2544   98.800   20.273   98.800   20.273   0.0000   0.0000   26.927   3.2544  ?   ?  0.000000 3.254444 
1 1 1   11    2   53 o   10.812   2.7175   16.200   6.9303   16.200   6.9303   0.0000   0.0000   10.812   2.7175  ?   ?  0.000000 2.717514 
1 1 1   11    2   54 o   6.4247   2.2193   5.2000   4.0929   5.2000   4.0929   0.0000   0.0000   6.4247   2.2193  ?   ?  0.000000 2.219313 
1 1 1   11    2   55 o   8.1331   2.6015   9.4000   5.6472   9.4000   5.6472   0.0000   0.0000   8.1331   2.6015  ?   ?  0.000000 2.601523 
1 1 1   11    2   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    3    0 o   61.812   5.1382  460.800   73.806  460.800   73.806  460.800   73.806   61.812   5.1382   61.812   5.1382 -0.000000 0.000000 
1 1 1   11    3    1 o  150.861   8.0567  2707.05  285.972  2639.40  404.418  2774.70  404.433  148.364   11.637  152.201   11.334 -3.836700 16.24443 
1 1 1   11    3    2 o  143.201   7.6354  2438.12  257.258  2559.90  363.866  2316.40  363.771  146.282   10.606  139.010   11.177 7.272446 15.40778 
1 1 1   11    3    3 o  155.380   8.1861  2872.43  299.295  2655.00  423.098  3090.20  423.435  148.669   12.158  160.654   11.232 -11.98483 16.55275 
1 1 1   11    3    4 o  174.783   9.2698  3640.49  381.219  3438.10  539.038  3843.00  539.212  168.927   13.629  178.846   12.854 -9.919144 18.73420 
1 1 1   11    3    5 o  245.645   12.609  7232.37  728.911  6240.00  1030.25  8227.00  1031.42  225.743   19.519  260.544   16.855 -34.80130 25.78921 
1 1 1   11    3    6 o  235.353   12.571  6643.88  696.085  7100.00  984.386  6187.70  984.440  241.636   17.368  224.973   18.700 16.66307 25.52157 
1 1 1   11    3    7 o  261.710   13.811  8243.80  850.494  7779.90  1202.33  8708.40  1203.23  251.392   20.431  266.659   19.238 -15.26680 28.06262 
1 1 1   11    3    8 f  265.239   14.202  8485.24  886.288  8453.10  1253.16  8517.40  1253.64  261.822   20.431  262.860   20.356 -1.037842 28.84064 
1 1 1   11    3    9 o  345.963   17.760 14613.17  1446.02 16404.30  2047.17 12829.70  2042.79  361.684   24.108  316.846   27.578 44.83780 36.62992 
1 1 1   11    3   10 o  337.094   18.055 13925.41  1431.97 14598.20  2026.53 13254.50  2023.69  339.128   25.493  321.834   26.874 17.29379 37.04214 
1 1 1   11    3   11 o  105.691   5.7024  1327.73  141.791  1280.00  200.475  1375.50  200.571  103.383   8.2815  107.247   7.9770 -3.863937 11.49855 
1 1 1   11    3   12 o  155.384   8.4305  2884.41  308.171  3178.20  435.704  2590.30  435.936  162.352   11.438  146.104   12.764 16.24864 17.13902 
1 1 1   11    3   13 o  157.985   8.3318  2982.17  309.727  2842.60  437.657  3122.20  438.385  153.196   12.199  160.779   11.625 -7.582443 16.85147 
1 1 1   11    3   14 o   34.037   2.2869  137.505   18.274  148.100   25.838  126.900   25.849   35.254   3.1365   32.581   3.4104 2.673176 4.633444 
1 1 1   11    3   15 o  232.802   12.748  6572.91  698.110  7234.60  987.009  5910.50  987.544  241.558   17.421  216.923   19.487 24.63448 26.13853 
1 1 1   11    3   16 o  135.066   7.3511  2178.61  233.574  2428.10  330.253  1928.90  330.393  141.974   9.9131  126.098   11.213 15.87578 14.96654 
1 1 1   11    3   17 o  193.380   10.520  4509.09  478.577  4799.40  676.590  4218.40  677.031  197.660   14.599  184.701   15.671 12.95848 21.41761 
1 1 1   11    3   18 o  126.318   6.8252  1904.46  202.827  1976.20  286.815  1832.70  286.867  128.030   9.5558  123.161   9.9488 4.869690 13.79464 
1 1 1   11    3   19 o  143.576   7.8778  2468.04  266.065  2556.00  375.662  2379.50  376.886  145.166   11.042  139.874   11.513 5.292191 15.95208 
1 1 1   11    3   20 o  111.112   6.0834  1471.96  159.006  1586.70  224.805  1357.10  224.932  114.895   8.3429  106.034   9.0708 8.860886 12.32407 
1 1 1   11    3   21 o  126.512   6.8328  1912.60  203.368  2120.40  287.606  1704.80  287.606  132.587   9.2440  118.478   10.385 14.10895 13.90312 
1 1 1   11    3   22 o  101.741   5.5499  1233.81  132.832  1340.00  187.849  1127.60  187.858  105.623   7.5820   96.673   8.3101 8.950073 11.24919 
1 1 1   11    3   23 o   21.703   1.8440   56.060   9.3611   51.900   13.254   60.200   13.223   20.765   2.7723   22.420   2.5426 -1.655537 3.761749 
1 1 1   11    3   24 o   33.526   3.2343  134.300   25.288  134.300   25.288   0.0000   0.0000   33.526   3.2343  ?   ?  0.000000 3.234317 
1 1 1   11    3   25 o  128.673   10.092  2026.10  304.194  2026.10  304.194   0.0000   0.0000  128.673   10.092  ?   ?  0.000000 10.09246 
1 1 1   11    3   26 o  166.939   13.406  3521.40  524.024  3521.40  524.024   0.0000   0.0000  166.939   13.406  ?   ?  0.000000 13.40632 
1 1 1   11    3   27 o   84.530   6.7367  865.100  133.352  865.100  133.352   0.0000   0.0000   84.530   6.7367  ?   ?  0.000000 6.736719 
1 1 1   11    3   28 o   36.941   3.4465  163.500   29.717  163.500   29.717   0.0000   0.0000   36.941   3.4465  ?   ?  0.000000 3.446480 
1 1 1   11    3   29 o   80.560   6.4968  791.200  122.538  791.200  122.538   0.0000   0.0000   80.560   6.4968  ?   ?  0.000000 6.496752 
1 1 1   11    3   30 o   78.040   6.3306  744.900  115.656  744.900  115.656   0.0000   0.0000   78.040   6.3306  ?   ?  0.000000 6.330649 
1 1 1   11    3   31 o   69.464   5.7063  589.400   92.774  589.400   92.774   0.0000   0.0000   69.464   5.7063  ?   ?  0.000000 5.706330 
1 1 1   11    3   32 o   75.676   6.2165  706.700  110.106  706.700  110.106   0.0000   0.0000   75.676   6.2165  ?   ?  0.000000 6.216545 
1 1 1   11    3   33 o   39.142   3.6056  185.000   32.951  185.000   32.951   0.0000   0.0000   39.142   3.6056  ?   ?  0.000000 3.605613 
1 1 1   11    3   34 o   43.290   3.8840  227.100   39.281  227.100   39.281   0.0000   0.0000   43.290   3.8840  ?   ?  0.000000 3.883958 
1 1 1   11    3   35 o   49.780   4.3324  302.200   50.419  302.200   50.419   0.0000   0.0000   49.780   4.3324  ?   ?  0.000000 4.332374 
1 1 1   11    3   36 o   32.484   3.2171  127.800   24.353  127.800   24.353   0.0000   0.0000   32.484   3.2171  ?   ?  0.000000 3.217097 
1 1 1   11    3   37 o   50.424   4.4147  313.100   52.036  313.100   52.036   0.0000   0.0000   50.424   4.4147  ?   ?  0.000000 4.414716 
1 1 1   11    3   38 o   34.962   3.3881  149.300   27.620  149.300   27.620   0.0000   0.0000   34.962   3.3881  ?   ?  0.000000 3.388083 
1 1 1   11    3   39 o   30.106   3.1116  110.900   21.802  110.900   21.802   0.0000   0.0000   30.106   3.1116  ?   ?  0.000000 3.111605 
1 1 1   11    3   40 o   52.854   4.7278  355.100   58.383  355.100   58.383   0.0000   0.0000   52.854   4.7278  ?   ?  0.000000 4.727787 
1 1 1   11    3   41 o   33.962   3.3736  142.900   26.697  142.900   26.697   0.0000   0.0000   33.962   3.3736  ?   ?  0.000000 3.373621 
1 1 1   11    3   42 o   17.565   2.5872   38.100   10.410   38.100   10.410   0.0000   0.0000   17.565   2.5872  ?   ?  0.000000 2.587175 
1 1 1   11    3   43 o   11.078   2.4387   15.400   6.2067   15.400   6.2067   0.0000   0.0000   11.078   2.4387  ?   ?  0.000000 2.438657 
1 1 1   11    3   44 o   36.090   3.5462  163.600   29.831  163.600   29.831   0.0000   0.0000   36.090   3.5462  ?   ?  0.000000 3.546173 
1 1 1   11    3   45 o   16.331   2.5399   33.200   9.4766   33.200   9.4766   0.0000   0.0000   16.331   2.5399  ?   ?  0.000000 2.539920 
1 1 1   11    3   46 f   20.820   2.7753   54.300   13.305   54.300   13.305   0.0000   0.0000   20.820   2.7753  ?   ?  0.000000 2.775286 
1 1 1   11    3   47 o   11.290   2.4355   16.200   6.3021   16.200   6.3021   0.0000   0.0000   11.290   2.4355  ?   ?  0.000000 2.435496 
1 1 1   11    3   48 o   18.027   2.6598   41.200   10.982   41.200   10.982   0.0000   0.0000   18.027   2.6598  ?   ?  0.000000 2.659799 
1 1 1   11    3   49 o   13.825   2.6549   24.600   8.3521   24.600   8.3521   0.0000   0.0000   13.825   2.6549  ?   ?  0.000000 2.654891 
1 1 1   11    3   50 o   24.846   3.0092   79.900   17.295   79.900   17.295   0.0000   0.0000   24.846   3.0092  ?   ?  0.000000 3.009164 
1 1 1   11    3   51 o   10.023   2.4586   13.100   5.7749   13.100   5.7749   0.0000   0.0000   10.023   2.4586  ?   ?  0.000000 2.458626 
1 1 1   11    3   52 o   13.734   2.6232   25.000   8.1969   25.000   8.1969   0.0000   0.0000   13.734   2.6232  ?   ?  0.000000 2.623229 
1 1 1   11    3   53 o   19.678   2.9254   53.500   13.179   53.500   13.179   0.0000   0.0000   19.678   2.9254  ?   ?  0.000000 2.925357 
1 1 1   11    3   54 o   10.528   2.6921   15.800   6.7190   15.800   6.7190   0.0000   0.0000   10.528   2.6921  ?   ?  0.000000 2.692127 
1 1 1   11    3   55 o   11.211   3.0511   19.200   8.2931   19.200   8.2931   0.0000   0.0000   11.211   3.0511  ?   ?  0.000000 3.051077 
1 1 1   11    3   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    4    0 o  245.179   18.952  7314.60  1082.16  7314.60  1082.16  7314.60  1082.16  245.179   18.952  245.179   18.952 0.000000 0.000000 
1 1 1   11    4    1 o  201.545   10.730  4849.95  508.801  4814.10  719.527  4885.80  719.580  199.633   15.382  201.157   15.263 -1.524353 21.66920 
1 1 1   11    4    2 o  159.751   8.4763  3037.72  318.606  2872.80  450.466  3202.80  450.688  154.611   12.444  163.450   11.755 -8.838959 17.11837 
1 1 1   11    4    3 o  193.191   9.9802  4451.77  453.737  3824.70  641.383  5080.00  641.980  177.738   15.435  205.630   13.292 -27.89241 20.36980 
1 1 1   11    4    4 o  157.974   8.4348  2971.30  313.507  2973.40  443.355  2969.20  443.376  157.356   12.023  157.242   12.032 0.1137238 17.00955 
1 1 1   11    4    5 o  168.777   8.9922  3394.93  357.085  3462.80  505.056  3327.10  504.935  169.683   12.697  166.242   12.965 3.440323 18.14683 
1 1 1   11    4    6 o  150.653   7.8933  2701.31  279.824  2956.20  395.914  2446.90  395.547  157.102   10.737  142.627   11.852 14.47472 15.99189 
1 1 1   11    4    7 f  118.036   6.3530  1655.74  176.422  1705.00  249.520  1606.50  249.478  119.416   8.9129  115.848   9.1953 3.567627 12.80600 
1 1 1   11    4    8 o  138.294   7.2197  2275.53  234.952  2494.10  332.478  2057.50  332.067  144.349   9.8124  130.835   10.846 13.51387 14.62605 
1 1 1   11    4    9 o  225.629   12.100  6118.56  642.325  6059.80  908.807  6177.20  907.964  222.449   17.441  224.695   17.244 -2.246124 24.52642 
1 1 1   11    4   10 o   48.856   2.9298  283.102   33.644  281.400   47.606  284.800   47.555   48.593   4.1898   48.891   4.1586 -0.2978477 5.903235 
1 1 1   11    4   11 o  142.409   7.6415  2418.05  256.030  2558.40  362.083  2277.70  362.080  145.856   10.585  137.412   11.258 8.444183 15.45232 
1 1 1   11    4   12 o   54.747   3.2023  355.550   41.219  342.400   58.292  368.700   58.292   53.577   4.6538   55.632   4.4752 -2.054901 6.456386 
1 1 1   11    4   13 o  356.528   19.722 15836.33  1653.93 16383.20  2338.83 15289.30  2339.18  353.138   28.285  339.661   29.456 13.47662 40.83745 
1 1 1   11    4   14 o  129.150   6.7283  1987.28  204.483  2284.10  289.315  1691.00  289.050  138.032   8.9240  118.321   10.453 19.71049 13.74416 
1 1 1   11    4   15 o  108.999   5.9634  1414.51  152.907  1549.20  216.194  1279.70  216.293  113.699   8.1054  103.101   8.9737 10.59849 12.09237 
1 1 1   11    4   16 o   33.315   2.2429  131.744   17.542  143.500   24.816  120.000   24.802   34.702   3.0596   31.674   3.3677 3.028532 4.550043 
1 1 1   11    4   17 o  103.160   5.6446  1266.89  136.980  1371.70  193.684  1162.00  193.756  106.985   7.7185   98.275   8.4310 8.710106 11.43052 
1 1 1   11    4   18 o   82.056   4.7143  800.644   90.963  916.200  128.505  684.600  128.777   87.575   6.2553   75.452   7.3198 12.12268 9.628501 
1 1 1   11    4   19 o  172.831   9.6915  3596.99  393.930  3988.40  556.507  3203.90  557.696  180.578   13.141  160.972   14.839 19.60551 19.82129 
1 1 1   11    4   20 o   69.486   3.9668  573.597   64.817  621.700   91.620  525.400   91.710   72.166   5.4160   66.230   5.9267 5.935417 8.028584 
1 1 1   11    4   21 o  189.439   10.308  4339.50  459.374  4532.70  649.408  4146.00  649.897  191.472   14.470  182.653   15.206 8.819336 20.99066 
1 1 1   11    4   22 o  132.896   7.1684  2114.24  224.124  2311.10  316.969  1917.40  316.950  138.168   9.7782  125.439   10.806 12.72931 14.57322 
1 1 1   11    4   23 o   67.337   3.7497  538.797   59.387  603.500   84.020  474.200   83.951   71.106   5.0366   62.878   5.7166 8.227604 7.618807 
1 1 1   11    4   24 o   40.691   2.5479  196.591   24.358  202.900   34.473  190.300   34.423   41.231   3.5761   39.906   3.6950 1.325428 5.142118 
1 1 1   11    4   25 o  119.119   6.4902  1702.01  181.871  1707.40  256.932  1696.60  257.477  118.356   9.2672  117.958   9.3197 0.3978729 13.14296 
1 1 1   11    4   26 o   41.257   3.7072  203.600   35.731  203.600   35.731   0.0000   0.0000   41.257   3.7072  ?   ?  0.000000 3.707225 
1 1 1   11    4   27 o   56.364   4.7074  381.300   62.080  381.300   62.080   0.0000   0.0000   56.364   4.7074  ?   ?  0.000000 4.707428 
1 1 1   11    4   28 o  108.090   8.6356  1442.20  218.573  1442.20  218.573   0.0000   0.0000  108.090   8.6356  ?   ?  0.000000 8.635562 
1 1 1   11    4   29 o   96.310   7.7406  1143.60  174.550  1143.60  174.550   0.0000   0.0000   96.310   7.7406  ?   ?  0.000000 7.740556 
1 1 1   11    4   30 f   27.567   2.9261   91.300   18.756   91.300   18.756   0.0000   0.0000   27.567   2.9261  ?   ?  0.000000 2.926065 
1 1 1   11    4   31 o   78.643   6.4226  761.300  118.229  761.300  118.229   0.0000   0.0000   78.643   6.4226  ?   ?  0.000000 6.422607 
1 1 1   11    4   32 o   92.377   7.5884  1072.60  164.069  1072.60  164.069   0.0000   0.0000   92.377   7.5884  ?   ?  0.000000 7.588439 
1 1 1   11    4   33 o   47.446   4.1519  272.900   46.049  272.900   46.049   0.0000   0.0000   47.446   4.1519  ?   ?  0.000000 4.151903 
1 1 1   11    4   34 o   73.326   6.0876  668.200  104.454  668.200  104.454   0.0000   0.0000   73.326   6.0876  ?   ?  0.000000 6.087648 
1 1 1   11    4   35 o   22.387   2.6921   60.600   13.946   60.600   13.946   0.0000   0.0000   22.387   2.6921  ?   ?  0.000000 2.692127 
1 1 1   11    4   36 o   1.1056   0.5581  -2.3000   0.6920  -2.3000   0.6920   0.0000   0.0000   1.1056   0.5581  ?   ?  0.000000 0.5581192 
1 1 1   11    4   37 f   6.5467   2.1436   4.9000   3.8204   4.9000   3.8204   0.0000   0.0000   6.5467   2.1436  ?   ?  0.000000 2.143566 
1 1 1   11    4   38 o   29.138   3.0412  103.400   20.617  103.400   20.617   0.0000   0.0000   29.138   3.0412  ?   ?  0.000000 3.041213 
1 1 1   11    4   39 o   51.776   4.6095  337.300   55.767  337.300   55.767   0.0000   0.0000   51.776   4.6095  ?   ?  0.000000 4.609473 
1 1 1   11    4   40 o   29.307   3.0829  105.500   21.015  105.500   21.015   0.0000   0.0000   29.307   3.0829  ?   ?  0.000000 3.082869 
1 1 1   11    4   41 o   8.4136   2.2652   8.8000   4.6003   8.8000   4.6003   0.0000   0.0000   8.4136   2.2652  ?   ?  0.000000 2.265181 
1 1 1   11    4   42 o   39.852   3.7884  199.400   35.222  199.400   35.222   0.0000   0.0000   39.852   3.7884  ?   ?  0.000000 3.788360 
1 1 1   11    4   43 o   12.389   2.4776   19.200   6.9949   19.200   6.9949   0.0000   0.0000   12.389   2.4776  ?   ?  0.000000 2.477633 
1 1 1   11    4   44 o   38.374   3.7058  185.800   33.162  185.800   33.162   0.0000   0.0000   38.374   3.7058  ?   ?  0.000000 3.705774 
1 1 1   11    4   45 o   10.898   2.4659   15.000   6.1973   15.000   6.1973   0.0000   0.0000   10.898   2.4659  ?   ?  0.000000 2.465878 
1 1 1   11    4   46 o   19.594   2.6700   48.000   12.032   48.000   12.032   0.0000   0.0000   19.594   2.6700  ?   ?  0.000000 2.669999 
1 1 1   11    4   47 o   34.773   3.5542  156.200   28.774  156.200   28.774   0.0000   0.0000   34.773   3.5542  ?   ?  0.000000 3.554178 
1 1 1   11    4   48 o   18.915   2.6550   45.300   11.532   45.300   11.532   0.0000   0.0000   18.915   2.6550  ?   ?  0.000000 2.655014 
1 1 1   11    4   49 o   25.819   3.0127   85.700   18.023   85.700   18.023   0.0000   0.0000   25.819   3.0127  ?   ?  0.000000 3.012712 
1 1 1   11    4   50 o   16.736   2.6808   36.000   10.237   36.000   10.237   0.0000   0.0000   16.736   2.6808  ?   ?  0.000000 2.680798 
1 1 1   11    4   51 o   19.395   2.8147   49.000   12.514   49.000   12.514   0.0000   0.0000   19.395   2.8147  ?   ?  0.000000 2.814744 
1 1 1   11    4   52 o   12.037   2.5803   19.300   7.1136   19.300   7.1136   0.0000   0.0000   12.037   2.5803  ?   ?  0.000000 2.580282 
1 1 1   11    4   53 o   7.9698   2.4249   8.5000   4.9709   8.5000   4.9709   0.0000   0.0000   7.9698   2.4249  ?   ?  0.000000 2.424856 
1 1 1   11    4   54 o   2.7742   1.3029  -2.1000   2.1712  -2.1000   2.1712   0.0000   0.0000   2.7742   1.3029  ?   ?  0.000000 1.302879 
1 1 1   11    4   55 o   11.548   2.9301   20.000   8.0030   20.000   8.0030   0.0000   0.0000   11.548   2.9301  ?   ?  0.000000 2.930140 
1 1 1   11    4   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    5    0 o  328.177   25.693 13261.60  1962.96 13261.60  1962.96 13261.60  1962.96  328.177   25.693  328.177   25.693 0.000000 0.000000 
1 1 1   11    5    1 o  188.648   10.051  4246.30  446.126  4293.50  630.926  4199.10  630.908  188.707   14.264  186.562   14.434 2.144989 20.29269 
1 1 1   11    5    2 o   34.165   2.1972  138.439   17.632  119.900   24.895  157.100   24.977   31.673   3.3807   36.347   2.9352 -4.673306 4.477111 
1 1 1   11    5    3 o  242.030   12.879  7026.88  733.430  6789.20  1037.08  7264.70  1037.37  235.812   18.780  244.251   18.115 -8.438797 26.09315 
1 1 1   11    5    4 o   82.830   4.5630  813.892   88.905  827.100  125.767  800.700  125.694   83.308   6.4433   81.947   6.5503 1.361374 9.188171 
1 1 1   11    5    5 o  174.474   9.3087  3630.85  382.127  3637.30  540.402  3624.40  540.417  173.729   13.273  173.413   13.299 0.3161316 18.78924 
1 1 1   11    5    6 o   88.607   4.7039  931.425   98.069  1027.80  138.817  835.400  138.564   92.917   6.3651   83.634   7.0828 9.283821 9.522685 
1 1 1   11    5    7 f  281.803   15.065  9602.35  998.870  9040.80  1412.43 10164.20  1412.80  269.619   22.387  286.823   21.006 -17.20459 30.69896 
1 1 1   11    5    8 o  326.440   17.814 13018.01  1368.02 12202.20  1935.10 13833.10  1934.23  309.638   26.728  331.343   24.903 -21.70547 36.53157 
1 1 1   11    5    9 o  196.927   10.309  4643.35  477.727  4933.50  676.191  4354.20  675.026  201.734   14.287  189.117   15.245 12.61743 20.89349 
1 1 1   11    5   10 o  253.770   13.607  7786.98  812.395  7427.20  1148.80  8146.90  1149.00  244.468   20.078  256.707   19.092 -12.23833 27.70553 
1 1 1   11    5   11 o  129.297   6.9841  1991.44  212.444  2105.40  300.389  1877.40  300.493  132.430   9.6728  124.877   10.282 7.552910 14.11657 
1 1 1   11    5   12 o  104.082   5.6194  1288.02  137.599  1359.90  194.633  1216.20  194.555  106.621   7.7843  100.716   8.2530 5.905418 11.34496 
1 1 1   11    5   13 o  135.350   7.1822  2184.32  228.730  2362.80  323.586  2006.10  323.360  140.203   9.8362  128.910   10.720 11.29286 14.54883 
1 1 1   11    5   14 o  211.589   10.723  5387.36  534.001  6258.10  755.774  4519.30  754.610  226.520   14.201  191.062   16.900 35.45831 22.07458 
1 1 1   11    5   15 o  161.856   8.6861  3137.95  330.770  3170.60  467.786  3105.30  467.772  161.530   12.358  159.799   12.496 1.731201 17.57445 
1 1 1   11    5   16 o  155.776   7.9865  2902.07  292.791  3484.20  414.328  2321.40  413.810  170.007   10.370  137.830   12.863 32.17706 16.52279 
1 1 1   11    5   17 o  215.354   12.105  5627.61  613.074  6334.10  866.214  4918.50  867.823  226.066   16.337  197.532   18.833 28.53418 24.93142 
1 1 1   11    5   18 o   98.754   7.7144  1170.30  178.468  1170.30  178.468   0.0000   0.0000   98.754   7.7144  ?   ?  0.000000 7.714443 
1 1 1   11    5   19 o   21.272   2.6184   54.300   12.875   54.300   12.875   0.0000   0.0000   21.272   2.6184  ?   ?  0.000000 2.618386 
1 1 1   11    5   20 o   70.475   4.0741  590.210   67.511  641.800   95.328  538.300   95.623   73.308   5.5480   67.012   6.1101 6.295418 8.253058 
1 1 1   11    5   21 o   93.162   5.0603  1033.09  110.903  1145.40  156.884  920.900  156.797   97.797   6.8365   87.469   7.6688 10.32764 10.27367 
1 1 1   11    5   22 o  107.282   5.8398  1372.95  147.384  1426.20  208.422  1319.70  208.443  108.826   8.1702  104.571   8.5153 4.254211 11.80096 
1 1 1   11    5   23 o  152.880   7.9554  2809.23  286.201  3254.00  405.010  2365.60  404.489  163.501   10.546  138.436   12.509 25.06506 16.36133 
1 1 1   11    5   24 o   74.338   4.2182  657.723   73.740  689.300  104.164  626.000  104.405   75.831   5.8627   72.181   6.1852 3.650185 8.522158 
1 1 1   11    5   25 o   84.556   4.6353  852.450   92.199  941.500  130.427  763.500  130.353   88.528   6.2799   79.498   7.0159 9.030296 9.415903 
1 1 1   11    5   26 o  109.685   5.9040  1443.43  152.353  1558.10  215.577  1329.00  215.342  113.186   8.1198  104.208   8.8344 8.978058 11.99905 
1 1 1   11    5   27 o  140.017   7.6608  2383.25  252.329  2362.80  356.824  2403.70  356.871  137.278   11.103  138.541   10.999 -1.263687 15.62846 
1 1 1   11    5   28 f   69.949   5.6923  591.700   93.207  591.700   93.207   0.0000   0.0000   69.949   5.6923  ?   ?  0.000000 5.692302 
1 1 1   11    5   29 o   86.707   6.9805  921.500  141.714  921.500  141.714   0.0000   0.0000   86.707   6.9805  ?   ?  0.000000 6.980527 
1 1 1   11    5   30 o  101.969   8.2685  1299.40  197.380  1299.40  197.380   0.0000   0.0000  101.969   8.2685  ?   ?  0.000000 8.268543 
1 1 1   11    5   31 o  102.196   8.3740  1318.70  200.307  1318.70  200.307   0.0000   0.0000  102.196   8.3740  ?   ?  0.000000 8.373964 
1 1 1   11    5   32 o   90.789   7.4574  1034.70  158.464  1034.70  158.464   0.0000   0.0000   90.789   7.4574  ?   ?  0.000000 7.457416 
1 1 1   11    5   33 o   55.310   4.7133  372.900   60.971  372.900   60.971   0.0000   0.0000   55.310   4.7133  ?   ?  0.000000 4.713250 
1 1 1   11    5   34 o   22.838   2.7041   63.000   14.300   63.000   14.300   0.0000   0.0000   22.838   2.7041  ?   ?  0.000000 2.704124 
1 1 1   11    5   35 o   32.889   3.2379  130.800   24.820  130.800   24.820   0.0000   0.0000   32.889   3.2379  ?   ?  0.000000 3.237884 
1 1 1   11    5   36 f   46.213   4.1013  260.900   44.291  260.900   44.291   0.0000   0.0000   46.213   4.1013  ?   ?  0.000000 4.101346 
1 1 1   11    5   37 o   15.687   2.4870   30.100   8.9053   30.100   8.9053   0.0000   0.0000   15.687   2.4870  ?   ?  0.000000 2.487021 
1 1 1   11    5   38 o   23.997   2.7835   70.100   15.480   70.100   15.480   0.0000   0.0000   23.997   2.7835  ?   ?  0.000000 2.783501 
1 1 1   11    5   39 o   54.626   4.8374  378.100   61.753  378.100   61.753   0.0000   0.0000   54.626   4.8374  ?   ?  0.000000 4.837431 
1 1 1   11    5   40 o   39.767   3.7491  196.600   34.790  196.600   34.790   0.0000   0.0000   39.767   3.7491  ?   ?  0.000000 3.749106 
1 1 1   11    5   41 o   10.309   2.3798   13.300   5.6755   13.300   5.6755   0.0000   0.0000   10.309   2.3798  ?   ?  0.000000 2.379766 
1 1 1   11    5   42 o   27.296   2.9933   92.000   18.977   92.000   18.977   0.0000   0.0000   27.296   2.9933  ?   ?  0.000000 2.993325 
1 1 1   11    5   43 o   31.979   3.2674  127.200   24.327  127.200   24.327   0.0000   0.0000   31.979   3.2674  ?   ?  0.000000 3.267409 
1 1 1   11    5   44 o   11.456   2.4848   16.500   6.5283   16.500   6.5283   0.0000   0.0000   11.456   2.4848  ?   ?  0.000000 2.484833 
1 1 1   11    5   45 o   11.682   2.4569   17.200   6.5625   17.200   6.5625   0.0000   0.0000   11.682   2.4569  ?   ?  0.000000 2.456919 
1 1 1   11    5   46 o   24.136   2.8467   73.000   15.912   73.000   15.912   0.0000   0.0000   24.136   2.8467  ?   ?  0.000000 2.846716 
1 1 1   11    5   47 o   24.650   2.9134   76.800   16.630   76.800   16.630   0.0000   0.0000   24.650   2.9134  ?   ?  0.000000 2.913414 
1 1 1   11    5   48 o   27.168   3.0657   94.600   19.324   94.600   19.324   0.0000   0.0000   27.168   3.0657  ?   ?  0.000000 3.065720 
1 1 1   11    5   49 o   2.1503   1.0363  -2.4000   1.5655  -2.4000   1.5655   0.0000   0.0000   2.1503   1.0363  ?   ?  0.000000 1.036252 
1 1 1   11    5   50 o   5.7208   2.0130   3.6000   3.3749   3.6000   3.3749   0.0000   0.0000   5.7208   2.0130  ?   ?  0.000000 2.013010 
1 1 1   11    5   51 o   9.5534   2.4076   11.900   5.4292   11.900   5.4292   0.0000   0.0000   9.5534   2.4076  ?   ?  0.000000 2.407572 
1 1 1   11    5   52 o   21.133   2.8770   59.800   13.984   59.800   13.984   0.0000   0.0000   21.133   2.8770  ?   ?  0.000000 2.877031 
1 1 1   11    5   53 o   11.012   2.6471   16.800   6.7982   16.800   6.7982   0.0000   0.0000   11.012   2.6471  ?   ?  0.000000 2.647091 
1 1 1   11    5   54 o   19.914   3.0652   57.600   13.952   57.600   13.952   0.0000   0.0000   19.914   3.0652  ?   ?  0.000000 3.065180 
1 1 1   11    5   55 o   4.7041   2.0405   0.3000   4.1976   0.3000   4.1976   0.0000   0.0000   4.7041   2.0405  ?   ?  0.000000 2.040547 
1 1 1   11    5   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    6    0 o  140.857   10.938  2395.70  358.759  2395.70  358.759  2395.70  358.759  140.857   10.938  140.857   10.938 -0.000000 0.000000 
1 1 1   11    6    1 o  424.779   22.796 22259.27  2278.20 19542.10  3218.82 24986.70  3224.90  386.167   35.703  442.144   31.086 -55.97705 47.33939 
1 1 1   11    6    2 o  360.990   19.634 15916.49  1667.40 15575.50  2359.05 16256.90  2357.06  350.528   28.754  358.741   28.048 -8.212982 40.16776 
1 1 1   11    6    3 o  243.745   12.957  7132.92  743.077  7492.00  1051.05  6774.10  1050.69  247.910   18.079  235.250   19.078 12.65942 26.28359 
1 1 1   11    6    4 o   85.313   4.6597  863.515   93.517  940.600  132.282  786.500  132.223   88.877   6.3447   81.152   6.9675 7.725372 9.423493 
1 1 1   11    6    5 o  259.678   13.817  8119.83  844.179  8529.20  1194.09  7710.80  1193.60  263.759   19.306  250.192   20.381 13.56685 28.07300 
1 1 1   11    6    6 o  238.166   12.724  6817.53  713.004  6896.70  1008.48  6738.40  1008.20  237.420   18.125  234.565   18.348 2.854950 25.79106 
1 1 1   11    6    7 o  340.287   18.203 14158.05  1457.35 14847.80  2062.35 13470.10  2059.67  342.798   25.664  325.251   27.063 17.54672 37.29686 
1 1 1   11    6    8 o  239.445   11.739  6868.01  663.744  8186.20  940.048  5557.50  937.308  259.654   15.401  212.239   18.900 47.41519 24.38013 
1 1 1   11    6    9 f   61.987   3.5554  455.804   51.824  452.900   73.342  458.700   73.238   61.637   5.0844   62.038   5.0431 -0.4008560 7.161272 
1 1 1   11    6   10 o  196.702   10.510  4641.65  486.396  4584.50  687.576  4698.90  688.160  193.853   15.141  196.345   14.955 -2.491776 21.28129 
1 1 1   11    6   11 o  153.695   8.2676  2821.28  298.953  2830.20  421.965  2812.30  423.607  153.050   11.766  152.536   11.854 0.5135803 16.70158 
1 1 1   11    6   12 o  129.212   7.0087  1989.93  213.048  2113.70  301.202  1866.00  301.391  132.629   9.6843  124.415   10.353 8.214554 14.17624 
1 1 1   11    6   13 o   66.374   3.7650  522.854   58.767  547.900   83.103  497.800   83.114   67.792   5.2318   64.563   5.5042 3.228249 7.593939 
1 1 1   11    6   14 o  145.307   7.7333  2522.17  264.391  2839.60  373.983  2205.00  373.826  153.515   10.378  134.755   11.869 18.75923 15.76612 
1 1 1   11    6   15 o  170.035   9.2035  3468.78  368.156  3623.20  520.429  3314.10  520.873  172.501   12.869  164.682   13.514 7.818665 18.66084 
1 1 1   11    6   16 o  161.975   8.7171  3145.17  332.187  3167.70  469.569  3122.60  469.999  161.315   12.423  160.115   12.531 1.200241 17.64504 
1 1 1   11    6   17 o   52.758   2.9913  330.182   37.112  384.100   52.542  276.500   52.427   56.826   3.9399   48.078   4.6771 8.747963 6.115407 
1 1 1   11    6   18 o   36.084   3.3928  155.400   28.569  155.400   28.569   0.0000   0.0000   36.084   3.3928  ?   ?  0.000000 3.392756 
1 1 1   11    6   19 o  198.242   15.564  4870.30  722.713  4870.30  722.713   0.0000   0.0000  198.242   15.564  ?   ?  0.000000 15.56371 
1 1 1   11    6   20 o  114.362   6.2559  1560.40  168.302  1588.00  237.571  1532.60  238.461  114.786   8.8326  112.701   9.0364 2.085403 12.63608 
1 1 1   11    6   21 o   51.303   3.0845  312.495   37.194  357.400   52.574  267.500   52.626   54.771   4.0946   47.247   4.7829 7.523911 6.296117 
1 1 1   11    6   22 o  202.689   11.220  4999.99  534.924  5248.00  755.528  4750.70  757.469  204.763   15.746  194.096   16.689 10.66637 22.94493 
1 1 1   11    6   23 o   49.943   2.9883  296.201   35.079  296.700   49.547  295.700   49.673   49.838   4.2507   49.751   4.2696 0.8714676E-01 6.024809 
1 1 1   11    6   24 o   92.081   5.0842  1011.42  110.119  1020.10  155.514  1002.70  155.951   92.004   7.2160   91.189   7.3038 0.8153687 10.26722 
1 1 1   11    6   25 o  109.287   6.1035  1431.91  156.881  1590.00  221.680  1273.30  222.047  114.478   8.2559  101.995   9.3225 12.48268 12.45268 
1 1 1   11    6   26 o   35.675   2.3732  151.268   19.878  158.700   28.079  143.800   28.145   36.436   3.2993   34.642   3.4880 1.793724 4.801216 
1 1 1   11    6   27 o   44.957   2.7422  240.374   28.972  231.100   40.915  249.700   41.030   43.898   3.9906   45.669   3.8403 -1.770706 5.538300 
1 1 1   11    6   28 o  104.954   5.8626  1330.18  144.716  1458.30  204.556  1201.80  204.763  108.879   8.0125   98.316   8.9169 10.56326 11.98798 
1 1 1   11    6   29 o   66.908   3.8541  535.645   60.634  572.000   85.697  499.200   85.803   68.746   5.3205   64.068   5.7321 4.678101 7.820790 
1 1 1   11    6   30 o   40.584   2.5477  196.227   24.291  207.100   34.389  185.400   34.317   41.528   3.5406   39.235   3.7497 2.293713 5.157172 
1 1 1   11    6   31 o   37.845   3.5249  172.500   31.138  172.500   31.138   0.0000   0.0000   37.845   3.5249  ?   ?  0.000000 3.524899 
1 1 1   11    6   32 o   8.5985   2.2372   9.1000   4.5859   9.1000   4.5859   0.0000   0.0000   8.5985   2.2372  ?   ?  0.000000 2.237223 
1 1 1   11    6   33 o   63.537   5.3164  495.500   79.031  495.500   79.031   0.0000   0.0000   63.537   5.3164  ?   ?  0.000000 5.316400 
1 1 1   11    6   34 o   27.624   2.9403   92.100   18.885   92.100   18.885   0.0000   0.0000   27.624   2.9403  ?   ?  0.000000 2.940295 
1 1 1   11    6   35 o   54.354   4.6666  362.200   59.314  362.200   59.314   0.0000   0.0000   54.354   4.6666  ?   ?  0.000000 4.666574 
1 1 1   11    6   36 o   58.828   5.0218  428.300   69.091  428.300   69.091   0.0000   0.0000   58.828   5.0218  ?   ?  0.000000 5.021769 
1 1 1   11    6   37 o   46.391   4.1445  264.700   44.923  264.700   44.923   0.0000   0.0000   46.391   4.1445  ?   ?  0.000000 4.144511 
1 1 1   11    6   38 o   69.986   6.0685  633.000   99.296  633.000   99.296   0.0000   0.0000   69.986   6.0685  ?   ?  0.000000 6.068499 
1 1 1   11    6   39 o   49.249   4.4170  304.500   50.821  304.500   50.821   0.0000   0.0000   49.249   4.4170  ?   ?  0.000000 4.416990 
1 1 1   11    6   40 o   14.278   2.5759   25.300   8.3654   25.300   8.3654   0.0000   0.0000   14.278   2.5759  ?   ?  0.000000 2.575866 
1 1 1   11    6   41 o   31.158   3.1954  120.000   23.177  120.000   23.177   0.0000   0.0000   31.158   3.1954  ?   ?  0.000000 3.195414 
1 1 1   11    6   42 o   43.218   4.0322  236.200   40.675  236.200   40.675   0.0000   0.0000   43.218   4.0322  ?   ?  0.000000 4.032197 
1 1 1   11    6   43 o   16.746   2.5411   34.700   9.7331   34.700   9.7331   0.0000   0.0000   16.746   2.5411  ?   ?  0.000000 2.541141 
1 1 1   11    6   44 o  ?   ?   -6.1000   0.7466  -6.1000   0.7466   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11    6   45 o   23.036   2.7997   66.100   14.917   66.100   14.917   0.0000   0.0000   23.036   2.7997  ?   ?  0.000000 2.799743 
1 1 1   11    6   46 o   9.9258   2.3797   12.500   5.5054   12.500   5.5054   0.0000   0.0000   9.9258   2.3797  ?   ?  0.000000 2.379738 
1 1 1   11    6   47 o   12.445   2.4940   19.700   7.0737   19.700   7.0737   0.0000   0.0000   12.445   2.4940  ?   ?  0.000000 2.494008 
1 1 1   11    6   48 o   8.6790   2.4251   9.6000   5.1621   9.6000   5.1621   0.0000   0.0000   8.6790   2.4251  ?   ?  0.000000 2.425085 
1 1 1   11    6   49 o   25.250   2.9646   81.800   17.340   81.800   17.340   0.0000   0.0000   25.250   2.9646  ?   ?  0.000000 2.964595 
1 1 1   11    6   50 o   24.834   2.9668   79.800   17.053   79.800   17.053   0.0000   0.0000   24.834   2.9668  ?   ?  0.000000 2.966796 
1 1 1   11    6   51 o   3.2785   1.4847  -1.3000   2.4724  -1.3000   2.4724   0.0000   0.0000   3.2785   1.4847  ?   ?  0.000000 1.484692 
1 1 1   11    6   52 f   11.919   2.6240   19.100   7.1855   19.100   7.1855   0.0000   0.0000   11.919   2.6240  ?   ?  0.000000 2.624042 
1 1 1   11    6   53 o   17.440   2.7481   41.900   10.942   41.900   10.942   0.0000   0.0000   17.440   2.7481  ?   ?  0.000000 2.748113 
1 1 1   11    6   54 o   11.888   2.6483   20.000   7.2437   20.000   7.2437   0.0000   0.0000   11.888   2.6483  ?   ?  0.000000 2.648257 
1 1 1   11    6   55 f   6.1988   2.3684   4.4000   4.8296   4.4000   4.8296   0.0000   0.0000   6.1988   2.3684  ?   ?  0.000000 2.368406 
1 1 1   11    6   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    7    0 o  127.033   9.8986  1947.60  292.780  1947.60  292.780  1947.60  292.780  127.033   9.8986  127.033   9.8986 0.000000 0.000000 
1 1 1   11    7    1 o  147.106   7.8470  2575.81  271.599  2681.50  384.163  2470.20  384.034  149.541   10.955  143.395   11.437 6.146301 15.83729 
1 1 1   11    7    2 o   44.587   2.7145  235.738   28.444  248.700   40.245  222.800   40.207   45.713   3.7617   43.227   3.9838 2.485718 5.479089 
1 1 1   11    7    3 o  253.829   13.237  7745.91  790.638  6799.90  1117.70  8693.40  1118.57  234.901   20.351  267.037   17.842 -32.13582 27.06461 
1 1 1   11    7    4 f   32.996   2.2414  129.198   17.360  128.200   24.529  130.200   24.572   32.780   3.2102   33.039   3.1893 -0.2595520 4.525127 
1 1 1   11    7    5 f  350.625   19.445 15079.55  1603.63 15712.70  2264.67 14442.80  2271.10  351.490   27.505  335.648   28.937 15.84225 39.92329 
1 1 1   11    7    6 o  349.216   19.007 14957.76  1561.45 14895.90  2208.36 15019.60  2208.10  341.543   27.618  343.086   27.486 -1.543427 38.96481 
1 1 1   11    7    7 o  195.698   10.456  4586.42  481.425  4688.20  680.936  4484.70  680.739  196.497   14.784  192.035   15.135 4.462128 21.15688 
1 1 1   11    7    8 o  223.360   11.690  5995.78  614.417  6589.00  869.555  5404.30  868.281  232.460   15.937  209.639   17.705 22.82104 23.82187 
1 1 1   11    7    9 o   82.949   4.5722  816.841   89.211  882.300  126.172  751.400  126.155   86.022   6.2543   79.271   6.8055 6.750992 9.242850 
1 1 1   11    7   10 o  117.883   6.3502  1653.73  176.116  1626.40  248.957  1681.10  249.174  116.413   9.1297  118.397   8.9793 -1.983833 12.80543 
1 1 1   11    7   11 o  137.151   7.2860  2242.57  235.121  2111.70  332.345  2373.70  332.677  132.324   10.729  140.504   10.094 -8.180527 14.73084 
1 1 1   11    7   12 o  111.800   6.2143  1488.11  163.411  1651.50  230.882  1324.10  231.315  117.414   8.3825  104.849   9.4441 12.56431 12.62767 
1 1 1   11    7   13 o  111.726   6.0154  1485.75  158.117  1619.40  223.652  1352.20  223.571  116.269   8.1986  106.025   9.0154 10.24380 12.18581 
1 1 1   11    7   14 o  184.600  10.0000  4096.71  434.296  4387.80  614.018  3805.30  614.358  189.556   13.813  175.969   14.926 13.58731 20.33647 
1 1 1   11    7   15 o  207.663   11.110  5206.19  542.807  5862.80  767.736  4549.90  767.555  218.486   14.971  191.169   17.187 27.31694 22.79297 
1 1 1   11    7   16 f  223.587   11.984  6059.69  630.440  6755.10  891.713  5364.70  891.440  233.603   16.267  206.688   18.459 26.91536 24.60382 
1 1 1   11    7   17 o  174.751   9.6490  3674.09  396.626  3925.10  560.196  3421.80  561.634  179.150   13.338  166.724   14.407 12.42570 19.63324 
1 1 1   11    7   18 o  189.173   10.471  4320.24  465.903  4637.30  658.122  4001.70  659.654  194.115   14.461  179.591   15.713 14.52435 21.35496 
1 1 1   11    7   19 o  206.440   16.275  5307.10  786.958  5307.10  786.958   0.0000   0.0000  206.440   16.275  ?   ?  0.000000 16.27545 
1 1 1   11    7   20 o  155.785   8.5846  2915.65  314.578  3064.70  444.141  2765.60  445.625  158.471   11.957  150.189   12.684 8.281204 17.43120 
1 1 1   11    7   21 o   94.979   5.2731  1074.63  117.799  1097.00  166.101  1052.00  167.090   95.556   7.4195   93.516   7.6332 2.039413 10.64490 
1 1 1   11    7   22 o   70.845   4.0364  596.723   67.247  613.700   94.899  579.600   95.305   71.614   5.6578   69.549   5.8576 2.064812 8.143892 
1 1 1   11    7   23 o  108.780   5.9945  1414.24  153.385  1453.80  216.535  1374.40  217.304  109.658   8.4268  106.517   8.7158 3.140785 12.12334 
1 1 1   11    7   24 o   41.790   2.6678  207.467   26.189  218.500   36.925  196.300   37.150   42.775   3.6919   40.494   3.9349 2.281666 5.395648 
1 1 1   11    7   25 o   76.724   4.3565  701.856   78.603  731.100  110.962  672.400  111.362   77.960   6.0755   74.674   6.3766 3.286224 8.807569 
1 1 1   11    7   26 o   87.314   4.9768  912.241  102.187  1018.50  144.351  805.500  144.678   91.794   6.7059   81.290   7.6262 10.50347 10.15523 
1 1 1   11    7   27 o   95.373   5.2447  1091.95  117.663  1078.50  166.077  1105.50  166.726   93.962   7.5488   95.166   7.4795 -1.204178 10.62672 
1 1 1   11    7   28 o  104.419   5.8377  1317.54  143.365  1384.20  202.531  1250.60  202.966  105.898   8.1621  100.364   8.6486 5.534401 11.89195 
1 1 1   11    7   29 o   33.299   2.2645  132.001   17.701  133.100   25.018  130.900   25.047   33.300   3.2219   33.016   3.2551 0.2844620 4.579973 
1 1 1   11    7   30 o   67.049   3.8797  539.113   61.164  560.600   86.373  517.500   86.625   67.881   5.4340   65.110   5.6913 2.771042 7.868896 
1 1 1   11    7   31 o   58.413   3.4053  408.743   46.768  405.800   66.065  411.700   66.214   57.766   4.8891   58.196   4.8629 -0.4299660 6.895764 
1 1 1   11    7   32 o   95.716   5.4251  1119.14  122.115  1205.60  172.609  1032.50  172.784   97.875   7.5261   90.008   8.2202 7.867691 11.14510 
1 1 1   11    7   33 o   41.228   2.6060  203.100   25.240  199.200   35.697  207.000   35.692   40.566   3.7696   41.379   3.6915 -0.8133278 5.276137 
1 1 1   11    7   34 o   19.120   2.5726   44.300   11.320   44.300   11.320   0.0000   0.0000   19.120   2.5726  ?   ?  0.000000 2.572631 
1 1 1   11    7   35 o   30.035   3.0809  109.100   21.541  109.100   21.541   0.0000   0.0000   30.035   3.0809  ?   ?  0.000000 3.080856 
1 1 1   11    7   36 o   60.054   5.1204  447.500   71.918  447.500   71.918   0.0000   0.0000   60.054   5.1204  ?   ?  0.000000 5.120438 
1 1 1   11    7   37 o   14.541   2.5304   26.000   8.3732   26.000   8.3732   0.0000   0.0000   14.541   2.5304  ?   ?  0.000000 2.530388 
1 1 1   11    7   38 o   24.640   2.8310   74.000   16.172   74.000   16.172   0.0000   0.0000   24.640   2.8310  ?   ?  0.000000 2.830987 
1 1 1   11    7   39 o   20.913   2.6573   53.500   12.826   53.500   12.826   0.0000   0.0000   20.913   2.6573  ?   ?  0.000000 2.657265 
1 1 1   11    7   40 o   30.918   3.1910  117.800   22.962  117.800   22.962   0.0000   0.0000   30.918   3.1910  ?   ?  0.000000 3.191024 
1 1 1   11    7   41 o   28.819   3.0615  102.500   20.515  102.500   20.515   0.0000   0.0000   28.819   3.0615  ?   ?  0.000000 3.061460 
1 1 1   11    7   42 o   31.693   3.2407  124.600   23.911  124.600   23.911   0.0000   0.0000   31.693   3.2407  ?   ?  0.000000 3.240669 
1 1 1   11    7   43 o   18.966   2.5893   44.400   11.293   44.400   11.293   0.0000   0.0000   18.966   2.5893  ?   ?  0.000000 2.589256 
1 1 1   11    7   44 o   28.416   3.0766  100.500   20.315  100.500   20.315   0.0000   0.0000   28.416   3.0766  ?   ?  0.000000 3.076644 
1 1 1   11    7   45 o   26.498   3.0053   87.900   18.472   87.900   18.472   0.0000   0.0000   26.498   3.0053  ?   ?  0.000000 3.005335 
1 1 1   11    7   46 o   24.639   2.8960   76.300   16.528   76.300   16.528   0.0000   0.0000   24.639   2.8960  ?   ?  0.000000 2.896042 
1 1 1   11    7   47 o   13.593   2.4684   23.400   7.6312   23.400   7.6312   0.0000   0.0000   13.593   2.4684  ?   ?  0.000000 2.468406 
1 1 1   11    7   48 o   12.481   2.4706   19.900   7.0239   19.900   7.0239   0.0000   0.0000   12.481   2.4706  ?   ?  0.000000 2.470639 
1 1 1   11    7   49 o   35.140   3.6472  163.700   29.823  163.700   29.823   0.0000   0.0000   35.140   3.6472  ?   ?  0.000000 3.647190 
1 1 1   11    7   50 f   32.373   3.4933  139.500   26.281  139.500   26.281   0.0000   0.0000   32.373   3.4933  ?   ?  0.000000 3.493304 
1 1 1   11    7   51 o   12.653   2.5848   21.000   7.4619   21.000   7.4619   0.0000   0.0000   12.653   2.5848  ?   ?  0.000000 2.584770 
1 1 1   11    7   52 o   19.964   2.8639   53.800   13.114   53.800   13.114   0.0000   0.0000   19.964   2.8639  ?   ?  0.000000 2.863946 
1 1 1   11    7   53 o   11.436   2.5857   18.100   6.8186   18.100   6.8186   0.0000   0.0000   11.436   2.5857  ?   ?  0.000000 2.585725 
1 1 1   11    7   54 o  ?   ?  -12.7000   1.4890 -12.7000   1.4890   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11    7   55 o   10.036   2.9732   15.300   7.5471   15.300   7.5471   0.0000   0.0000   10.036   2.9732  ?   ?  0.000000 2.973238 
1 1 1   11    7   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    8    0 o   31.634   3.2035  121.800   23.367  121.800   23.367  121.800   23.367   31.634   3.2035   31.634   3.2035 0.000000 0.000000 
1 1 1   11    8    1 o  223.773   11.852  6005.01  624.029  6420.60  882.821  5590.00  882.201  229.827   16.374  213.878   17.625 15.94884 24.05707 
1 1 1   11    8    2 o  448.432   24.695 25160.16  2604.93 26915.90  3686.54 23409.40  3681.31  451.585   34.841  417.231   37.775 34.35388 51.38866 
1 1 1   11    8    3 f  295.739   15.750 10599.16  1095.95 10197.90  1548.87 11001.50  1550.95  285.864   23.144  297.583   22.232 -11.71841 32.09203 
1 1 1   11    8    4 o  338.756   18.381 14036.90  1464.80 14409.50  2071.67 13664.40  2071.41  337.293   26.217  327.742   27.006 9.550690 37.63803 
1 1 1   11    8    5 o   84.526   4.6813  848.027   93.072  890.300  131.583  805.700  131.666   86.409   6.4964   82.129   6.8517 4.279709 9.441835 
1 1 1   11    8    6 o  428.432   23.839 23045.88  2402.25 22046.60  3396.08 24046.60  3398.52  404.121   35.964  424.673   34.179 -20.55270 49.61494 
1 1 1   11    8    7 o  185.287   9.8437  4108.66  429.147  4631.80  606.986  3585.80  606.826  195.738   13.210  171.463   15.143 24.27553 20.09500 
1 1 1   11    8    8 o   62.019   3.5516  456.300   51.797  457.000   73.242  455.600   73.263   61.917   5.0535   61.820   5.0631 0.9630203E-01 7.153504 
1 1 1   11    8    9 o  207.806   11.208  5192.59  547.933  5432.50  774.664  4952.40  775.125  210.773   15.677  200.826   16.491 9.947235 22.75309 
1 1 1   11    8   10 o  146.599   7.8998  2565.25  272.458  2892.40  385.282  2238.00  385.346  155.046   10.587  135.872   12.138 19.17349 16.10632 
1 1 1   11    8   11 o  126.764   6.7844  1914.43  202.344  1854.70  285.986  1974.30  286.330  124.150   9.8357  128.186   9.5275 -4.035912 13.69359 
1 1 1   11    8   12 o  283.424   15.983  9854.96  1065.34 10812.10  1505.01  8893.70  1508.24  292.125   21.979  262.566   24.613 29.55936 32.99807 
1 1 1   11    8   13 o  199.336   10.442  4780.90  489.810  5571.30  692.939  3991.60  692.453  213.771   13.801  179.549   16.517 34.22282 21.52425 
1 1 1   11    8   14 o  154.277   8.2784  2848.33  300.485  3005.00  424.978  2691.70  424.921  157.512   11.506  148.796   12.201 8.715729 16.77018 
1 1 1   11    8   15 o   45.874   2.6945  249.613   29.060  290.400   41.141  209.000   41.053   49.417   3.5493   41.802   4.2166 7.614662 5.511510 
1 1 1   11    8   16 o   51.341   3.0322  312.790   36.598  357.800   51.763  267.800   51.752   54.828   4.0263   47.307   4.6947 7.520744 6.184786 
1 1 1   11    8   17 o  163.488   8.9245  3208.86  343.230  3317.00  484.715  3100.10  486.089  164.920   12.541  159.201   13.045 5.719559 18.09510 
1 1 1   11    8   18 o  103.893   5.8015  1286.06  141.760  1418.70  200.286  1152.90  200.674  108.741   7.8528   97.761   8.7868 10.98035 11.78447 
1 1 1   11    8   19 f  117.433   6.5204  1646.31  180.101  1764.20  254.363  1527.80  255.040  121.001   8.9662  112.356   9.7081 8.644302 13.21514 
1 1 1   11    8   20 o  121.104   6.5397  1751.68  186.324  1823.00  263.543  1680.40  263.461  122.891   9.1472  117.842   9.5500 5.048584 13.22402 
1 1 1   11    8   21 o   64.788   3.7225  498.693   56.710  603.800   80.183  393.500   80.216   71.176   4.7988   57.197   6.0301 13.97947 7.706489 
1 1 1   11    8   22 o   54.799   3.0064  356.387   38.755  308.200   54.548  405.500   55.070   50.757   4.6012   58.354   4.0211 -7.596500 6.110680 
1 1 1   11    8   23 o  190.248   10.684  4417.50  478.039  4834.10  675.322  3999.10  676.779  196.265   14.678  177.161   16.363 19.10410 21.98113 
1 1 1   11    8   24 o  121.952   6.7162  1785.88  192.663  1831.10  271.937  1740.30  272.999  122.490   9.4754  119.272   9.7790 3.217850 13.61658 
1 1 1   11    8   25 o   99.072   5.5012  1175.41  128.191  1205.30  180.951  1145.30  181.630   99.648   7.7511   97.036   7.9980 2.612297 11.13762 
1 1 1   11    8   26 o  127.065   7.1160  1954.41  212.654  2118.90  300.411  1789.20  301.065  130.913   9.7887  119.676   10.769 11.23678 14.55288 
1 1 1   11    8   27 f   42.140   2.6885  211.309   26.613  230.400   37.578  192.100   37.695   43.870   3.6609   39.964   4.0503 3.906448 5.459607 
1 1 1   11    8   28 o   39.270   2.5006  183.529   23.068  178.500   32.556  188.600   32.691   38.558   3.6179   39.659   3.5276 -1.100754 5.053087 
1 1 1   11    8   29 o   90.021   5.1264  978.436  108.523  1033.60  153.217  922.900  153.734   91.600   7.1399   86.276   7.6244 5.323830 10.44561 
1 1 1   11    8   30 o   38.379   2.4732  175.541   22.295  173.200   31.471  177.900   31.588   37.933   3.5548   38.457   3.5174 -0.5231934 5.000905 
1 1 1   11    8   31 o   42.763   2.5986  218.144   26.116  200.900   36.821  235.600   37.046   40.771   3.8710   44.250   3.5760 -3.479176 5.269956 
1 1 1   11    8   32 o   32.696   2.2393  127.500   17.185  126.500   24.300  128.500   24.305   32.394   3.2194   32.657   3.1927 -0.2630005 4.534045 
1 1 1   11    8   33 o   40.018   2.5734  191.372   24.189  202.500   34.175  180.200   34.243   40.949   3.5700   38.550   3.8117 2.399483 5.222418 
1 1 1   11    8   34 o   56.077   3.3078  377.991   43.607  371.000   61.632  385.000   61.707   55.024   4.7912   56.097   4.7018 -1.072670 6.712879 
1 1 1   11    8   35 o   36.359   2.3151  157.997   19.773  178.900   28.033  137.300   27.894   38.520   3.1084   33.595   3.5710 4.925846 4.734343 
1 1 1   11    8   36 o   20.730   1.6054   51.270   7.7972   66.300   11.133   36.800   10.924   23.526   2.0237   17.332   2.7618 6.194677 3.423852 
1 1 1   11    8   37 o   30.227   3.1096  111.200   21.878  111.200   21.878   0.0000   0.0000   30.227   3.1096  ?   ?  0.000000 3.109562 
1 1 1   11    8   38 o   41.447   3.8313  212.100   37.073  212.100   37.073   0.0000   0.0000   41.447   3.8313  ?   ?  0.000000 3.831264 
1 1 1   11    8   39 o   16.083   2.4984   31.800   9.1800   31.800   9.1800   0.0000   0.0000   16.083   2.4984  ?   ?  0.000000 2.498354 
1 1 1   11    8   40 f   33.445   3.3303  138.300   25.952  138.300   25.952   0.0000   0.0000   33.445   3.3303  ?   ?  0.000000 3.330315 
1 1 1   11    8   41 o   7.9935   2.2481   7.9000   4.4210   7.9000   4.4210   0.0000   0.0000   7.9935   2.2481  ?   ?  0.000000 2.248061 
1 1 1   11    8   42 o   39.217   3.7494  193.200   34.299  193.200   34.299   0.0000   0.0000   39.217   3.7494  ?   ?  0.000000 3.749418 
1 1 1   11    8   43 o   29.322   3.0987  106.700   21.130  106.700   21.130   0.0000   0.0000   29.322   3.0987  ?   ?  0.000000 3.098671 
1 1 1   11    8   44 o   26.781   2.9867   89.200   18.566   89.200   18.566   0.0000   0.0000   26.781   2.9867  ?   ?  0.000000 2.986701 
1 1 1   11    8   45 f   26.498   2.9862   87.900   18.359   87.900   18.359   0.0000   0.0000   26.498   2.9862  ?   ?  0.000000 2.986241 
1 1 1   11    8   46 o   17.500   2.6493   38.500   10.605   38.500   10.605   0.0000   0.0000   17.500   2.6493  ?   ?  0.000000 2.649272 
1 1 1   11    8   47 o   52.452   5.2371  392.900   63.999  392.900   63.999   0.0000   0.0000   52.452   5.2371  ?   ?  0.000000 5.237116 
1 1 1   11    8   48 o   30.173   3.2767  118.000   22.971  118.000   22.971   0.0000   0.0000   30.173   3.2767  ?   ?  0.000000 3.276698 
1 1 1   11    8   49 o   16.056   2.5968   32.900   9.5096   32.900   9.5096   0.0000   0.0000   16.056   2.5968  ?   ?  0.000000 2.596820 
1 1 1   11    8   50 o   19.136   2.6808   47.000   11.781   47.000   11.781   0.0000   0.0000   19.136   2.6808  ?   ?  0.000000 2.680763 
1 1 1   11    8   51 o   3.0224   1.3333  -0.5000   1.8593  -0.5000   1.8593   0.0000   0.0000   3.0224   1.3333  ?   ?  0.000000 1.333272 
1 1 1   11    8   52 o   21.642   2.9443   63.900   14.656   63.900   14.656   0.0000   0.0000   21.642   2.9443  ?   ?  0.000000 2.944308 
1 1 1   11    8   53 o   12.207   2.7524   21.000   7.7445   21.000   7.7445   0.0000   0.0000   12.207   2.7524  ?   ?  0.000000 2.752407 
1 1 1   11    8   54 o   3.0874   1.4948  -5.0000   3.3513  -5.0000   3.3513   0.0000   0.0000   3.0874   1.4948  ?   ?  0.000000 1.494785 
1 1 1   11    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11    9    0 o  362.014   28.789 16386.20  2425.21 16386.20  2425.21 16386.20  2425.21  362.014   28.789  362.014   28.789 -0.000000 0.000000 
1 1 1   11    9    1 f  207.058   11.002  5137.19  535.994  4768.30  757.791  5506.50  758.229  197.700   16.380  213.015   15.173 -15.31480 22.32770 
1 1 1   11    9    2 o  209.177   11.132  5245.25  547.858  4976.80  774.570  5514.00  775.005  201.967   16.382  212.996   15.516 -11.02864 22.56355 
1 1 1   11    9    3 o  208.238   11.128  5199.69  545.228  5176.60  770.813  5222.80  771.325  206.118   15.961  207.067   15.896 -0.9496002 22.52671 
1 1 1   11    9    4 o  134.849   7.2440  2165.10  229.826  2167.80  325.083  2162.40  324.962  134.359   10.325  134.188   10.335 0.1708832 14.60909 
1 1 1   11    9    5 o  140.706   7.5310  2358.72  249.315  2326.90  352.397  2390.60  352.772  139.089   10.814  141.025   10.672 -1.935623 15.19386 
1 1 1   11    9    6 f  139.690   7.4459  2324.99  244.723  2150.20  345.979  2500.00  346.201  133.577   11.068  144.303   10.226 -10.72563 15.06935 
1 1 1   11    9    7 o  291.218   15.666 10333.88  1073.31 11452.00  1518.07  9216.30  1517.71  302.645   21.380  269.325   24.120 33.31961 32.23133 
1 1 1   11    9    8 o   79.326   4.4339  747.091   82.722  799.100  116.941  695.000  117.033   81.856   6.0936   76.241   6.5647 5.615196 8.956980 
1 1 1   11    9    9 o  186.755   9.9811  4182.50  438.568  4512.20  620.278  3852.90  620.180  192.701   13.721  177.523   14.933 15.17789 20.27971 
1 1 1   11    9   10 o   38.938   2.4268  179.848   22.203  201.200   31.438  158.600   31.361   41.122   3.2644   36.431   3.6967 4.691338 4.931736 
1 1 1   11    9   11 o  266.318   14.458  8641.69  905.809  9173.70  1280.89  8109.50  1281.12  270.509   20.198  253.178   21.637 17.33081 29.59936 
1 1 1   11    9   12 o  111.756   6.0748  1486.98  159.710  1543.20  225.803  1430.70  225.924  113.413   8.4931  109.103   8.8454 4.310425 12.26274 
1 1 1   11    9   13 o  137.340   7.4616  2252.67  241.077  2395.10  340.795  2110.00  341.074  140.914   10.313  132.007   11.043 8.907104 15.11030 
1 1 1   11    9   14 o  121.570   6.5857  1762.23  188.350  2003.40  266.351  1521.00  266.383  129.171   8.7845  112.130   10.171 17.04131 13.43955 
1 1 1   11    9   15 o  174.299   9.3291  3648.88  382.575  3580.70  540.748  3717.20  541.339  171.086   13.495  174.446   13.240 -3.360275 18.90525 
1 1 1   11    9   16 o  101.054   5.4757  1215.42  130.176  1328.80  184.124  1102.10  184.068  105.329   7.4509   95.719   8.2235 9.610359 11.09692 
1 1 1   11    9   17 o  112.946   6.2953  1521.35  167.232  1707.20  236.307  1334.90  236.695  119.207   8.4496  105.046   9.6501 14.16106 12.82652 
1 1 1   11    9   18 o   45.500   2.7779  245.688   29.704  242.200   41.934  249.200   42.082   45.052   3.9828   45.709   3.9372 -0.6570244 5.600400 
1 1 1   11    9   19 o  200.091   10.880  4849.77  512.111  4900.20  723.040  4799.00  725.435  198.558   15.545  196.338   15.780 2.220169 22.15107 
1 1 1   11    9   20 o  145.487   7.8697  2538.64  269.354  2623.40  380.842  2453.80  381.007  146.802   11.068  141.790   11.478 5.011703 15.94489 
1 1 1   11    9   21 o  151.482   8.1972  2757.78  292.125  2953.80  413.091  2561.70  413.164  155.572   11.323  144.431   12.229 11.14119 16.66592 
1 1 1   11    9   22 f   27.118   1.9252   87.346   12.248   77.700   17.188   97.300   17.459   25.461   2.9110   28.563   2.6176 -3.101871 3.914875 
1 1 1   11    9   23 o   98.734   5.5576  1164.69  129.046  1228.40  182.020  1100.30  182.981  100.872   7.6998   95.291   8.2121 5.581062 11.25721 
1 1 1   11    9   24 o   78.169   4.4598  728.537   81.980  769.500  115.674  687.200  116.202   79.995   6.1713   75.473   6.5862 4.522346 9.025662 
1 1 1   11    9   25 o  104.022   5.8255  1298.60  142.518  1354.70  201.103  1242.00  202.003  105.453   8.1389  100.778   8.5698 4.675797 11.81882 
1 1 1   11    9   26 o   67.945   3.9169  550.785   62.577  595.800   88.415  505.600   88.581   70.366   5.3614   64.665   5.8650 5.701256 7.946241 
1 1 1   11    9   27 o   72.532   4.0120  628.643   68.448  595.800   96.499  661.900   97.105   70.123   5.8821   74.022   5.5968 -3.899155 8.119313 
1 1 1   11    9   28 o   78.160   4.3785  732.716   80.487  725.300  113.564  740.200  114.090   77.129   6.2901   77.937   6.2519 -0.8076096 8.868619 
1 1 1   11    9   29 o   15.834   1.6850   29.999   6.2033   29.800   8.7549   30.200   8.7907   15.667   2.4465   15.775   2.4386 -0.1082964 3.454293 
1 1 1   11    9   30 o   30.238   2.1374  108.938   15.163  105.200   21.408  112.700   21.480   29.561   3.1138   30.626   3.0090 -1.065477 4.330061 
1 1 1   11    9   31 f   21.537   1.8428   55.355   9.2816   57.100   13.108   53.600   13.145   21.765   2.6020   21.059   2.7059 0.7054501 3.753984 
1 1 1   11    9   32 o   63.401   3.7587  483.820   56.021  533.200   79.130  434.200   79.323   66.047   5.1136   59.299   5.7365 6.748123 7.684808 
1 1 1   11    9   33 o   80.712   4.5894  791.818   87.109  800.600  123.067  783.000  123.314   79.978   6.5746   79.024   6.6707 0.9542542 9.366101 
1 1 1   11    9   34 o   46.273   2.8373  256.547   30.853  255.300   43.588  257.800   43.677   45.810   4.0718   46.040   4.0591 -0.2296181 5.749417 
1 1 1   11    9   35 f   38.939   2.5175  181.551   23.025  175.400   32.565  187.700   32.559   37.973   3.6779   39.333   3.5436 -1.360165 5.107266 
1 1 1   11    9   36 o   28.287   2.0722   95.729   13.745   99.400   19.494   92.100   19.382   28.645   2.9230   27.536   3.0311 1.109396 4.210817 
1 1 1   11    9   37 o   46.325   2.8681  259.007   31.219  287.700   44.146  230.300   44.156   48.401   3.8955   43.037   4.4071 5.363693 5.881995 
1 1 1   11    9   38 o   32.949   2.2045  130.429   17.053  155.400   24.152  105.600   24.083   35.769   2.8839   29.213   3.5651 6.556221 4.585544 
1 1 1   11    9   39 o   56.879   3.2842  395.923   43.923  454.900   62.210  337.300   62.023   60.151   4.4105   51.144   5.2083 9.007221 6.824912 
1 1 1   11    9   40 o   31.348   3.2083  121.300   23.415  121.300   23.415   0.0000   0.0000   31.348   3.2083  ?   ?  0.000000 3.208332 
1 1 1   11    9   41 o  ?   ?   -2.7000   0.6892  -2.7000   0.6892   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11    9   42 o   5.0055   1.8879   2.2000   3.0438   2.2000   3.0438   0.0000   0.0000   5.0055   1.8879  ?   ?  0.000000 1.887892 
1 1 1   11    9   43 o   31.014   3.2108  119.700   23.174  119.700   23.174   0.0000   0.0000   31.014   3.2108  ?   ?  0.000000 3.210823 
1 1 1   11    9   44 o   6.6796   2.1260   5.3000   3.7749   5.3000   3.7749   0.0000   0.0000   6.6796   2.1260  ?   ?  0.000000 2.125951 
1 1 1   11    9   45 o   10.931   2.3979   15.100   6.0191   15.100   6.0191   0.0000   0.0000   10.931   2.3979  ?   ?  0.000000 2.397880 
1 1 1   11    9   46 o   2.0720   0.9738  -1.3000   1.2167  -1.3000   1.2167   0.0000   0.0000   2.0720   0.9738  ?   ?  0.000000 0.9738200 
1 1 1   11    9   47 o   22.002   2.7886   61.300   14.163   61.300   14.163   0.0000   0.0000   22.002   2.7886  ?   ?  0.000000 2.788631 
1 1 1   11    9   48 o   42.567   4.2747  247.800   42.386  247.800   42.386   0.0000   0.0000   42.567   4.2747  ?   ?  0.000000 4.274689 
1 1 1   11    9   49 o   7.9491   2.3172   8.0000   4.6165   8.0000   4.6165   0.0000   0.0000   7.9491   2.3172  ?   ?  0.000000 2.317179 
1 1 1   11    9   50 o   14.007   2.6051   25.400   8.2994   25.400   8.2994   0.0000   0.0000   14.007   2.6051  ?   ?  0.000000 2.605099 
1 1 1   11    9   51 o   11.456   2.5086   17.300   6.5981   17.300   6.5981   0.0000   0.0000   11.456   2.5086  ?   ?  0.000000 2.508594 
1 1 1   11    9   52 o   7.5575   2.2797   7.5000   4.4075   7.5000   4.4075   0.0000   0.0000   7.5575   2.2797  ?   ?  0.000000 2.279743 
1 1 1   11    9   53 o   13.579   2.8071   26.100   8.7033   26.100   8.7033   0.0000   0.0000   13.579   2.8071  ?   ?  0.000000 2.807073 
1 1 1   11    9   54 o   5.0367   2.1989   0.2000   4.9407   0.2000   4.9407   0.0000   0.0000   5.0367   2.1989  ?   ?  0.000000 2.198941 
1 1 1   11    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   10    0 o   49.229   4.2974  292.900   49.081  292.900   49.081  292.900   49.081   49.229   4.2974   49.229   4.2974 -0.000000 0.000000 
1 1 1   11   10    1 o  337.993   18.213 14010.58  1448.23 12920.20  2047.43 15102.40  2048.78  316.992   27.629  345.079   25.320 -28.08679 37.47575 
1 1 1   11   10    2 o   31.198   2.1559  115.523   15.785  131.500   22.342   99.600   22.305   33.234   2.8753   28.835   3.3375 4.399294 4.405280 
1 1 1   11   10    3 o  104.155   5.4841  1288.68  134.404  1472.60  190.242  1105.40  189.912  111.115   7.2910   96.012   8.4631 15.10375 11.17063 
1 1 1   11   10    4 o  225.224   12.059  6105.59  638.996  5980.90  903.463  6230.40  903.891  220.610   17.486  225.372   17.112 -4.762573 24.46626 
1 1 1   11   10    5 o  182.485   9.9330  3988.99  426.414  3444.00  603.312  4533.00  602.769  167.809   15.397  193.509   13.271 -25.70018 20.32728 
1 1 1   11   10    6 o   65.954   3.6809  516.029   57.098  538.100   81.065  494.300   80.435   67.205   5.1473   64.372   5.3397 2.833145 7.416739 
1 1 1   11   10    7 o  128.585   6.8428  1969.19  207.024  2233.00  292.839  1705.60  292.713  136.508   9.1374  118.913   10.533 17.59545 13.94432 
1 1 1   11   10    8 o  199.223   10.507  4766.10  492.535  5441.10  696.733  4091.80  696.367  211.550   14.027  182.362   16.345 29.18777 21.53834 
1 1 1   11   10    9 o  158.813   8.5362  3015.48  318.946  3090.60  450.955  2940.30  451.161  159.812   12.038  155.751   12.369 4.060883 17.25994 
1 1 1   11   10   10 o  200.634   10.898  4844.95  514.393  4993.60  726.604  4695.60  728.321  201.832   15.361  195.419   15.922 6.413406 22.12363 
1 1 1   11   10   11 o  150.228   7.8902  2696.23  278.918  3085.10  394.613  2308.00  394.286  160.027   10.501  137.795   12.245 22.23167 16.13123 
1 1 1   11   10   12 o   99.955   5.3619  1188.19  126.096  1319.40  178.404  1057.20  178.249  105.047   7.2363   93.811   8.1269 11.23573 10.88160 
1 1 1   11   10   13 o  112.760   5.8455  1513.37  155.112  1775.50  219.540  1252.10  219.183  121.825   7.6707  101.896   9.2089 19.92979 11.98516 
1 1 1   11   10   14 o   52.961   3.0838  332.807   38.400  391.400   54.325  274.300   54.286   57.359   4.0366   47.862   4.8711 9.496815 6.326278 
1 1 1   11   10   15 o   80.035   4.4451  761.156   83.679  799.100  118.331  723.200  118.350   81.777   6.1733   77.719   6.5087 4.057800 8.970661 
1 1 1   11   10   16 o  233.845   12.961  6664.24  712.900  7014.90  1006.85  6311.70  1009.54  236.447   18.172  223.362   19.331 13.08519 26.53142 
1 1 1   11   10   17 o  234.555   13.149  6716.10  725.371  7308.20  1024.75  6121.50  1026.91  241.222   18.123  219.200   20.062 22.02188 27.03555 
1 1 1   11   10   18 o  251.102   14.136  7747.96  834.779  8661.80  1179.65  6831.30  1181.47  261.263   19.257  229.399   22.083 31.86429 29.30025 
1 1 1   11   10   19 o   57.462   3.4169  392.150   46.154  436.000   65.198  348.100   65.346   60.465   4.6008   53.905   5.1982 6.560757 6.941793 
1 1 1   11   10   20 o   81.209   4.4707  784.312   85.402  861.700  120.806  707.000  120.746   84.885   6.0669   76.725   6.7326 8.159645 9.062852 
1 1 1   11   10   21 o   30.694   2.1490  111.900   15.478  116.000   21.889  107.800   21.889   31.167   3.0117   30.019   3.1341 1.147429 4.346633 
1 1 1   11   10   22 o  137.194   7.4098  2260.87  239.161  2442.90  338.253  2078.90  338.196  141.574   10.186  130.156   11.110 11.41821 15.07297 
1 1 1   11   10   23 o   69.356   3.8033  572.128   62.050  634.200   87.838  510.300   87.665   72.820   5.1412   65.168   5.7560 7.652496 7.717751 
1 1 1   11   10   24 o  130.285   7.2660  2048.18  222.649  2176.20  314.411  1919.40  315.337  133.008   10.086  124.484   10.836 8.523102 14.80300 
1 1 1   11   10   25 o  112.916   6.1798  1533.93  164.151  1528.50  231.633  1539.40  232.659  111.634   8.8599  112.030   8.8672 -0.3960953 12.53497 
1 1 1   11   10   26 o   37.565   2.4708  167.839   21.795  185.300   30.788  150.300   30.856   39.365   3.3438   35.359   3.7530 4.006657 5.026506 
1 1 1   11   10   27 o  108.469   6.1369  1424.86  156.543  1528.50  221.059  1320.60  221.714  111.110   8.4897  102.803   9.2317 8.307709 12.54185 
1 1 1   11   10   28 o   18.914   1.7639   42.698   7.7875   42.200   10.996   43.200   11.030   18.691   2.5586   18.919   2.5325 -0.2285061 3.599995 
1 1 1   11   10   29 f   71.914   4.1544  621.176   70.247  645.500   99.090  596.600   99.600   72.728   5.8185   69.788   6.1053 2.940208 8.433867 
1 1 1   11   10   30 o   11.249   1.5749   15.266   4.0687   18.800   5.8252   11.900   5.6854   12.431   2.0564   9.8202   2.4576 2.610673 3.204479 
1 1 1   11   10   31 o   39.599   2.5494  187.168   23.713  205.500   33.518  168.800   33.551   41.319   3.4674   37.329   3.8621 3.989632 5.190296 
1 1 1   11   10   32 o   61.069   3.4909  447.996   50.132  428.500   70.711  467.700   71.086   59.145   5.1132   61.897   4.9037 -2.751308 7.084582 
1 1 1   11   10   33 f   67.597   3.9117  551.881   62.173  560.800   87.773  542.900   88.078   67.381   5.5663   66.227   5.6873 1.154106 7.957985 
1 1 1   11   10   34 o   44.955   2.7067  241.979   28.599  225.000   40.303  259.200   40.589   42.982   4.0175   46.245   3.7492 -3.262985 5.495119 
1 1 1   11   10   35 o   35.057   2.3577  147.059   19.404  159.700   27.432  134.400   27.451   36.334   3.2310   33.221   3.5545 3.112522 4.803515 
1 1 1   11   10   36 o   93.473   5.4049  1094.17  118.789  1116.70  167.906  1071.60  168.079   91.629   7.8355   89.491   8.0396 2.138069 11.22631 
1 1 1   11   10   37 o   53.693   3.2639  350.151   41.186  389.600   58.208  310.600   58.283   56.002   4.4380   49.607   5.0457 6.394279 6.719791 
1 1 1   11   10   38 o   29.656   2.1060  105.654   14.652  126.200   20.745   85.200   20.698   32.240   2.7512   26.233   3.4229 6.007412 4.391542 
1 1 1   11   10   39 o   26.080   1.9898   81.773   12.161   89.700   17.228   73.900   17.169   27.116   2.7276   24.491   3.0336 2.624821 4.079534 
1 1 1   11   10   40 o   33.729   2.2094  137.219   17.500  168.900   24.800  105.800   24.697   37.188   2.8457   29.041   3.6843 8.146757 4.655352 
1 1 1   11   10   41 f   59.297   3.5336  436.279   49.252  465.300   69.739  407.400   69.568   59.852   4.9796   55.583   5.3672 4.268768 7.321429 
1 1 1   11   10   42 o   12.237   2.4270   18.700   6.7655   18.700   6.7655   0.0000   0.0000   12.237   2.4270  ?   ?  0.000000 2.427029 
1 1 1   11   10   43 o   50.467   4.6457  330.900   54.741  330.900   54.741   0.0000   0.0000   50.467   4.6457  ?   ?  0.000000 4.645679 
1 1 1   11   10   44 o   23.760   2.8209   70.200   15.518   70.200   15.518   0.0000   0.0000   23.760   2.8209  ?   ?  0.000000 2.820852 
1 1 1   11   10   45 o   29.245   3.1504  107.900   21.413  107.900   21.413   0.0000   0.0000   29.245   3.1504  ?   ?  0.000000 3.150363 
1 1 1   11   10   46 o   14.793   2.5320   27.600   8.5266   27.600   8.5266   0.0000   0.0000   14.793   2.5320  ?   ?  0.000000 2.531952 
1 1 1   11   10   47 f   39.275   3.9539  205.500   36.171  205.500   36.171   0.0000   0.0000   39.275   3.9539  ?   ?  0.000000 3.953897 
1 1 1   11   10   48 o   8.6282   2.3937   9.5000   5.0482   9.5000   5.0482   0.0000   0.0000   8.6282   2.3937  ?   ?  0.000000 2.393674 
1 1 1   11   10   49 o   6.6082   2.2375   5.1000   4.1558   5.1000   4.1558   0.0000   0.0000   6.6082   2.2375  ?   ?  0.000000 2.237468 
1 1 1   11   10   50 o   5.4737   1.9637   3.2000   3.2266   3.2000   3.2266   0.0000   0.0000   5.4737   1.9637  ?   ?  0.000000 1.963736 
1 1 1   11   10   51 o  ?   ?   -3.2000   0.7179  -3.2000   0.7179   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   10   52 o   6.0743   2.1597   4.3000   3.8942   4.3000   3.8942   0.0000   0.0000   6.0743   2.1597  ?   ?  0.000000 2.159664 
1 1 1   11   10   53 o   13.591   2.9815   26.800   9.3055   26.800   9.3055   0.0000   0.0000   13.591   2.9815  ?   ?  0.000000 2.981545 
1 1 1   11   10   54 f   14.033   3.1122   29.700   10.042   29.700   10.042   0.0000   0.0000   14.033   3.1122  ?   ?  0.000000 3.112184 
1 1 1   11   10   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   11    0 o  216.412   16.837  5718.90  848.434  5718.90  848.434  5718.90  848.434  216.412   16.837  216.412   16.837 -0.000000 0.000000 
1 1 1   11   11    1 o   38.707   2.4542  177.726   22.316  188.900   31.593  166.600   31.526   39.828   3.3915   37.361   3.6188 2.467335 4.959633 
1 1 1   11   11    2 o  107.712   5.7050  1378.92  144.587  1207.60  204.339  1550.70  204.615  100.313   8.7129  113.956   7.6483 -13.64264 11.59360 
1 1 1   11   11    3 o   38.830   2.4690  178.874   22.521  187.200   31.899  170.600   31.800   39.641   3.4419   37.811   3.6052 1.829987 4.984423 
1 1 1   11   11    4 o  194.488   10.694  4541.92  489.245  4071.10  692.537  5011.00  691.258  182.091   16.278  202.918   14.522 -20.82657 21.81434 
1 1 1   11   11    5 o  131.420   7.1005  2057.99  219.530  2050.20  311.176  2065.70  309.754  130.546   10.175  131.062   10.086 -0.5157318 14.32677 
1 1 1   11   11    6 o   26.528   1.9945   83.600   12.402   84.200   17.534   83.000   17.545   26.540   2.8420   26.345   2.8666 0.1951122 4.036623 
1 1 1   11   11    7 o  189.807   9.0097  4299.16  403.818  5309.30  572.220  3297.00  569.957  209.902   11.590  164.117   14.868 45.78456 18.85180 
1 1 1   11   11    8 o  159.913   8.0664  3053.44  303.615  3681.80  429.757  2427.30  428.998  174.999   10.447  141.212   13.012 33.78696 16.68692 
1 1 1   11   11    9 o   76.699   4.2909  698.524   77.403  746.700  109.437  650.300  109.491   79.115   5.9003   73.738   6.3501 5.377914 8.668222 
1 1 1   11   11   10 o  120.624   6.6599  1734.31  188.964  1872.10  266.981  1596.00  267.491  124.836   9.1200  115.018   9.9466 9.818230 13.49477 
1 1 1   11   11   11 o  245.200   13.180  7306.25  760.339  8087.10  1075.42  6525.80  1075.15  254.955   17.978  227.362   20.237 27.59322 27.06952 
1 1 1   11   11   12 o  200.619   10.643  4849.94  502.396  5451.50  710.681  4249.00  710.309  211.030   14.347  185.166   16.415 25.86371 21.80124 
1 1 1   11   11   13 o  109.454   5.9356  1426.70  152.839  1424.50  216.100  1428.90  216.193  108.889   8.4711  109.060   8.4611 -0.1708908 11.97285 
1 1 1   11   11   14 o   38.252   2.4560  173.649   22.068  168.700   31.204  178.600   31.213   37.593   3.5574   38.702   3.4516 -1.108688 4.956686 
1 1 1   11   11   15 o  132.697   7.1419  2103.23  222.965  2193.60  315.355  2012.90  315.284  134.801   9.9780  128.963   10.443 5.837952 14.44344 
1 1 1   11   11   16 o  192.469   10.629  4473.97  481.204  4737.60  679.595  4208.90  681.458  196.061   14.788  184.180   15.822 11.88173 21.65708 
1 1 1   11   11   17 o  191.464   10.561  4430.27  475.631  4719.90  671.921  4139.40  673.370  195.597   14.654  182.485   15.782 13.11198 21.53635 
1 1 1   11   11   18 o   55.049   3.2450  359.777   41.995  371.200   59.319  348.300   59.461   55.775   4.5435   53.993   4.7109 1.781628 6.544902 
1 1 1   11   11   19 o  176.710   9.6628  3769.30  401.680  3894.70  567.380  3643.30  568.745  177.747   13.622  171.592   14.163 6.155533 19.65041 
1 1 1   11   11   20 o  136.521   7.2398  2232.64  232.559  2462.70  329.077  2003.10  328.700  142.557   9.8358  128.090   10.973 14.46727 14.73625 
1 1 1   11   11   21 o   39.473   2.5155  185.002   23.325  181.100   32.993  188.900   32.979   38.933   3.6307   39.780   3.5481 -0.8470268 5.076492 
1 1 1   11   11   22 o  123.655   6.4276  1831.24  187.036  2134.20  264.710  1529.20  264.307  132.843   8.4829  111.774   10.124 21.06899 13.20796 
1 1 1   11   11   23 o   59.847   3.3851  425.823   47.643  472.300   67.433  379.500   67.322   62.868   4.5737   56.224   5.1271 6.643925 6.870655 
1 1 1   11   11   24 o   96.162   5.2022  1106.38  117.688  1237.20  166.511  975.800  166.361  101.174   7.0129   89.489   7.9556 11.68484 10.60532 
1 1 1   11   11   25 o  100.064   5.7142  1203.60  134.459  1452.00  190.002  954.400  190.305  109.299   7.4055   87.741   9.3282 21.55746 11.91034 
1 1 1   11   11   26 o   27.928   2.0265   92.778   13.274   86.000   18.674   99.700   18.871   26.756   3.0078   28.863   2.8042 -2.106106 4.112193 
1 1 1   11   11   27 o  131.282   7.3218  2110.93  226.075  2147.10  319.140  2074.50  320.300  129.996   10.486  127.554   10.734 2.442017 15.00561 
1 1 1   11   11   28 o   47.621   2.9027  270.411   32.485  318.300   45.935  222.500   45.946   51.509   3.8035   42.836   4.6152 8.672939 5.980470 
1 1 1   11   11   29 o   48.049   2.9612  275.671   33.434  286.900   47.136  264.300   47.433   48.768   4.1319   46.740   4.3474 2.027985 5.997760 
1 1 1   11   11   30 o   28.972   2.0993  100.052   14.265  100.300   20.103   99.800   20.244   28.868   2.9925   28.790   3.0230 0.7814980E-01 4.253675 
1 1 1   11   11   31 o   70.455   4.0403  598.321   66.937  605.400   94.526  591.200   94.801   70.143   5.7577   69.265   5.8508 0.8779297 8.208751 
1 1 1   11   11   32 o   45.827   2.8273  251.261   30.446  254.900   42.990  247.600   43.125   45.859   4.0103   45.170   4.0874 0.6889572 5.726165 
1 1 1   11   11   33 o   33.132   2.2287  131.032   17.335  122.000   24.425  140.200   24.608   31.752   3.3061   34.111   3.0886 -2.358362 4.524299 
1 1 1   11   11   34 o   29.411   2.1736  103.411   14.989  118.200   21.154   88.500   21.241   31.315   2.8936   26.939   3.4160 4.376030 4.476771 
1 1 1   11   11   35 o   10.971   1.6638   14.598   4.1750   14.900   5.9267   14.300   5.8822   10.975   2.3572   10.746   2.3808 0.2292795 3.350298 
1 1 1   11   11   36 o   49.708   2.9760  298.120   34.771  349.000   49.212  247.400   49.135   53.384   3.9316   44.525   4.7464 8.858269 6.163250 
1 1 1   11   11   37 o   33.721   2.3204  136.675   18.364  151.600   25.949  121.700   25.993   35.270   3.1488   31.430   3.5654 3.840580 4.756780 
1 1 1   11   11   38 o   25.839   1.9857   80.187   12.023   90.200   17.014   70.200   16.992   27.232   2.6805   23.872   3.0866 3.359722 4.088084 
1 1 1   11   11   39 o   22.569   1.9135   61.286   10.101   74.000   14.265   48.500   14.306   24.668   2.4827   19.716   3.1810 4.951897 4.035192 
1 1 1   11   11   40 o   7.3457   1.5524   6.6669   2.6085   14.300   3.8681   0.3000   3.5327   10.850   1.5541   4.5627   1.9221 6.287354 2.471831 
1 1 1   11   11   41 o   28.346   2.0090   96.803   13.360  120.300   18.953   73.600   18.835   31.422   2.5771   24.236   3.3834 7.186693 4.253072 
1 1 1   11   11   42 o   13.957   1.5994   23.534   5.1760   29.400   7.4288   18.000   7.2158   15.512   2.0806   11.957   2.6274 3.554471 3.351419 
1 1 1   11   11   43 o   18.459   2.6113   42.200   11.065   42.200   11.065   0.0000   0.0000   18.459   2.6113  ?   ?  0.000000 2.611317 
1 1 1   11   11   44 o   20.598   2.7017   52.800   12.824   52.800   12.824   0.0000   0.0000   20.598   2.7017  ?   ?  0.000000 2.701697 
1 1 1   11   11   45 o   9.2323   2.4315   10.800   5.3743   10.800   5.3743   0.0000   0.0000   9.2323   2.4315  ?   ?  0.000000 2.431488 
1 1 1   11   11   46 o   7.5634   2.2627   7.1000   4.3552   7.1000   4.3552   0.0000   0.0000   7.5634   2.2627  ?   ?  0.000000 2.262715 
1 1 1   11   11   47 o   34.476   3.5725  155.700   28.661  155.700   28.661   0.0000   0.0000   34.476   3.5725  ?   ?  0.000000 3.572512 
1 1 1   11   11   48 o   6.9728   2.1372   6.0000   3.8522   6.0000   3.8522   0.0000   0.0000   6.9728   2.1372  ?   ?  0.000000 2.137221 
1 1 1   11   11   49 o   13.993   2.5769   25.200   8.2011   25.200   8.2011   0.0000   0.0000   13.993   2.5769  ?   ?  0.000000 2.576866 
1 1 1   11   11   50 o   17.777   2.6863   41.000   10.925   41.000   10.925   0.0000   0.0000   17.777   2.6863  ?   ?  0.000000 2.686299 
1 1 1   11   11   51 o   11.836   2.5021   18.600   6.7741   18.600   6.7741   0.0000   0.0000   11.836   2.5021  ?   ?  0.000000 2.502072 
1 1 1   11   11   52 o   2.6035   1.2165  -1.7000   1.8523  -1.7000   1.8523   0.0000   0.0000   2.6035   1.2165  ?   ?  0.000000 1.216483 
1 1 1   11   11   53 f   4.8122   1.9837   1.4000   3.6440   1.4000   3.6440   0.0000   0.0000   4.8122   1.9837  ?   ?  0.000000 1.983668 
1 1 1   11   11   54 o   3.4006   1.5839  -2.4000   3.1007  -2.4000   3.1007   0.0000   0.0000   3.4006   1.5839  ?   ?  0.000000 1.583878 
1 1 1   11   11   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   12    0 f   36.729   3.5024  163.700   29.742  163.700   29.742  163.700   29.742   36.729   3.5024   36.729   3.5024 0.000000 0.000000 
1 1 1   11   12    1 o   86.100   4.5660  880.001   92.500  758.900  130.654  1001.70  130.976   79.622   7.0209   91.697   6.0834 -12.07441 9.289831 
1 1 1   11   12    2 o  248.827   13.402  7496.53  784.580  7328.20  1109.51  7664.90  1109.62  242.672   19.527  248.514   19.054 -5.841675 27.28294 
1 1 1   11   12    3 o  156.691   8.3564  2932.77  308.074  2749.00  435.529  3116.80  435.835  150.651   12.352  160.714   11.562 -10.06319 16.91836 
1 1 1   11   12    4 o   87.146   4.7261  901.872   96.891  970.200  137.153  833.800  136.897   90.175   6.4844   83.482   7.0094 6.692902 9.548728 
1 1 1   11   12    5 o  191.852   10.255  4418.02  462.898  4545.30  654.849  4290.90  654.424  193.063   14.469  187.368   14.915 5.694763 20.78003 
1 1 1   11   12    6 o  202.862   10.882  4949.73  519.378  4814.60  734.457  5084.90  734.567  198.052   15.837  203.786   15.378 -5.733154 22.07487 
1 1 1   11   12    7 o  123.638   6.4226  1819.90  186.864  2057.40  264.542  1583.40  263.990  131.066   8.5951  114.635   9.8479 16.43139 13.07127 
1 1 1   11   12    8 o  262.746   14.235  8410.00  879.903  8412.80  1244.58  8407.20  1244.16  258.546   20.555  258.459   20.555 0.8657837E-01 29.06966 
1 1 1   11   12    9 o   41.715   2.2710  206.217   22.286  274.400   31.665  139.300   31.370   48.099   2.8001   34.079   3.9728 14.02009 4.860406 
1 1 1   11   12   10 o   84.521   4.6068  848.678   91.597  953.000  129.582  744.500  129.493   89.372   6.1781   78.804   7.0327 10.56732 9.360943 
1 1 1   11   12   11 o  117.058   6.4860  1633.52  178.582  1709.40  251.945  1556.90  253.166  119.233   9.0150  113.637   9.5224 5.595650 13.11284 
1 1 1   11   12   12 o  152.337   8.2135  2777.69  294.365  2924.30  416.235  2631.00  416.356  155.349   11.427  147.081   12.095 8.267044 16.63928 
1 1 1   11   12   13 o   73.134   4.1275  635.284   70.988  680.500  100.354  590.000  100.431   75.507   5.6698   70.210   6.1188 5.296982 8.341887 
1 1 1   11   12   14 o   90.691   4.9671  978.087  105.968  963.600  149.793  992.600  149.930   89.674   7.1329   91.041   7.0286 -1.366493 10.01391 
1 1 1   11   12   15 o  195.276   10.788  4607.25  495.529  5184.00  700.360  4029.10  701.207  205.308   14.540  179.717   16.715 25.59114 22.15409 
1 1 1   11   12   16 o  136.986   7.6357  2245.92  246.014  2499.10  347.562  1991.70  348.272  143.749   10.308  127.808   11.668 15.94149 15.56918 
1 1 1   11   12   17 o  269.988   15.291  9019.28  970.852  9723.40  1371.41  8311.90  1374.58  274.568   21.319  251.615   23.403 22.95377 31.65808 
1 1 1   11   12   18 o   83.884   4.5898  836.854   90.571  807.900  127.875  866.000  128.300   82.085   6.6545   85.045   6.4365 -2.959641 9.257964 
1 1 1   11   12   19 o  117.837   6.5234  1659.50  180.809  1780.60  255.445  1537.90  255.962  121.435   8.9717  112.588   9.7231 8.847672 13.22991 
1 1 1   11   12   20 o  179.344   9.3519  3887.65  394.676  3532.10  557.495  4244.90  558.820  168.427   14.149  185.565   12.832 -17.13837 19.10068 
1 1 1   11   12   21 o   83.882   4.6544  838.114   91.831  863.400  129.832  812.800  129.905   84.787   6.5351   82.203   6.7520 2.584061 9.396673 
1 1 1   11   12   22 o   80.238   4.3965  766.903   82.983  845.000  117.428  689.000  117.282   83.936   5.9635   75.602   6.6367 8.333641 8.922379 
1 1 1   11   12   23 o  175.772   9.5144  3776.96  393.433  4284.50  556.501  3269.80  556.297  184.705   12.839  159.576   14.937 25.12862 19.69644 
1 1 1   11   12   24 o   47.819   2.8700  271.881   32.258  279.500   45.676  264.300   45.563   48.324   4.0398   46.964   4.1513 1.359871 5.792528 
1 1 1   11   12   25 o   66.465   3.7057  526.766   57.929  598.400   81.972  455.300   81.876   70.594   4.9487   61.346   5.7179 9.247494 7.562029 
1 1 1   11   12   26 o   58.586   3.4140  409.405   47.026  411.100   66.406  407.700   66.603   58.407   4.8589   58.154   4.8956 0.2528801 6.897534 
1 1 1   11   12   27 o   85.921   4.8513  888.554   98.025  905.200  138.200  871.700  139.061   85.914   6.8696   84.213   7.0581 1.700745 9.849252 
1 1 1   11   12   28 o   59.205   3.4522  419.153   48.053  419.700   67.779  418.600   68.138   58.864   4.9214   58.776   4.9556 0.8805466E-01 6.984144 
1 1 1   11   12   29 o   30.671   2.1527  112.088   15.492  109.200   21.863  115.000   21.957   30.119   3.1192   30.930   3.0457 -0.8112907 4.359557 
1 1 1   11   12   30 o   61.466   3.5227  453.163   50.916  437.800   71.806  468.700   72.209   59.891   5.1267   62.041   4.9706 -2.150631 7.140765 
1 1 1   11   12   31 o   43.736   2.7053  228.573   27.803  223.800   39.209  233.400   39.429   42.999   3.9041   43.936   3.8390 -0.9369125 5.475385 
1 1 1   11   12   32 o   25.379   2.0086   76.904   11.939   85.700   16.833   68.000   16.936   26.686   2.7089   23.661   3.1062 3.024691 4.121480 
1 1 1   11   12   33 o   38.609   2.4358  178.124   22.093  154.500   31.161  202.000   31.327   35.643   3.7591   40.938   3.2679 -5.295166 4.980985 
1 1 1   11   12   34 o   38.710   2.5262  179.428   22.965  188.500   32.427  170.300   32.528   39.427   3.5200   37.398   3.7333 2.029224 5.131070 
1 1 1   11   12   35 o   60.615   3.5824  445.576   51.049  453.300   72.071  437.800   72.317   60.334   5.1066   59.215   5.2254 1.118515 7.306311 
1 1 1   11   12   36 o   27.999   2.0805   93.949   13.657   93.600   19.294   94.300   19.334   27.729   2.9941   27.836   2.9882 -0.1064148 4.230120 
1 1 1   11   12   37 o   37.244   2.4664  167.117   21.568  184.900   30.488  149.300   30.516   38.864   3.3550   34.723   3.7829 4.140251 5.056316 
1 1 1   11   12   38 o   21.638   1.8498   56.245   9.3606   54.600   13.218   57.900   13.258   21.109   2.7148   21.769   2.6325 -0.6608047 3.781552 
1 1 1   11   12   39 o   19.850   1.8464   47.456   8.5557   61.700   12.076   33.100   12.123   22.546   2.3005   16.179   3.2853 6.366796 4.010691 
1 1 1   11   12   40 o   20.636   1.8302   51.289   8.8262   55.100   12.501   47.500   12.463   21.209   2.5471   19.605   2.7693 1.603746 3.762547 
1 1 1   11   12   41 o   34.999   2.2923  148.218   18.840  189.200   26.687  107.500   26.601   39.288   2.8970   29.060   3.9812 10.22783 4.923679 
1 1 1   11   12   42 o   16.481   1.6646   32.762   6.3893   40.700   9.1167   25.100   8.9570   18.269   2.1547   14.124   2.7846 4.145259 3.520932 
1 1 1   11   12   43 o   20.802   1.7360   52.159   8.4496   69.200   12.036   35.600   11.865   23.858   2.1598   16.750   3.1142 7.107847 3.789903 
1 1 1   11   12   44 o   19.599   1.7624   46.472   8.0695   58.400   11.450   34.700   11.375   21.834   2.2531   16.511   3.0290 5.323154 3.775079 
1 1 1   11   12   45 o   11.917   2.4794   18.000   6.7498   18.000   6.7498   0.0000   0.0000   11.917   2.4794  ?   ?  0.000000 2.479380 
1 1 1   11   12   46 o   15.114   2.5435   28.900   8.7552   28.900   8.7552   0.0000   0.0000   15.114   2.5435  ?   ?  0.000000 2.543465 
1 1 1   11   12   47 o   35.262   3.6354  163.600   29.837  163.600   29.837   0.0000   0.0000   35.262   3.6354  ?   ?  0.000000 3.635448 
1 1 1   11   12   48 o   13.521   2.5420   23.400   7.8180   23.400   7.8180   0.0000   0.0000   13.521   2.5420  ?   ?  0.000000 2.542036 
1 1 1   11   12   49 o   13.529   2.5617   23.600   7.8846   23.600   7.8846   0.0000   0.0000   13.529   2.5617  ?   ?  0.000000 2.561750 
1 1 1   11   12   50 o   6.5072   2.1597   5.1000   3.8734   5.1000   3.8734   0.0000   0.0000   6.5072   2.1597  ?   ?  0.000000 2.159714 
1 1 1   11   12   51 o   3.5442   1.5364  -0.2000   2.3765  -0.2000   2.3765   0.0000   0.0000   3.5442   1.5364  ?   ?  0.000000 1.536407 
1 1 1   11   12   52 o   14.069   2.8731   27.900   9.2220   27.900   9.2220   0.0000   0.0000   14.069   2.8731  ?   ?  0.000000 2.873072 
1 1 1   11   12   53 o   17.888   3.1387   47.200   12.775   47.200   12.775   0.0000   0.0000   17.888   3.1387  ?   ?  0.000000 3.138701 
1 1 1   11   12   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   12   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   13    0 o   44.748   4.0075  242.300   41.565  242.300   41.565  242.300   41.565   44.748   4.0075   44.748   4.0075 0.000000 0.000000 
1 1 1   11   13    1 o   28.238   1.8884   94.610   12.519  119.900   17.845   70.100   17.567   31.765   2.3967   24.146   3.1566 7.618801 3.963363 
1 1 1   11   13    2 o  216.420   11.059  5633.87  563.258  6124.30  799.344  5150.20  793.817  223.863   15.212  204.553   16.577 19.31032 22.49862 
1 1 1   11   13    3 o  139.898   7.4224  2334.25  244.321  2499.60  345.735  2169.30  345.309  144.148   10.224  134.034   11.007 10.11385 15.02276 
1 1 1   11   13    4 o  212.412   11.021  5428.77  550.907  6051.00  779.875  4809.00  778.326  222.587   14.924  197.407   16.859 25.17957 22.51527 
1 1 1   11   13    5 o  150.070   8.0329  2690.29  283.629  2777.70  401.238  2603.00  400.985  151.650   11.285  146.661   11.675 4.989227 16.23793 
1 1 1   11   13    6 o   47.957   2.8922  272.852   32.599  267.600   46.112  278.100   46.094   47.368   4.1649   48.304   4.0792 -0.9367599 5.829755 
1 1 1   11   13    7 o  126.991   6.7926  1922.34  202.952  2018.50  287.179  1826.40  286.856  129.571   9.4513  123.094   9.9540 6.476082 13.72617 
1 1 1   11   13    8 o   61.324   3.5274  446.310   50.865  468.300   71.917  424.300   71.950   62.677   4.8981   59.607   5.1627 3.069740 7.116560 
1 1 1   11   13    9 o   69.624   3.9157  575.484   64.115  592.300   90.717  558.700   90.628   70.453   5.4963   68.390   5.6628 2.063385 7.891602 
1 1 1   11   13   10 o  166.993   8.8893  3342.90  349.269  3513.00  494.229  3173.20  493.652  170.013   12.396  161.278   13.075 8.734741 18.01717 
1 1 1   11   13   11 o   13.682   1.7439   22.471   5.5061   26.200   7.6674   18.500   7.9120   14.718   2.2800   12.266   2.7940 2.451404 3.606208 
1 1 1   11   13   12 o   89.380   4.7691  949.437  100.292  1125.70  141.920  773.600  141.748   97.137   6.2199   80.218   7.5727 16.91927 9.799661 
1 1 1   11   13   13 o  132.572   7.1462  2099.05  222.885  2149.70  315.210  2048.40  315.203  133.424   10.079  130.148   10.342 3.275986 14.44073 
1 1 1   11   13   14 o   80.546   4.4205  770.889   83.757  837.600  118.504  704.300  118.395   83.749   6.0327   76.666   6.6043 7.082535 8.944822 
1 1 1   11   13   15 o  174.214   9.6042  3653.78  393.574  3991.20  556.122  3315.20  557.075  180.629   13.128  163.885   14.546 16.74342 19.59435 
1 1 1   11   13   16 o  131.839   7.1703  2078.21  222.384  2127.50  314.165  2028.70  314.834  132.589   10.111  129.367   10.394 3.221786 14.50016 
1 1 1   11   13   17 o  172.548   9.2507  3586.00  375.543  3532.60  530.099  3639.80  532.104  169.462   13.355  172.111   13.193 -2.648468 18.77295 
1 1 1   11   13   18 o  224.144   12.563  6147.32  662.273  6762.70  935.784  5529.80  937.408  231.629   17.232  207.656   19.340 23.97371 25.90298 
1 1 1   11   13   19 o  195.187   10.673  4630.77  490.067  4706.50  692.075  4554.60  694.047  193.952   15.234  190.550   15.561 3.401596 21.77602 
1 1 1   11   13   20 o   75.199   4.1908  672.730   74.120  650.900  104.774  694.600  104.870   73.656   6.0783   76.142   5.8781 -2.486259 8.455655 
1 1 1   11   13   21 o  197.564   10.633  4772.97  494.238  5344.50  699.157  4202.10  698.758  206.142   14.454  180.990   16.532 25.15286 21.96012 
1 1 1   11   13   22 o   18.395   1.7501   40.354   7.5102   39.200   10.642   41.500   10.600   18.020   2.5740   18.565   2.4800 -0.5451183 3.574359 
1 1 1   11   13   23 o   59.203   3.3578  416.981   46.749  483.900   66.147  350.200   66.079   63.623   4.4305   53.921   5.2565 9.701561 6.874577 
1 1 1   11   13   24 o   48.185   2.9067  276.201   32.918  268.800   46.555  283.600   46.551   47.338   4.2088   48.654   4.0898 -1.316048 5.868591 
1 1 1   11   13   25 o   38.668   2.4610  177.832   22.354  191.800   31.634  163.900   31.592   40.040   3.3773   36.944   3.6700 3.096046 4.987459 
1 1 1   11   13   26 o   57.354   3.2556  392.250   43.909  432.200   62.175  352.500   62.019   59.971   4.4217   54.010   4.9167 5.960487 6.612458 
1 1 1   11   13   27 o   57.304   3.2053  391.837   43.199  446.200   61.185  337.800   61.002   60.921   4.2804   52.795   4.9510 8.126186 6.544797 
1 1 1   11   13   28 o   67.232   3.9335  542.500   62.175  596.800   87.808  487.900   88.050   70.057   5.3483   63.070   5.9838 6.987240 8.025588 
1 1 1   11   13   29 f   42.015   2.6486  210.655   26.143  211.400   36.844  209.900   37.099   41.864   3.7675   41.704   3.8093 0.1595993 5.357674 
1 1 1   11   13   30 o   31.869   2.2380  121.134   16.735  128.300   23.612  113.900   23.723   32.655   3.0991   30.706   3.3249 1.949533 4.545284 
1 1 1   11   13   31 o   22.276   1.9170   59.272   9.9859   64.500   14.027   53.900   14.220   23.137   2.6132   21.063   2.9391 2.073944 3.932790 
1 1 1   11   13   32 o   40.510   2.6088  196.240   24.822  204.300   35.018  188.100   35.190   41.093   3.6466   39.367   3.8342 1.726265 5.291400 
1 1 1   11   13   33 o   96.969   5.5978  1164.24  127.633  1293.40  180.367  1034.70  180.633  100.221   7.6799   88.503   8.7582 11.71771 11.64849 
1 1 1   11   13   34 o   26.282   2.0394   82.597   12.558   88.300   17.686   76.800   17.833   27.032   2.8119   25.133   3.0685 1.898991 4.162004 
1 1 1   11   13   35 o   22.983   1.8912   63.222   10.173   72.000   14.409   54.500   14.363   24.413   2.5366   21.107   2.9634 3.305782 3.900795 
1 1 1   11   13   36 o   11.200   1.7002   15.244   4.3555   13.100   6.1512   17.400   6.1681   10.256   2.5506   11.873   2.2829 -1.617283 3.423045 
1 1 1   11   13   37 o   26.922   2.0427   87.056   12.889  101.800   18.224   72.300   18.232   28.952   2.6967   24.185   3.2768 4.767155 4.243802 
1 1 1   11   13   38 o   23.477   1.9483   66.292   10.703   70.300   15.059   62.200   15.216   23.985   2.7062   22.475   2.9374 1.510065 3.993987 
1 1 1   11   13   39 o   8.4473   1.7046   8.8106   3.2829   6.2000   4.6523   11.400   4.6334   7.2839   2.3645   9.5701   2.1073 -2.286292 3.167269 
1 1 1   11   13   40 o   18.364   1.7717   40.644   7.5874   47.000   10.735   34.300   10.725   19.614   2.3656   16.582   2.8412 3.032015 3.697108 
1 1 1   11   13   41 o   33.796   2.2434  138.119   17.802  168.600   25.230  107.900   25.121   37.069   2.9056   29.240   3.7227 7.828785 4.722436 
1 1 1   11   13   42 o   53.270   3.1972  350.691   40.031  433.400   56.650  268.200   56.575   58.384   4.1358   44.691   5.4755 13.69324 6.861983 
1 1 1   11   13   43 o   25.374   1.8734   77.735   11.146   99.800   15.840   56.100   15.685   28.590   2.3676   21.044   3.2620 7.546473 4.030674 
1 1 1   11   13   44 o   16.556   1.7436   33.268   6.7140   39.300   9.5203   27.300   9.4699   17.839   2.3146   14.651   2.8398 3.187640 3.663594 
1 1 1   11   13   45 o   22.795   2.8143   65.300   14.827   65.300   14.827   0.0000   0.0000   22.795   2.8143  ?   ?  0.000000 2.814332 
1 1 1   11   13   46 o   4.8838   1.8532   2.1000   2.9444   2.1000   2.9444   0.0000   0.0000   4.8838   1.8532  ?   ?  0.000000 1.853230 
1 1 1   11   13   47 o   9.8290   2.4176   12.400   5.5725   12.400   5.5725   0.0000   0.0000   9.8290   2.4176  ?   ?  0.000000 2.417635 
1 1 1   11   13   48 o   9.8772   2.4854   12.600   5.7920   12.600   5.7920   0.0000   0.0000   9.8772   2.4854  ?   ?  0.000000 2.485363 
1 1 1   11   13   49 o   5.9121   2.0264   4.0000   3.4090   4.0000   3.4090   0.0000   0.0000   5.9121   2.0264  ?   ?  0.000000 2.026356 
1 1 1   11   13   50 o   6.6783   2.1576   5.5000   3.8770   5.5000   3.8770   0.0000   0.0000   6.6783   2.1576  ?   ?  0.000000 2.157609 
1 1 1   11   13   51 o   12.554   2.5988   21.300   7.4505   21.300   7.4505   0.0000   0.0000   12.554   2.5988  ?   ?  0.000000 2.598841 
1 1 1   11   13   52 o   31.070   3.9734  152.500   28.484  152.500   28.484   0.0000   0.0000   31.070   3.9734  ?   ?  0.000000 3.973433 
1 1 1   11   13   53 o   13.412   3.1212   27.000   9.6997   27.000   9.6997   0.0000   0.0000   13.412   3.1212  ?   ?  0.000000 3.121215 
1 1 1   11   13   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   14    0 o   75.548   6.1491  688.900  108.025  688.900  108.025  688.900  108.025   75.548   6.1491   75.548   6.1491 -0.000000 0.000000 
1 1 1   11   14    1 o  180.192   9.9871  3898.73  423.285  3353.70  599.211  4441.60  598.023  165.096   15.554  191.151   13.332 -26.05496 20.48580 
1 1 1   11   14    2 o  216.782   11.587  5669.19  590.992  5397.50  835.462  5941.30  836.115  208.925   17.084  219.729   16.229 -10.80371 23.56389 
1 1 1   11   14    3 o  193.369   10.137  4491.49  461.272  5038.40  652.734  3945.90  651.941  203.447   13.666  179.121   15.568 24.32613 20.71568 
1 1 1   11   14    4 o  207.277   10.954  5175.04  534.250  5626.60  756.015  4724.60  755.075  214.322   15.033  195.579   16.504 18.74313 22.32433 
1 1 1   11   14    5 o  102.351   5.4978  1245.90  132.389  1364.50  187.344  1127.60  187.108  106.808   7.4752   96.898   8.2561 9.909500 11.13743 
1 1 1   11   14    6 o   88.188   4.7298  923.928   98.135  1079.80  138.883  768.500  138.685   95.157   6.2149   80.013   7.4248 15.14465 9.682642 
1 1 1   11   14    7 o  282.126   14.805  9736.02  982.877 11002.70  1391.12  8473.40  1388.88  295.780   20.036  256.798   23.153 38.98160 30.61841 
1 1 1   11   14    8 o   93.524   4.9867  1039.66  109.730  1194.90  155.304  884.900  155.059  100.043   6.6114   85.832   7.7335 14.21133 10.17432 
1 1 1   11   14    9 o  210.361   11.452  5348.61  566.719  6148.20  801.282  4548.30  801.641  223.618   15.266  190.686   18.017 32.93216 23.61456 
1 1 1   11   14   10 o   76.277   4.1811  690.945   75.022  746.000  106.198  636.100  105.996   79.074   5.7263   72.911   6.2159 6.162674 8.451484 
1 1 1   11   14   11 o   66.625   3.3942  526.452   53.223  648.200   75.486  406.100   75.052   73.852   4.3477   58.242   5.5231 15.60939 7.029075 
1 1 1   11   14   12 o  156.385   8.4140  2930.40  309.573  2919.70  437.832  2941.10  437.772  154.915   12.064  155.503   12.015 -0.5872955 17.02656 
1 1 1   11   14   13 o  174.760   9.4263  3671.65  387.557  3809.10  547.990  3534.10  548.187  176.498   13.245  169.725   13.797 6.772720 19.12579 
1 1 1   11   14   14 f  108.336   6.0331  1399.07  153.728  1545.00  217.201  1252.60  217.608  113.429   8.1637  101.843   9.1461 11.58620 12.25958 
1 1 1   11   14   15 o  265.046   14.869  8664.37  926.856  9158.40  1309.10  8167.80  1312.45  267.055   20.927  250.669   22.409 16.38605 30.66089 
1 1 1   11   14   16 o  134.136   7.2552  2152.91  228.951  2154.20  323.167  2151.60  324.407  133.270   10.350  133.174   10.398 0.9658813E-01 14.67155 
1 1 1   11   14   17 o  127.947   7.0415  1958.55  211.925  2132.70  299.492  1783.90  299.922  132.796   9.6159  121.077   10.597 11.71891 14.30943 
1 1 1   11   14   18 o   73.906   3.9406  649.016   68.523  581.500   96.598  717.400   97.217   69.653   5.9295   77.516   5.3438 -7.862907 7.982215 
1 1 1   11   14   19 o   56.037   3.2802  373.011   43.215  376.800   61.031  369.200   61.201   56.152   4.6445   55.570   4.7083 0.5819130 6.613567 
1 1 1   11   14   20 o  104.683   5.6606  1309.22  139.406  1249.10  197.015  1369.50  197.286  101.561   8.2873  106.490   7.9019 -4.928856 11.45071 
1 1 1   11   14   21 o   79.732   4.3710  757.435   81.982  811.800  116.062  703.300  115.817   82.228   6.0192   76.401   6.4808 5.827377 8.844836 
1 1 1   11   14   22 o  118.431   6.4513  1686.64  179.737  1674.30  254.050  1699.00  254.322  116.874   9.2817  117.767   9.2189 -0.8924789 13.08201 
1 1 1   11   14   23 o   93.410   5.1564  1045.21  113.297  1080.20  160.212  1010.20  160.241   94.316   7.2491   91.096   7.5164 3.219803 10.44247 
1 1 1   11   14   24 o   35.945   2.3357  153.616   19.717  165.900   27.924  141.400   27.846   37.251   3.2057   34.327   3.4835 2.924667 4.734078 
1 1 1   11   14   25 o   21.077   1.7911   52.932   8.8303   55.800   12.528   50.100   12.448   21.555   2.5083   20.388   2.6481 1.167261 3.647510 
1 1 1   11   14   26 o   25.035   1.8905   74.606   11.094   84.800   15.723   64.500   15.655   26.622   2.5316   23.122   2.9333 3.499479 3.874697 
1 1 1   11   14   27 o   53.147   3.0935  337.144   38.655  368.700   54.716  305.700   54.618   55.337   4.2191   50.248   4.6560 5.088482 6.283273 
1 1 1   11   14   28 o   17.710   1.6664   37.452   6.8870   39.900   9.8378   35.100   9.6445   18.189   2.3451   17.020   2.4720 1.169163 3.407439 
1 1 1   11   14   29 o   98.842   5.5117  1192.33  128.132  1179.50  180.707  1205.30  181.710   96.604   7.9935   97.699   7.9452 -1.094620 11.27042 
1 1 1   11   14   30 o   66.219   3.8443  527.952   59.852  564.700   84.584  491.100   84.704   67.904   5.3176   63.107   5.7471 4.797230 7.829844 
1 1 1   11   14   31 o   30.660   2.2371  112.258   16.085  121.900   22.622  102.400   22.874   31.810   3.0491   29.055   3.3981 2.754494 4.565521 
1 1 1   11   14   32 o   61.319   3.6382  453.353   52.445  516.100   74.107  390.400   74.229   64.921   4.8695   56.045   5.6877 8.876347 7.487448 
1 1 1   11   14   33 o   66.152   3.8378  529.960   59.693  562.200   84.406  497.700   84.431   67.362   5.3505   63.143   5.7249 4.218811 7.835903 
1 1 1   11   14   34 o   92.087   5.4528  1057.45  118.043  1151.20  166.630  963.000  167.248   93.824   7.5859   84.783   8.4671 9.040764 11.36829 
1 1 1   11   14   35 o   8.1451   1.7568   8.1855   3.2797   7.2000   4.6049   9.2000   4.6722   7.7324   2.3297   8.6247   2.2650 -0.8923182 3.249294 
1 1 1   11   14   36 o   28.085   2.1019   94.682   13.838   99.200   19.503   90.100   19.639   28.534   2.9363   27.125   3.1232 1.409410 4.286762 
1 1 1   11   14   37 o   12.086   1.6664   17.705   4.6294   15.800   6.4727   19.700   6.6239   11.253   2.5008   12.631   2.3057 -1.378617 3.401548 
1 1 1   11   14   38 o   27.305   2.1103   89.830   13.501  102.300   19.033   77.200   19.155   28.930   2.8220   24.919   3.3393 4.011410 4.371980 
1 1 1   11   14   39 f   53.240   3.2714  348.739   40.929  359.800   57.781  337.600   57.984   53.004   4.6641   51.167   4.8573 1.837406 6.734004 
1 1 1   11   14   40 o   22.654   1.8942   61.828   10.040   67.300   14.227   56.400   14.170   23.438   2.6152   21.346   2.8852 2.091772 3.893988 
1 1 1   11   14   41 o   23.288   1.9838   65.502   10.805   92.300   15.252   38.500   15.310   27.553   2.3672   17.239   3.8574 10.31477 4.525853 
1 1 1   11   14   42 o   38.294   2.5629  178.901   23.041  197.200   32.539  160.500   32.630   39.669   3.5100   35.481   3.9622 4.187241 5.293282 
1 1 1   11   14   43 o   38.458   2.4434  180.687   22.074  228.200   31.271  133.500   31.164   42.801   3.1154   31.974   4.2316 10.82763 5.254695 
1 1 1   11   14   44 o   23.639   1.9901   67.978   11.006   80.900   15.518   54.900   15.612   25.546   2.6091   20.692   3.3065 4.854084 4.211866 
1 1 1   11   14   45 f   11.632   2.4496   17.200   6.5157   17.200   6.5157   0.0000   0.0000   11.632   2.4496  ?   ?  0.000000 2.449615 
1 1 1   11   14   46 f   48.871   4.8590  335.100   55.330  335.100   55.330   0.0000   0.0000   48.871   4.8590  ?   ?  0.000000 4.859020 
1 1 1   11   14   47 o   35.022   3.6174  161.500   29.484  161.500   29.484   0.0000   0.0000   35.022   3.6174  ?   ?  0.000000 3.617362 
1 1 1   11   14   48 o   17.659   2.6224   39.800   10.603   39.800   10.603   0.0000   0.0000   17.659   2.6224  ?   ?  0.000000 2.622372 
1 1 1   11   14   49 o   15.143   2.5603   29.600   8.8291   29.600   8.8291   0.0000   0.0000   15.143   2.5603  ?   ?  0.000000 2.560341 
1 1 1   11   14   50 o   9.6393   2.4311   12.300   5.5329   12.300   5.5329   0.0000   0.0000   9.6393   2.4311  ?   ?  0.000000 2.431144 
1 1 1   11   14   51 o   12.557   2.9961   22.300   8.7599   22.300   8.7599   0.0000   0.0000   12.557   2.9961  ?   ?  0.000000 2.996114 
1 1 1   11   14   52 o   9.5582   2.6587   12.900   6.2192   12.900   6.2192   0.0000   0.0000   9.5582   2.6587  ?   ?  0.000000 2.658672 
1 1 1   11   14   53 o   4.4389   1.9268   0.1000   3.7475   0.1000   3.7475   0.0000   0.0000   4.4389   1.9268  ?   ?  0.000000 1.926781 
1 1 1   11   14   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   15    0 o  140.276   10.952  2385.60  357.701  2385.60  357.701  2385.60  357.701  140.276   10.952  140.276   10.952 -0.000000 0.000000 
1 1 1   11   15    1 o  141.151   7.6601  2379.66  254.361  2444.90  359.276  2314.10  360.167  142.292   10.772  138.310   11.122 3.981827 15.48355 
1 1 1   11   15    2 o  178.257   9.5288  3812.93  399.640  3739.50  564.129  3886.90  566.229  175.014   13.761  178.546   13.531 -3.531601 19.29908 
1 1 1   11   15    3 o  122.607   6.6188  1791.65  190.917  1829.60  270.011  1753.70  269.985  123.338   9.3402  120.687   9.5517 2.650726 13.35941 
1 1 1   11   15    4 o  123.637   6.5836  1821.73  191.516  1962.40  271.007  1681.40  270.682  127.825   9.0367  118.090   9.7954 9.734428 13.32712 
1 1 1   11   15    5 o  113.146   6.1129  1524.58  162.718  1580.50  230.163  1468.70  230.072  114.744   8.5561  110.515   8.8914 4.229294 12.33953 
1 1 1   11   15    6 o   53.418   2.9413  338.380   36.959  413.400   52.380  264.000   52.156   58.986   3.7805   46.963   4.7692 12.02269 6.085852 
1 1 1   11   15    7 o   35.961   2.3321  153.458   19.697  166.700   27.900  140.300   27.811   37.410   3.1888   34.263   3.4861 3.147255 4.724517 
1 1 1   11   15    8 o   28.025   1.9273   93.223   12.677  113.900   18.006   72.900   17.851   30.945   2.4851   24.630   3.1407 6.314310 4.004918 
1 1 1   11   15    9 o  187.283   9.9975  4220.42  440.534  4101.20  622.141  4340.30  623.882  182.719   14.540  188.192   14.143 -5.473312 20.28323 
1 1 1   11   15   10 o   94.365   5.0816  1058.93  112.817  1168.20  159.669  950.000  159.426   98.845   6.8837   88.945   7.6654 9.900269 10.30262 
1 1 1   11   15   11 o  190.846   10.023  4385.25  450.104  4809.20  637.074  3962.70  636.015  198.255   13.692  179.156   15.177 19.09923 20.44031 
1 1 1   11   15   12 o   78.109   4.1875  724.582   76.954  808.400  109.005  641.300  108.656   82.329   5.6410   73.174   6.3514 9.154900 8.494779 
1 1 1   11   15   13 o   27.031   1.9653   86.788   12.459  100.900   17.658   72.800   17.581   29.100   2.5970   24.617   3.0926 4.482889 4.038396 
1 1 1   11   15   14 o  226.368   12.195  6236.81  649.463  6129.00  917.031  6345.30  919.934  220.771   17.740  224.863   17.462 -4.092209 24.89268 
1 1 1   11   15   15 o   62.253   3.5567  460.211   52.067  452.600   73.450  467.900   73.820   61.546   5.0999   62.594   5.0370 -1.047722 7.167981 
1 1 1   11   15   16 f  100.052   5.5275  1192.97  130.085  1228.20  183.663  1157.50  184.276  101.078   7.7540   98.045   8.0299 3.032951 11.16260 
1 1 1   11   15   17 o  138.463   7.6481  2300.31  249.094  2502.50  351.960  2097.40  352.585  143.464   10.461  130.865   11.527 12.59883 15.56673 
1 1 1   11   15   18 f   98.515   5.4757  1157.84  126.878  1214.70  179.205  1100.70  179.661  100.439   7.6125   95.472   8.0442 4.967224 11.07512 
1 1 1   11   15   19 o   53.560   3.0347  340.637   38.223  310.600   53.867  371.100   54.247   50.950   4.5244   55.780   4.1482 -4.830055 6.138200 
1 1 1   11   15   20 f  109.499   5.9854  1435.57  154.177  1461.60  217.959  1409.50  218.119  109.734   8.4771  107.690   8.6504 2.044777 12.11165 
1 1 1   11   15   21 o   28.499   2.0668   96.549   13.815   98.300   19.545   94.800   19.529   28.662   2.9290   28.134   2.9851 0.5278683 4.182075 
1 1 1   11   15   22 o  126.458   6.9137  1930.96  205.670  2093.50  290.848  1768.40  290.875  130.424   9.5093  119.325   10.428 11.09875 14.11271 
1 1 1   11   15   23 f   97.690   5.3088  1145.45  122.003  1283.20  172.599  1007.90  172.477  102.745   7.1587   90.609   8.1483 12.13593 10.84629 
1 1 1   11   15   24 o   44.186   2.6944  232.316   27.979  256.300   39.596  208.400   39.541   46.275   3.6533   41.623   4.0752 4.652149 5.473071 
1 1 1   11   15   25 o   64.892   3.7101  503.292   56.615  514.700   80.096  491.900   80.037   65.236   5.2438   63.729   5.3685 1.507027 7.504512 
1 1 1   11   15   26 o   21.704   1.8368   56.153   9.3254   49.200   13.191   63.100   13.185   20.156   2.8510   22.934   2.4739 -2.777567 3.774654 
1 1 1   11   15   27 o   50.281   3.0184  301.903   35.672  299.300   50.481  304.500   50.414   49.765   4.3392   50.210   4.2933 -0.4454575 6.104218 
1 1 1   11   15   28 o  113.936   6.3677  1597.25  170.632  1712.90  241.314  1481.60  241.307  115.828   8.8906  106.971   9.6571 8.857109 13.12643 
1 1 1   11   15   29 o   32.049   2.0135  122.265   15.161  144.500   21.531  100.400   21.351   34.757   2.6432   28.836   3.1890 5.921373 4.141981 
1 1 1   11   15   30 o   33.923   2.1477  137.133   17.115  154.300   24.287  120.200   24.122   35.864   2.8925   31.545   3.2865 4.318331 4.378083 
1 1 1   11   15   31 o   25.848   2.0460   79.791   12.386   87.000   17.409   72.400   17.627   26.873   2.7838   24.420   3.1288 2.453728 4.187904 
1 1 1   11   15   32 o   25.079   2.0007   75.156   11.750   80.300   16.528   69.900   16.706   25.797   2.7559   23.994   3.0151 1.802214 4.084868 
1 1 1   11   15   33 o   89.298   5.1977  985.350  109.128  1030.10  153.988  940.200  154.674   89.356   7.3635   84.914   7.8012 4.442513 10.72755 
1 1 1   11   15   34 o   50.847   3.0249  311.703   36.155  295.200   50.982  328.400   51.282   48.887   4.4656   51.692   4.2385 -2.804939 6.156797 
1 1 1   11   15   35 o   67.444   3.8982  557.463   61.818  538.100   87.229  577.000   87.620   64.889   5.7524   67.375   5.5569 -2.486397 7.998092 
1 1 1   11   15   36 o   30.282   2.1770  110.207   15.463  117.000   21.856  103.400   21.879   30.958   3.0285   29.014   3.2493 1.944353 4.441833 
1 1 1   11   15   37 o   22.850   1.8977   62.739   10.147   61.500   14.288   64.000   14.413   22.408   2.7586   22.875   2.7217 -0.4674282 3.875217 
1 1 1   11   15   38 o   7.8203   1.7053   7.5713   3.0603   5.9000   4.2338   9.4000   4.4287   7.0706   2.2516   8.6852   2.1666 -1.614670 3.124707 
1 1 1   11   15   39 o   14.984   1.7344   27.147   6.0235   26.900   8.4686   27.400   8.5694   14.730   2.5256   14.868   2.5316 -0.1376467 3.575990 
1 1 1   11   15   40 o   16.731   1.7818   33.824   6.9312   39.400   9.7386   28.100   9.8670   17.931   2.3572   14.950   2.8997 2.981111 3.736934 
1 1 1   11   15   41 o   21.797   1.8974   57.342   9.6684   66.500   13.642   48.100   13.704   23.303   2.5194   19.601   3.0610 3.702133 3.964437 
1 1 1   11   15   42 o   40.675   2.3253  200.884   22.241  292.100   31.561  110.900   31.347   48.813   2.7493   28.890   4.7610 19.92364 5.497767 
1 1 1   11   15   43 f   35.125   2.4088  150.870   19.859  181.800   28.076  119.900   28.094   38.125   3.1468   30.380   4.0146 7.744972 5.100898 
1 1 1   11   15   44 o   44.237   4.2624  258.400   43.974  258.400   43.974   0.0000   0.0000   44.237   4.2624  ?   ?  0.000000 4.262444 
1 1 1   11   15   45 o   3.0171   1.3416  -0.7000   1.9197  -0.7000   1.9197   0.0000   0.0000   3.0171   1.3416  ?   ?  0.000000 1.341640 
1 1 1   11   15   46 o   13.247   2.5385   22.400   7.6518   22.400   7.6518   0.0000   0.0000   13.247   2.5385  ?   ?  0.000000 2.538502 
1 1 1   11   15   47 o   33.304   3.5000  145.400   27.114  145.400   27.114   0.0000   0.0000   33.304   3.5000  ?   ?  0.000000 3.500046 
1 1 1   11   15   48 f   29.734   3.2845  115.900   22.676  115.900   22.676   0.0000   0.0000   29.734   3.2845  ?   ?  0.000000 3.284462 
1 1 1   11   15   49 o   24.903   3.0289   81.700   17.444   81.700   17.444   0.0000   0.0000   24.903   3.0289  ?   ?  0.000000 3.028858 
1 1 1   11   15   50 o   8.5865   2.5845   9.8000   5.6694   9.8000   5.6694   0.0000   0.0000   8.5865   2.5845  ?   ?  0.000000 2.584539 
1 1 1   11   15   51 o   9.1079   2.8261   11.600   6.7125   11.600   6.7125   0.0000   0.0000   9.1079   2.8261  ?   ?  0.000000 2.826147 
1 1 1   11   15   52 o  ?   ?  -10.4000   2.1996 -10.4000   2.1996   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   15   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   15   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   16    0 f   6.2338   2.6372   6.5000   3.9270   6.5000   3.9270   6.5000   3.9270   6.2338   2.6372   6.2338   2.6372 0.000000 0.000000 
1 1 1   11   16    1 o  119.754   6.4644  1709.07  182.126  1749.30  257.648  1668.90  257.482  120.615   9.1134  117.742   9.3375 2.873367 13.04769 
1 1 1   11   16    2 o  111.486   5.8901  1479.47  154.513  1648.60  218.698  1310.90  218.331  117.330   7.9403  104.353   8.9468 12.97719 11.96222 
1 1 1   11   16    3 o  169.048   9.0122  3426.23  358.455  3195.30  506.744  3657.50  507.120  161.751   13.388  173.496   12.461 -11.74588 18.28961 
1 1 1   11   16    4 o   62.537   3.5967  464.220   52.890  537.900   74.788  390.500   74.808   67.212   4.7426   57.096   5.6215 10.11618 7.354844 
1 1 1   11   16    5 o  183.278   8.7806  4014.83  380.010  4979.10  538.332  3057.10  536.503  203.013   11.274  157.657   14.576 45.35533 18.42724 
1 1 1   11   16    6 o  200.271   10.291  4828.29  485.037  5622.50  686.576  4037.00  685.317  214.647   13.616  180.473   16.256 34.17400 21.20479 
1 1 1   11   16    7 f   47.654   2.6887  269.286   30.131  325.000   42.714  214.100   42.511   52.299   3.4786   42.301   4.3163 9.997761 5.543537 
1 1 1   11   16    8 o  159.266   7.5395  3023.09  283.548  3792.90  401.787  2259.30  400.212  177.630   9.6147  136.017   12.604 41.61278 15.85233 
1 1 1   11   16    9 o   82.421   4.3879  806.913   85.092  933.600  120.451  680.700  120.225   88.487   5.7966   75.332   6.8329 13.15450 8.960410 
1 1 1   11   16   10 o  222.463   11.014  5964.26  578.574  7703.40  819.217  4233.50  817.240  250.991   13.876  182.868   19.213 68.12305 23.69977 
1 1 1   11   16   11 o  233.493   12.653  6636.18  695.053  6504.20  982.894  6768.20  983.013  227.361   18.467  232.257   18.066 -4.896225 25.83426 
1 1 1   11   16   12 o   18.184   1.6948   39.398   7.1935   45.300   10.264   33.700   10.085   19.446   2.2784   16.679   2.6491 2.766695 3.494116 
1 1 1   11   16   13 o  127.947   6.9836  1956.46  210.196  2074.10  297.060  1838.50  297.466  131.039   9.6685  123.133   10.326 7.906052 14.14585 
1 1 1   11   16   14 o   70.857   3.9854  596.538   66.412  630.600   93.937  562.500   93.904   72.656   5.5164   68.543   5.8580 4.112572 8.046593 
1 1 1   11   16   15 f  249.820   13.818  7681.77  811.966  7984.30  1147.31  7378.20  1149.28  249.650   19.620  239.034   20.561 10.61618 28.42037 
1 1 1   11   16   16 o  242.398   13.757  7254.97  784.190  8242.50  1108.19  6264.50  1109.84  253.910   18.613  218.110   21.842 35.80048 28.69699 
1 1 1   11   16   17 o  146.749   8.0415  2590.33  277.599  3062.20  392.488  2118.00  392.682  158.577   10.542  130.743   12.887 27.83356 16.64914 
1 1 1   11   16   18 o  128.037   7.1622  1968.39  215.676  2159.40  304.627  1776.40  305.399  133.199   9.7530  120.302   10.868 12.89668 14.60248 
1 1 1   11   16   19 o  131.444   7.3871  2080.18  228.356  2252.20  322.407  1907.00  323.485  135.654   10.138  124.310   11.138 11.34323 15.06129 
1 1 1   11   16   20 o   37.688   2.4390  168.751   21.590  167.900   30.560  169.600   30.505   37.469   3.4943   37.663   3.4690 -0.1942558 4.923832 
1 1 1   11   16   21 o   12.670   1.6232   19.283   4.7447   22.700   6.7264   15.900   6.6937   13.688   2.1520   11.366   2.5560 2.322573 3.341307 
1 1 1   11   16   22 o   53.339   3.0756  338.514   38.574  384.000   54.604  293.200   54.501   56.660   4.1091   49.354   4.7346 7.305698 6.269086 
1 1 1   11   16   23 f  101.335   5.5957  1236.71  133.381  1255.10  188.555  1218.30  188.702  101.085   7.9638   99.518   8.1003 1.567451 11.35942 
1 1 1   11   16   24 o   90.863   5.0425  993.300  107.767  1066.20  152.406  920.400  152.406   93.377   6.9619   86.464   7.5400 6.913681 10.26258 
1 1 1   11   16   25 o   76.214   4.2873  696.947   76.844  707.600  108.687  686.300  108.661   76.185   6.0925   74.984   6.1922 1.201012 8.686890 
1 1 1   11   16   26 o   35.498   2.2850  150.027   19.052  167.100   27.001  133.100   26.885   37.350   3.0892   33.235   3.4772 4.114204 4.651245 
1 1 1   11   16   27 o   69.536   3.9580  581.044   64.722  575.100   91.484  587.000   91.578   68.541   5.7042   69.274   5.6474 -0.7336502 8.026914 
1 1 1   11   16   28 o   55.061   3.1564  362.731   40.868  407.800   57.872  317.900   57.720   58.092   4.2483   51.070   4.8442 7.021969 6.443202 
1 1 1   11   16   29 o   74.232   4.2197  665.554   73.660  696.300  104.164  634.800  104.178   75.131   5.9193   71.554   6.2278 3.577133 8.592063 
1 1 1   11   16   30 o   34.971   2.3549  146.018   19.333  141.900   27.401  150.100   27.282   34.257   3.4335   35.269   3.3147 -1.012215 4.772441 
1 1 1   11   16   31 o   59.552   3.3153  426.164   46.435  479.000   65.754  373.600   65.585   62.711   4.4696   55.086   5.0999 7.625198 6.781322 
1 1 1   11   16   32 o   13.734   1.6889   22.700   5.3618   22.800   7.5895   22.600   7.5761   13.632   2.4476   13.570   2.4547 0.6280613E-01 3.466472 
1 1 1   11   16   33 o   49.516   3.0544  295.331   35.539  302.700   49.990  287.800   50.533   49.656   4.3060   48.335   4.4783 1.320602 6.212640 
1 1 1   11   16   34 o   34.922   2.3146  146.226   18.979  138.300   26.717  154.300   26.966   33.657   3.4086   35.623   3.2411 -1.965221 4.703542 
1 1 1   11   16   35 o   24.073   1.8667   69.423   10.529   58.300   14.774   80.900   15.008   21.802   2.9451   25.863   2.4881 -4.061049 3.855370 
1 1 1   11   16   36 o   30.409   2.1808  111.200   15.556  111.200   21.932  111.200   22.067   30.125   3.1288   30.118   3.1494 0.6845474E-02 4.439402 
1 1 1   11   16   37 o   73.676   4.4444  683.659   76.960  709.700  108.509  657.300  109.171   72.728   6.3828   69.516   6.7350 3.211685 9.279031 
1 1 1   11   16   38 o   14.605   1.6850   25.765   5.7046   33.200   8.0865   18.400   8.0486   16.508   2.1237   12.076   2.8656 4.432615 3.566780 
1 1 1   11   16   39 o   24.565   1.9582   72.700   11.264   88.700   15.930   56.700   15.930   26.981   2.5300   21.278   3.2757 5.703014 4.138952 
1 1 1   11   16   40 o   6.8644   1.7305   5.8464   2.8042   6.0000   4.0144   5.7000   3.9187   7.0666   2.1844   6.9097   2.1619 0.1569171 3.073307 
1 1 1   11   16   41 o   28.483   2.0507   97.971   13.701  125.600   19.421   70.600   19.330   32.068   2.5867   23.596   3.5817 8.471495 4.418134 
1 1 1   11   16   42 o   43.570   2.8601  234.156   29.263  275.800   41.331  192.300   41.436   46.567   3.7916   38.116   4.7035 8.451313 6.041433 
1 1 1   11   16   43 o   16.965   1.8005   34.977   7.1025   45.200   10.007   24.600   10.082   19.169   2.2538   13.792   3.1630 5.376442 3.883886 
1 1 1   11   16   44 o   22.201   2.7861   61.900   14.285   61.900   14.285   0.0000   0.0000   22.201   2.7861  ?   ?  0.000000 2.786133 
1 1 1   11   16   45 o   14.946   2.5498   28.300   8.6761   28.300   8.6761   0.0000   0.0000   14.946   2.5498  ?   ?  0.000000 2.549798 
1 1 1   11   16   46 o   7.3033   2.2330   6.6000   4.2083   6.6000   4.2083   0.0000   0.0000   7.3033   2.2330  ?   ?  0.000000 2.233022 
1 1 1   11   16   47 o   17.342   2.6175   38.300   10.385   38.300   10.385   0.0000   0.0000   17.342   2.6175  ?   ?  0.000000 2.617496 
1 1 1   11   16   48 o   7.9782   2.3296   8.1000   4.6628   8.1000   4.6628   0.0000   0.0000   7.9782   2.3296  ?   ?  0.000000 2.329644 
1 1 1   11   16   49 o   15.149   2.6020   30.000   8.9726   30.000   8.9726   0.0000   0.0000   15.149   2.6020  ?   ?  0.000000 2.602019 
1 1 1   11   16   50 o   19.994   2.9418   54.600   13.474   54.600   13.474   0.0000   0.0000   19.994   2.9418  ?   ?  0.000000 2.941819 
1 1 1   11   16   51 o   12.664   2.8365   22.700   8.2715   22.700   8.2715   0.0000   0.0000   12.664   2.8365  ?   ?  0.000000 2.836517 
1 1 1   11   16   52 o   9.7778   3.0056   14.200   7.6124   14.200   7.6124   0.0000   0.0000   9.7778   3.0056  ?   ?  0.000000 3.005627 
1 1 1   11   16   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   17    0 o   59.717   5.0134  430.700   69.550  430.700   69.550  430.700   69.550   59.717   5.0134   59.717   5.0134 0.000000 0.000000 
1 1 1   11   17    1 o  165.405   7.6245  3260.26  297.798  4130.90  422.109  2397.50  420.196  185.424   9.6740  140.121   12.842 45.30298 16.07830 
1 1 1   11   17    2 o  117.985   6.3795  1659.05  177.076  1679.00  250.447  1639.10  250.400  118.144   9.0459  116.696   9.1605 1.447731 12.87416 
1 1 1   11   17    3 o  115.594   6.0979  1591.42  165.859  1783.50  234.762  1400.00  234.359  121.979   8.1981  107.758   9.3013 14.22005 12.39853 
1 1 1   11   17    4 o   84.646   4.6417  851.438   92.424  909.600  130.777  793.400  130.637   87.253   6.3917   81.381   6.8621 5.872887 9.377754 
1 1 1   11   17    5 o  152.225   7.3900  2760.45  265.640  3421.80  376.287  2103.40  375.061  168.744   9.4818  131.344   12.234 37.40053 15.47793 
1 1 1   11   17    6 o   66.517   3.8118  525.356   59.623  591.700   84.284  458.900   84.355   70.458   5.1003   61.899   5.8403 8.559742 7.753816 
1 1 1   11   17    7 o  234.255   9.7261  6581.77  538.009  9011.60  763.397  4184.00  758.346  273.081   11.839  182.730   17.801 90.35069 21.37819 
1 1 1   11   17    8 o  255.237   11.829  7874.13  712.972 10121.50  1010.31  5644.60  1006.29  287.051   14.957  210.495   20.505 76.55675 25.38071 
1 1 1   11   17    9 o   22.701   1.7874   61.254   9.5039   75.300   13.487   47.400   13.394   25.138   2.2975   19.805   2.9544 5.332726 3.742635 
1 1 1   11   17   10 o  212.827   10.306  5449.60  517.915  6712.00  733.639  4195.40  731.252  234.400   13.309  183.094   17.112 51.30508 21.67838 
1 1 1   11   17   11 o   54.646   3.0450  354.280   39.136  413.300   55.475  295.800   55.220   58.942   4.0096   49.724   4.7612 9.218193 6.224597 
1 1 1   11   17   12 o  188.568   10.206  4295.15  452.746  4928.70  640.257  3661.50  640.303  200.315   13.616  171.236   16.022 29.07930 21.02618 
1 1 1   11   17   13 o   75.579   4.2310  678.950   75.207  729.500  106.358  628.400  106.358   78.129   5.8064   72.402   6.2832 5.727089 8.555342 
1 1 1   11   17   14 o   51.113   2.9164  310.010   35.054  377.300   49.663  243.200   49.486   56.322   3.7557   45.036   4.7236 11.28584 6.034735 
1 1 1   11   17   15 o  186.964   10.147  4236.06  446.309  4242.90  630.602  4229.20  631.753  184.628   14.583  184.293   14.638 0.3347626 20.66204 
1 1 1   11   17   16 o   43.607   2.6890  225.767   27.554  218.900   38.875  232.700   39.059   42.804   3.8886   44.157   3.7825 -1.352402 5.424776 
1 1 1   11   17   17 o   63.938   3.6921  486.056   55.506  499.500   78.336  472.500   78.660   64.604   5.1785   62.793   5.3562 1.811768 7.450205 
1 1 1   11   17   18 o  180.967   10.220  4001.21  434.964  4595.40  614.690  3405.30  615.574  191.485   13.685  162.802   16.229 28.68346 21.22827 
1 1 1   11   17   19 o   47.527   2.8671  268.427   32.026  261.400   45.219  275.500   45.366   46.733   4.1405   48.001   4.0399 -1.268368 5.784851 
1 1 1   11   17   20 o   29.471   2.1087  103.250   14.578  101.900   20.614  104.600   20.619   29.169   3.0373   29.562   2.9951 -0.3936024 4.265676 
1 1 1   11   17   21 o   93.194   5.0796  1040.51  111.361  999.300  157.309  1081.90  157.667   90.584   7.4193   94.384   7.1268 -3.800087 10.28775 
1 1 1   11   17   22 o   39.348   2.4642  184.105   22.781  214.800   32.241  153.500   32.194   42.413   3.2438   35.709   3.8804 6.703709 5.057642 
1 1 1   11   17   23 o   47.168   2.8574  264.942   31.676  284.700   44.805  245.200   44.787   48.724   3.9277   45.131   4.2527 3.592937 5.788969 
1 1 1   11   17   24 o   82.154   4.5762  810.869   88.424  879.000  125.079  742.800  125.022   84.913   6.2826   77.776   6.8783 7.137810 9.315736 
1 1 1   11   17   25 o   61.280   3.5150  449.114   50.650  533.900   71.645  364.400   71.615   66.546   4.5874   54.609   5.6347 11.93755 7.265916 
1 1 1   11   17   26 o   44.829   2.7633  239.801   29.109  243.900   41.164  235.700   41.169   44.977   3.9149   44.192   3.9881 0.7854462 5.588500 
1 1 1   11   17   27 o   54.378   3.1840  353.761   40.706  398.000   57.593  309.600   57.542   57.395   4.2802   50.397   4.8970 6.997868 6.503918 
1 1 1   11   17   28 o   49.508   2.9855  293.202   34.740  306.200   49.125  280.200   49.134   50.292   4.1743   48.035   4.3799 2.257439 6.050478 
1 1 1   11   17   29 o   92.852   5.1588  1052.62  112.665  1162.00  159.388  943.400  159.278   96.214   7.0648   85.984   7.9342 10.22967 10.62369 
1 1 1   11   17   30 o   64.529   3.7321  501.955   56.626  531.700   80.074  472.200   80.087   65.799   5.1959   61.820   5.5451 3.978592 7.599036 
1 1 1   11   17   31 o   21.533   1.8735   55.432   9.4314   51.900   13.399   58.900   13.278   20.664   2.8197   22.081   2.5961 -1.417074 3.832793 
1 1 1   11   17   32 o   78.278   4.3279  747.550   79.687  798.000  112.920  697.500  112.470   79.688   6.0459   74.138   6.4898 5.550415 8.869679 
1 1 1   11   17   33 o   35.034   2.1821  146.804   17.962  166.600   25.497  127.300   25.309   37.146   2.9306   32.320   3.3656 4.826366 4.462686 
1 1 1   11   17   34 o   12.185   1.7670   18.015   4.9359   24.100   6.8901   11.600   7.0743   14.058   2.1434   9.7410   2.8767 4.317021 3.587431 
1 1 1   11   17   35 o   29.599   2.1541  105.267   14.953  106.700   21.023  103.800   21.272   29.546   3.0574   29.109   3.1446 0.4366665 4.385923 
1 1 1   11   17   36 f   22.089   1.9900   58.747   10.268   70.500   14.403   46.600   14.643   24.069   2.5742   19.298   3.3338 4.770378 4.211967 
1 1 1   11   17   37 o   13.445   1.7087   21.886   5.3023   23.300   7.4061   20.400   7.5947   13.735   2.3691   12.780   2.6050 0.9547443 3.521204 
1 1 1   11   17   38 o   17.194   1.7693   35.657   7.0810   34.700   9.8039   36.700   10.238   16.770   2.5565   17.246   2.5944 -0.4758282 3.642359 
1 1 1   11   17   39 o   18.743   2.6065   43.300   11.224   43.300   11.224   0.0000   0.0000   18.743   2.6065  ?   ?  0.000000 2.606503 
1 1 1   11   17   40 o   26.501   2.9560   86.800   18.183   86.800   18.183   0.0000   0.0000   26.501   2.9560  ?   ?  0.000000 2.956017 
1 1 1   11   17   41 o   49.697   4.6004  321.400   53.375  321.400   53.375   0.0000   0.0000   49.697   4.6004  ?   ?  0.000000 4.600444 
1 1 1   11   17   42 o   17.495   1.7888   37.100   7.2858   37.100   10.207   37.100   10.403   17.259   2.5839   17.240   2.6395 0.1891327E-01 3.693734 
1 1 1   11   17   43 o   24.143   1.9434   70.792   10.985   84.500   15.569   57.200   15.503   26.137   2.5552   21.180   3.1995 4.957710 4.094618 
1 1 1   11   17   44 o   24.113   2.8734   73.400   16.039   73.400   16.039   0.0000   0.0000   24.113   2.8734  ?   ?  0.000000 2.873438 
1 1 1   11   17   45 o   22.529   2.7973   64.300   14.562   64.300   14.562   0.0000   0.0000   22.529   2.7973  ?   ?  0.000000 2.797337 
1 1 1   11   17   46 o   3.2341   1.3972  -0.2000   1.9522  -0.2000   1.9522   0.0000   0.0000   3.2341   1.3972  ?   ?  0.000000 1.397226 
1 1 1   11   17   47 o   36.306   3.7757  176.800   31.896  176.800   31.896   0.0000   0.0000   36.306   3.7757  ?   ?  0.000000 3.775693 
1 1 1   11   17   48 o   8.3586   2.3552   9.0000   4.8477   9.0000   4.8477   0.0000   0.0000   8.3586   2.3552  ?   ?  0.000000 2.355200 
1 1 1   11   17   49 o   29.263   3.4870  119.000   23.621  119.000   23.621   0.0000   0.0000   29.263   3.4870  ?   ?  0.000000 3.487028 
1 1 1   11   17   50 o   18.059   2.8387   44.700   11.706   44.700   11.706   0.0000   0.0000   18.059   2.8387  ?   ?  0.000000 2.838666 
1 1 1   11   17   51 o   26.644   3.5007  106.400   21.492  106.400   21.492   0.0000   0.0000   26.644   3.5007  ?   ?  0.000000 3.500667 
1 1 1   11   17   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   17   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   18    0 o  115.196   9.0527  1605.90  242.753  1605.90  242.753  1605.90  242.753  115.196   9.0527  115.196   9.0527 0.000000 0.000000 
1 1 1   11   18    1 o   19.178   1.7932   43.828   8.0266   47.000   11.302   40.600   11.401   19.788   2.4727   18.335   2.7155 1.453550 3.672644 
1 1 1   11   18    2 o  231.919   12.209  6523.57  666.237  7297.60  942.799  5751.50  941.604  242.687   16.550  213.840   18.840 28.84724 25.07700 
1 1 1   11   18    3 o   74.072   4.0748  651.533   70.998  700.700  100.527  602.600  100.287   76.637   5.5936   70.974   6.0414 5.663246 8.233251 
1 1 1   11   18    4 o  182.084   9.6269  3985.60  412.453  4403.20  583.613  3568.90  582.981  190.007   13.087  170.281   14.641 19.72633 19.63766 
1 1 1   11   18    5 o   58.619   3.3965  407.853   46.813  383.000   66.209  432.700   66.200   56.618   5.0037   60.246   4.6903 -3.628357 6.858298 
1 1 1   11   18    6 o  190.650   10.225  4380.18  458.657  4157.90  648.465  4602.70  648.812  183.563   15.094  193.610   14.293 -10.04671 20.78712 
1 1 1   11   18    7 o  173.505   9.5862  3621.79  391.232  4036.10  552.728  3205.80  553.843  181.823   12.958  161.166   14.715 20.65733 19.60767 
1 1 1   11   18    8 o   49.999   2.9034  296.596   34.131  379.800   48.329  213.800   48.210   56.533   3.6396   42.178   4.9337 14.35514 6.130869 
1 1 1   11   18    9 o   99.546   4.6636  1174.68  109.624  1502.60  155.467  850.400  154.601  112.303   5.8830   84.031   7.8834 28.27180 9.836581 
1 1 1   11   18   10 o   87.362   4.7460  907.643   97.539  985.100  138.036  830.400  137.846   90.752   6.4840   83.172   7.0863 7.580032 9.605067 
1 1 1   11   18   11 o  128.269   6.7693  1965.38  204.309  2145.50  289.232  1786.00  288.641  133.383   9.2399  121.363   10.165 12.01949 13.73729 
1 1 1   11   18   12 o  137.931   7.4094  2277.65  240.443  2233.70  339.463  2321.90  340.615  135.586   10.689  138.317   10.507 -2.731110 14.98878 
1 1 1   11   18   13 o  135.335   7.3007  2193.75  232.448  2156.50  328.312  2231.20  329.153  133.162   10.527  135.521   10.364 -2.359055 14.77264 
1 1 1   11   18   14 o   45.518   2.7489  245.949   29.408  220.400   41.509  271.700   41.672   42.922   4.1471   47.750   3.7252 -4.828114 5.574527 
1 1 1   11   18   15 f  126.643   6.8465  1921.32  203.984  2144.60  288.526  1698.20  288.428  133.054   9.2405  117.891   10.470 15.16270 13.96438 
1 1 1   11   18   16 o  196.325   10.875  4712.56  502.187  4941.10  709.337  4482.90  711.066  197.780   15.307  187.605   16.210 10.17473 22.29557 
1 1 1   11   18   17 o  158.183   8.6630  3031.11  322.356  3375.70  455.775  2686.20  455.985  165.233   11.758  146.360   13.340 18.87306 17.78235 
1 1 1   11   18   18 o   60.754   3.4406  438.986   49.156  413.300   69.365  464.900   69.671   58.691   5.0543   62.324   4.7704 -3.632069 6.949956 
1 1 1   11   18   19 o  118.202   6.5791  1682.62  182.906  1746.40  258.129  1618.30  259.211  119.314   9.2338  114.624   9.6669 4.689705 13.36827 
1 1 1   11   18   20 o   86.310   4.7927  891.358   97.296  946.300  137.587  836.400  137.607   88.412   6.6388   82.943   7.0941 5.469109 9.715923 
1 1 1   11   18   21 o   78.719   4.2887  740.790   79.420  821.600  112.463  660.400  112.170   82.501   5.8099   73.709   6.5116 8.792046 8.726746 
1 1 1   11   18   22 o   71.536   4.0354  611.937   67.889  605.000   95.920  618.900   96.099   70.656   5.8003   71.486   5.7413 -0.8302841 8.161229 
1 1 1   11   18   23 o   44.234   2.7062  233.025   28.131  252.800   39.808  213.300   39.758   45.914   3.7032   42.082   4.0510 3.831909 5.488537 
1 1 1   11   18   24 o   57.883   3.3556  400.277   45.669  434.600   64.606  366.000   64.564   60.023   4.5931   54.933   5.0333 5.090565 6.813991 
1 1 1   11   18   25 o   66.410   3.7757  528.821   58.965  514.200   83.307  543.500   83.473   64.934   5.4844   66.826   5.3342 -1.892326 7.650608 
1 1 1   11   18   26 o  129.052   7.2355  2069.74  219.604  2254.50  310.578  1885.00  310.554  131.707   10.062  119.138   11.169 12.56889 15.03336 
1 1 1   11   18   27 o   51.156   3.0816  313.123   37.051  322.300   52.334  303.900   52.463   51.574   4.3375   50.025   4.4890 1.549347 6.242164 
1 1 1   11   18   28 o   54.103   3.1562  350.636   40.147  396.300   56.816  305.100   56.736   57.211   4.2357   49.950   4.8722 7.260643 6.455967 
1 1 1   11   18   29 o   35.306   2.3123  148.764   19.171  163.400   27.145  134.200   27.079   36.847   3.1501   33.289   3.4970 3.557705 4.706614 
1 1 1   11   18   30 o   42.616   2.6677  217.346   26.711  208.000   37.768  226.700   37.782   41.367   3.9128   43.254   3.7358 -1.887264 5.409832 
1 1 1   11   18   31 o   39.080   2.5217  182.806   23.146  176.400   32.749  189.200   32.718   38.093   3.6869   39.504   3.5452 -1.410980 5.114867 
1 1 1   11   18   32 o   63.239   3.5204  484.191   52.362  542.300   74.152  426.400   73.950   66.265   4.7708   58.341   5.4302 7.924084 7.228253 
1 1 1   11   18   33 o   44.907   2.6743  242.551   28.230  270.200   39.995  215.100   39.851   47.053   3.6276   41.763   4.0936 5.289917 5.469608 
1 1 1   11   18   34 o   28.069   1.8554   94.225   12.228  112.500   17.427   76.500   17.163   30.548   2.4362   25.017   2.9629 5.531185 3.835858 
1 1 1   11   18   35 o   42.680   2.7710  220.603   27.776  247.200   39.206  193.800   39.357   44.739   3.7455   39.296   4.3124 5.443382 5.711880 
1 1 1   11   18   36 o   14.270   1.7453   24.627   5.7583   35.800   8.1157   13.300   8.1714   17.183   2.0400   10.379   3.0981 6.803826 3.709430 
1 1 1   11   18   37 o   39.800   2.6214  192.258   24.499  196.400   34.408  188.000   34.889   39.696   3.7139   38.748   3.8647 0.9480095 5.359970 
1 1 1   11   18   38 o   5.8747   1.7807   4.1466   2.6845   2.7000   3.5047   6.2000   4.1755   5.4398   2.0309   7.1908   2.2286 -1.750977 3.015188 
1 1 1   11   18   39 o   24.243   1.9792   70.890   11.232   80.700   15.852   61.000   15.916   25.671   2.6533   22.120   3.1349 3.551062 4.107011 
1 1 1   11   18   40 o   32.488   2.3467  128.081   17.882  140.600   25.159  115.300   25.420   33.665   3.2035   30.252   3.6310 3.413355 4.842158 
1 1 1   11   18   41 o   26.588   2.0712   85.690   12.902   89.400   18.148   81.900   18.345   26.831   2.9111   25.586   3.0995 1.245218 4.252189 
1 1 1   11   18   42 o   42.657   2.8571  225.466   28.613  260.000   40.368  190.600   40.562   44.995   3.8360   37.794   4.6426 7.201096 6.022391 
1 1 1   11   18   43 o   14.602   1.7585   26.006   5.9415   29.200   8.3311   22.700   8.4758   15.295   2.3844   13.324   2.7837 1.971260 3.665279 
1 1 1   11   18   44 o   16.861   2.6131   35.900   10.067   35.900   10.067   0.0000   0.0000   16.861   2.6131  ?   ?  0.000000 2.613124 
1 1 1   11   18   45 o   22.210   2.8073   62.600   14.395   62.600   14.395   0.0000   0.0000   22.210   2.8073  ?   ?  0.000000 2.807344 
1 1 1   11   18   46 o   45.183   4.5475  284.300   47.860  284.300   47.860   0.0000   0.0000   45.183   4.5475  ?   ?  0.000000 4.547496 
1 1 1   11   18   47 o   27.519   3.1271   98.500   19.960   98.500   19.960   0.0000   0.0000   27.519   3.1271  ?   ?  0.000000 3.127059 
1 1 1   11   18   48 o   9.1550   2.6062   11.000   5.9047   11.000   5.9047   0.0000   0.0000   9.1550   2.6062  ?   ?  0.000000 2.606239 
1 1 1   11   18   49 o   7.1687   2.4814   6.3000   5.1178   6.3000   5.1178   0.0000   0.0000   7.1687   2.4814  ?   ?  0.000000 2.481367 
1 1 1   11   18   50 o   5.2526   2.1132   2.1000   4.0178   2.1000   4.0178   0.0000   0.0000   5.2526   2.1132  ?   ?  0.000000 2.113160 
1 1 1   11   18   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   18   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   18   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   19    0 o  121.631   9.5395  1792.00  270.114  1792.00  270.114  1792.00  270.114  121.631   9.5395  121.631   9.5395 -0.000000 0.000000 
1 1 1   11   19    1 o  179.752   8.9141  3866.95  378.368  3122.60  534.376  4615.30  535.814  159.250   14.365  195.112   11.683 -35.86195 18.51636 
1 1 1   11   19    2 o  122.400   6.6013  1787.22  190.093  1747.20  268.731  1827.30  268.934  120.349   9.5342  123.151   9.3169 -2.801727 13.33060 
1 1 1   11   19    3 o   57.673   3.3228  394.767   45.060  430.200   63.755  359.400   63.695   60.087   4.5266   54.832   4.9734 5.254807 6.724962 
1 1 1   11   19    4 o  139.139   7.4795  2314.65  244.842  2485.90  346.306  2143.50  346.211  143.426   10.294  132.865   11.138 10.56157 15.16592 
1 1 1   11   19    5 o   73.151   3.9147  635.310   67.375  766.900   95.388  504.300   95.177   80.254   5.0593   64.827   6.2969 15.42692 8.077613 
1 1 1   11   19    6 o   77.962   4.2824  722.169   78.535  783.600  111.139  660.900  110.992   81.008   5.8493   74.273   6.3907 6.734924 8.663470 
1 1 1   11   19    7 o  127.028   6.5683  1925.50  196.347  2211.20  278.067  1641.40  277.287  135.621   8.7292  116.365   10.194 19.25596 13.42078 
1 1 1   11   19    8 f  130.927   6.8048  2047.30  209.657  2601.90  296.727  1494.40  296.274  147.173   8.5754  110.550   11.519 36.62225 14.36014 
1 1 1   11   19    9 o  102.136   5.1602  1241.18  124.049  1648.80  175.696  836.000  175.169  117.542   6.3536   83.009   9.0848 34.53291 11.08617 
1 1 1   11   19   10 o  159.312   8.6779  3050.58  325.227  3646.30  459.851  2454.40  460.030  173.182   11.307  140.809   14.022 32.37212 18.01276 
1 1 1   11   19   11 o  156.483   8.4153  2942.77  309.814  3570.20  438.189  2315.60  438.098  171.426   10.881  136.712   13.758 34.71350 17.54059 
1 1 1   11   19   12 o  166.145   8.8332  3325.58  345.305  3958.70  488.536  2693.50  488.134  180.072   11.550  147.114   14.229 32.95796 18.32693 
1 1 1   11   19   13 o  110.926   6.0556  1469.83  158.020  1686.80  223.460  1252.80  223.488  118.350   8.0437  101.522   9.4302 16.82799 12.39476 
1 1 1   11   19   14 o  141.039   7.6984  2391.50  255.421  2594.20  361.091  2188.50  361.350  145.786   10.561  133.392   11.587 12.39365 15.67763 
1 1 1   11   19   15 o  179.712   9.8353  3928.99  415.792  4196.70  587.862  3661.00  588.175  183.274   13.682  170.350   14.768 12.92404 20.13189 
1 1 1   11   19   16 o   59.060   3.4121  414.727   47.384  474.400   67.024  355.100   66.997   63.022   4.5340   54.350   5.2872 8.671906 6.965042 
1 1 1   11   19   17 o   82.941   4.7084  821.211   91.836  913.900  129.728  728.100  130.023   87.134   6.3487   77.504   7.1862 9.629471 9.588888 
1 1 1   11   19   18 o   42.558   2.6307  215.251   26.307  205.400   37.113  225.200   37.296   41.414   3.8388   43.404   3.6734 -1.990482 5.313178 
1 1 1   11   19   19 o   53.040   3.1380  334.803   39.128  336.600   55.296  333.000   55.374   52.971   4.4623   52.679   4.4946 0.2920380 6.333500 
1 1 1   11   19   20 o  111.901   6.1880  1512.21  162.876  1655.80  230.292  1368.50  230.391  116.004   8.4655  104.911   9.3996 11.09208 12.64982 
1 1 1   11   19   21 o  125.414   6.9439  1915.16  204.842  2010.90  289.596  1819.30  289.784  126.686   9.7556  120.059   10.322 6.627556 14.20265 
1 1 1   11   19   22 f  156.492   8.7458  3047.42  321.893  3326.00  455.213  2768.80  455.239  159.793   12.155  144.148   13.533 15.64465 18.19018 
1 1 1   11   19   23 o   53.470   3.1621  341.245   39.748  359.300   56.219  323.200   56.205   54.603   4.3975   51.705   4.6533 2.898079 6.402390 
1 1 1   11   19   24 o  102.755   5.7682  1285.52  139.395  1431.20  197.084  1139.70  197.184  107.091   7.8482   94.767   8.9163 12.32310 11.87839 
1 1 1   11   19   25 o  123.977   7.0039  1902.95  204.204  2003.00  288.650  1802.70  288.927  124.386   9.9096  117.302   10.543 7.084045 14.46943 
1 1 1   11   19   26 o   56.267   3.2453  378.989   42.936  431.500   60.756  326.600   60.686   59.740   4.3364   51.711   5.0337 8.029331 6.643969 
1 1 1   11   19   27 o   40.392   2.5698  194.803   24.384  202.300   34.476  187.300   34.491   40.950   3.6020   39.353   3.7573 1.596836 5.204959 
1 1 1   11   19   28 o   39.688   2.5210  188.133   23.503  207.400   33.254  168.900   33.224   41.485   3.4252   37.311   3.8250 4.174213 5.134465 
1 1 1   11   19   29 o   16.383   1.6854   32.141   6.4271   27.100   9.0811   37.200   9.0975   14.857   2.6874   17.552   2.2465 -2.694828 3.502726 
1 1 1   11   19   30 o   45.829   2.8242  251.802   30.414  255.700   42.999  247.900   43.024   45.834   4.0134   45.100   4.0842 0.7336311 5.726135 
1 1 1   11   19   31 o   34.126   2.2845  139.322   18.303  157.100   25.904  121.600   25.864   36.065   3.0710   31.577   3.5290 4.488617 4.678130 
1 1 1   11   19   32 o   17.215   1.7121   35.537   6.8675   36.800   9.7647   34.300   9.6603   17.387   2.4459   16.760   2.5188 0.6272583 3.511009 
1 1 1   11   19   33 o   41.412   2.6341  206.552   25.624  201.700   36.246  211.400   36.231   40.478   3.8379   41.490   3.7382 -1.011894 5.357559 
1 1 1   11   19   34 o   36.763   2.4081  162.737   20.789  166.600   29.449  158.900   29.352   36.840   3.4245   35.940   3.5031 0.9000397 4.898872 
1 1 1   11   19   35 o   45.520   2.8431  251.508   30.407  247.300   43.043  255.700   42.962   44.464   4.1473   45.269   4.0622 -0.8048897 5.805340 
1 1 1   11   19   36 o   48.401   2.5562  283.347   29.112  344.100   41.413  224.000   40.931   52.924   3.3308   42.188   4.1630 10.73573 5.331465 
1 1 1   11   19   37 o   31.258   2.2148  117.916   16.242  115.800   22.789  120.100   23.154   30.620   3.1990   31.194   3.1882 -0.5730171 4.516401 
1 1 1   11   19   38 o   30.226   2.2471  110.487   15.924  119.600   22.355  101.100   22.688   31.141   3.0805   28.455   3.4470 2.686256 4.622853 
1 1 1   11   19   39 o   38.256   2.5688  178.077   23.071  198.100   32.566  157.900   32.690   39.871   3.4942   35.283   3.9940 4.588413 5.306745 
1 1 1   11   19   40 o   57.165   3.6372  409.957   48.842  474.700   68.937  344.700   69.210   60.132   4.8975   50.000   5.9806 10.13195 7.730016 
1 1 1   11   19   41 o   20.358   1.8369   50.161   8.7357   47.800   12.255   52.600   12.456   19.588   2.7231   20.601   2.6197 -1.013613 3.778667 
1 1 1   11   19   42 o   23.592   1.9792   67.658   10.924   80.600   15.415   54.600   15.484   25.514   2.5947   20.656   3.2844 4.857979 4.185679 
1 1 1   11   19   43 o   7.1433   1.8580   6.3918   3.1638   5.1000   4.1425   8.2000   4.9011   6.6437   2.2340   8.1024   2.3949 -1.458756 3.275064 
1 1 1   11   19   44 o   19.280   2.6483   46.900   11.738   46.900   11.738   0.0000   0.0000   19.280   2.6483  ?   ?  0.000000 2.648258 
1 1 1   11   19   45 o   31.129   3.3277  125.400   24.082  125.400   24.082   0.0000   0.0000   31.129   3.3277  ?   ?  0.000000 3.327738 
1 1 1   11   19   46 o   24.939   2.9616   79.900   17.100   79.900   17.100   0.0000   0.0000   24.939   2.9616  ?   ?  0.000000 2.961599 
1 1 1   11   19   47 o   34.504   3.6846  161.200   29.557  161.200   29.557   0.0000   0.0000   34.504   3.6846  ?   ?  0.000000 3.684629 
1 1 1   11   19   48 o   7.6615   2.5043   7.4000   5.2154   7.4000   5.2154   0.0000   0.0000   7.6615   2.5043  ?   ?  0.000000 2.504318 
1 1 1   11   19   49 o   12.076   2.6944   19.900   7.4880   19.900   7.4880   0.0000   0.0000   12.076   2.6944  ?   ?  0.000000 2.694379 
1 1 1   11   19   50 o   9.3566   2.6974   12.300   6.2869   12.300   6.2869   0.0000   0.0000   9.3566   2.6974  ?   ?  0.000000 2.697382 
1 1 1   11   19   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   19   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   20    0 o   80.680   6.5042  786.300  122.060  786.300  122.060  786.300  122.060   80.680   6.5042   80.680   6.5042 -0.000000 0.000000 
1 1 1   11   20    1 o   93.208   5.0953  1033.67  111.721  992.500  157.936  1074.90  158.058   90.933   7.4199   94.715   7.1191 -3.782089 10.28281 
1 1 1   11   20    2 o  249.207   13.067  7582.50  766.262  6633.20  1082.69  8535.20  1084.63  227.774   20.344  260.914   17.709 -33.13983 26.97204 
1 1 1   11   20    3 o  177.185   9.1619  3774.35  382.021  4344.30  540.781  3206.60  539.739  188.856   12.191  161.175   14.331 27.68100 18.81516 
1 1 1   11   20    4 o   27.928   2.0039   92.633   13.128  115.500   18.592   69.900   18.538   31.154   2.5497   24.076   3.3517 7.077917 4.211240 
1 1 1   11   20    5 o   64.883   3.3125  499.381   50.582  625.900   71.754  374.400   71.316   72.566   4.2055   55.889   5.4741 16.67686 6.903040 
1 1 1   11   20    6 o   58.949   3.3599  412.517   46.576  438.500   65.975  386.700   65.763   60.640   4.6426   56.883   4.9451 3.757145 6.782933 
1 1 1   11   20    7 o  155.326   8.1076  2892.91  296.340  3289.60  419.425  2497.50  418.750  164.691   10.846  142.746   12.551 21.94469 16.58763 
1 1 1   11   20    8 o   66.094   3.2064  516.846   50.043  684.100   71.019  351.900   70.527   75.894   3.9766   54.138   5.5977 21.75592 6.866418 
1 1 1   11   20    9 o  193.650   10.697  4548.78  487.235  5061.50  688.566  4034.60  689.545  202.081   14.527  179.089   16.491 22.99193 21.97644 
1 1 1   11   20   10 o  114.698   5.8070  1568.95  156.766  1979.10  222.083  1161.60  221.321  128.489   7.3501   97.704   9.7219 30.78467 12.18771 
1 1 1   11   20   11 o   57.614   3.4014  394.341   46.069  424.800   65.055  363.700   65.249   59.652   4.6553   55.106   5.0713 4.546177 6.884039 
1 1 1   11   20   12 o  142.132   11.138  2473.20  370.826  2473.20  370.826   0.0000   0.0000  142.132   11.138  ?   ?  0.000000 11.13797 
1 1 1   11   20   13 o  197.011   10.571  4734.52  489.983  5703.70  693.166  3766.60  692.716  213.932   13.795  171.028   17.394 42.90387 22.20065 
1 1 1   11   20   14 o   98.550   5.4127  1160.10  125.478  1295.20  177.450  1025.00  177.454  103.674   7.2949   91.895   8.2662 11.77975 11.02478 
1 1 1   11   20   15 f   52.467   3.0413  327.099   37.518  402.100   53.111  252.400   53.004   58.083   3.8949   45.784   4.9832 12.29957 6.324766 
1 1 1   11   20   16 o  119.887   6.3110  1726.33  178.033  2058.10  251.994  1395.70  251.559  130.174   8.2404  106.307   10.144 23.86674 13.06942 
1 1 1   11   20   17 o  136.939   7.5533  2272.27  243.300  2347.10  343.680  2197.10  344.478  137.459   10.672  132.707   11.094 4.751633 15.39394 
1 1 1   11   20   18 o  103.675   5.7250  1292.09  139.613  1400.10  197.403  1184.00  197.483  107.108   7.8598   98.129   8.6096 8.979195 11.65765 
1 1 1   11   20   19 o   75.346   4.0813  678.078   72.343  779.500  102.446  577.200  102.170   80.459   5.4238   68.919   6.3495 11.54019 8.350615 
1 1 1   11   20   20 o   83.009   4.6215  826.287   90.230  932.200  127.612  720.400  127.596   87.659   6.2051   76.668   7.1297 10.99117 9.451752 
1 1 1   11   20   21 o   16.699   1.6986   33.328   6.6049   31.600   9.2830   35.100   9.3995   16.136   2.5186   17.044   2.4021 -0.9076862 3.480455 
1 1 1   11   20   22 o   41.190   2.5991  202.103   25.150  205.800   35.554  198.400   35.582   41.385   3.6764   40.614   3.7526 0.7714157 5.253407 
1 1 1   11   20   23 o   96.683   5.3894  1133.71  122.552  1164.00  173.293  1103.40  173.335   96.691   7.6523   93.979   7.8836 2.712509 10.98680 
1 1 1   11   20   24 o   25.327   1.9737   76.464   11.711   83.300   16.545   69.600   16.578   26.339   2.6983   24.000   2.9900 2.338470 4.027475 
1 1 1   11   20   25 o   40.151   2.4815  192.215   23.411  221.200   33.158  163.400   33.060   42.931   3.2960   36.735   3.8694 6.195366 5.082838 
1 1 1   11   20   26 o   21.141   1.8284   53.353   9.0379   56.000   12.774   50.700   12.789   21.554   2.5599   20.467   2.7131 1.087372 3.730118 
1 1 1   11   20   27 o   7.0120   1.7754   6.0524   2.9427   2.7000   4.3421   8.9000   4.0019   5.8424   2.2425   8.4927   2.0242 -2.650256 3.020936 
1 1 1   11   20   28 o   74.697   4.2740  676.075   75.074  736.700  106.149  615.400  106.193   77.127   5.8725   70.096   6.4893 7.031097 8.751976 
1 1 1   11   20   29 o   22.598   1.8685   60.999   9.8809   60.800   13.944   61.200   14.003   22.423   2.6871   22.497   2.6893 -0.7412720E-01 3.801738 
1 1 1   11   20   30 o   11.001   1.6312   14.657   4.1089   20.500   5.8326   8.9000   5.7895   12.994   1.9620   8.6130   2.6161 4.380888 3.270087 
1 1 1   11   20   31 o   42.439   2.6814  216.359   26.733  224.300   37.785  208.400   37.826   42.861   3.7717   41.244   3.9315 1.617363 5.448172 
1 1 1   11   20   32 o   42.369   2.6474  216.024   26.355  234.700   37.297  197.400   37.245   43.812   3.6380   40.013   3.9953 3.799473 5.403473 
1 1 1   11   20   33 o   26.429   1.9995   83.781   12.386   75.800   17.496   91.800   17.537   24.870   3.0426   27.490   2.7380 -2.620390 4.093159 
1 1 1   11   20   34 o   30.877   2.1364  114.561   15.481  122.400   21.949  106.800   21.839   31.672   2.9695   29.494   3.1864 2.178011 4.355556 
1 1 1   11   20   35 o   43.072   2.7395  225.116   27.719  217.000   39.238  233.200   39.162   41.635   4.0420   43.271   3.8736 -1.635975 5.598469 
1 1 1   11   20   36 o   23.601   1.8389   66.915   10.167   73.800   14.469   60.200   14.289   24.613   2.5254   22.124   2.7977 2.488569 3.768912 
1 1 1   11   20   37 o   45.956   2.5844  256.130   27.932  307.000   39.607  205.800   39.396   49.867   3.3836   40.305   4.2011 9.562218 5.394229 
1 1 1   11   20   38 o   33.055   2.4288  132.583   18.825  151.700   26.430  112.900   26.819   35.018   3.2328   29.858   3.8967 5.159872 5.063114 
1 1 1   11   20   39 o   24.859   2.0082   74.642   11.688   80.100   16.465   69.100   16.593   25.505   2.7790   23.567   3.0534 1.937277 4.128635 
1 1 1   11   20   40 o   13.891   1.7869   23.494   5.7254   26.900   7.9376   19.800   8.2662   14.728   2.3622   12.471   2.8671 2.257232 3.714856 
1 1 1   11   20   41 o   43.281   2.8178  231.699   28.641  237.200   40.327  226.100   40.685   42.799   4.0380   41.636   4.1953 1.162827 5.822896 
1 1 1   11   20   42 o   9.0293   1.8538   10.172   3.8202   8.0000   5.1624   12.800   5.6796   8.0586   2.4748   10.039   2.4234 -1.980808 3.463728 
1 1 1   11   20   43 o   26.701   2.1390   87.388   13.373   99.600   18.808   74.900   19.019   28.118   2.8730   24.017   3.4529 4.101236 4.491909 
1 1 1   11   20   44 o   19.950   2.6848   50.300   12.327   50.300   12.327   0.0000   0.0000   19.950   2.6848  ?   ?  0.000000 2.684831 
1 1 1   11   20   45 o   32.593   3.4470  138.700   26.127  138.700   26.127   0.0000   0.0000   32.593   3.4470  ?   ?  0.000000 3.447034 
1 1 1   11   20   46 o   31.654   3.4307  132.000   25.232  132.000   25.232   0.0000   0.0000   31.654   3.4307  ?   ?  0.000000 3.430694 
1 1 1   11   20   47 o   6.0667   2.2635   3.7000   4.3522   3.7000   4.3522   0.0000   0.0000   6.0667   2.2635  ?   ?  0.000000 2.263520 
1 1 1   11   20   48 o   16.647   2.8437   37.300   10.777   37.300   10.777   0.0000   0.0000   16.647   2.8437  ?   ?  0.000000 2.843741 
1 1 1   11   20   49 o   16.208   2.8645   36.400   10.562   36.400   10.562   0.0000   0.0000   16.208   2.8645  ?   ?  0.000000 2.864458 
1 1 1   11   20   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   20   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   20   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   21    0 o  199.617   15.666  4900.00  727.981  4900.00  727.981  4900.00  727.981  199.617   15.666  199.617   15.666 -0.000000 0.000000 
1 1 1   11   21    1 o  116.295   6.2788  1613.63  171.785  1533.80  242.840  1693.60  243.040  112.695   9.2059  118.581   8.7412 -5.886383 12.69476 
1 1 1   11   21    2 o  158.783   8.3738  3025.63  312.862  2681.50  442.151  3370.70  442.756  147.855   12.790  166.529   11.327 -18.67366 17.08438 
1 1 1   11   21    3 o   61.263   3.4496  445.573   49.701  491.400   70.385  400.000   70.190   64.207   4.6745   57.822   5.1962 6.385315 6.989367 
1 1 1   11   21    4 o   80.275   4.4609  766.206   84.226  711.500  119.120  820.900  119.108   77.014   6.6143   82.849   6.1318 -5.834595 9.019330 
1 1 1   11   21    5 o  101.381   5.4040  1224.23  128.902  1340.40  182.467  1108.50  182.124  105.713   7.3554   95.915   8.1173 9.797379 10.95412 
1 1 1   11   21    6 o  116.643   6.1148  1623.52  167.836  1807.20  237.636  1440.70  237.078  122.564   8.2589  109.090   9.2919 13.47464 12.43176 
1 1 1   11   21    7 o   70.547   3.9128  591.399   64.927  640.300   91.916  542.700   91.726   73.219   5.3534   67.299   5.8295 5.919861 7.914666 
1 1 1   11   21    8 o  188.025   9.8022  4276.37  433.707  4806.30  614.012  3748.70  612.698  197.458   13.245  173.162   15.136 24.29608 20.11332 
1 1 1   11   21    9 o  148.167   7.6600  2634.95  267.087  3403.00  378.026  1869.40  377.409  167.688   9.5866  122.673   13.239 45.01566 16.34509 
1 1 1   11   21   10 o   77.437   4.3681  713.637   79.547  741.900  112.325  685.200  112.669   78.673   6.0939   75.533   6.3765 3.139297 8.820144 
1 1 1   11   21   11 o   85.569   4.6813  872.151   94.231  1097.50  133.322  647.200  133.204   95.783   5.9237   73.035   7.8467 22.74785 9.831634 
1 1 1   11   21   12 o   51.267   3.0772  312.284   37.080  319.800   52.322  304.700   52.557   51.726   4.3232   50.462   4.4564 1.264271 6.208869 
1 1 1   11   21   13 o   58.119   3.4349  401.702   46.932  430.000   66.253  373.200   66.491   59.955   4.7178   55.763   5.1063 4.191883 6.952146 
1 1 1   11   21   14 o   85.387   4.7979  870.435   96.349  940.000  136.126  800.600  136.390   88.329   6.5735   81.317   7.1765 7.011688 9.732072 
1 1 1   11   21   15 o  143.271   11.422  2557.90  383.198  2557.90  383.198   0.0000   0.0000  143.271   11.422  ?   ?  0.000000 11.42156 
1 1 1   11   21   16 o  127.051   6.9862  1951.23  208.789  2157.30  295.216  1745.00  295.329  132.328   9.5111  118.297   10.688 14.03075 14.30697 
1 1 1   11   21   17 o   25.939   2.0015   80.064   12.165   81.000   17.080   79.100   17.330   25.991   2.8285   25.669   2.9106 0.3221474 4.058614 
1 1 1   11   21   18 o   57.723   3.4608  397.321   46.955  440.200   66.273  354.100   66.537   60.532   4.6727   54.116   5.2739 6.415916 7.046117 
1 1 1   11   21   19 o   40.777   2.4932  197.785   23.891  231.800   33.845  164.000   33.730   44.047   3.2774   36.895   3.9322 7.151985 5.118951 
1 1 1   11   21   20 o  125.792   6.7768  1930.69  200.556  2133.10  283.920  1729.10  283.338  130.436   9.2785  116.505   10.409 13.93061 13.94383 
1 1 1   11   21   21 o  135.811   7.5392  2275.52  240.830  2442.90  340.613  2108.20  340.557  137.973   10.534  127.208   11.460 10.76511 15.56627 
1 1 1   11   21   22 o   12.691   1.6768   19.390   4.9018   21.200   6.8590   17.500   7.0079   13.184   2.2860   11.916   2.5664 1.268655 3.436934 
1 1 1   11   21   23 f   79.099   4.4656  754.361   83.069  767.300  117.426  741.400  117.528   78.952   6.3523   77.538   6.4783 1.414841 9.073025 
1 1 1   11   21   24 o   75.969   4.2934  695.793   76.704  692.400  108.364  699.200  108.590   74.965   6.1765   75.345   6.1572 -0.3793488 8.721314 
1 1 1   11   21   25 o   18.597   1.7223   41.310   7.4774   47.700   10.608   35.000   10.541   19.914   2.2981   16.942   2.7274 2.971914 3.566549 
1 1 1   11   21   26 o   65.024   3.7572  508.912   57.444  531.600   81.216  486.200   81.260   65.867   5.2657   62.857   5.5310 3.010242 7.636695 
1 1 1   11   21   27 o   57.452   3.3749  396.502   45.585  413.600   64.463  379.400   64.472   58.211   4.7306   55.647   4.9583 2.563457 6.853014 
1 1 1   11   21   28 o   45.526   2.8128  248.309   30.091  256.500   42.531  240.100   42.577   45.954   3.9580   44.403   4.1073 1.551670 5.704041 
1 1 1   11   21   29 o   26.587   2.0078   84.443   12.513   83.400   17.638   85.500   17.754   26.257   2.8927   26.593   2.8728 -0.3365154 4.076878 
1 1 1   11   21   30 o   88.368   5.0532  967.292  105.007  1040.10  148.511  894.500  148.495   89.682   7.0701   82.464   7.7155 7.218361 10.46499 
1 1 1   11   21   31 o   16.162   1.6571   31.340   6.2348   37.300   8.9413   25.700   8.6983   17.550   2.2063   14.429   2.6506 3.121677 3.448673 
1 1 1   11   21   32 f   59.250   3.5102  428.450   48.893  429.500   69.149  427.400   69.141   58.310   5.0726   58.157   5.0858 0.1531792 7.183021 
1 1 1   11   21   33 o   55.980   3.3520  382.645   44.107  393.500   62.391  371.800   62.361   55.841   4.7776   54.159   4.9302 1.682079 6.865302 
1 1 1   11   21   34 o   62.197   3.7018  477.510   54.123  456.800   76.560  498.200   76.523   59.278   5.5335   62.192   5.2600 -2.913795 7.634568 
1 1 1   11   21   35 o   9.6530   1.5663   11.370   3.4480   14.200   5.0508   8.9000   4.7185   10.714   2.0713   8.4681   2.3001 2.246406 3.095257 
1 1 1   11   21   36 o   14.581   1.7285   25.708   5.8356   21.600   8.3129   29.700   8.1940   13.117   2.7708   15.559   2.2996 -2.442250 3.600727 
1 1 1   11   21   37 o   21.739   1.8890   56.937   9.6001   54.000   13.665   59.800   13.490   20.903   2.8421   22.079   2.6398 -1.175611 3.878976 
1 1 1   11   21   38 o   16.351   1.6394   32.207   6.2443   35.400   8.9668   29.200   8.7007   16.997   2.2926   15.360   2.4836 1.637102 3.379961 
1 1 1   11   21   39 o   28.481   2.2296   98.464   14.875  114.800   20.872   81.600   21.206   30.473   2.9369   25.331   3.6507 5.142473 4.685371 
1 1 1   11   21   40 o   44.632   2.8300  245.692   29.671  240.700   41.723  250.800   42.203   43.144   4.1465   44.087   4.1009 -0.9425888 5.831870 
1 1 1   11   21   41 o   25.245   2.0197   77.471   11.939   78.400   16.701   76.500   17.073   25.037   2.8771   24.673   2.9916 0.3636322 4.150627 
1 1 1   11   21   42 o   12.567   1.6978   19.327   4.9092   17.500   6.7333   21.400   7.1727   11.726   2.5077   13.023   2.4216 -1.297196 3.486125 
1 1 1   11   21   43 o   9.3733   1.8140   10.963   3.8699   11.100   5.2532   10.800   5.7225   9.3283   2.3778   9.2001   2.5472 0.1281414 3.484521 
1 1 1   11   21   44 o   12.711   2.4971   20.600   7.2279   20.600   7.2279   0.0000   0.0000   12.711   2.4971  ?   ?  0.000000 2.497090 
1 1 1   11   21   45 f   7.3564   2.2752   6.7000   4.3545   6.7000   4.3545   0.0000   0.0000   7.3564   2.2752  ?   ?  0.000000 2.275194 
1 1 1   11   21   46 o   13.435   2.7412   23.600   8.4020   23.600   8.4020   0.0000   0.0000   13.435   2.7412  ?   ?  0.000000 2.741173 
1 1 1   11   21   47 o   7.8454   2.5448   7.8000   5.3892   7.8000   5.3892   0.0000   0.0000   7.8454   2.5448  ?   ?  0.000000 2.544758 
1 1 1   11   21   48 f   15.699   2.9506   33.900   10.536   33.900   10.536   0.0000   0.0000   15.699   2.9506  ?   ?  0.000000 2.950550 
1 1 1   11   21   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   21   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   21   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   22    0 o  244.552   19.459  7478.50  1107.35  7478.50  1107.35  7478.50  1107.35  244.552   19.459  244.552   19.459 0.000000 0.000000 
1 1 1   11   22    1 o  122.022   6.5821  1779.67  188.954  1861.60  267.351  1697.90  267.091  124.102   9.1883  118.351   9.6409 5.751480 13.31813 
1 1 1   11   22    2 o   86.722   4.7678  895.067   97.260  945.500  137.592  844.700  137.502   88.822   6.6073   83.846   7.0091 4.975975 9.632487 
1 1 1   11   22    3 o  189.354   10.133  4341.71  451.444  4577.30  638.896  4106.80  637.981  192.180   14.179  181.462   15.024 10.71896 20.65808 
1 1 1   11   22    4 o  133.375   7.1805  2130.77  225.313  2211.10  318.799  2050.60  318.482  134.953   10.077  129.790   10.481 5.163193 14.53923 
1 1 1   11   22    5 o   44.651   2.7318  236.680   28.665  250.700   40.567  222.700   40.509   45.849   3.7807   43.165   4.0206 2.684868 5.518939 
1 1 1   11   22    6 o   15.291   1.7506   27.988   6.2072   21.800   8.8423   34.000   8.7155   13.318   2.8943   16.810   2.2523 -3.492069 3.667387 
1 1 1   11   22    7 o  162.338   8.5632  3176.53  327.097  3866.10  462.811  2488.30  462.358  177.952   11.069  141.152   14.059 36.80051 17.89318 
1 1 1   11   22    8 o  270.114   15.202  9157.25  965.722 10323.60  1365.44  7989.90  1366.03  279.780   20.817  241.552   24.278 38.22748 31.98048 
1 1 1   11   22    9 f  138.977   7.7216  2324.69  252.405  2573.60  356.531  2074.60  357.379  145.118   10.475  129.616   11.806 15.50240 15.78282 
1 1 1   11   22   10 o  171.123   8.7376  3543.47  351.893  4702.20  498.176  2389.60  497.130  195.963   10.808  136.715   15.683 59.24747 19.04595 
1 1 1   11   22   11 o  123.315   6.7841  1826.92  196.787  1958.30  278.115  1695.20  278.483  126.717   9.3608  117.528   10.134 9.189156 13.79538 
1 1 1   11   22   12 o  154.546   8.5463  2898.89  310.674  3009.40  438.582  2787.60  440.141  155.425   12.044  149.184   12.612 6.240540 17.43930 
1 1 1   11   22   13 o  114.060   6.1143  1561.58  164.081  1491.40  231.191  1632.80  232.910  110.437   8.9421  115.737   8.5834 -5.299644 12.39502 
1 1 1   11   22   14 o   95.909   5.3514  1102.05  120.712  1263.40  170.632  940.400  170.793  102.158   7.1178   87.641   8.3539 14.51698 10.97500 
1 1 1   11   22   15 o  106.143   5.9356  1355.40  148.175  1516.50  209.388  1193.80  209.715  111.464   8.0087   98.340   9.1355 13.12430 12.14887 
1 1 1   11   22   16 o   16.351   1.7127   31.957   6.5147   30.200   9.1045   33.800   9.3259   15.772   2.5301   16.721   2.4332 -0.9493151 3.510270 
1 1 1   11   22   17 o   90.274   4.9959  978.399  106.084  1132.30  150.051  824.600  150.001   96.548   6.6216   81.840   7.8585 14.70882 10.27628 
1 1 1   11   22   18 o   71.878   5.8582  626.800   98.566  626.800   98.566   0.0000   0.0000   71.878   5.8582  ?   ?  0.000000 5.858192 
1 1 1   11   22   19 f  138.346   7.5104  2352.04  244.434  2603.90  345.932  2100.90  345.432  143.164   10.302  127.323   11.617 15.84139 15.52691 
1 1 1   11   22   20 o   37.211   2.4356  164.908   21.284  160.900   30.132  168.900   30.068   36.579   3.5323   37.504   3.4333 -0.9244080 4.925951 
1 1 1   11   22   21 o   32.742   2.1453  127.604   16.495  149.100   23.435  106.500   23.221   35.306   2.8350   29.707   3.3698 5.598722 4.403722 
1 1 1   11   22   22 o   35.719   2.3459  152.032   19.677  146.300   27.783  157.800   27.872   34.855   3.4196   36.236   3.2932 -1.380955 4.747521 
1 1 1   11   22   23 o   39.951   2.5596  190.413   24.020  204.100   33.954  176.700   33.986   41.184   3.5254   38.234   3.8153 2.949291 5.194699 
1 1 1   11   22   24 o   86.028   4.7380  896.936   95.877  841.400  135.391  952.800  135.791   82.040   7.0575   87.625   6.6113 -5.585175 9.670479 
1 1 1   11   22   25 o   68.335   3.9312  562.769   63.168  578.600   89.278  546.900   89.386   68.609   5.5584   66.606   5.7393 2.003265 7.989717 
1 1 1   11   22   26 o   98.988   5.6218  1204.77  130.866  1278.90  184.990  1130.50  185.156  100.115   7.8890   93.569   8.4719 6.545616 11.57620 
1 1 1   11   22   27 o   8.4483   1.6546   8.7500   3.1827   11.600   4.5010   5.9000   4.5010   9.7058   2.0292   7.1641   2.3257 2.541678 3.086521 
1 1 1   11   22   28 o   20.663   1.8103   51.039   8.7439   47.800   12.345   54.300   12.386   19.836   2.7063   21.199   2.5240 -1.363615 3.700572 
1 1 1   11   22   29 o   54.811   3.2630  362.549   42.041  361.500   59.441  363.600   59.470   54.113   4.6984   54.278   4.6859 -0.1644745 6.635689 
1 1 1   11   22   30 o   50.952   3.0955  313.569   37.067  331.200   52.393  295.900   52.449   51.829   4.3203   48.832   4.6028 2.997490 6.312748 
1 1 1   11   22   31 o   26.527   2.0230   84.359   12.577   95.900   17.779   72.800   17.793   28.134   2.7097   24.355   3.1689 3.778927 4.169423 
1 1 1   11   22   32 o   44.850   2.7954  243.293   29.458  250.900   41.679  235.700   41.643   45.019   3.9609   43.555   4.0971 1.464439 5.698690 
1 1 1   11   22   33 o   28.194   2.0750   95.539   13.718  100.900   19.420   90.200   19.379   28.744   2.9009   27.103   3.0829 1.640846 4.233126 
1 1 1   11   22   34 o   30.569   2.1248  112.453   15.242  128.700   21.621   96.400   21.491   32.479   2.8478   27.904   3.3273 4.574608 4.379607 
1 1 1   11   22   35 o   44.632   2.7872  242.290   29.228  247.800   41.373  236.800   41.295   44.476   3.9815   43.411   4.0762 1.064575 5.698038 
1 1 1   11   22   36 o   34.091   2.3455  140.572   18.767  138.000   26.656  143.100   26.426   33.328   3.4363   33.992   3.3352 -0.6638222 4.788688 
1 1 1   11   22   37 o   24.222   1.9464   70.710   11.039   69.000   15.657   72.400   15.565   23.650   2.8619   24.266   2.7658 -0.6163082 3.979995 
1 1 1   11   22   38 o   26.328   1.9511   83.589   12.043   93.900   17.083   73.400   16.981   27.680   2.6458   24.304   3.0243 3.376041 4.018301 
1 1 1   11   22   39 o   38.771   2.4617  183.351   22.421  198.600   31.812  168.300   31.604   39.780   3.4198   36.398   3.7298 3.382702 5.060292 
1 1 1   11   22   40 o   4.1645   1.5494   1.5945   2.0364  -2.8000   2.4393   11.700   3.6990   2.8821   1.3620   9.7498   1.6666 -6.867676 2.152297 
1 1 1   11   22   41 o   27.654   2.1020   93.278   13.624   92.300   19.057   94.300   19.485   27.051   3.0357   27.324   3.0732 -0.2731285 4.319750 
1 1 1   11   22   42 o   12.666   1.8769   19.795   5.4438   26.700   7.4986   12.100   7.9158   14.632   2.2417   9.7919   3.0741 4.839957 3.804637 
1 1 1   11   22   43 o   21.957   1.9956   59.058   10.234   65.100   14.238   52.600   14.719   22.731   2.7056   20.155   3.1996 2.576281 4.190220 
1 1 1   11   22   44 o   16.250   2.6229   33.600   9.7219   33.600   9.7219   0.0000   0.0000   16.250   2.6229  ?   ?  0.000000 2.622906 
1 1 1   11   22   45 o   26.417   3.1759   90.800   19.414   90.800   19.414   0.0000   0.0000   26.417   3.1759  ?   ?  0.000000 3.175858 
1 1 1   11   22   46 o   18.031   2.8513   42.600   11.736   42.600   11.736   0.0000   0.0000   18.031   2.8513  ?   ?  0.000000 2.851289 
1 1 1   11   22   47 o   6.3120   2.3312   4.3000   4.5930   4.3000   4.5930   0.0000   0.0000   6.3120   2.3312  ?   ?  0.000000 2.331183 
1 1 1   11   22   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   22   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   22   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   22   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   23    0 f   57.696   4.8753  402.500   65.330  402.500   65.330  402.500   65.330   57.696   4.8753   57.696   4.8753 -0.000000 0.000000 
1 1 1   11   23    1 o  118.967   6.4075  1692.85  179.338  1547.80  253.538  1838.10  253.706  112.826   9.6079  123.303   8.7707 -10.47717 13.00913 
1 1 1   11   23    2 o  156.411   8.4712  2948.76  311.712  2925.20  440.896  2972.30  440.759  154.106   12.216  155.405   12.106 -1.299118 17.19866 
1 1 1   11   23    3 o  189.795   10.231  4378.53  456.856  4034.00  645.888  4723.50  646.295  178.924   15.438  194.651   14.158 -15.72658 20.94719 
1 1 1   11   23    4 o  197.547   10.759  4759.74  500.005  4794.20  707.219  4725.30  707.010  194.984   15.488  193.476   15.608 1.508224 21.98808 
1 1 1   11   23    5 o   47.724   2.8866  270.489   32.377  275.600   45.838  265.400   45.738   48.036   4.0797   47.122   4.1529 0.9137650 5.821535 
1 1 1   11   23    6 o  250.506   12.423  7728.22  734.878  9332.50  1041.08  6135.00  1037.48  270.836   16.355  214.818   20.709 56.01749 26.38862 
1 1 1   11   23    7 o   69.565   3.6836  575.223   60.294  682.200   85.440  469.100   85.098   75.608   4.8105   62.458   5.8376 13.14991 7.564304 
1 1 1   11   23    8 o   65.233   5.3229  510.100   81.280  510.100   81.280   0.0000   0.0000   65.233   5.3229  ?   ?  0.000000 5.322931 
1 1 1   11   23    9 o   67.993   3.8688  550.258   61.859  552.300   87.306  548.200   87.659   67.843   5.4970   67.581   5.5418 0.2623444 7.805654 
1 1 1   11   23   10 o   62.187   3.7050  460.384   54.160  551.800   76.475  368.400   76.712   67.926   4.7987   55.205   5.9803 12.72109 7.667622 
1 1 1   11   23   11 o   34.953   2.3438  145.188   19.233  185.000   27.204  105.400   27.196   39.412   2.9444   29.526   4.0040 9.886089 4.970002 
1 1 1   11   23   12 o  110.255   6.1116  1461.21  158.494  1696.40  224.066  1225.70  224.222  118.059   8.0861   99.614   9.6534 18.44532 12.59262 
1 1 1   11   23   13 o   68.251   3.9350  555.560   63.149  611.800   89.220  499.100   89.393   71.345   5.3345   64.252   5.9598 7.092949 7.998497 
1 1 1   11   23   14 o   71.996   4.1223  619.004   69.791  692.500   98.629  545.300   98.769   75.827   5.5468   67.034   6.3140 8.792381 8.404408 
1 1 1   11   23   15 f   45.972   2.8539  251.564   30.828  287.900   43.559  215.100   43.636   49.050   3.7902   42.236   4.4418 6.813866 5.839087 
1 1 1   11   23   16 f  100.864   5.5031  1225.84  130.577  1187.00  184.055  1265.20  185.278   98.156   8.0108  101.468   7.7923 -3.311874 11.17550 
1 1 1   11   23   17 o   90.830   5.0873  993.170  108.674  1073.50  153.622  912.700  153.756   93.658   6.9967   86.023   7.6491 7.635757 10.36640 
1 1 1   11   23   18 o  125.025   6.8150  1910.27  200.440  2084.00  283.654  1737.00  283.277  128.677   9.4003  116.627   10.395 12.05016 14.01511 
1 1 1   11   23   19 o   42.228   2.6466  212.488   26.257  217.200   37.179  207.800   37.087   42.503   3.7426   41.550   3.8229 0.9534569 5.349904 
1 1 1   11   23   20 o   90.948   5.0780  1000.95  108.621  1034.50  153.619  967.400  153.607   91.376   7.1772   88.190   7.4458 3.186462 10.34177 
1 1 1   11   23   21 f   40.152   2.5310  192.195   23.874  214.900   33.804  169.600   33.723   42.307   3.4127   37.456   3.8684 4.850929 5.158638 
1 1 1   11   23   22 o   57.329   3.4405  393.858   46.360  455.300   65.479  332.100   65.648   61.326   4.5542   52.042   5.4216 9.284142 7.080585 
1 1 1   11   23   23 o   17.913   1.7518   38.368   7.3152   41.600   10.316   35.100   10.374   18.562   2.4106   16.977   2.6765 1.584911 3.602083 
1 1 1   11   23   24 f   61.572   3.5242  455.296   51.027  522.100   72.192  388.600   72.133   65.532   4.6963   56.175   5.5087 9.357033 7.238901 
1 1 1   11   23   25 o   32.060   2.2194  122.650   16.699  122.800   23.586  122.500   23.646   31.906   3.1726   31.864   3.1854 0.4191971E-01 4.495802 
1 1 1   11   23   26 o   12.415   1.6484   18.582   4.7130   17.100   6.6266   20.100   6.7046   11.771   2.4632   12.811   2.3008 -1.040687 3.370653 
1 1 1   11   23   27 o   31.128   2.1392  115.700   15.629  104.700   22.052  126.800   22.153   29.386   3.2313   32.442   2.9231 -3.056168 4.357315 
1 1 1   11   23   28 o   28.789   2.1036   99.110   14.202  102.600   20.055   95.600   20.113   29.118   2.9579   28.066   3.0858 1.051453 4.274496 
1 1 1   11   23   29 o   23.599   1.9052   66.647   10.527   65.900   14.856   67.400   14.918   23.297   2.7537   23.569   2.7310 -0.2722454 3.878302 
1 1 1   11   23   30 o   58.347   3.4716  414.318   47.615  421.500   67.256  407.100   67.420   57.969   4.9611   56.889   5.0719 1.079060 7.094893 
1 1 1   11   23   31 o   25.171   1.9489   75.980   11.493   82.000   16.281   70.000   16.227   25.979   2.6931   23.917   2.9349 2.062370 3.983211 
1 1 1   11   23   32 o   30.601   2.1711  112.591   15.587  122.400   22.053  102.800   22.033   31.668   2.9843   28.896   3.2876 2.771790 4.440053 
1 1 1   11   23   33 o   51.707   3.1466  326.549   38.237  334.400   54.078  318.700   54.073   51.454   4.4960   50.134   4.6196 1.319828 6.446273 
1 1 1   11   23   34 o   65.287   3.8599  529.818   59.242  561.700   83.823  498.000   83.739   65.627   5.4586   61.350   5.8513 4.277660 8.002076 
1 1 1   11   23   35 o   70.694   4.1991  628.499   69.784  627.500   98.626  629.500   98.752   68.276   6.1845   68.388   6.1819 -0.1126175 8.744349 
1 1 1   11   23   36 o   11.451   1.7113   15.982   4.4851   10.900   6.3956   20.900   6.2916   9.3783   2.7255   13.038   2.1161 -3.659745 3.450548 
1 1 1   11   23   37 o   30.153   2.1276  109.803   15.052  116.100   21.368  103.600   21.207   30.686   2.9867   28.900   3.1590 1.786013 4.347384 
1 1 1   11   23   38 o   36.245   2.4667  160.137   20.987  149.300   29.731  170.900   29.628   34.312   3.7295   36.917   3.4383 -2.604984 5.072565 
1 1 1   11   23   39 o   8.9110   1.6032   9.7804   3.2495   11.600   4.6896   8.1000   4.5067   9.6194   2.1215   8.0618   2.2706 1.557611 3.107504 
1 1 1   11   23   40 o   33.171   2.3522  134.701   18.305  138.400   25.714  130.900   26.065   33.045   3.3412   32.023   3.5041 1.022202 4.841717 
1 1 1   11   23   41 o   14.806   1.7364   26.738   5.9554   22.200   8.1641   31.900   8.7066   13.176   2.7143   15.984   2.3793 -2.807806 3.609472 
1 1 1   11   23   42 o   16.227   1.7811   32.159   6.7128   32.400   9.3340   31.900   9.6610   16.020   2.5531   15.845   2.6775 0.1756639 3.699634 
1 1 1   11   23   43 o   32.243   3.3978  134.600   25.481  134.600   25.481   0.0000   0.0000   32.243   3.3978  ?   ?  0.000000 3.397848 
1 1 1   11   23   44 o   34.283   3.7021  156.100   29.495  156.100   29.495   0.0000   0.0000   34.283   3.7021  ?   ?  0.000000 3.702131 
1 1 1   11   23   45 f   21.755   2.9050   61.400   14.550   61.400   14.550   0.0000   0.0000   21.755   2.9050  ?   ?  0.000000 2.904953 
1 1 1   11   23   46 f   8.2719   2.4374   8.9000   5.0835   8.9000   5.0835   0.0000   0.0000   8.2719   2.4374  ?   ?  0.000000 2.437365 
1 1 1   11   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   23   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   23   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   23   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   24    0 o   61.254   5.1272  453.900   72.965  453.900   72.965  453.900   72.965   61.254   5.1272   61.254   5.1272 -0.000000 0.000000 
1 1 1   11   24    1 o   96.044   5.1814  1100.88  117.076  1211.30  165.695  990.800  165.445  100.319   7.0392   90.472   7.8212 9.847580 10.52238 
1 1 1   11   24    2 o  129.602   5.8055  2003.15  177.668  2603.20  252.141  1411.40  250.389  147.333   7.2474  107.319   9.9954 40.01347 12.34634 
1 1 1   11   24    3 o  117.475   6.3866  1654.33  176.498  1697.10  249.666  1611.60  249.546  118.116   9.0195  114.992   9.2688 3.124054 12.93303 
1 1 1   11   24    4 o  203.945   10.352  5087.25  496.887  6168.90  703.650  4011.40  701.762  222.004   13.486  175.828   17.119 46.17603 21.79327 
1 1 1   11   24    5 o  157.563   8.4883  3007.34  314.652  3153.80  445.302  2861.30  444.669  159.442   11.913  151.433   12.548 8.009033 17.30287 
1 1 1   11   24    6 o   65.687   3.7244  513.422   57.532  463.000   81.340  563.900   81.386   62.050   5.6121   68.634   5.0573 -6.584423 7.554585 
1 1 1   11   24    7 o  199.986   11.089  4937.55  521.629  5033.40  736.934  4841.30  738.458  197.434   15.943  193.200   16.340 4.233871 22.82903 
1 1 1   11   24    8 o  156.691   8.7060  2987.20  320.853  3307.30  453.439  2666.20  454.071  162.871   11.872  145.103   13.404 17.76863 17.90516 
1 1 1   11   24    9 o   56.726   3.3960  382.978   45.281  416.700   63.869  348.900   64.205   58.987   4.6223   53.853   5.1101 5.133785 6.890471 
1 1 1   11   24   10 o   79.478   4.6169  754.879   86.274  845.600  121.691  663.200  122.332   83.744   6.1978   73.858   7.1018 9.885773 9.425948 
1 1 1   11   24   11 o   76.888   4.3122  705.934   77.977  787.600  110.286  624.300  110.265   80.867   5.8143   71.742   6.5822 9.125481 8.782472 
1 1 1   11   24   12 o   44.395   2.7436  234.431   28.621  230.900   40.369  238.000   40.585   43.886   3.9374   44.568   3.8955 -0.6818810 5.538791 
1 1 1   11   24   13 o   88.825   4.9832  946.508  104.099  1004.10  147.081  888.700  147.357   90.848   6.9079   85.254   7.3929 5.594002 10.11795 
1 1 1   11   24   14 o   57.836   3.4544  399.000   46.962  429.700   66.253  368.000   66.577   59.769   4.7329   55.181   5.1696 4.587997 7.008986 
1 1 1   11   24   15 o  156.699   8.8256  3047.11  325.240  3197.50  459.555  2896.20  460.363  156.775   12.518  148.319   13.285 8.455627 18.25372 
1 1 1   11   24   16 o   71.395   4.0411  610.222   67.849  604.800   95.705  615.700   96.204   70.568   5.7945   71.213   5.7706 -0.6447601 8.177783 
1 1 1   11   24   17 o   31.261   2.1820  116.337   16.006  112.400   22.597  120.300   22.675   30.581   3.1755   31.666   3.0710 -1.084751 4.417608 
1 1 1   11   24   18 o   39.116   2.5553  182.359   23.473  203.600   33.150  161.000   33.242   41.192   3.4395   36.502   3.9179 4.690315 5.213446 
1 1 1   11   24   19 o   41.019   2.5940  200.599   24.997  200.900   35.407  200.300   35.295   40.845   3.7115   40.785   3.7052 0.6019211E-01 5.244376 
1 1 1   11   24   20 o   65.955   3.7890  522.002   58.763  526.300   83.087  517.700   83.121   65.687   5.4046   65.126   5.4553 0.5618820 7.679136 
1 1 1   11   24   21 o   44.253   2.7449  233.799   28.542  232.800   40.353  234.800   40.376   43.904   3.9340   44.097   3.9183 -0.1933899 5.552427 
1 1 1   11   24   22 o   71.320   4.0469  612.712   67.875  644.800   96.046  580.700   95.932   72.499   5.6550   68.628   5.9795 3.871460 8.230048 
1 1 1   11   24   23 f   66.487   3.8186  532.143   59.700  522.600   84.396  541.700   84.460   65.205   5.5335   66.441   5.4308 -1.235786 7.753248 
1 1 1   11   24   24 o   71.994   4.1277  626.424   69.881  659.700   98.790  593.100   98.862   73.099   5.7701   69.101   6.1221 3.998581 8.412759 
1 1 1   11   24   25 o   94.515   5.2438  1096.35  116.574  1252.70  164.940  940.300  164.781   99.546   7.0627   85.121   8.3037 14.42506 10.90107 
1 1 1   11   24   26 o   52.045   3.2095  325.780   39.252  346.700   55.276  304.500   55.749   53.264   4.4352   49.747   4.8056 3.516270 6.539415 
1 1 1   11   24   27 o   73.010   4.2003  650.107   72.109  659.800  101.940  640.400  102.016   72.361   6.0206   71.204   6.1270 1.156883 8.589995 
1 1 1   11   24   28 f   15.882   1.7481   30.314   6.4476   36.800   9.0742   23.700   9.1629   17.428   2.2581   13.805   2.9028 3.622499 3.677692 
1 1 1   11   24   29 o   58.681   3.4800  418.859   48.006  442.200   67.877  395.500   67.904   59.478   4.8757   56.025   5.1918 3.453186 7.122329 
1 1 1   11   24   30 o   25.264   1.9814   76.561   11.725   78.400   16.535   74.700   16.630   25.371   2.8070   24.733   2.9026 0.6387424 4.037879 
1 1 1   11   24   31 o   12.465   1.6877   18.818   4.8399   19.800   6.7825   17.800   6.9085   12.657   2.3559   11.955   2.5262 0.7020397 3.454327 
1 1 1   11   24   32 o   43.924   2.7243  233.785   28.117  260.500   39.812  207.200   39.716   45.889   3.7057   40.630   4.2001 5.258320 5.601182 
1 1 1   11   24   33 o   62.071   3.6948  476.599   53.911  474.800   76.222  478.400   76.260   60.432   5.3982   60.682   5.3777 -0.2502823 7.619729 
1 1 1   11   24   34 o   24.980   1.9664   75.089   11.505   86.500   16.279   63.700   16.263   26.636   2.6221   22.662   3.1218 3.973814 4.076889 
1 1 1   11   24   35 o   9.5020   1.6744   11.077   3.6196   8.2000   5.0170   14.200   5.2273   8.1835   2.4241   10.696   2.1443 -2.512084 3.236425 
1 1 1   11   24   36 o   51.647   3.1724  328.152   38.502  326.800   54.486  329.500   54.415   50.424   4.6277   50.658   4.5990 -0.2343864 6.524312 
1 1 1   11   24   37 o   2.4234   1.0803  -0.5106   1.2529  -1.9000   1.7983   0.8000   1.7465   2.5251   1.1858   3.5424   1.4038 -1.017345 1.837644 
1 1 1   11   24   38 o   32.393   2.2555  127.578   17.145  136.500   24.276  118.700   24.218   33.073   3.1464   30.686   3.3993 2.386631 4.631939 
1 1 1   11   24   39 o   9.1599   1.7266   10.386   3.5976   7.6000   5.1707   13.000   5.0087   7.9100   2.4847   10.181   2.1507 -2.271270 3.286264 
1 1 1   11   24   40 f   29.843   2.1317  108.702   14.923  100.900   20.787  117.000   21.438   28.196   3.1775   30.483   3.0179 -2.287090 4.382256 
1 1 1   11   24   41 o   10.901   1.7894   14.693   4.4461   13.900   5.8248   15.800   6.8821   10.443   2.4109   11.086   2.6625 -0.6426506 3.591832 
1 1 1   11   24   42 o   25.282   2.0463   78.254   12.112   78.400   16.898   78.100   17.368   24.852   2.9363   24.746   3.0360 0.1061478 4.223601 
1 1 1   11   24   43 o  ?   ?   -6.9000   1.0912  -6.9000   1.0912   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   24   44 o   20.228   2.8206   52.600   13.106   52.600   13.106   0.0000   0.0000   20.228   2.8206  ?   ?  0.000000 2.820636 
1 1 1   11   24   45 o   22.189   2.9866   64.800   15.251   64.800   15.251   0.0000   0.0000   22.189   2.9866  ?   ?  0.000000 2.986618 
1 1 1   11   24   46 o   25.749   3.2200   91.100   19.150   91.100   19.150   0.0000   0.0000   25.749   3.2200  ?   ?  0.000000 3.219973 
1 1 1   11   24   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   24   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   24   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   24   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   25    0 f  191.770   15.316  4598.80  683.393  4598.80  683.393  4598.80  683.393  191.770   15.316  191.770   15.316 0.000000 0.000000 
1 1 1   11   25    1 o  120.995   6.5988  1760.06  187.825  1786.10  265.600  1734.00  265.650  120.799   9.3848  118.945   9.5383 1.853653 13.38106 
1 1 1   11   25    2 f   38.753   2.3447  178.307   21.355  226.800   30.309  130.500   30.094   43.661   2.9573   32.923   3.9499 10.73846 4.934276 
1 1 1   11   25    3 o   25.821   1.9967   79.303   12.080   78.200   17.106   80.400   17.061   25.536   2.8876   25.904   2.8355 -0.3685932 4.046983 
1 1 1   11   25    4 o  135.990   7.4153  2234.40  237.223  2138.20  335.482  2330.60  335.486  131.294   10.920  137.399   10.418 -6.104630 15.09219 
1 1 1   11   25    5 o   84.524   4.6842  853.192   93.128  799.300  131.693  907.100  131.713   81.252   6.9301   86.723   6.4785 -5.471764 9.486701 
1 1 1   11   25    6 o  109.662   5.9613  1444.15  153.789  1744.60  217.544  1144.00  217.438  119.900   7.7247   96.203   9.7042 23.69750 12.40331 
1 1 1   11   25    7 o  109.247   5.6406  1431.58  145.016  1858.50  205.377  1007.10  204.791  123.991   7.0436   90.101   9.7826 33.88963 12.05454 
1 1 1   11   25    8 o   89.143   4.9832  951.342  104.474  985.200  147.549  917.300  147.950   90.129   6.9874   86.850   7.2813 3.278671 10.09165 
1 1 1   11   25    9 o   70.452   3.8420  591.788   63.675  544.100   89.530  640.600   90.578   67.145   5.7005   72.998   5.2906 -5.853035 7.777321 
1 1 1   11   25   10 o   45.838   2.8631  250.052   30.835  261.200   43.410  238.700   43.808   46.686   3.9756   44.574   4.2120 2.112476 5.791888 
1 1 1   11   25   11 o   69.147   3.9832  571.112   64.762  613.200   91.467  528.800   91.710   71.302   5.4743   66.055   5.9432 5.246765 8.080172 
1 1 1   11   25   12 o  107.933   5.8858  1406.46  149.443  1758.80  211.418  1054.60  211.272  119.932   7.5030   91.529   9.9346 28.40363 12.44954 
1 1 1   11   25   13 o  102.975   5.7246  1280.81  138.650  1498.20  196.051  1063.30  196.109  110.496   7.5592   92.192   9.1283 18.30399 11.85188 
1 1 1   11   25   14 o   35.365   2.2836  148.780   18.968  126.400   26.696  171.600   26.956   32.399   3.5474   37.890   3.0384 -5.491615 4.670737 
1 1 1   11   25   15 o   36.676   2.4293  160.168   20.920  161.900   29.435  158.400   29.738   36.722   3.4343   36.306   3.5127 0.4163208 4.912646 
1 1 1   11   25   16 o   54.554   3.1390  355.183   40.266  331.400   56.690  379.400   57.204   52.357   4.6332   56.121   4.3506 -3.763783 6.355615 
1 1 1   11   25   17 o   46.229   2.8712  255.012   31.188  264.300   43.960  245.600   44.254   46.835   4.0136   45.091   4.2047 1.744114 5.812833 
1 1 1   11   25   18 o   28.870   2.0996   99.300   14.215   97.900   20.103  100.700   20.103   28.524   3.0310   28.942   2.9843 -0.4175701 4.253617 
1 1 1   11   25   19 o   66.803   3.7758  535.508   59.317  589.000   83.958  482.200   83.815   69.602   5.1448   62.722   5.7220 6.880028 7.694812 
1 1 1   11   25   20 o   40.704   2.5848  197.696   24.716  185.600   34.947  209.800   34.959   39.186   3.8256   41.741   3.5815 -2.554943 5.240458 
1 1 1   11   25   21 o   36.450   2.4056  158.497   20.589  144.500   29.114  172.500   29.121   34.565   3.6208   37.870   3.2891 -3.305134 4.891654 
1 1 1   11   25   22 o   25.647   1.9994   78.478   12.013   72.500   17.029   84.400   16.949   24.477   3.0096   26.485   2.7502 -2.007797 4.076898 
1 1 1   11   25   23 o   48.580   2.9105  282.486   33.235  307.300   47.062  257.800   46.940   50.384   3.9882   46.004   4.3737 4.380749 5.919006 
1 1 1   11   25   24 o   69.957   4.0072  591.986   65.921  570.400   93.195  613.600   93.257   67.741   5.8846   70.407   5.6570 -2.665810 8.162699 
1 1 1   11   25   25 o   95.837   4.9540  1125.86  111.729  1377.20  158.354  876.700  157.664  104.726   6.4346   81.897   8.2658 22.82879 10.47511 
1 1 1   11   25   26 o   22.605   1.8987   61.119   10.041   65.600   14.170   56.600   14.231   23.295   2.6215   21.565   2.8657 1.729961 3.883896 
1 1 1   11   25   27 o   10.086   1.6877   12.400   3.8777   11.400   5.4840   13.400   5.4840   9.5881   2.4215   10.401   2.2944 -0.8130341 3.335863 
1 1 1   11   25   28 o   9.0331   1.7601   10.029   3.6195   5.9000   5.2031   13.900   5.0383   7.3212   2.5035   10.620   2.0835 -3.298818 3.257019 
1 1 1   11   25   29 f   14.268   1.7619   24.580   5.8101   30.400   8.1287   18.500   8.3078   15.796   2.2421   12.151   2.9296 3.645334 3.689132 
1 1 1   11   25   30 o   31.962   2.0458  122.466   15.359  151.300   21.929   94.700   21.519   35.369   2.6447   27.716   3.3563 7.652874 4.273110 
1 1 1   11   25   31 o   73.546   4.3467  676.627   75.152  701.600  106.225  651.600  106.339   72.788   6.2406   69.783   6.5292 3.005333 9.031894 
1 1 1   11   25   32 o   31.648   2.2343  120.714   16.590  125.400   23.428  116.000   23.496   31.949   3.1463   30.658   3.2973 1.290329 4.557557 
1 1 1   11   25   33 o   46.086   2.8853  258.656   31.241  255.300   44.223  262.000   44.140   45.026   4.2082   45.663   4.1386 -0.6371498 5.902270 
1 1 1   11   25   34 o   24.576   1.9502   72.698   11.225   71.900   15.850   73.500   15.899   24.190   2.8282   24.469   2.8021 -0.2795963 3.981263 
1 1 1   11   25   35 o   28.970   2.1181  101.252   14.389  103.300   20.340   99.200   20.359   28.950   3.0197   28.336   3.0929 0.6148510 4.322598 
1 1 1   11   25   36 o   9.6631   1.7329   11.491   3.8089   7.6000   5.3466   15.500   5.4277   7.9691   2.5294   11.174   2.1348 -3.205163 3.309932 
1 1 1   11   25   37 o   9.7595   1.6278   11.681   3.6193   15.400   5.2051   8.2000   5.0360   11.143   2.0538   8.1603   2.4313 2.983047 3.182673 
1 1 1   11   25   38 o   14.694   1.6918   26.209   5.7631   25.200   8.1863   27.200   8.1146   14.173   2.5393   14.778   2.4084 -0.6047087 3.499766 
1 1 1   11   25   39 o   16.593   1.6931   33.396   6.5408   26.600   8.9464   41.200   9.5871   14.480   2.7162   18.269   2.2713 -3.788805 3.540720 
1 1 1   11   25   40 o   23.577   2.0139   67.873   11.104   73.300   15.532   62.200   15.881   24.164   2.7722   22.056   3.1377 2.108408 4.186924 
1 1 1   11   25   41 o   6.2769   1.8001   4.8755   2.8064   0.9000   3.4390   12.800   4.8555   4.6781   1.9276   10.076   2.1084 -5.398181 2.856704 
1 1 1   11   25   42 o   5.8013   1.9963   3.7726   3.3100   4.7000   4.6262   2.8000   4.7378   6.5929   2.3528   5.9457   2.3257 0.6471591 3.308316 
1 1 1   11   25   43 o   34.205   3.6819  155.200   29.270  155.200   29.270   0.0000   0.0000   34.205   3.6819  ?   ?  0.000000 3.681916 
1 1 1   11   25   44 o   4.4515   1.8873   0.3000   3.4405   0.3000   3.4405   0.0000   0.0000   4.4515   1.8873  ?   ?  0.000000 1.887255 
1 1 1   11   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   25   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   25   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   25   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26    0 o   77.322   6.2876  725.600  113.055  725.600  113.055  725.600  113.055   77.322   6.2876   77.322   6.2876 -0.000000 0.000000 
1 1 1   11   26    1 o   82.063   4.5809  804.715   88.415  839.700  125.010  769.700  125.064   83.369   6.3989   79.708   6.7069 3.661545 9.269779 
1 1 1   11   26    2 o  110.082   5.8701  1456.10  152.038  1610.00  215.296  1303.00  214.735  114.940   7.9818  102.942   8.9221 11.99879 11.97131 
1 1 1   11   26    3 o  112.859   6.1920  1533.61  164.388  1496.10  232.518  1571.10  232.440  110.285   9.0072  113.148   8.7682 -2.862999 12.57019 
1 1 1   11   26    4 o  100.319   5.1710  1205.66  122.078  1424.10  172.977  988.900  172.314  108.502   6.7854   89.817   8.2156 18.68532 10.65541 
1 1 1   11   26    5 o   96.632   4.9461  1117.93  112.483  919.300  158.553  1319.20  159.603   86.681   7.8307  104.484   6.5011 -17.80357 10.17766 
1 1 1   11   26    6 o   74.391   4.2001  661.012   73.479  782.600  103.909  539.400  103.920   80.649   5.4888   66.556   6.7035 14.09349 8.663956 
1 1 1   11   26    7 o   71.746   5.8271  622.000   97.868  622.000   97.868   0.0000   0.0000   71.746   5.8271  ?   ?  0.000000 5.827076 
1 1 1   11   26    8 o   49.683   3.0918  294.019   36.093  316.400   50.798  271.200   51.292   51.357   4.2263   47.440   4.6381 3.916759 6.274799 
1 1 1   11   26    9 o   28.171   2.0606   94.418   13.612   91.900   19.131   97.000   19.372   27.674   2.9743   28.447   2.9256 -0.7731590 4.171964 
1 1 1   11   26   10 o   16.355   1.8034   32.024   6.8488   34.000   9.5149   29.900   9.8659   16.760   2.4789   15.649   2.7714 1.111824 3.718263 
1 1 1   11   26   11 o  160.893   9.1344  3223.33  345.609  3425.80  488.191  3019.90  489.341  161.847   12.880  150.721   13.906 11.12654 18.95476 
1 1 1   11   26   12 o  129.695   7.2828  2060.65  222.138  2154.00  313.656  1966.70  314.646  130.321   10.276  124.007   10.854 6.313828 14.94695 
1 1 1   11   26   13 o   25.293   1.9644   76.188   11.640   68.400   16.450   84.000   16.474   23.811   2.9916   26.474   2.6718 -2.663261 4.011022 
1 1 1   11   26   14 o   71.164   4.0938  607.400   68.503  633.700   96.694  580.900   97.062   72.168   5.7210   68.967   6.0204 3.200813 8.305102 
1 1 1   11   26   15 o   77.749   4.3537  726.865   79.609  868.000  112.618  585.900  112.550   84.466   5.6793   68.762   7.0305 15.70393 9.037872 
1 1 1   11   26   16 o   80.513   4.6504  781.914   88.036  826.600  124.069  736.600  124.940   81.998   6.4600   77.147   6.9323 4.850433 9.475702 
1 1 1   11   26   17 o   18.213   1.7826   39.650   7.5681   53.600   10.703   25.700   10.703   21.152   2.1738   14.407   3.2264 6.745119 3.890353 
1 1 1   11   26   18 o   22.821   1.8447   62.088   9.8556   72.700   13.979   51.600   13.897   24.626   2.4358   20.619   2.9374 4.007380 3.815922 
1 1 1   11   26   19 o  110.469   6.1887  1500.69  160.787  1488.00  227.333  1513.40  227.441  107.631   9.0281  108.628   8.9463 -0.9977188 12.70993 
1 1 1   11   26   20 o   40.394   2.5889  194.820   24.565  216.800   34.724  172.800   34.756   42.435   3.4965   37.744   3.9586 4.691181 5.281630 
1 1 1   11   26   21 o   79.954   4.4633  774.037   83.931  886.500  118.756  661.800  118.636   84.770   5.9708   72.594   7.0079 12.17563 9.206610 
1 1 1   11   26   22 o   64.933   3.6742  507.628   56.105  550.300   79.459  465.200   79.231   67.048   5.0559   61.404   5.5234 5.643745 7.487970 
1 1 1   11   26   23 o   23.957   1.9316   68.539   10.834   59.800   15.313   77.300   15.331   22.178   3.0011   25.343   2.5986 -3.165941 3.969803 
1 1 1   11   26   24 o   31.940   2.2381  121.922   16.773  112.600   23.750  131.200   23.693   30.453   3.3586   32.966   3.0792 -2.513603 4.556484 
1 1 1   11   26   25 o   37.617   2.4489  169.461   21.634  184.800   30.634  154.200   30.557   39.056   3.3542   35.552   3.6938 3.504036 4.989445 
1 1 1   11   26   26 o   63.971   3.7518  497.873   56.426  522.400   79.761  473.300   79.836   64.622   5.2728   61.291   5.5773 3.331936 7.675193 
1 1 1   11   26   27 o   71.709   4.1797  632.272   70.469  644.100   99.564  620.400   99.752   70.916   6.0020   69.462   6.1449 1.453133 8.589713 
1 1 1   11   26   28 o   28.907   2.1209  100.269   14.376  108.500   20.308   92.000   20.354   29.870   2.9165   27.397   3.2069 2.472599 4.334747 
1 1 1   11   26   29 o   63.963   3.7614  502.936   56.563  487.400   79.956  518.500   80.028   61.554   5.5609   63.670   5.3731 -2.115562 7.732641 
1 1 1   11   26   30 o   63.437   3.8246  497.137   57.023  536.300   80.553  457.800   80.732   64.585   5.3295   59.152   5.8569 5.433250 7.918745 
1 1 1   11   26   31 o   16.879   1.7355   34.305   6.8187   36.200   9.7620   32.500   9.5285   17.179   2.4782   16.237   2.5708 0.9419212 3.570793 
1 1 1   11   26   32 o   41.256   2.7050  206.604   26.207  213.500   36.791  199.500   37.339   41.401   3.8059   39.892   4.0185 1.508381 5.534747 
1 1 1   11   26   33 o   35.443   2.4052  151.927   20.011  165.800   28.273  138.000   28.327   36.660   3.3014   33.253   3.6686 3.407230 4.935368 
1 1 1   11   26   34 o   25.115   1.9454   75.934   11.447   87.600   16.234   64.400   16.143   26.793   2.5986   22.779   3.0801 4.014626 4.029856 
1 1 1   11   26   35 o   47.727   2.9808  279.551   33.426  279.400   47.357  279.700   47.187   46.746   4.3397   46.787   4.3198 -0.4115295E-01 6.123205 
1 1 1   11   26   36 o   18.214   1.7774   40.096   7.5472   39.100   10.652   41.100   10.695   17.749   2.6203   18.226   2.5552 -0.4773083 3.659963 
1 1 1   11   26   37 f   19.797   1.8255   47.450   8.4378   47.500   11.922   47.400   11.943   19.547   2.6515   19.523   2.6599 0.2392960E-01 3.755748 
1 1 1   11   26   38 o   13.899   1.6555   23.477   5.3264   25.100   7.5867   21.900   7.4799   14.188   2.3465   13.189   2.4930 0.9987707 3.423589 
1 1 1   11   26   39 o   21.455   1.9123   56.039   9.5869   57.200   13.341   54.800   13.785   21.366   2.7049   20.829   2.8798 0.5375652 3.950951 
1 1 1   11   26   40 o   18.300   1.7873   40.779   7.6248   49.500   10.828   32.200   10.739   19.976   2.3398   15.810   2.9859 4.166222 3.793446 
1 1 1   11   26   41 o   45.347   2.8720  258.339   30.596  291.800   43.574  225.800   42.969   46.962   3.9665   40.599   4.5611 6.363174 6.044537 
1 1 1   11   26   42 f   28.959   2.1965  103.436   14.908  121.000   21.153   86.100   21.015   30.830   2.9413   25.527   3.5852 5.303310 4.637329 
1 1 1   11   26   43 o   8.5615   2.4613   9.4000   5.2411   9.4000   5.2411   0.0000   0.0000   8.5615   2.4613  ?   ?  0.000000 2.461293 
1 1 1   11   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   26   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27    0 o   20.741   2.8038   53.600   13.025   53.600   13.025   53.600   13.025   20.741   2.8038   20.741   2.8038 0.000000 0.000000 
1 1 1   11   27    1 o   91.709   5.0580  1009.11  109.111  972.400  154.219  1045.90  154.393   89.220   7.3864   92.663   7.1103 -3.442413 10.25258 
1 1 1   11   27    2 o   36.182   2.3783  155.692   20.207  152.100   28.544  159.300   28.610   35.620   3.4362   36.472   3.3597 -0.8522873 4.805718 
1 1 1   11   27    3 o   53.453   3.1461  340.277   39.535  348.800   55.988  331.800   55.835   53.895   4.4388   52.534   4.5457 1.360298 6.353469 
1 1 1   11   27    4 o   79.485   3.9165  752.141   73.510  578.600  103.427  929.300  104.499   68.958   6.4256   87.972   5.0516 -19.01441 8.173593 
1 1 1   11   27    5 o   63.642   3.4737  482.840   52.007  419.800   73.255  546.900   73.845   58.936   5.3211   67.496   4.6618 -8.559937 7.074311 
1 1 1   11   27    6 o  158.166   8.8068  3094.00  327.617  3114.30  462.760  3073.60  463.882  154.911   12.764  153.749   12.896 1.162918 18.14497 
1 1 1   11   27    7 o   85.334   4.7975  874.226   96.279  1064.50  136.132  683.800  136.186   93.695   6.1878   74.366   7.8750 19.32836 10.01523 
1 1 1   11   27    8 f   87.605   4.8002  921.658   98.922  887.100  139.217  956.900  140.587   85.145   6.9858   88.540   6.7756 -3.395630 9.731922 
1 1 1   11   27    9 o   59.727   3.4197  425.710   48.030  404.400   67.703  447.300   68.148   57.855   5.0050   60.927   4.7750 -3.072052 6.917405 
1 1 1   11   27   10 o   31.938   2.3117  121.497   17.316  135.900   24.326  106.700   24.655   33.679   3.0933   29.723   3.5852 3.955297 4.735201 
1 1 1   11   27   11 o   47.863   2.8274  272.961   31.813  239.800   44.798  306.700   45.187   44.572   4.3102   50.565   3.8124 -5.993637 5.754293 
1 1 1   11   27   12 o   23.886   1.8801   67.962   10.519   59.900   14.667   76.500   15.094   22.276   2.8540   25.263   2.5658 -2.986467 3.837788 
1 1 1   11   27   13 o   12.288   1.6421   18.183   4.6456   6.6000   6.4462   30.700   6.7010   7.9373   2.7827   16.003   1.8048 -8.065935 3.316743 
1 1 1   11   27   14 o   61.037   3.4442  445.626   49.438  412.300   69.632  479.500   70.203   58.246   5.1145   62.961   4.7571 -4.714935 6.984811 
1 1 1   11   27   15 o   43.779   2.7521  228.690   28.306  235.200   39.909  222.100   40.153   44.180   3.8644   42.889   4.0113 1.291355 5.569900 
1 1 1   11   27   16 o   47.242   2.9599  266.664   32.852  285.700   46.262  247.300   46.660   48.658   4.0635   45.151   4.4336 3.506927 6.014066 
1 1 1   11   27   17 o  107.576   6.0144  1418.79  152.169  1402.60  215.143  1435.00  215.256  104.820   8.7727  106.126   8.6652 -1.306099 12.33068 
1 1 1   11   27   18 o   44.159   2.7436  232.896   28.467  240.600   40.268  225.200   40.250   44.641   3.8579   43.144   3.9961 1.497688 5.554496 
1 1 1   11   27   19 o  110.261   6.0461  1496.56  156.820  1287.30  221.598  1706.50  221.957   99.249   9.5741  115.856   8.1653 -16.60710 12.58318 
1 1 1   11   27   20 o   80.758   4.5759  791.054   86.903  785.600  122.949  796.500  122.851   79.342   6.6228   79.930   6.5670 -0.5874023 9.326698 
1 1 1   11   27   21 o   36.039   2.2797  154.963   19.301  179.500   27.459  131.000   27.135   38.652   3.0329   32.865   3.5530 5.786240 4.671432 
1 1 1   11   27   22 o   63.584   3.6216  487.329   54.151  445.800   76.471  529.100   76.692   60.030   5.4542   65.675   4.9824 -5.645027 7.387340 
1 1 1   11   27   23 o   56.646   3.3228  386.499   44.252  402.000   62.685  371.100   62.480   57.230   4.6795   54.885   4.8715 2.344738 6.754920 
1 1 1   11   27   24 o   34.103   2.2979  139.174   18.397  156.100   26.037  122.300   25.997   35.938   3.0985   31.661   3.5378 4.277191 4.702808 
1 1 1   11   27   25 o   86.955   5.0052  939.053  102.340  933.000  144.767  945.100  144.694   84.342   7.3421   84.957   7.2830 -0.6148224 10.34154 
1 1 1   11   27   26 o   19.839   1.8220   47.196   8.4401   47.900   11.970   46.500   11.903   19.828   2.6208   19.524   2.6502 0.3034248 3.727219 
1 1 1   11   27   27 o   16.864   1.7327   34.174   6.8020   32.100   9.5611   36.300   9.6789   16.164   2.5926   17.245   2.4454 -1.081051 3.563953 
1 1 1   11   27   28 o   20.247   1.8209   49.211   8.6123   50.100   12.108   48.300   12.253   20.263   2.5896   19.867   2.6802 0.3957424 3.726880 
1 1 1   11   27   29 o   37.693   2.4551  171.369   21.732  166.600   30.637  176.200   30.833   36.732   3.5775   37.822   3.4917 -1.090469 4.999071 
1 1 1   11   27   30 o   15.172   1.6953   27.751   5.9698   28.500   8.4371   27.000   8.4480   15.219   2.4294   14.785   2.5094 0.4339981 3.492683 
1 1 1   11   27   31 o   28.081   2.0574   94.861   13.548   88.700   19.099  101.100   19.221   26.846   3.0679   28.751   2.8694 -1.905279 4.200697 
1 1 1   11   27   32 o   22.169   1.9577   59.219   10.143   74.000   14.287   44.200   14.402   24.661   2.4875   18.732   3.3803 5.928301 4.196893 
1 1 1   11   27   33 o   22.269   1.8822   59.700   9.8048   61.000   13.866   58.400   13.866   22.294   2.6881   21.786   2.7570 0.5079060 3.850589 
1 1 1   11   27   34 o   54.578   3.3199  368.099   42.583  367.400   60.162  368.800   60.281   53.227   4.8395   53.329   4.8397 -0.1015739 6.844175 
1 1 1   11   27   35 o   25.586   2.0080   79.138   12.034   95.400   17.274   63.800   16.775   27.875   2.6564   22.523   3.2480 5.351557 4.195912 
1 1 1   11   27   36 o   7.9934   1.7564   7.9520   3.2247   11.200   4.5950   4.8000   4.5265   9.4551   2.1114   6.6501   2.3318 2.804970 3.145714 
1 1 1   11   27   37 o   31.140   2.2165  118.138   16.192  131.100   22.909  105.200   22.888   32.390   3.0304   28.761   3.4383 3.628775 4.583163 
1 1 1   11   27   38 o   47.369   2.7508  278.319   30.637  233.000   42.831  325.800   43.841   41.798   4.4058   50.287   3.7183 -8.488873 5.765195 
1 1 1   11   27   39 o   26.608   2.0717   86.509   12.914   84.500   18.081   88.600   18.451   25.817   3.0232   26.451   3.0074 -0.6343060 4.264258 
1 1 1   11   27   40 o   43.580   2.9214  238.726   29.890  265.800   42.134  211.300   42.408   44.813   4.0247   39.217   4.6713 5.595390 6.165941 
1 1 1   11   27   41 o   35.971   3.7689  171.000   31.538   0.0000   0.0000  171.000   31.538  ?   ?    35.971   3.7689 0.000000 3.768898 
1 1 1   11   27   42 o   11.682   2.6198   17.700   7.0483   17.700   7.0483   0.0000   0.0000   11.682   2.6198  ?   ?  0.000000 2.619776 
1 1 1   11   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   27   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28    0 o   72.590   5.9817  641.300  100.931  641.300  100.931  641.300  100.931   72.590   5.9817   72.590   5.9817 -0.000000 0.000000 
1 1 1   11   28    1 o   43.905   2.7067  229.465   27.925  215.500   39.443  243.500   39.541   42.335   3.9928   45.069   3.7495 -2.733959 5.477309 
1 1 1   11   28    2 o   71.183   3.8381  605.376   64.276  530.700   90.408  681.700   91.400   66.109   5.8519   75.199   5.1788 -9.089256 7.814366 
1 1 1   11   28    3 o   64.788   3.7265  501.464   56.770  507.500   80.196  495.400   80.375   64.798   5.2873   63.992   5.3687 0.8052330 7.535096 
1 1 1   11   28    4 o  165.570   9.4231  3427.29  366.891  3728.10  518.482  3125.60  519.244  168.393   13.143  152.325   14.615 16.06761 19.65566 
1 1 1   11   28    5 f   86.076   4.8317  890.649   97.810  904.300  138.077  876.900  138.572   85.968   6.8588   84.587   7.0005 1.381516 9.800584 
1 1 1   11   28    6 o   60.253   3.2198  432.809   45.645  593.600   64.682  273.300   64.423   70.443   3.9038   47.225   5.9063 23.21868 7.079816 
1 1 1   11   28    7 o   88.364   5.0592  941.116  105.126  1011.10  148.337  870.500  149.005   90.785   6.9728   83.901   7.6036 6.884178 10.31668 
1 1 1   11   28    8 o   16.652   1.7426   33.167   6.7506   30.200   9.4193   36.300   9.6796   15.746   2.6258   17.330   2.4323 -1.584390 3.579196 
1 1 1   11   28    9 o   82.082   4.5239  810.107   87.345  774.200  123.111  846.500  123.942   79.422   6.6248   83.192   6.3574 -3.769669 9.181746 
1 1 1   11   28   10 o   27.293   1.8406   88.583   11.793   66.100   16.297  113.300   17.087   23.387   3.0216   30.820   2.3659 -7.433107 3.837633 
1 1 1   11   28   11 o   55.455   3.2902  367.561   42.893  368.500   60.320  366.600   61.005   55.189   4.6725   55.026   4.7413 0.1629105 6.656706 
1 1 1   11   28   12 o   37.104   2.4435  164.065   21.289  196.500   30.101  131.600   30.115   40.503   3.1726   32.943   3.9501 7.559673 5.066401 
1 1 1   11   28   13 o   6.3727   1.8842   4.8766   3.0333  -1.5000   4.4311   10.500   4.1612   4.6344   2.0506   9.2402   1.9674 -4.605794 2.841804 
1 1 1   11   28   14 o   45.953   2.6849  251.818   29.008  223.400   40.685  281.200   41.369   42.991   4.0556   48.374   3.6485 -5.382404 5.455222 
1 1 1   11   28   15 o   89.716   5.1161  977.294  107.937  1011.60  152.218  942.600  153.077   90.076   7.2170   86.717   7.5510 3.359306 10.44519 
1 1 1   11   28   16 o   44.936   2.7712  241.144   29.261  245.700   41.408  236.600   41.354   45.105   3.9270   44.237   4.0022 0.8684196 5.607044 
1 1 1   11   28   17 o  100.537   5.4491  1234.40  128.881  1048.70  182.070  1420.90  182.462   90.409   8.6332  106.512   7.2985 -16.10300 11.30492 
1 1 1   11   28   18 o   65.221   3.7382  511.666   57.332  540.900   81.127  482.500   81.033   66.500   5.2079   62.645   5.5348 3.855015 7.599736 
1 1 1   11   28   19 o   35.535   2.3730  150.758   19.797  144.800   28.017  156.700   27.978   34.603   3.4759   36.044   3.3246 -1.441601 4.809868 
1 1 1   11   28   20 o   57.110   3.3569  391.988   45.071  380.600   63.706  403.400   63.774   55.726   4.8908   57.442   4.7441 -1.716537 6.813679 
1 1 1   11   28   21 o   54.112   3.2097  351.888   40.829  368.800   57.761  335.000   57.721   54.950   4.4908   52.260   4.7287 2.689869 6.521297 
1 1 1   11   28   22 o   35.120   2.3656  147.567   19.504  135.500   27.603  159.600   27.563   33.365   3.5584   36.325   3.2476 -2.960407 4.817601 
1 1 1   11   28   23 o   16.674   1.7251   33.347   6.6943   32.600   9.4510   34.100   9.4833   16.339   2.5315   16.729   2.4753 -0.3907413 3.540595 
1 1 1   11   28   24 f   33.349   2.2853  133.277   17.888  139.800   25.342  126.800   25.255   33.925   3.2013   32.247   3.3662 1.677925 4.645337 
1 1 1   11   28   25 o   42.854   2.5731  220.831   25.918  265.600   36.764  176.600   36.542   46.728   3.3542   37.738   4.1704 8.989532 5.351896 
1 1 1   11   28   26 o   59.842   3.5420  437.135   49.828  442.900   70.560  431.400   70.376   59.221   5.0953   58.397   5.1565 0.8239708 7.249249 
1 1 1   11   28   27 o   29.136   2.0978  101.910   14.336  115.700   20.304   88.200   20.245   30.858   2.8175   26.770   3.2707 4.087700 4.316930 
1 1 1   11   28   28 o   27.756   2.0267   92.513   13.192   82.800   18.574  102.400   18.740   25.958   3.0909   29.006   2.7696 -3.048634 4.150236 
1 1 1   11   28   29 o   31.444   2.1533  118.924   15.892  138.800   22.575   99.400   22.375   33.755   2.8591   28.332   3.4131 5.422617 4.452373 
1 1 1   11   28   30 f   34.451   2.3369  143.191   18.898  161.900   26.733  124.500   26.720   36.338   3.1465   31.628   3.6443 4.709753 4.814708 
1 1 1   11   28   31 o   17.726   1.7571   37.835   7.2577   35.900   10.225   39.800   10.303   17.059   2.6223   18.016   2.4883 -0.9569225 3.615014 
1 1 1   11   28   32 o   13.239   1.7497   21.269   5.3360   22.000   7.7219   20.600   7.3821   13.288   2.5538   12.855   2.5221 0.4328270 3.589245 
1 1 1   11   28   33 o   52.183   3.2242  335.488   39.535  346.700   55.816  324.200   56.006   51.962   4.5964   50.061   4.7964 1.900597 6.643225 
1 1 1   11   28   34 o   12.509   1.7077   19.041   4.9124   19.400   7.0362   18.700   6.8616   12.446   2.4812   12.218   2.4633 0.2278271 3.496267 
1 1 1   11   28   35 o   24.846   1.9736   74.713   11.484   62.000   16.217   87.500   16.264   22.179   3.1881   26.665   2.6168 -4.485874 4.124516 
1 1 1   11   28   36 o   13.380   1.7174   21.805   5.3008   21.000   7.5191   22.600   7.4741   12.905   2.5579   13.430   2.4469 -0.5258427 3.539789 
1 1 1   11   28   37 o   32.889   2.3260  132.524   17.947  131.300   25.120  133.800   25.650   32.117   3.3621   32.395   3.4041 -0.2778015 4.784562 
1 1 1   11   28   38 o   34.727   2.3646  148.289   19.275  138.100   26.864  159.100   27.672   32.725   3.5325   35.280   3.3623 -2.555298 4.876818 
1 1 1   11   28   39 o   26.903   2.1276   88.635   13.406   87.500   18.836   89.800   19.083   26.215   3.1031   26.562   3.1009 -0.3473072 4.386897 
1 1 1   11   28   40 o   26.614   2.1219   86.972   13.224   94.900   18.735   79.100   18.669   27.336   2.9491   24.733   3.2771 2.602390 4.408730 
1 1 1   11   28   41 o   12.134   1.9422   18.338   5.3774   19.600   7.6422   17.100   7.5678   12.297   2.7053   11.443   2.8190 0.8538017 3.907115 
1 1 1   11   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   28   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29    0 o  137.018   11.076  2353.90  352.967  2353.90  352.967  2353.90  352.967  137.018   11.076  137.018   11.076 -0.000000 0.000000 
1 1 1   11   29    1 o   80.741   4.4606  782.937   84.716  738.600  119.522  827.700  120.093   77.647   6.5806   82.380   6.2194 -4.733696 9.054574 
1 1 1   11   29    2 o   82.727   4.5832  822.675   89.182  1008.20  126.166  637.400  126.080   91.094   5.8969   71.661   7.5652 19.43338 9.591939 
1 1 1   11   29    3 o   79.103   4.5387  752.286   84.424  841.400  119.270  662.800  119.519   83.078   6.1229   73.329   6.9869 9.749115 9.290128 
1 1 1   11   29    4 o   29.609   2.1727  104.427   15.085  116.600   21.266   92.100   21.401   31.192   2.9213   27.617   3.3502 3.575445 4.445002 
1 1 1   11   29    5 o  147.614   8.3704  2717.99  290.565  2911.20  410.662  2524.30  411.179  148.997   11.768  137.446   12.817 11.55063 17.39960 
1 1 1   11   29    6 o   32.407   3.2185  126.200   24.304  126.200   24.304   0.0000   0.0000   32.407   3.2185  ?   ?  0.000000 3.218502 
1 1 1   11   29    7 o   11.740   1.5235   16.575   4.1239   8.7000   5.2965   28.700   6.5721   8.4901   2.4840   15.462   1.8358 -6.972239 3.088779 
1 1 1   11   29    8 o   51.253   2.9969  313.464   36.113  288.500   50.834  338.900   51.312   48.845   4.4564   53.055   4.1282 -4.209782 6.074694 
1 1 1   11   29    9 o   48.807   2.9422  284.299   33.751  277.800   47.547  290.900   47.917   47.967   4.2415   49.111   4.1714 -1.143665 5.948971 
1 1 1   11   29   10 f   71.663   4.2354  617.809   71.354  676.500  100.604  558.400  101.217   74.426   5.7695   67.296   6.4485 7.130135 8.652746 
1 1 1   11   29   11 o   30.101   2.1478  107.959   15.167   97.300   21.408  118.700   21.490   28.393   3.2516   31.454   2.9268 -3.060991 4.374856 
1 1 1   11   29   12 o   87.682   4.8418  930.178   99.860  895.800  140.573  965.200  141.884   84.893   7.0770   88.269   6.8610 -3.375999 9.856830 
1 1 1   11   29   13 f   68.845   4.0749  570.456   65.950  646.100   93.079  494.200   93.456   72.748   5.4581   63.199   6.3481 9.549236 8.371947 
1 1 1   11   29   14 o   41.244   2.5696  202.947   24.902  191.700   34.908  214.600   35.533   39.843   3.7546   42.211   3.5992 -2.367828 5.201093 
1 1 1   11   29   15 o   73.334   4.3810  649.928   75.519  720.800  106.407  578.000  107.197   76.525   5.9349   68.066   6.7588 8.459290 8.994704 
1 1 1   11   29   16 o   61.858   3.6128  459.731   52.542  481.400   74.253  438.000   74.359   62.796   5.0502   59.771   5.3242 3.024830 7.338352 
1 1 1   11   29   17 o   34.018   2.3057  138.104   18.412  134.700   26.055  141.500   26.023   33.397   3.3490   34.257   3.2560 -0.8605652 4.670910 
1 1 1   11   29   18 o   18.000   1.7640   38.768   7.4015   41.100   10.541   36.500   10.395   18.424   2.4865   17.318   2.6242 1.105955 3.615124 
1 1 1   11   29   19 o   35.774   2.3661  152.884   19.875  167.400   28.123  138.400   28.092   37.262   3.2281   33.771   3.5772 3.490845 4.818427 
1 1 1   11   29   20 o   25.928   2.0164   80.325   12.248   77.400   17.396   83.200   17.248   25.271   2.9720   26.243   2.8279 -0.9721394 4.102417 
1 1 1   11   29   21 o   67.513   3.7986  552.622   60.313  609.700   85.429  495.900   85.162   70.144   5.1946   62.857   5.8031 7.286953 7.788412 
1 1 1   11   29   22 o   24.549   1.9589   72.108   11.261   71.000   15.982   73.200   15.870   24.181   2.8540   24.573   2.7841 -0.3924923 3.987069 
1 1 1   11   29   23 o   62.080   3.5794  468.443   52.249  529.700   73.956  407.400   73.827   65.277   4.8322   56.729   5.5835 8.547962 7.384173 
1 1 1   11   29   24 o   31.802   2.0236  121.010   15.118  152.300   21.552   90.700   21.212   35.554   2.5847   27.170   3.3791 8.383707 4.254282 
1 1 1   11   29   25 f   55.225   3.2604  370.750   42.330  396.700   59.979  345.000   59.748   56.386   4.5432   52.339   4.8910 4.046711 6.675556 
1 1 1   11   29   26 o   22.359   1.8716   59.987   9.7908   64.800   13.940   55.300   13.755   23.080   2.6032   21.245   2.8108 1.834795 3.831128 
1 1 1   11   29   27 o   39.686   2.5283  190.112   23.570  209.300   33.410  171.100   33.256   41.265   3.4607   37.107   3.8514 4.157925 5.177818 
1 1 1   11   29   28 o   36.996   2.4660  165.274   21.420  176.200   30.260  154.300   30.325   37.824   3.4251   35.257   3.6975 2.567371 5.040152 
1 1 1   11   29   29 o   39.737   2.5644  191.039   23.934  187.900   33.788  194.200   33.907   38.896   3.7243   39.575   3.6700 -0.6797752 5.228722 
1 1 1   11   29   30 o   39.701   2.5105  190.663   23.414  176.700   33.011  204.800   33.215   37.657   3.7627   40.709   3.4890 -3.052006 5.131392 
1 1 1   11   29   31 o   36.135   2.4112  157.940   20.456  153.200   28.898  162.700   28.961   35.112   3.5334   36.247   3.4242 -1.135044 4.920338 
1 1 1   11   29   32 o   19.792   1.8264   47.217   8.4393   56.900   11.925   37.500   11.945   21.600   2.3773   17.293   3.0360 4.307325 3.856038 
1 1 1   11   29   33 o   31.396   2.2568  119.498   16.619  130.300   23.452  108.600   23.555   32.427   3.1005   29.411   3.4576 3.015631 4.644099 
1 1 1   11   29   34 o   44.605   2.8311  244.792   29.665  242.800   41.874  246.800   42.033   43.458   4.1301   43.835   4.1087 -0.3768730 5.825694 
1 1 1   11   29   35 o   13.005   1.6797   20.583   5.0377   29.600   7.1924   11.900   7.0582   15.550   2.0055   9.7353   2.8730 5.815135 3.503711 
1 1 1   11   29   36 o   17.992   1.7400   39.253   7.3004   35.500   10.197   43.200   10.456   16.810   2.6572   18.662   2.4305 -1.852062 3.601120 
1 1 1   11   29   37 o   32.363   2.1480  127.875   16.322  158.800   23.265   97.900   22.904   35.694   2.7822   27.475   3.6184 8.219484 4.564382 
1 1 1   11   29   38 o   9.4794   2.1370   11.349   4.6693   16.900   6.4165   5.1000   6.8076   11.534   2.4324   7.3947   2.8151 4.139637 3.720370 
1 1 1   11   29   39 o   18.427   1.8653   41.502   8.0045   51.500   11.530   32.200   11.121   20.312   2.4535   15.737   3.1030 4.575129 3.955827 
1 1 1   11   29   40 o   15.224   1.7633   28.394   6.2217   32.600   9.1657   24.800   8.4728   16.056   2.4987   13.895   2.6795 2.161374 3.663765 
1 1 1   11   29   41 o   24.890   3.1202   80.900   17.936   0.0000   0.0000   80.900   17.936  ?   ?    24.890   3.1202 0.000000 3.120247 
1 1 1   11   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   29   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   30    0 o   14.045   3.3099   26.900   9.5350   26.900   9.5350   26.900   9.5350   14.045   3.3099   14.045   3.3099 0.000000 0.000000 
1 1 1   11   30    1 o   15.595   1.7811   29.160   6.4414   28.000   8.7992   30.500   9.4552   15.156   2.5491   15.822   2.6226 -0.6654692 3.657303 
1 1 1   11   30    2 o  112.943   6.2814  1558.66  166.862  1543.60  235.698  1573.80  236.259  110.366   9.1258  111.508   9.0508 -1.141617 12.85288 
1 1 1   11   30    3 o  119.366   6.6576  1748.15  186.909  2112.60  264.329  1383.70  264.329  129.577   8.6891  102.809   11.062 26.76784 14.06671 
1 1 1   11   30    4 f   60.144   3.3637  432.408   47.580  380.100   67.009  485.600   67.572   55.911   5.1327   63.437   4.5410 -7.525703 6.853123 
1 1 1   11   30    5 o   24.216   1.9278   69.891   10.933   60.200   15.263   80.100   15.666   22.305   2.9718   25.844   2.6025 -3.538971 3.950269 
1 1 1   11   30    6 o   52.025   3.1668  323.469   38.719  344.500   54.603  302.200   54.912   53.412   4.3675   49.909   4.7152 3.503113 6.427164 
1 1 1   11   30    7 o   97.821   5.5907  1164.05  128.604  1325.20  181.704  1002.30  182.043  103.202   7.5076   88.841   8.7930 14.36018 11.56205 
1 1 1   11   30    8 o   84.304   4.6092  857.588   91.408  800.000  128.650  916.300  129.900   80.382   6.8429   86.295   6.4207 -5.912613 9.383546 
1 1 1   11   30    9 o   76.834   4.0387  709.377   73.018  594.900  102.787  826.000  103.746   69.449   6.3375   82.393   5.3615 -12.94408 8.301194 
1 1 1   11   30   10 o   68.479   3.9702  563.749   63.924  581.600   90.154  545.700   90.653   68.965   5.5838   66.693   5.8144 2.272095 8.061412 
1 1 1   11   30   11 o  112.423   6.2534  1553.62  165.353  1511.30  233.362  1596.30  234.329  108.437   9.2005  111.690   8.9602 -3.253860 12.84267 
1 1 1   11   30   12 o   23.114   1.8686   63.714   10.112   58.100   14.077   69.700   14.535   21.926   2.7815   24.077   2.5977 -2.151413 3.805835 
1 1 1   11   30   13 o   66.925   3.8861  538.924   61.149  547.900   86.126  529.800   86.834   66.861   5.5039   65.675   5.6544 1.186516 7.890802 
1 1 1   11   30   14 o   50.020   3.0508  299.499   35.862  303.700   50.429  295.200   51.009   50.036   4.3102   49.289   4.4300 0.7473030 6.180822 
1 1 1   11   30   15 o   57.641   3.3864  398.841   45.890  396.000   64.800  401.700   64.998   56.941   4.8660   57.361   4.8440 -0.4197044 6.866047 
1 1 1   11   30   16 o   83.192   4.7379  842.298   92.690  775.800  131.130  908.700  131.036   78.345   7.1675   85.279   6.5573 -6.934044 9.714473 
1 1 1   11   30   17 o   27.560   2.0727   90.681   13.390   79.700   18.963  101.600   18.910   25.619   3.2046   29.058   2.7902 -3.438707 4.249089 
1 1 1   11   30   18 o  112.037   6.2427  1568.92  164.501  1697.00  232.945  1441.50  232.336  113.574   8.7533  103.571   9.6093 10.00365 12.99847 
1 1 1   11   30   19 o   18.818   1.7969   42.400   7.8875   44.900   11.155   39.900   11.155   19.247   2.5145   18.089   2.6937 1.157928 3.684885 
1 1 1   11   30   20 o   38.934   2.5311  181.710   23.143  177.400   32.767  186.000   32.692   38.149   3.6833   39.103   3.5803 -0.9543152 5.136669 
1 1 1   11   30   21 o   69.375   4.0193  587.696   65.561  596.100   92.739  579.300   92.697   68.689   5.7711   67.640   5.8616 1.049339 8.225801 
1 1 1   11   30   22 o   49.693   2.9700  298.102   34.691  321.900   49.162  274.500   48.959   51.146   4.1052   47.034   4.4616 4.112289 6.062856 
1 1 1   11   30   23 o   12.390   1.6768   18.569   4.7797   14.900   6.6060   22.600   6.9242   10.933   2.5973   13.584   2.2365 -2.650824 3.427531 
1 1 1   11   30   24 o   36.164   2.4171  157.345   20.522  159.400   29.057  155.300   28.988   36.057   3.4550   35.571   3.4964 0.4860458 4.915447 
1 1 1   11   30   25 o   48.154   2.9782  281.419   33.699  288.900   47.597  273.900   47.718   48.142   4.2298   46.784   4.3700 1.357388 6.081779 
1 1 1   11   30   26 o   76.548   4.5266  735.045   81.458  710.700  115.306  759.300  115.093   72.669   6.7986   75.490   6.5205 -2.820961 9.420025 
1 1 1   11   30   27 o   39.205   2.5440  185.745   23.424  180.400   33.112  191.100   33.142   38.141   3.7240   39.320   3.6097 -1.179447 5.186344 
1 1 1   11   30   28 f   20.360   1.7561   49.775   8.3603   60.600   11.980   39.500   11.672   22.357   2.3022   17.855   2.8652 4.501949 3.675557 
1 1 1   11   30   29 o   28.925   2.1585  100.813   14.637  115.600   20.656   85.900   20.743   30.754   2.8778   26.280   3.4240 4.473955 4.472761 
1 1 1   11   30   30 o   9.1263   1.7551   10.265   3.6449   14.500   5.3132   6.5000   5.0095   10.812   2.1567   7.4840   2.4548 3.327927 3.267624 
1 1 1   11   30   31 o   32.889   2.2730  130.785   17.544  127.200   24.761  134.400   24.861   32.011   3.3242   32.954   3.2367 -0.9426384 4.639678 
1 1 1   11   30   32 o   29.580   2.1302  105.814   14.780  101.300   20.819  110.400   20.986   28.549   3.1401   29.872   3.0164 -1.323233 4.354209 
1 1 1   11   30   33 o   8.2688   1.7256   8.4830   3.2605   5.1000   4.4781   12.300   4.7567   6.7630   2.3222   9.9249   2.0954 -3.161932 3.127845 
1 1 1   11   30   34 o   14.589   1.7196   25.846   5.8102   26.100   8.2791   25.600   8.1560   14.444   2.5190   14.305   2.5058 0.1382923 3.553054 
1 1 1   11   30   35 o   9.7379   1.8938   11.802   4.1980   10.500   6.3717   12.800   5.5805   9.1574   2.7362   10.052   2.3866 -0.8948736 3.630827 
1 1 1   11   30   36 o   32.828   2.1090  131.335   16.262  167.400   23.464   98.000   22.559   36.707   2.7266   27.553   3.5498 9.153330 4.476056 
1 1 1   11   30   37 o   38.002   2.5978  178.919   23.172  182.900   32.694  174.900   32.847   37.507   3.7414   36.563   3.8630 0.9436798 5.377752 
1 1 1   11   30   38 o   20.146   2.8845   51.600   13.331   0.0000   0.0000   51.600   13.331  ?   ?    20.146   2.8845 0.000000 2.884484 
1 1 1   11   30   39 o   16.158   2.9804   33.800   10.953   0.0000   0.0000   33.800   10.953  ?   ?    16.158   2.9804 0.000000 2.980448 
1 1 1   11   30   40 o   20.414   2.8600   53.700   13.408   0.0000   0.0000   53.700   13.408  ?   ?    20.414   2.8600 0.000000 2.859964 
1 1 1   11   30   41 o   32.103   3.6804  141.700   27.396   0.0000   0.0000  141.700   27.396  ?   ?    32.103   3.6804 0.000000 3.680385 
1 1 1   11   30   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   30   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   30   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   30   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   31    0 o   53.995   4.7049  355.300   58.941  355.300   58.941  355.300   58.941   53.995   4.7049   53.995   4.7049 -0.000000 0.000000 
1 1 1   11   31    1 o  127.588   7.0336  2012.54  211.092  2240.20  298.900  1786.00  298.160  132.070   9.6511  116.514   10.966 15.55592 14.60810 
1 1 1   11   31    2 o   62.934   3.7164  475.038   54.984  445.800   78.011  503.900   77.509   60.388   5.5322   64.376   5.1417 -3.987602 7.552660 
1 1 1   11   31    3 o   59.838   3.5406  429.012   49.806  485.900   70.367  371.900   70.505   63.342   4.7388   55.124   5.4894 8.217979 7.251922 
1 1 1   11   31    4 o   35.441   2.2290  149.555   18.559  117.400   26.030  182.800   26.468   31.147   3.6058   39.094   2.8875 -7.946943 4.619485 
1 1 1   11   31    5 o   31.184   2.1957  115.890   16.065  114.700   22.624  117.100   22.815   30.871   3.1476   31.197   3.1397 -0.3261681 4.445838 
1 1 1   11   31    6 o   72.606   4.2314  634.930   72.232  732.900  102.032  536.500  102.271   77.460   5.6164   65.746   6.6803 11.71338 8.727554 
1 1 1   11   31    7 o   33.196   2.1326  131.206   16.629  100.300   23.370  162.900   23.666   28.770   3.5129   36.913   2.7345 -8.142525 4.451740 
1 1 1   11   31    8 o   54.650   3.2470  357.513   41.713  419.400   58.985  295.600   58.997   58.926   4.2680   49.145   5.1609 9.780704 6.697063 
1 1 1   11   31    9 f   45.523   2.8583  247.650   30.570  267.300   43.123  227.800   43.341   47.062   3.9160   43.322   4.2933 3.739780 5.810947 
1 1 1   11   31   10 o   30.960   2.2345  114.341   16.226  128.100   22.872  100.400   23.023   32.653   2.9999   28.785   3.4563 3.868439 4.576661 
1 1 1   11   31   11 o   44.831   2.6374  239.869   27.797  202.400   39.039  278.400   39.588   40.844   4.1032   48.120   3.5081 -7.276741 5.398432 
1 1 1   11   31   12 o   19.018   1.7832   43.230   7.9145   34.300   11.150   52.300   11.237   16.726   2.9297   20.857   2.3208 -4.131027 3.737568 
1 1 1   11   31   13 o   47.760   3.0147  273.259   33.825  297.500   47.585  248.500   48.091   49.545   4.1043   45.105   4.5786 4.439240 6.148909 
1 1 1   11   31   14 o   64.327   3.8276  499.103   57.879  532.400   81.546  465.300   82.163   65.827   5.2908   61.299   5.7432 4.527729 7.808752 
1 1 1   11   31   15 o   70.139   3.9793  594.625   65.636  633.200   92.913  556.200   92.733   71.625   5.5365   66.889   5.9326 4.735497 8.114749 
1 1 1   11   31   16 o   45.248   2.7619  245.236   29.368  268.000   41.591  222.600   41.475   47.025   3.7774   42.708   4.1657 4.316998 5.623328 
1 1 1   11   31   17 o   50.689   3.0005  308.639   35.754  344.900   50.642  272.600   50.486   53.226   4.0599   47.079   4.6001 6.147259 6.135443 
1 1 1   11   31   18 o   9.4266   1.8026   10.899   3.8663   15.000   5.4045   6.6000   5.5334   11.042   2.1500   7.6806   2.5819 3.361853 3.359866 
1 1 1   11   31   19 o   41.173   2.6153  203.487   25.295  212.100   35.801  194.900   35.745   41.715   3.6719   39.916   3.8397 1.798347 5.312841 
1 1 1   11   31   20 o   11.411   1.7254   15.809   4.5038   19.000   6.5827   13.000   6.1755   12.420   2.3300   10.227   2.5625 2.193562 3.463417 
1 1 1   11   31   21 o   19.243   1.8045   44.417   8.1041   42.400   11.371   46.500   11.553   18.624   2.6612   19.542   2.5656 -0.9177361 3.696509 
1 1 1   11   31   22 o   28.835   2.1065   99.725   14.244  111.800   20.165   87.700   20.123   30.353   2.8466   26.736   3.2545 3.617712 4.323824 
1 1 1   11   31   23 o   70.128   4.0936  607.468   67.496  630.100   95.520  584.900   95.386   69.867   5.8434   67.058   6.0902 2.808502 8.440157 
1 1 1   11   31   24 o   41.052   2.6345  203.556   25.403  207.900   35.901  199.200   35.950   41.027   3.7472   40.107   3.8429 0.9194374 5.367451 
1 1 1   11   31   25 o   43.838   2.7568  232.747   28.392  239.000   40.161  226.500   40.144   43.875   3.9176   42.641   4.0349 1.233780 5.623848 
1 1 1   11   31   26 o   15.985   1.6831   30.753   6.2575   40.600   9.0413   21.700   8.6692   18.300   2.1322   13.151   2.8720 5.149231 3.576988 
1 1 1   11   31   27 o   14.341   1.7478   24.868   5.7964   19.300   8.2485   30.300   8.1472   12.386   2.8754   15.742   2.2562 -3.355671 3.654951 
1 1 1   11   31   28 o   28.621   2.0967   98.603   14.072  120.300   19.922   77.000   19.879   31.437   2.7102   24.838   3.4853 6.599760 4.415047 
1 1 1   11   31   29 o   29.174   2.0238  102.365   13.856   84.400   19.470  120.800   19.723   26.100   3.2279   31.498   2.6771 -5.398167 4.193595 
1 1 1   11   31   30 o   17.987   1.7878   39.026   7.4926   42.100   10.551   35.900   10.642   18.517   2.4750   16.999   2.7445 1.517797 3.695631 
1 1 1   11   31   31 o   25.704   2.0253   79.825   12.193   87.800   17.217   71.800   17.271   26.711   2.7700   23.996   3.1219 2.715464 4.173585 
1 1 1   11   31   32 f   20.772   1.8199   52.114   8.8366   48.800   12.430   55.500   12.565   19.820   2.7281   21.217   2.5596 -1.396818 3.740833 
1 1 1   11   31   33 o   26.542   2.0630   85.458   12.828   80.300   18.156   90.600   18.127   25.304   3.1037   26.998   2.8882 -1.694656 4.239656 
1 1 1   11   31   34 o   16.451   1.7057   32.821   6.5298   27.500   9.1274   38.400   9.3456   14.742   2.7223   17.632   2.2993 -2.890407 3.563360 
1 1 1   11   31   35 o   23.898   1.9730   69.507   11.035   71.000   15.842   68.100   15.379   23.765   2.8818   23.281   2.8574 0.4844513 4.058295 
1 1 1   11   31   36 o   16.617   1.7592   33.613   6.7980   40.500   9.9571   27.600   9.3037   18.044   2.3961   14.710   2.7804 3.334456 3.670397 
1 1 1   11   31   37 o   6.1754   2.0728   4.3919   3.5662   10.700   4.9888  -2.2000   5.0998   9.1755   2.3054   4.7923   2.1547 4.383231 3.155577 
1 1 1   11   31   38 o   29.439   3.2916  111.800   22.491   0.0000   0.0000  111.800   22.491  ?   ?    29.439   3.2916 0.000000 3.291603 
1 1 1   11   31   39 f   25.336   3.1862   83.600   18.641   0.0000   0.0000   83.600   18.641  ?   ?    25.336   3.1862 0.000000 3.186232 
1 1 1   11   31   40 o   17.162   2.7985   38.500   10.950   0.0000   0.0000   38.500   10.950  ?   ?    17.162   2.7985 0.000000 2.798489 
1 1 1   11   31   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   31   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   31   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   32    0 o  117.555   9.6291  1736.60  263.170  1736.60  263.170  1736.60  263.170  117.555   9.6291  117.555   9.6291 -0.000000 0.000000 
1 1 1   11   32    1 o   35.958   2.4543  154.265   20.715  189.400   29.247  118.900   29.343   39.738   3.1425   31.228   4.0765 8.510054 5.147178 
1 1 1   11   32    2 o   39.074   2.5584  182.196   23.476  183.400   33.261  181.000   33.138   38.991   3.6552   38.730   3.6671 0.2605591 5.177631 
1 1 1   11   32    3 o   43.435   2.7262  225.264   27.820  211.600   39.293  239.000   39.395   41.813   4.0294   44.522   3.7831 -2.708332 5.527008 
1 1 1   11   32    4 o   56.819   3.4009  386.922   45.420  405.300   64.024  368.300   64.446   57.763   4.7355   54.948   5.0224 2.814144 6.902866 
1 1 1   11   32    5 o   68.147   3.6947  557.477   59.233  485.800   83.353  630.600   84.190   62.894   5.6735   72.021   4.9810 -9.126549 7.549715 
1 1 1   11   32    6 o   51.965   3.0970  323.095   37.831  315.500   53.139  330.900   53.870   50.990   4.4581   52.244   4.4078 -1.253635 6.269246 
1 1 1   11   32    7 o   46.288   2.7575  255.885   30.004  235.600   42.061  276.900   42.811   44.105   4.0850   47.916   3.8153 -3.811005 5.589583 
1 1 1   11   32    8 o   47.211   2.8099  266.334   31.183  246.500   43.706  286.900   44.504   45.090   4.1514   48.744   3.8991 -3.653484 5.695411 
1 1 1   11   32    9 o   30.833   2.2032  113.428   15.936  117.900   22.467  108.900   22.607   31.286   3.0810   30.024   3.2400 1.262102 4.471070 
1 1 1   11   32   10 o   37.856   2.2977  170.868   20.442  134.700   28.683  208.200   29.142   33.313   3.7093   41.673   2.9811 -8.359604 4.758786 
1 1 1   11   32   11 o   48.738   2.9793  284.510   34.123  285.400   47.998  283.600   48.521   48.466   4.2365   48.292   4.2999 0.1745300 6.036312 
1 1 1   11   32   12 o   52.073   3.1541  325.307   38.600  383.400   54.562  267.100   54.616   56.238   4.1377   46.575   5.0467 9.663486 6.526083 
1 1 1   11   32   13 o   54.667   3.2466  359.070   41.722  404.000   59.023  314.200   58.984   57.605   4.3717   50.516   5.0109 7.089199 6.649852 
1 1 1   11   32   14 o   21.496   1.8182   55.204   9.1424   65.900   13.019   44.800   12.841   23.409   2.3888   19.147   2.9336 4.262220 3.783114 
1 1 1   11   32   15 o   50.446   3.0532  305.903   36.199  335.900   51.190  275.900   51.196   52.479   4.1651   47.346   4.6388 5.132854 6.234281 
1 1 1   11   32   16 o   69.060   3.9907  580.050   64.801  580.300   91.652  579.800   91.634   68.019   5.7604   67.989   5.7619 0.3046417E-01 8.147450 
1 1 1   11   32   17 o   42.802   2.6429  219.875   26.581  196.700   37.491  243.300   37.693   40.044   4.0190   44.731   3.5990 -4.687263 5.394934 
1 1 1   11   32   18 o   33.984   2.3241  138.461   18.539  137.100   26.326  139.800   26.111   33.539   3.3696   33.891   3.3047 -0.3512154 4.719733 
1 1 1   11   32   19 o   27.263   2.0420   89.036   13.051   94.500   18.480   83.600   18.433   27.909   2.8438   26.183   3.0378 1.726593 4.161173 
1 1 1   11   32   20 o   50.830   3.0657  312.693   36.624  329.800   51.882  295.700   51.708   51.612   4.2960   48.718   4.5473 2.893688 6.255703 
1 1 1   11   32   21 f   41.261   2.5973  205.119   25.177  228.200   35.668  182.200   35.544   43.173   3.5296   38.358   3.9822 4.815804 5.321260 
1 1 1   11   32   22 o   81.445   4.7715  832.762   91.366  821.200  129.276  844.300  129.145   78.166   7.0807   79.429   6.9556 -1.263100 9.925560 
1 1 1   11   32   23 o   18.335   1.7843   40.410   7.6270   38.700   10.820   42.100   10.753   17.745   2.6645   18.559   2.5188 -0.8142490 3.666528 
1 1 1   11   32   24 o   35.665   2.4190  153.389   20.251  131.100   28.665  175.600   28.615   32.452   3.8134   37.871   3.2306 -5.419579 4.997914 
1 1 1   11   32   25 o   34.120   2.3277  140.298   18.642  139.500   26.334  141.100   26.395   33.660   3.3579   33.859   3.3450 -0.1994400 4.739742 
1 1 1   11   32   26 o   3.5100   1.4258   0.5752   1.8484  -3.3000   2.8185   3.5000   2.4486   3.0901   1.4614   5.4494   1.7095 -2.359288 2.249046 
1 1 1   11   32   27 o   45.700   2.8220  253.911   30.304  270.000   42.977  238.000   42.738   46.502   3.9512   43.479   4.2156 3.022678 5.777823 
1 1 1   11   32   28 o   26.406   2.0820   84.046   12.876   70.200   18.274   97.700   18.147   23.722   3.3559   28.276   2.7527 -4.554304 4.340463 
1 1 1   11   32   29 o   30.464   2.1313  111.995   15.236  127.700   21.654   96.600   21.440   32.266   2.8721   27.848   3.3263 4.418152 4.394657 
1 1 1   11   32   30 o   17.455   1.7647   36.800   7.1736   36.800   10.133   36.800   10.157   17.245   2.5667   17.243   2.5732 0.1890182E-02 3.634453 
1 1 1   11   32   31 f   24.382   1.9661   71.896   11.224   71.000   15.841   72.800   15.904   23.917   2.8617   24.233   2.8328 -0.3165817 4.026670 
1 1 1   11   32   32 f   25.840   2.0224   80.936   12.242   72.600   17.299   89.300   17.327   24.038   3.1212   26.856   2.7721 -2.817335 4.174459 
1 1 1   11   32   33 o   17.673   1.7605   37.880   7.2493   43.400   10.419   32.700   10.093   18.725   2.4125   16.099   2.7540 2.625929 3.661206 
1 1 1   11   32   34 o   14.290   1.7748   24.932   5.8599   22.900   8.3546   26.900   8.2213   13.402   2.7325   14.644   2.4651 -1.241130 3.680141 
1 1 1   11   32   35 o   8.9742   2.4577   10.200   5.3614   0.0000   0.0000   10.200   5.3614  ?   ?    8.9742   2.4577 0.000000 2.457737 
1 1 1   11   32   36 o   14.723   2.9187   27.900   9.7886   0.0000   0.0000   27.900   9.7886  ?   ?    14.723   2.9187 0.000000 2.918657 
1 1 1   11   32   37 f   23.130   2.9710   68.200   15.852   0.0000   0.0000   68.200   15.852  ?   ?    23.130   2.9710 0.000000 2.971015 
1 1 1   11   32   38 o   24.475   3.2042   78.000   18.074   0.0000   0.0000   78.000   18.074  ?   ?    24.475   3.2042 0.000000 3.204218 
1 1 1   11   32   39 o   5.6824   2.2832   2.2000   4.6841   0.0000   0.0000   2.2000   4.6841  ?   ?    5.6824   2.2832 0.000000 2.283228 
1 1 1   11   32   40 o   17.972   2.8344   42.900   11.630   0.0000   0.0000   42.900   11.630  ?   ?    17.972   2.8344 0.000000 2.834354 
1 1 1   11   32   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   32   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   32   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   33    0 o  122.690   10.125  1910.30  288.745  1910.30  288.745  1910.30  288.745  122.690   10.125  122.690   10.125 0.000000 0.000000 
1 1 1   11   33    1 o   73.590   3.9857  652.372   69.002  510.500   97.285  796.000   97.885   63.986   6.5303   80.784   5.1582 -16.79847 8.321745 
1 1 1   11   33    2 o   28.937   2.1472   99.906   14.567  100.500   20.494   99.300   20.710   28.871   3.0525   28.685   3.1072 0.1855450 4.355685 
1 1 1   11   33    3 o   25.817   2.0443   79.551   12.361   74.400   17.569   84.600   17.393   24.790   3.0668   26.504   2.8225 -1.714312 4.167970 
1 1 1   11   33    4 o   33.095   2.2690  130.676   17.625  143.600   25.253  118.400   24.611   34.546   3.1296   31.289   3.3850 3.257523 4.610105 
1 1 1   11   33    5 o   18.961   1.7898   42.981   7.9190   52.900   11.701   34.600   10.756   20.962   2.4077   16.822   2.8067 4.139666 3.697883 
1 1 1   11   33    6 o   46.050   2.7045  253.370   29.280  211.400   41.153  296.400   41.669   41.675   4.2409   49.609   3.5811 -7.933811 5.550651 
1 1 1   11   33    7 o   46.695   2.7335  260.620   30.009  334.100   42.536  187.800   42.344   52.714   3.4359   39.115   4.6772 13.59954 5.803601 
1 1 1   11   33    8 o   68.885   3.8443  572.092   62.282  523.300   87.716  621.700   88.448   65.032   5.7721   71.169   5.3010 -6.137062 7.836914 
1 1 1   11   33    9 o   54.634   3.2449  358.372   41.675  351.600   58.603  365.300   59.277   53.640   4.6733   54.699   4.6328 -1.058060 6.580488 
1 1 1   11   33   10 f   90.411   5.1704  1002.85  109.926  1045.80  155.278  959.700  155.641   90.661   7.3154   86.497   7.7007 4.164619 10.62150 
1 1 1   11   33   11 o   32.271   2.2094  124.387   16.735  108.000   23.621  140.900   23.712   29.810   3.4174   34.206   2.9650 -4.395842 4.524365 
1 1 1   11   33   12 o   13.099   1.8445   20.758   5.5472   14.000   7.6147   28.400   8.0975   10.655   2.9335   15.279   2.3171 -4.623559 3.738246 
1 1 1   11   33   13 o   32.919   2.2272  129.550   17.211  118.600   23.922  141.300   24.781   31.258   3.2904   34.195   3.1027 -2.937283 4.522567 
1 1 1   11   33   14 o   41.886   2.5298  210.186   24.905  246.400   35.376  174.600   35.067   45.130   3.3433   37.742   3.9954 7.387806 5.209724 
1 1 1   11   33   15 o   48.947   2.9016  288.230   33.388  327.000   47.322  249.800   47.114   51.770   3.8997   44.965   4.4976 6.804424 5.952775 
1 1 1   11   33   16 o   47.298   2.8939  269.528   32.166  256.800   45.450  282.300   45.528   45.632   4.2675   47.956   4.0586 -2.323887 5.889304 
1 1 1   11   33   17 o   73.125   4.2139  657.389   72.455  595.400  102.416  719.500  102.518   67.791   6.4766   75.193   5.8190 -7.402092 8.706789 
1 1 1   11   33   18 o   50.026   3.0577  302.769   35.947  299.000   50.964  306.500   50.710   49.065   4.4471   49.726   4.3627 -0.6615067 6.229778 
1 1 1   11   33   19 o   38.000   2.4719  173.694   22.060  163.800   31.110  183.700   31.286   36.498   3.6589   38.751   3.4552 -2.252640 5.032492 
1 1 1   11   33   20 o   22.803   1.8878   62.372   10.074   72.300   14.378   52.800   14.118   24.420   2.5301   20.716   2.9712 3.704107 3.902527 
1 1 1   11   33   21 o   57.908   3.4004  409.549   46.294  353.800   65.410  465.500   65.529   52.541   5.3466   60.938   4.5875 -8.396931 7.044917 
1 1 1   11   33   22 o   30.424   2.1427  111.221   15.295  129.000   21.679   93.600   21.583   32.569   2.8474   27.528   3.3920 5.041809 4.428686 
1 1 1   11   33   23 o   37.958   2.4872  173.871   22.170  183.000   31.404  164.800   31.303   38.554   3.4872   36.485   3.6837 2.068569 5.072529 
1 1 1   11   33   24 o   21.008   1.8432   53.034   9.0513   38.400   12.772   67.800   12.829   17.512   3.2067   23.662   2.3262 -6.149925 3.961595 
1 1 1   11   33   25 o   18.581   1.8045   41.551   7.8177   41.500   11.132   41.600   10.982   18.375   2.6415   18.409   2.5986 -0.3413010E-01 3.705415 
1 1 1   11   33   26 o   43.875   2.7395  233.670   28.241  254.600   40.016  212.900   39.862   45.261   3.7786   41.147   4.1597 4.114277 5.619730 
1 1 1   11   33   27 o   25.495   1.9864   78.259   11.864   93.000   16.802   63.600   16.755   27.624   2.6066   22.595   3.2324 5.028214 4.152423 
1 1 1   11   33   28 o   33.123   2.2850  132.769   17.762  138.300   25.192  127.300   25.049   33.411   3.2335   31.980   3.3676 1.430693 4.668668 
1 1 1   11   33   29 o   6.5811   1.8200   5.3432   2.9233   10.600   4.0805  -0.2000   4.1901   9.2349   1.9332   4.7960   2.0593 4.438847 2.824546 
1 1 1   11   33   30 o   19.559   1.8271   46.256   8.3411   49.200   11.785   43.300   11.807   19.962   2.5591   18.639   2.7666 1.322803 3.768711 
1 1 1   11   33   31 o   15.016   1.7523   27.387   6.0963   24.100   8.5414   30.800   8.7039   13.811   2.7159   15.752   2.4172 -1.941603 3.635760 
1 1 1   11   33   32 o   31.468   2.2594  120.865   16.677  125.900   24.047  116.200   23.147   31.569   3.2734   30.310   3.2868 1.259111 4.638743 
1 1 1   11   33   33 o   25.077   2.0092   76.527   11.798   82.100   17.132   71.500   16.271   25.589   2.8856   23.828   2.9551 1.760757 4.130274 
1 1 1   11   33   34 o   24.092   1.9637   70.636   11.074   74.300   15.803   67.100   15.523   24.351   2.7992   23.073   2.9140 1.278399 4.040689 
1 1 1   11   33   35 o   6.8128   2.2809   5.4000   4.3181   0.0000   0.0000   5.4000   4.3181  ?   ?    6.8128   2.2809 0.000000 2.280858 
1 1 1   11   33   36 o   24.480   3.1281   76.800   17.669   0.0000   0.0000   76.800   17.669  ?   ?    24.480   3.1281 0.000000 3.128077 
1 1 1   11   33   37 o   11.643   2.9116   17.800   7.9839   0.0000   0.0000   17.800   7.9839  ?   ?    11.643   2.9116 0.000000 2.911573 
1 1 1   11   33   38 f   8.1595   2.4505   8.5000   5.1009   0.0000   0.0000   8.5000   5.1009  ?   ?    8.1595   2.4505 0.000000 2.450518 
1 1 1   11   33   39 o   27.485   3.3308  102.900   21.176   0.0000   0.0000  102.900   21.176  ?   ?    27.485   3.3308 0.000000 3.330828 
1 1 1   11   33   40 o   19.695   3.0397   53.100   13.682   0.0000   0.0000   53.100   13.682  ?   ?    19.695   3.0397 0.000000 3.039678 
1 1 1   11   33   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   33   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   33   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   34    0 o  ?   ?  -16.8000   1.2635 -16.8000   1.2635 -16.8000   1.2635  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   11   34    1 o   13.762   1.9460   22.906   6.1476   14.500   8.8629   30.700   8.5344   10.923   3.2182   15.904   2.3427 -4.980886 3.980603 
1 1 1   11   34    2 o   55.963   3.2812  376.021   43.171  322.100   60.896  430.500   61.210   51.168   5.1083   59.517   4.3863 -8.348957 6.733060 
1 1 1   11   34    3 o   20.589   1.8777   50.687   9.0288   34.100   12.480   68.900   13.078   16.597   3.3006   23.961   2.3413 -7.364382 4.046686 
1 1 1   11   34    4 o   91.796   7.7613  1078.90  166.661  1078.90  166.661   0.0000   0.0000   91.796   7.7613  ?   ?  0.000000 7.761301 
1 1 1   11   34    5 o   63.443   3.6737  485.342   54.800  533.400   77.669  437.700   77.331   65.935   5.0264   59.433   5.5754 6.501854 7.506610 
1 1 1   11   34    6 o   91.705   5.2231  1033.38  112.636  1115.80  159.358  951.100  159.225   93.630   7.2646   85.804   7.9489 7.825783 10.76842 
1 1 1   11   34    7 o   57.055   3.2269  391.286   43.297  309.100   60.987  474.800   61.478   49.944   5.2498   62.500   4.1898 -12.55626 6.716762 
1 1 1   11   34    8 o   52.931   2.8234  335.619   35.162  255.400   49.311  418.600   50.153   45.571   4.6475   58.866   3.6257 -13.29513 5.894431 
1 1 1   11   34    9 o   29.253   2.1271  102.272   14.593   99.700   20.527  104.900   20.750   28.692   3.0778   29.450   3.0269 -0.7583866 4.316824 
1 1 1   11   34   10 o   38.420   2.4837  176.740   22.413  170.900   31.407  182.800   31.994   37.494   3.5913   38.807   3.5300 -1.312771 5.035696 
1 1 1   11   34   11 o   62.750   3.7330  477.593   55.065  537.900   77.781  417.000   77.966   65.908   5.0358   57.537   5.8184 8.371094 7.695015 
1 1 1   11   34   12 o   51.765   3.2185  323.453   39.147  357.300   55.198  289.200   55.527   53.931   4.3720   48.221   4.9465 5.709969 6.601715 
1 1 1   11   34   13 o   44.448   2.7570  237.553   28.795  269.900   40.751  205.300   40.692   47.061   3.6968   40.780   4.2900 6.280773 5.663133 
1 1 1   11   34   14 o   6.1978   1.8147   4.6449   2.8259   3.1000   4.0577   6.1000   3.9380   5.8578   2.1856   7.1300   2.1558 -1.272161 3.069919 
1 1 1   11   34   15 o   48.173   2.9497  280.138   33.393  247.500   47.215  312.800   47.233   44.597   4.5470   50.465   3.9964 -5.867126 6.053621 
1 1 1   11   34   16 o   32.567   2.2558  127.251   17.241  122.100   24.269  132.500   24.497   31.612   3.2998   32.980   3.1853 -1.368292 4.586373 
1 1 1   11   34   17 o   4.3010   1.6326   1.5466   2.2855  -2.4000   3.2516   5.4000   3.2130   3.6252   1.6648   6.6651   1.9303 -3.039838 2.549051 
1 1 1   11   34   18 o   27.119   2.0558   88.252   13.067   86.100   18.488   90.400   18.471   26.544   3.0024   27.232   2.9179 -0.6874008 4.186662 
1 1 1   11   34   19 o   17.669   1.8138   37.559   7.4603   35.900   10.581   39.200   10.520   17.073   2.7153   17.895   2.5629 -0.8212833 3.733829 
1 1 1   11   34   20 o   67.468   3.9414  561.991   62.520  508.900   88.367  615.200   88.465   62.360   6.0783   69.249   5.4542 -6.889297 8.166623 
1 1 1   11   34   21 o   29.951   2.1689  107.864   15.236   89.400   21.555  126.300   21.539   26.861   3.4801   32.218   2.8610 -5.356741 4.505175 
1 1 1   11   34   22 o   53.449   3.1860  348.433   40.028  372.800   56.746  324.300   56.473   54.485   4.4494   50.560   4.7871 3.924706 6.535558 
1 1 1   11   34   23 o   53.701   3.1725  351.892   40.051  299.400   56.557  404.700   56.726   48.353   5.0268   56.886   4.2537 -8.533081 6.585024 
1 1 1   11   34   24 o   34.903   2.3772  147.042   19.476  119.800   27.539  174.300   27.547   30.931   3.8540   37.728   3.1201 -6.797062 4.958680 
1 1 1   11   34   25 o   3.6453   1.4996   0.4856   2.0772   0.8000   2.7986   0.1000   3.0995   4.2830   1.7488   4.2240   1.7911 0.5901575E-01 2.503217 
1 1 1   11   34   26 o   15.839   1.7892   30.331   6.5745   26.800   9.2727   33.900   9.3229   14.637   2.7846   16.598   2.4525 -1.961694 3.710641 
1 1 1   11   34   27 o   27.971   2.1080   94.509   13.821   97.100   19.513   91.900   19.578   28.040   2.9932   27.228   3.1003 0.8121376 4.309425 
1 1 1   11   34   28 o   21.071   1.8924   53.644   9.3151   51.300   13.301   55.900   13.050   20.311   2.8518   21.286   2.6539 -0.9745026 3.895625 
1 1 1   11   34   29 o   32.861   2.3163  131.305   17.859  131.000   25.470  131.600   25.047   32.300   3.3900   32.414   3.3192 -0.1138153 4.744354 
1 1 1   11   34   30 o   21.531   2.7502   57.700   13.663   0.0000   0.0000   57.700   13.663  ?   ?    21.531   2.7502 0.000000 2.750247 
1 1 1   11   34   31 o   36.128   2.5888  160.679   21.939  128.800   31.190  191.900   30.867   31.195   4.3528   38.948   3.3899 -7.753540 5.517072 
1 1 1   11   34   32 o   38.181   2.6693  180.294   23.915  162.600   34.111  197.400   33.538   35.115   4.1968   39.195   3.6663 -4.079082 5.572681 
1 1 1   11   34   33 o   30.008   3.2130  114.200   22.413   0.0000   0.0000  114.200   22.413  ?   ?    30.008   3.2130 0.000000 3.213032 
1 1 1   11   34   34 o   13.055   2.5057   21.600   7.4438   0.0000   0.0000   21.600   7.4438  ?   ?    13.055   2.5057 0.000000 2.505723 
1 1 1   11   34   35 o   26.674   3.1863   91.200   19.672   0.0000   0.0000   91.200   19.672  ?   ?    26.674   3.1863 0.000000 3.186276 
1 1 1   11   34   36 o   28.730   3.2818  107.400   21.865   0.0000   0.0000  107.400   21.865  ?   ?    28.730   3.2818 0.000000 3.281767 
1 1 1   11   34   37 o   10.845   2.8503   15.600   7.3952   0.0000   0.0000   15.600   7.3952  ?   ?    10.845   2.8503 0.000000 2.850286 
1 1 1   11   34   38 o   19.037   3.0390   48.600   13.201   0.0000   0.0000   48.600   13.201  ?   ?    19.037   3.0390 0.000000 3.038971 
1 1 1   11   34   39 o   25.843   3.3905   93.500   20.191   0.0000   0.0000   93.500   20.191  ?   ?    25.843   3.3905 0.000000 3.390451 
1 1 1   11   34   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   34   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   34   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   34   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   35    0 o   26.275   3.0536   85.300   18.278   85.300   18.278   85.300   18.278   26.275   3.0536   26.275   3.0536 0.000000 0.000000 
1 1 1   11   35    1 o   48.677   2.9658  284.516   33.928  270.000   47.844  299.200   48.120   46.959   4.3645   49.533   4.1523 -2.573898 6.024197 
1 1 1   11   35    2 o   26.148   2.0540   81.739   12.580   83.900   17.835   79.600   17.747   26.331   2.9175   25.623   2.9893 0.7073441 4.177072 
1 1 1   11   35    3 o   56.832   3.3971  389.487   45.381  337.200   64.201  441.700   64.155   52.086   5.2934   60.046   4.5587 -7.959446 6.985801 
1 1 1   11   35    4 o   31.509   2.3383  118.863   17.274   89.800   24.585  147.200   24.276   26.976   3.9789   34.946   2.9700 -7.969318 4.965137 
1 1 1   11   35    5 o   42.509   2.7139  216.747   27.100  214.800   38.293  218.700   38.358   41.968   3.9089   42.361   3.8777 -0.3927765 5.506009 
1 1 1   11   35    6 o   13.410   1.9110   21.784   5.8802   29.600   8.2468   13.700   8.3866   15.600   2.3083   10.602   3.1326 4.998795 3.891200 
1 1 1   11   35    7 o   28.983   2.1249  100.468   14.441   92.800   20.190  108.500   20.664   27.631   3.1507   29.950   2.9606 -2.319120 4.323397 
1 1 1   11   35    8 o   12.609   1.8029   19.256   5.2152   21.500   7.4504   17.100   7.3027   13.214   2.4788   11.730   2.6933 1.483728 3.660407 
1 1 1   11   35    9 f   71.692   4.1608  628.232   70.135  602.800   99.054  653.800   99.318   68.853   6.1573   71.931   5.8991 -3.077881 8.527164 
1 1 1   11   35   10 o   35.477   2.4309  150.999   20.242  161.200   28.491  140.600   28.765   36.409   3.3515   33.889   3.6522 2.519798 4.956939 
1 1 1   11   35   11 o   30.631   2.1843  112.407   15.696  107.000   22.012  118.000   22.387   29.635   3.1961   31.169   3.0820 -1.534088 4.440016 
1 1 1   11   35   12 o   59.552   3.5033  430.997   49.048  499.400   69.391  362.700   69.338   63.440   4.6649   53.458   5.5748 9.981827 7.269105 
1 1 1   11   35   13 o   9.2471   1.8969   10.543   4.0032   11.800   5.9448   9.5000   5.4149   9.7504   2.5522   8.7963   2.4929 0.9540186 3.567671 
1 1 1   11   35   14 o   59.551   3.3194  430.515   46.492  496.100   66.022  366.000   65.481   63.266   4.4476   53.816   5.2183 9.450409 6.856520 
1 1 1   11   35   15 o   57.118   3.4095  397.259   45.776  408.200   64.712  386.300   64.763   57.034   4.8511   55.367   5.0077 1.666534 6.972093 
1 1 1   11   35   16 o   16.891   1.8208   34.351   7.1476   44.800   10.084   23.800   10.133   19.228   2.2643   13.759   3.1821 5.469381 3.905535 
1 1 1   11   35   17 o   9.1474   1.8544   10.322   3.8685   7.8000   5.4955   12.800   5.4466   8.1110   2.5634   10.143   2.3239 -2.031675 3.459987 
1 1 1   11   35   18 o   49.110   2.9031  292.184   33.516  247.700   47.259  337.200   47.540   44.370   4.5763   52.262   3.8799 -7.892384 5.999722 
1 1 1   11   35   19 o   14.125   1.7335   24.100   5.6607   27.800   8.0054   20.400   8.0054   15.064   2.3253   12.779   2.7355 2.285255 3.590297 
1 1 1   11   35   20 o   23.391   1.8953   65.675   10.379   41.500   14.611   90.300   14.746   18.142   3.5376   27.356   2.3042 -9.213799 4.221835 
1 1 1   11   35   21 o   26.266   2.0540   82.948   12.638   79.000   17.985   86.800   17.764   25.350   3.0669   26.651   2.8678 -1.301033 4.198812 
1 1 1   11   35   22 o   26.661   2.0587   85.500   12.860   84.200   18.187   86.800   18.187   26.191   2.9945   26.614   2.9432 -0.4225140 4.198764 
1 1 1   11   35   23 o   6.0628   1.7472   4.4774   2.6383   11.300   3.9536  -1.0000   3.5424   9.5796   1.8142   4.1830   1.8430 5.396616 2.586132 
1 1 1   11   35   24 o   56.665   3.4267  395.605   45.636  383.400   64.553  407.800   64.525   54.455   5.0787   56.339   4.8990 -1.883339 7.056422 
1 1 1   11   35   25 o   41.815   2.6969  212.910   26.487  187.400   37.465  238.400   37.451   38.400   4.2003   43.713   3.6620 -5.312523 5.572466 
1 1 1   11   35   26 o   20.822   1.8656   52.308   9.0757   42.900   12.840   61.700   12.829   18.501   3.0452   22.462   2.4589 -3.961155 3.914021 
1 1 1   11   35   27 o   9.2306   1.9776   10.612   4.1807   10.100   6.3711   11.000   5.5404   9.0535   2.7431   9.3583   2.4708 -0.3048382 3.691808 
1 1 1   11   35   28 o   5.9641   2.1586   3.6000   3.9090   0.0000   0.0000   3.6000   3.9090  ?   ?    5.9641   2.1586 0.000000 2.158600 
1 1 1   11   35   29 o   38.011   3.7388  184.600   33.124   0.0000   0.0000  184.600   33.124  ?   ?    38.011   3.7388 0.000000 3.738824 
1 1 1   11   35   30 o   15.932   2.5763   31.800   9.3618   0.0000   0.0000   31.800   9.3618  ?   ?    15.932   2.5763 0.000000 2.576309 
1 1 1   11   35   31 o   33.899   3.4805  146.700   27.465   0.0000   0.0000  146.700   27.465  ?   ?    33.899   3.4805 0.000000 3.480516 
1 1 1   11   35   32 o   46.541   4.5070  289.600   48.912   0.0000   0.0000  289.600   48.912  ?   ?    46.541   4.5070 0.000000 4.507032 
1 1 1   11   35   33 o  ?   ?   -2.6000   0.6461   0.0000   0.0000  -2.6000   0.6461  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   35   34 o   8.5254   2.4048   9.2000   5.0513   0.0000   0.0000   9.2000   5.0513  ?   ?    8.5254   2.4048 0.000000 2.404839 
1 1 1   11   35   35 o   9.3736   2.7562   11.300   6.5063   0.0000   0.0000   11.300   6.5063  ?   ?    9.3736   2.7562 0.000000 2.756171 
1 1 1   11   35   36 o   14.266   2.7433   26.600   8.9053   0.0000   0.0000   26.600   8.9053  ?   ?    14.266   2.7433 0.000000 2.743251 
1 1 1   11   35   37 o   15.427   2.7684   31.500   9.7143   0.0000   0.0000   31.500   9.7143  ?   ?    15.427   2.7684 0.000000 2.768439 
1 1 1   11   35   38 o   12.818   2.7253   22.200   7.9953   0.0000   0.0000   22.200   7.9953  ?   ?    12.818   2.7253 0.000000 2.725335 
1 1 1   11   35   39 o   7.0756   2.4446   6.2000   4.9662   0.0000   0.0000   6.2000   4.9662  ?   ?    7.0756   2.4446 0.000000 2.444618 
1 1 1   11   35   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   35   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   35   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   36    0 o   50.110   4.4849  308.800   52.092  308.800   52.092  308.800   52.092   50.110   4.4849   50.110   4.4849 0.000000 0.000000 
1 1 1   11   36    1 o   43.344   2.7305  225.702   27.804  239.100   39.392  212.400   39.250   44.266   3.8055   41.615   4.0453 2.650955 5.553957 
1 1 1   11   36    2 o   28.691   2.1313   98.537   14.337   85.400   20.189  111.900   20.363   26.435   3.3065   30.426   2.8680 -3.990761 4.377043 
1 1 1   11   36    3 o   64.782   5.5842  527.600   84.589  527.600   84.589   0.0000   0.0000   64.782   5.5842  ?   ?  0.000000 5.584221 
1 1 1   11   36    4 o   74.542   4.2360  680.485   74.255  599.000  104.684  763.000  105.344   68.224   6.5796   77.773   5.7774 -9.549110 8.756128 
1 1 1   11   36    5 f   41.096   2.6219  202.869   25.311  170.600   35.696  235.500   35.895   37.189   4.1348   44.014   3.4822 -6.824554 5.405770 
1 1 1   11   36    6 o   56.134   3.3882  381.859   44.701  386.000   63.150  377.700   63.284   55.701   4.8496   55.056   4.9196 0.6458435 6.907995 
1 1 1   11   36    7 o   21.205   1.9215   53.917   9.5167   68.700   13.544   39.500   13.375   23.858   2.4383   17.827   3.2988 6.030895 4.102127 
1 1 1   11   36    8 o   15.078   1.9759   27.510   6.8657   36.900   10.225   19.800   9.2652   17.380   2.5688   12.579   3.1315 4.801318 4.050313 
1 1 1   11   36    9 o   78.998   4.5922  772.126   85.294  819.700  120.654  724.600  120.593   79.653   6.4707   74.386   6.9458 5.266617 9.492797 
1 1 1   11   36   10 o   28.266   2.1013   95.761   13.925   70.800   19.678  120.800   19.709   23.907   3.5972   31.633   2.6633 -7.726366 4.475768 
1 1 1   11   36   11 o   36.877   2.4760  163.512   21.436  178.900   30.352  148.200   30.278   38.288   3.3922   34.692   3.7559 3.596066 5.061050 
1 1 1   11   36   12 o   18.142   1.8050   39.538   7.6300   30.000   10.783   49.100   10.798   15.515   3.0522   20.138   2.3125 -4.623804 3.829327 
1 1 1   11   36   13 o   17.710   1.7494   37.665   7.2203   44.100   10.323   31.500   10.103   19.061   2.3427   15.964   2.7811 3.096819 3.636366 
1 1 1   11   36   14 o   37.352   2.2836  167.505   20.045  130.200   28.110  206.100   28.591   32.446   3.7371   41.226   2.9566 -8.779819 4.765249 
1 1 1   11   36   15 o   16.659   1.7900   33.412   6.9310   32.300   9.8557   34.500   9.7490   16.187   2.6717   16.773   2.5410 -0.5857830 3.687089 
1 1 1   11   36   16 o   32.947   2.2215  130.420   17.182  150.200   24.411  111.000   24.189   35.138   2.9699   29.998   3.4794 5.139828 4.574525 
1 1 1   11   36   17 f   4.1745   1.6425   1.1769   2.3749   2.3000   4.0766   0.6000   2.9219   5.5556   2.1617   4.2892   1.7730 1.266446 2.795788 
1 1 1   11   36   18 o   8.9947   1.8425   9.9899   3.7817   11.900   5.4372   8.2000   5.2633   9.7700   2.3790   8.2314   2.4931 1.538567 3.446030 
1 1 1   11   36   19 o   30.562   2.1109  112.205   15.140  132.700   21.515   92.100   21.309   33.049   2.7828   27.298   3.3780 5.751024 4.376602 
1 1 1   11   36   20 o   21.922   1.9226   57.793   9.8520   49.700   13.970   65.800   13.896   20.031   3.0498   23.244   2.5750 -3.212782 3.991495 
1 1 1   11   36   21 o   17.004   1.7774   34.832   7.0311   41.100   9.9578   28.600   9.9291   18.360   2.3508   15.136   2.8833 3.224036 3.720172 
1 1 1   11   36   22 o   2.2678   1.0502  -1.1426   1.3336  -1.2000   2.0441  -1.1000   1.7596   2.9710   1.3473   2.7350   1.2440 0.2359865 1.833812 
1 1 1   11   36   23 o   30.889   2.2128  115.189   16.033   88.600   22.669  141.800   22.678   26.522   3.7222   34.054   2.8463 -7.532038 4.685741 
1 1 1   11   36   24 o   3.8003   1.5335   0.7542   2.1230   0.8000   2.8848   0.7000   3.1355   4.3343   1.7733   4.4534   1.8384 -0.1191339 2.554227 
1 1 1   11   36   25 o   13.919   2.1228   23.808   6.7562   7.9000   10.098   36.700   9.0904   9.1054   3.4376   17.302   2.2805 -8.196596 4.125270 
1 1 1   11   36   26 o   28.146   3.0694   98.500   20.069   0.0000   0.0000   98.500   20.069  ?   ?    28.146   3.0694 0.000000 3.069379 
1 1 1   11   36   27 o   22.997   2.8439   65.800   15.114   0.0000   0.0000   65.800   15.114  ?   ?    22.997   2.8439 0.000000 2.843888 
1 1 1   11   36   28 o   10.681   2.3889   14.400   5.8744   0.0000   0.0000   14.400   5.8744  ?   ?    10.681   2.3889 0.000000 2.388892 
1 1 1   11   36   29 o   12.556   2.6164   20.000   7.5059   0.0000   0.0000   20.000   7.5059  ?   ?    12.556   2.6164 0.000000 2.616364 
1 1 1   11   36   30 o   9.0002   2.5747   10.200   5.7483   0.0000   0.0000   10.200   5.7483  ?   ?    9.0002   2.5747 0.000000 2.574730 
1 1 1   11   36   31 o   15.495   2.6472   30.300   9.3382   0.0000   0.0000   30.300   9.3382  ?   ?    15.495   2.6472 0.000000 2.647176 
1 1 1   11   36   32 o   31.312   3.3161  125.400   24.146   0.0000   0.0000  125.400   24.146  ?   ?    31.312   3.3161 0.000000 3.316108 
1 1 1   11   36   33 o   17.473   2.6306   38.600   10.517   0.0000   0.0000   38.600   10.517  ?   ?    17.473   2.6306 0.000000 2.630584 
1 1 1   11   36   34 o   23.063   2.9865   68.500   15.882   0.0000   0.0000   68.500   15.882  ?   ?    23.063   2.9865 0.000000 2.986494 
1 1 1   11   36   35 o   20.748   2.8972   56.100   13.807   0.0000   0.0000   56.100   13.807  ?   ?    20.748   2.8972 0.000000 2.897246 
1 1 1   11   36   36 o   13.865   2.9881   26.000   9.4946   0.0000   0.0000   26.000   9.4946  ?   ?    13.865   2.9881 0.000000 2.988121 
1 1 1   11   36   37 o   28.137   3.5598  112.100   23.123   0.0000   0.0000  112.100   23.123  ?   ?    28.137   3.5598 0.000000 3.559822 
1 1 1   11   36   38 o   9.7336   3.0159   13.200   7.6473   0.0000   0.0000   13.200   7.6473  ?   ?    9.7336   3.0159 0.000000 3.015899 
1 1 1   11   36   39 o   7.1178   2.7260   5.6000   6.4076   0.0000   0.0000   5.6000   6.4076  ?   ?    7.1178   2.7260 0.000000 2.726001 
1 1 1   11   36   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   36   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   37    0 o   94.301   8.0174  1141.30  175.561  1141.30  175.561  1141.30  175.561   94.301   8.0174   94.301   8.0174 -0.000000 0.000000 
1 1 1   11   37    1 o   35.055   2.3659  147.449   19.470  136.800   27.284  158.500   27.793   33.439   3.5076   36.087   3.2980 -2.648582 4.814579 
1 1 1   11   37    2 o   62.249   3.6675  472.069   53.671  422.200   75.879  522.000   75.926   57.658   5.6455   64.624   5.0148 -6.965252 7.551133 
1 1 1   11   37    3 o   38.804   2.5272  180.946   23.030  189.400   32.775  172.700   32.368   39.372   3.5639   37.533   3.7002 1.838661 5.137424 
1 1 1   11   37    4 f   54.622   3.2161  361.301   41.299  394.600   58.809  328.900   58.011   56.464   4.4468   51.299   4.8463 5.164330 6.577278 
1 1 1   11   37    5 o   31.495   2.2197  118.950   16.403  129.600   23.307  108.500   23.088   32.664   3.0573   29.780   3.3409 2.884338 4.528639 
1 1 1   11   37    6 o   52.855   3.2304  338.702   40.124  330.800   56.933  346.500   56.558   51.470   4.7375   52.776   4.5839 -1.305611 6.592073 
1 1 1   11   37    7 o   43.242   2.7554  225.461   27.989  211.100   39.460  240.000   39.705   41.319   4.0983   44.196   3.8428 -2.876774 5.618112 
1 1 1   11   37    8 o  108.970   6.3163  1537.14  161.832  1709.60  229.238  1365.80  228.492  110.382   8.8697   96.234   10.211 14.14782 13.52535 
1 1 1   11   37    9 o   32.788   2.3129  129.173   17.792  158.300   25.174  100.100   25.151   36.118   2.9782   28.385   3.8518 7.733234 4.868883 
1 1 1   11   37   10 o   25.265   2.0369   76.613   12.049   69.000   17.111   84.100   16.969   23.700   3.1344   26.304   2.7737 -2.604263 4.185497 
1 1 1   11   37   11 o   14.207   1.7960   24.396   5.8905   32.100   8.6733   17.800   8.0253   16.219   2.3316   11.921   2.8825 4.297806 3.707494 
1 1 1   11   37   12 o   51.258   3.0598  318.742   36.866  345.500   52.342  292.400   51.933   52.740   4.2387   48.274   4.6120 4.465645 6.263943 
1 1 1   11   37   13 o   38.065   2.6610  175.046   23.768  148.000   33.898  201.200   33.334   34.369   4.2687   40.490   3.5215 -6.120453 5.533823 
1 1 1   11   37   14 o   53.851   3.2322  353.100   40.911  322.000   57.811  384.300   57.904   50.426   4.9176   55.446   4.4603 -5.019917 6.639069 
1 1 1   11   37   15 o   26.207   2.0490   82.498   12.579   76.400   17.861   88.500   17.719   24.937   3.1001   26.948   2.8266 -2.011189 4.195273 
1 1 1   11   37   16 o   61.884   3.6833  470.856   53.581  465.000   75.817  476.700   75.734   60.161   5.3941   60.991   5.3115 -0.8302383 7.570276 
1 1 1   11   37   17 o   3.7185   1.4912   0.7712   1.9938   6.5000   2.7797  -5.3000   2.8615   7.2486   1.6597   2.7585   1.3459 4.490085 2.136832 
1 1 1   11   37   18 o   35.121   2.2801  148.478   18.808  167.600   26.756  129.800   26.443   37.038   3.0874   32.399   3.5126 4.638653 4.676533 
1 1 1   11   37   19 o   7.7495   1.8597   7.4495   3.3597   12.500   5.0717   3.5000   4.4850   10.026   2.2025   6.1675   2.2985 3.858078 3.183381 
1 1 1   11   37   20 o   46.682   2.9112  265.301   31.931  260.600   45.163  270.000   45.150   45.501   4.2527   46.376   4.1674 -0.8750916 5.954206 
1 1 1   11   37   21 o   71.829   4.1911  648.475   70.778  699.400  100.267  597.900   99.923   72.497   5.9084   66.284   6.4664 6.213043 8.759171 
1 1 1   11   37   22 o   26.369   2.0398   83.853   12.602   82.200   17.840   85.500   17.804   25.803   2.9830   26.349   2.9100 -0.5457973 4.167269 
1 1 1   11   37   23 o   39.013   2.5836  185.314   23.666  182.100   33.541  188.500   33.398   38.026   3.7857   38.750   3.6947 -0.7239304 5.289843 
1 1 1   11   37   24 o   18.942   2.6413   44.400   11.492   0.0000   0.0000   44.400   11.492  ?   ?    18.942   2.6413 0.000000 2.641299 
1 1 1   11   37   25 o   40.953   3.9285  213.700   37.524   0.0000   0.0000  213.700   37.524  ?   ?    40.953   3.9285 0.000000 3.928502 
1 1 1   11   37   26 f   45.433   4.3265  268.800   45.856   0.0000   0.0000  268.800   45.856  ?   ?    45.433   4.3265 0.000000 4.326522 
1 1 1   11   37   27 o   9.4965   2.5942   11.400   5.9823   0.0000   0.0000   11.400   5.9823  ?   ?    9.4965   2.5942 0.000000 2.594229 
1 1 1   11   37   28 o   11.852   2.5374   17.800   6.8871   0.0000   0.0000   17.800   6.8871  ?   ?    11.852   2.5374 0.000000 2.537393 
1 1 1   11   37   29 o   16.044   2.5970   32.300   9.5027   0.0000   0.0000   32.300   9.5027  ?   ?    16.044   2.5970 0.000000 2.597027 
1 1 1   11   37   30 o   30.642   3.2712  119.400   23.303   0.0000   0.0000  119.400   23.303  ?   ?    30.642   3.2712 0.000000 3.271196 
1 1 1   11   37   31 o   4.8759   1.8863   1.9000   3.0903   0.0000   0.0000   1.9000   3.0903  ?   ?    4.8759   1.8863 0.000000 1.886332 
1 1 1   11   37   32 f   19.945   2.7733   50.500   12.708   0.0000   0.0000   50.500   12.708  ?   ?    19.945   2.7733 0.000000 2.773348 
1 1 1   11   37   33 o   11.663   2.6793   17.700   7.2239   0.0000   0.0000   17.700   7.2239  ?   ?    11.663   2.6793 0.000000 2.679282 
1 1 1   11   37   34 o   11.806   2.7243   18.400   7.4402   0.0000   0.0000   18.400   7.4402  ?   ?    11.806   2.7243 0.000000 2.724300 
1 1 1   11   37   35 o   18.059   3.0256   43.800   12.446   0.0000   0.0000   43.800   12.446  ?   ?    18.059   3.0256 0.000000 3.025604 
1 1 1   11   37   36 o   17.804   2.9724   43.100   12.056   0.0000   0.0000   43.100   12.056  ?   ?    17.804   2.9724 0.000000 2.972406 
1 1 1   11   37   37 o   6.0966   2.4616   2.9000   5.4732   0.0000   0.0000   2.9000   5.4732  ?   ?    6.0966   2.4616 0.000000 2.461564 
1 1 1   11   37   38 o   2.6046   1.3078 -10.1000   3.5367   0.0000   0.0000 -10.1000   3.5367  ?   ?    2.6046   1.3078 0.000000 1.307841 
1 1 1   11   37   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   38    0 o   15.479   3.2831   32.100   10.553   32.100   10.553   32.100   10.553   15.479   3.2831   15.479   3.2831 -0.000000 0.000000 
1 1 1   11   38    1 o   48.129   3.0040  280.355   33.970  281.000   47.862  279.700   48.222   47.582   4.3064   47.446   4.3526 0.1355820 6.122949 
1 1 1   11   38    2 o   11.054   2.2184   15.104   5.5893   1.8000   7.7794   29.300   8.0359   7.0053   2.8941   15.503   2.2618 -8.497200 3.673048 
1 1 1   11   38    3 o   31.781   2.2837  121.336   17.024  126.700   24.107  116.000   24.045   32.215   3.2118   30.762   3.3650 1.452726 4.651739 
1 1 1   11   38    4 o   15.701   2.0605   29.890   7.4547   13.300   10.975   44.100   10.157   10.767   3.6361   19.072   2.3019 -8.305141 4.303529 
1 1 1   11   38    5 o   14.275   2.0052   24.756   6.5727   15.100   9.6852   33.000   8.9489   11.115   3.3854   16.443   2.3734 -5.328398 4.134481 
1 1 1   11   38    6 o   10.881   1.8533   14.481   4.5909   27.900   6.6413   2.2000   6.3534   15.191   1.8925   6.5313   2.6468 8.659427 3.253816 
1 1 1   11   38    7 o   18.416   1.8551   40.789   7.9574   33.000   10.784   50.100   11.790   16.316   2.9055   20.291   2.5146 -3.975273 3.842553 
1 1 1   11   38    8 o   34.029   2.3603  139.279   18.849  156.000   26.673  122.600   26.640   35.760   3.1923   31.509   3.6479 4.250759 4.847457 
1 1 1   11   38    9 o   10.774   1.9926   14.274   4.8827   5.0000   7.0770   22.700   6.7454   7.5745   2.8734   13.621   2.1700 -6.046847 3.600703 
1 1 1   11   38   10 o   24.385   2.0374   71.442   11.624   70.600   16.888   72.200   16.024   23.987   3.0506   24.320   2.8440 -0.3329277 4.170638 
1 1 1   11   38   11 o   10.324   2.0960   13.179   4.9353   7.8000   7.6011   17.100   6.4892   8.5514   3.0197   11.736   2.4219 -3.184422 3.870997 
1 1 1   11   38   12 o   49.014   3.1303  292.199   36.040  253.600   51.169  330.200   50.771   44.691   4.9308   51.523   4.2099 -6.832275 6.483507 
1 1 1   11   38   13 o   98.139   5.1275  1222.02  118.412  1476.30  168.290  972.700  166.643  105.160   6.8138   82.408   8.6948 22.75119 11.04658 
1 1 1   11   38   14 o   56.630   3.4287  392.291   45.633  385.400   64.729  399.100   64.342   55.044   5.0358   56.122   4.9044 -1.078033 7.029397 
1 1 1   11   38   15 o   45.179   2.8998  247.745   30.773  228.000   43.681  267.200   43.359   42.583   4.4079   46.371   3.9989 -3.787804 5.951508 
1 1 1   11   38   16 o   11.730   1.9486   16.851   5.2082   8.0000   7.6765   24.400   7.0894   8.6183   3.0356   14.116   2.1985 -5.497460 3.748080 
1 1 1   11   38   17 o   48.879   3.0149  290.883   34.628  311.400   48.992  270.400   48.951   49.889   4.1977   46.248   4.5409 3.640667 6.183924 
1 1 1   11   38   18 o   32.054   2.2749  123.930   17.107  120.900   24.315  126.900   24.073   31.279   3.3438   32.105   3.2187 -0.8255405 4.641230 
1 1 1   11   38   19 o   23.680   1.9597   67.532   10.859   75.600   15.327   59.400   15.388   24.871   2.6507   21.884   3.0615 2.986610 4.049594 
1 1 1   11   38   20 o   10.186   1.8200   12.762   4.2170   15.000   6.2582   10.900   5.7074   10.938   2.4801   9.3419   2.5264 1.596416 3.540283 
1 1 1   11   38   21 o   27.155   2.0591   89.011   13.106   97.500   18.690   80.800   18.382   28.155   2.8504   25.505   3.1170 2.650284 4.223789 
1 1 1   11   38   22 o   27.330   3.0326   92.600   19.241   0.0000   0.0000   92.600   19.241  ?   ?    27.330   3.0326 0.000000 3.032591 
1 1 1   11   38   23 o   45.558   4.2633  266.800   45.331   0.0000   0.0000  266.800   45.331  ?   ?    45.558   4.2633 0.000000 4.263256 
1 1 1   11   38   24 o   52.127   4.8883  360.700   59.467   0.0000   0.0000  360.700   59.467  ?   ?    52.127   4.8883 0.000000 4.888257 
1 1 1   11   38   25 o   28.274   3.1215  100.200   20.493   0.0000   0.0000  100.200   20.493  ?   ?    28.274   3.1215 0.000000 3.121478 
1 1 1   11   38   26 o   19.650   2.7037   48.200   12.213   0.0000   0.0000   48.200   12.213  ?   ?    19.650   2.7037 0.000000 2.703719 
1 1 1   11   38   27 o   29.722   3.1911  111.400   22.046   0.0000   0.0000  111.400   22.046  ?   ?    29.722   3.1911 0.000000 3.191136 
1 1 1   11   38   28 o   9.9962   2.5041   12.700   5.8983   0.0000   0.0000   12.700   5.8983  ?   ?    9.9962   2.5041 0.000000 2.504080 
1 1 1   11   38   29 o   35.698   3.6358  164.400   30.221   0.0000   0.0000  164.400   30.221  ?   ?    35.698   3.6358 0.000000 3.635850 
1 1 1   11   38   30 o   8.4111   2.4335   8.9000   5.1088   0.0000   0.0000   8.9000   5.1088  ?   ?    8.4111   2.4335 0.000000 2.433493 
1 1 1   11   38   31 o   7.6121   2.3206   7.2000   4.5493   0.0000   0.0000   7.2000   4.5493  ?   ?    7.6121   2.3206 0.000000 2.320576 
1 1 1   11   38   32 o   7.9680   2.4316   8.0000   4.9930   0.0000   0.0000   8.0000   4.9930  ?   ?    7.9680   2.4316 0.000000 2.431571 
1 1 1   11   38   33 f   15.392   2.9104   31.400   10.190   0.0000   0.0000   31.400   10.190  ?   ?    15.392   2.9104 0.000000 2.910425 
1 1 1   11   38   34 o   9.9928   2.5726   13.300   6.1066   0.0000   0.0000   13.300   6.1066  ?   ?    9.9928   2.5726 0.000000 2.572600 
1 1 1   11   38   35 o   3.0688   1.4874  -5.3000   3.3403   0.0000   0.0000  -5.3000   3.3403  ?   ?    3.0688   1.4874 0.000000 1.487358 
1 1 1   11   38   36 o  ?   ?  -14.0000   1.7944   0.0000   0.0000 -14.0000   1.7944  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   38   37 o   10.168   2.9485   14.600   7.4921   0.0000   0.0000   14.600   7.4921  ?   ?    10.168   2.9485 0.000000 2.948454 
1 1 1   11   38   38 f   4.1831   1.8494  -0.7000   3.5969   0.0000   0.0000  -0.7000   3.5969  ?   ?    4.1831   1.8494 0.000000 1.849390 
1 1 1   11   39    0 o   36.187   3.6349  161.700   30.342  161.700   30.342  161.700   30.342   36.187   3.6349   36.187   3.6349 0.000000 0.000000 
1 1 1   11   39    1 o   39.646   2.6244  189.583   24.430  204.700   34.511  174.400   34.587   40.825   3.6173   37.512   3.9646 3.312683 5.366889 
1 1 1   11   39    2 o   4.6066   2.0688  -2.2000   4.6858  -2.2000   4.6858   0.0000   0.0000   4.6066   2.0688  ?   ?  0.000000 2.068804 
1 1 1   11   39    3 o   62.371   3.7003  476.755   54.255  543.000   76.755  410.600   76.703   65.618   4.9910   56.350   5.8496 9.267616 7.689480 
1 1 1   11   39    4 o   43.722   2.8162  231.167   28.921  227.900   41.009  234.400   40.791   42.852   4.1029   43.507   4.0158 -0.6552734 5.741106 
1 1 1   11   39    5 o   22.738   2.0353   62.170   10.813   56.400   15.603   67.500   14.997   21.363   3.1909   23.532   2.7508 -2.169298 4.212915 
1 1 1   11   39    6 o   19.845   1.9149   47.361   8.8623   49.200   12.865   45.700   12.226   20.031   2.7960   19.301   2.7611 0.7295170 3.929559 
1 1 1   11   39    7 o   2.1285   1.0774  -9.4019   2.6838  -3.2000   3.8965 -15.0000   3.7020   3.8953   1.8009  ?   ?  0.000000 1.800852 
1 1 1   11   39    8 o   11.366   2.0952   15.904   5.4160   15.200   7.4357   16.700   7.9044   11.023   2.8394   11.543   2.9028 -0.5202160 4.060602 
1 1 1   11   39    9 o   56.869   2.9977  392.097   40.113  526.500   57.118  261.300   56.346   65.481   3.7092   45.060   5.4034 20.42124 6.554006 
1 1 1   11   39   10 o   35.857   2.3193  154.628   19.533  175.500   27.913  134.600   27.343   37.930   3.1448   33.030   3.5620 4.899685 4.751645 
1 1 1   11   39   11 o   64.145   3.4350  502.914   51.841  616.700   73.805  392.100   72.834   70.237   4.4732   55.006   5.6897 15.23166 7.237566 
1 1 1   11   39   12 o   49.967   2.8885  302.697   33.936  358.400   48.462  249.100   47.537   53.862   3.8353   44.423   4.5983 9.438881 5.987792 
1 1 1   11   39   13 o   51.450   3.1631  322.634   38.243  285.300   54.108  359.900   54.059   47.341   4.9117   53.655   4.3029 -6.314533 6.529943 
1 1 1   11   39   14 f   37.875   2.3239  172.690   20.684  206.800   29.637  140.300   28.880   41.177   3.0701   33.621   3.6989 7.555878 4.807026 
1 1 1   11   39   15 o   12.198   1.8717   18.157   5.2192   25.100   8.0864   13.200   6.8330   14.246   2.4947   10.276   2.7583 3.970402 3.719076 
1 1 1   11   39   16 o   42.710   2.7267  221.505   27.356  225.900   38.891  217.200   38.488   42.521   3.9174   41.664   3.9596 0.8572502 5.569980 
1 1 1   11   39   17 o   29.792   2.1810  107.091   15.236  108.100   21.644  106.100   21.452   29.597   3.1451   29.318   3.1479 0.2787933 4.449859 
1 1 1   11   39   18 o   45.955   2.9418  258.265   31.756  245.700   45.118  270.600   44.704   43.892   4.4129   46.285   4.1337 -2.392475 6.046622 
1 1 1   11   39   19 o   46.476   2.9680  264.900   32.403  248.700   45.967  280.900   45.684   43.997   4.4873   47.045   4.1550 -3.047493 6.115582 
1 1 1   11   39   20 o   33.612   3.3933  141.000   26.564   0.0000   0.0000  141.000   26.564  ?   ?    33.612   3.3933 0.000000 3.393269 
1 1 1   11   39   21 o   42.181   4.0170  226.600   39.528   0.0000   0.0000  226.600   39.528  ?   ?    42.181   4.0170 0.000000 4.017024 
1 1 1   11   39   22 o   35.362   3.5373  157.800   29.141   0.0000   0.0000  157.800   29.141  ?   ?    35.362   3.5373 0.000000 3.537326 
1 1 1   11   39   23 o   15.232   2.5642   29.000   8.8956   0.0000   0.0000   29.000   8.8956  ?   ?    15.232   2.5642 0.000000 2.564185 
1 1 1   11   39   24 o   19.780   2.7150   48.800   12.347   0.0000   0.0000   48.800   12.347  ?   ?    19.780   2.7150 0.000000 2.715026 
1 1 1   11   39   25 o   15.080   2.5528   28.500   8.7659   0.0000   0.0000   28.500   8.7659  ?   ?    15.080   2.5528 0.000000 2.552817 
1 1 1   11   39   26 o   15.947   2.6118   31.900   9.4942   0.0000   0.0000   31.900   9.4942  ?   ?    15.947   2.6118 0.000000 2.611757 
1 1 1   11   39   27 o   20.394   2.7259   52.100   12.799   0.0000   0.0000   52.100   12.799  ?   ?    20.394   2.7259 0.000000 2.725922 
1 1 1   11   39   28 o   29.181   3.1960  108.200   21.663   0.0000   0.0000  108.200   21.663  ?   ?    29.181   3.1960 0.000000 3.195977 
1 1 1   11   39   29 o   13.297   2.5508   22.500   7.7178   0.0000   0.0000   22.500   7.7178  ?   ?    13.297   2.5508 0.000000 2.550751 
1 1 1   11   39   30 o   11.701   2.5203   17.600   6.7578   0.0000   0.0000   17.600   6.7578  ?   ?    11.701   2.5203 0.000000 2.520277 
1 1 1   11   39   31 f   20.045   2.8116   51.900   12.942   0.0000   0.0000   51.900   12.942  ?   ?    20.045   2.8116 0.000000 2.811604 
1 1 1   11   39   32 o   15.537   2.8392   31.900   10.033   0.0000   0.0000   31.900   10.033  ?   ?    15.537   2.8392 0.000000 2.839209 
1 1 1   11   39   33 o   8.9430   2.7681   10.600   6.4441   0.0000   0.0000   10.600   6.4441  ?   ?    8.9430   2.7681 0.000000 2.768104 
1 1 1   11   39   34 o   16.032   2.8014   34.600   10.219   0.0000   0.0000   34.600   10.219  ?   ?    16.032   2.8014 0.000000 2.801368 
1 1 1   11   39   35 o   10.593   2.6332   15.300   6.5585   0.0000   0.0000   15.300   6.5585  ?   ?    10.593   2.6332 0.000000 2.633216 
1 1 1   11   39   36 o   14.518   2.8897   29.200   9.5584   0.0000   0.0000   29.200   9.5584  ?   ?    14.518   2.8897 0.000000 2.889692 
1 1 1   11   39   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   40    0 o   27.006   3.2526   90.900   19.945   90.900   19.945   90.900   19.945   27.006   3.2526   27.006   3.2526 0.000000 0.000000 
1 1 1   11   40    1 o   11.217   2.1002   15.503   5.3585   12.800   7.0919   19.100   8.1804   10.158   2.8439   12.347   2.8617 -2.188495 4.034452 
1 1 1   11   40    2 o   18.842   2.0010   42.820   8.7667   51.200   12.051   33.400   12.777   20.501   2.5440   16.281   3.4316 4.220016 4.271742 
1 1 1   11   40    3 o   35.571   2.4305  152.397   20.293  152.100   28.576  152.700   28.822   35.175   3.4864   35.235   3.5108 -0.6026077E-01 4.947772 
1 1 1   11   40    4 o   17.138   1.8281   35.374   7.2843   30.000   10.186   41.000   10.421   15.535   2.8828   18.329   2.4707 -2.794146 3.796657 
1 1 1   11   40    5 o   44.106   2.8372  235.557   29.392  208.000   41.573  263.100   41.562   40.731   4.3919   46.154   3.8486 -5.423607 5.839528 
1 1 1   11   40    6 o   24.192   2.0134   70.329   11.398   77.200   16.529   64.100   15.737   25.149   2.8326   22.844   2.9891 2.304432 4.118045 
1 1 1   11   40    7 o   42.817   2.7118  221.693   27.277  246.000   38.784  197.900   38.371   44.666   3.7108   39.822   4.1411 4.843330 5.560424 
1 1 1   11   40    8 f   32.308   2.2562  125.577   17.105  148.200   24.481  104.000   23.909   34.873   3.0022   28.973   3.5701 5.899940 4.664630 
1 1 1   11   40    9 o   44.145   2.4628  234.713   25.571  295.400   36.529  176.400   35.807   49.239   3.1584   37.581   4.1016 11.65750 5.176691 
1 1 1   11   40   10 o   39.858   2.3973  191.321   22.458  232.400   32.134  152.100   31.400   43.648   3.1387   34.962   3.8681 8.686337 4.981347 
1 1 1   11   40   11 o   23.721   1.9917   67.679   11.053   79.200   15.611   56.100   15.651   25.510   2.6293   21.254   3.2193 4.256325 4.156596 
1 1 1   11   40   12 o   22.775   1.8922   62.338   10.084   47.900   14.068   77.600   14.464   19.620   3.1425   25.289   2.4529 -5.668789 3.986496 
1 1 1   11   40   13 o   28.176   2.2093   95.787   14.582   83.700   20.877  107.300   20.375   25.904   3.5029   29.591   2.9555 -3.687044 4.583095 
1 1 1   11   40   14 o   17.103   1.9632   35.436   7.7851   30.800   11.808   39.000   10.354   15.586   3.3105   17.813   2.5330 -2.226542 4.168376 
1 1 1   11   40   15 o   23.168   1.9759   64.704   10.706   64.500   15.287   64.900   14.999   22.868   2.8958   22.962   2.8259 -0.9459114E-01 4.046173 
1 1 1   11   40   16 o   40.066   2.6971  195.559   25.369  155.300   35.971  235.400   35.784   34.745   4.4893   43.524   3.5117 -8.779289 5.699652 
1 1 1   11   40   17 o   18.356   2.6784   41.700   11.268   0.0000   0.0000   41.700   11.268  ?   ?    18.356   2.6784 0.000000 2.678368 
1 1 1   11   40   18 o   22.925   2.8412   65.000   15.051   0.0000   0.0000   65.000   15.051  ?   ?    22.925   2.8412 0.000000 2.841246 
1 1 1   11   40   19 o   38.386   3.7225  186.000   33.317   0.0000   0.0000  186.000   33.317  ?   ?    38.386   3.7225 0.000000 3.722452 
1 1 1   11   40   20 o   22.856   2.7926   64.800   14.758   0.0000   0.0000   64.800   14.758  ?   ?    22.856   2.7926 0.000000 2.792584 
1 1 1   11   40   21 o   26.244   2.9948   85.900   18.227   0.0000   0.0000   85.900   18.227  ?   ?    26.244   2.9948 0.000000 2.994816 
1 1 1   11   40   22 o   38.097   3.7648  185.500   33.426   0.0000   0.0000  185.500   33.426  ?   ?    38.097   3.7648 0.000000 3.764846 
1 1 1   11   40   23 o   5.6590   2.0867   3.1000   3.6775   0.0000   0.0000   3.1000   3.6775  ?   ?    5.6590   2.0867 0.000000 2.086735 
1 1 1   11   40   24 f   25.740   3.0158   83.100   17.983   0.0000   0.0000   83.100   17.983  ?   ?    25.740   3.0158 0.000000 3.015781 
1 1 1   11   40   25 o   39.742   3.9140  204.700   36.254   0.0000   0.0000  204.700   36.254  ?   ?    39.742   3.9140 0.000000 3.913952 
1 1 1   11   40   26 o   31.229   3.3103  124.100   24.039   0.0000   0.0000  124.100   24.039  ?   ?    31.229   3.3103 0.000000 3.310295 
1 1 1   11   40   27 o   10.662   2.6791   14.600   6.7371   0.0000   0.0000   14.600   6.7371  ?   ?    10.662   2.6791 0.000000 2.679131 
1 1 1   11   40   28 o   27.653   3.1278   98.000   20.065   0.0000   0.0000   98.000   20.065  ?   ?    27.653   3.1278 0.000000 3.127797 
1 1 1   11   40   29 o   13.520   2.6508   23.600   8.1601   0.0000   0.0000   23.600   8.1601  ?   ?    13.520   2.6508 0.000000 2.650795 
1 1 1   11   40   30 o   24.594   3.0057   79.100   17.092   0.0000   0.0000   79.100   17.092  ?   ?    24.594   3.0057 0.000000 3.005742 
1 1 1   11   40   31 o   24.347   3.2193   79.800   18.055   0.0000   0.0000   79.800   18.055  ?   ?    24.347   3.2193 0.000000 3.219317 
1 1 1   11   40   32 o   7.7222   2.5136   7.6000   5.2564   0.0000   0.0000   7.6000   5.2564  ?   ?    7.7222   2.5136 0.000000 2.513645 
1 1 1   11   40   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   40   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41    0 o   3.2987   2.2317  -2.5000   5.1249  -2.5000   5.1249  -2.5000   5.1249   3.2987   2.2317   3.2987   2.2317 -0.000000 0.000000 
1 1 1   11   41    1 o   18.839   2.7298   43.600   11.790   43.600   11.790   0.0000   0.0000   18.839   2.7298  ?   ?  0.000000 2.729818 
1 1 1   11   41    2 o   50.272   2.9970  306.911   35.416  246.200   49.866  368.700   50.307   44.001   4.8816   54.588   3.9290 -10.58678 6.266349 
1 1 1   11   41    3 o   23.854   1.9767   68.377   11.034   92.300   15.765   45.400   15.450   27.625   2.4418   18.987   3.5772 8.638544 4.331100 
1 1 1   11   41    4 o   30.471   2.1406  111.589   15.305  149.000   21.780   75.100   21.510   35.079   2.6489   24.446   3.8539 10.63275 4.676480 
1 1 1   11   41    5 o   15.317   1.8396   28.363   6.5205   32.400   9.3247   24.500   9.1213   16.237   2.5133   13.998   2.8562 2.238277 3.804509 
1 1 1   11   41    6 o   16.655   1.8324   33.466   7.0876   39.200   10.348   28.400   9.7274   17.888   2.5197   15.100   2.8322 2.787822 3.790802 
1 1 1   11   41    7 o   58.124   3.2406  412.806   44.301  530.800   63.113  298.200   62.200   65.275   4.1156   47.775   5.6211 17.50072 6.966687 
1 1 1   11   41    8 o   27.042   2.0146   87.906   12.772  103.400   18.502   73.800   17.653   29.139   2.7204   24.448   3.1297 4.690689 4.146756 
1 1 1   11   41    9 o   15.007   2.0757   27.451   7.1587   14.700   10.753   37.600   9.5935   11.059   3.5951   17.534   2.3784 -6.475034 4.310625 
1 1 1   11   41   10 f   54.318   3.1625  361.167   40.388  401.800   57.538  321.700   56.706   56.429   4.3517   50.069   4.8573 6.360111 6.521536 
1 1 1   11   41   11 o   29.320   2.1873  103.716   15.035   92.300   21.325  115.000   21.200   27.241   3.3882   30.616   2.9698 -3.374523 4.505520 
1 1 1   11   41   12 o   30.423   2.2602  111.856   16.121   91.600   22.888  131.800   22.710   26.991   3.6875   32.776   2.9664 -5.785065 4.732590 
1 1 1   11   41   13 o   23.645   1.9741   67.419   10.921   71.200   15.510   63.700   15.380   24.064   2.7807   22.692   2.9394 1.371899 4.046285 
1 1 1   11   41   14 o   33.338   2.3227  134.598   18.171  139.700   26.101  129.800   25.312   33.529   3.3411   32.296   3.3687 1.233292 4.744584 
1 1 1   11   41   15 o   21.528   2.7430   57.200   13.627   0.0000   0.0000   57.200   13.627  ?   ?    21.528   2.7430 0.000000 2.742993 
1 1 1   11   41   16 o   13.597   2.5463   23.100   7.8753   0.0000   0.0000   23.100   7.8753  ?   ?    13.597   2.5463 0.000000 2.546314 
1 1 1   11   41   17 o   12.207   2.4838   18.700   6.9162   0.0000   0.0000   18.700   6.9162  ?   ?    12.207   2.4838 0.000000 2.483821 
1 1 1   11   41   18 o   11.318   2.5970   16.200   6.7933   0.0000   0.0000   16.200   6.7933  ?   ?    11.318   2.5970 0.000000 2.596952 
1 1 1   11   41   19 o   9.3849   2.4780   11.100   5.5727   0.0000   0.0000   11.100   5.5727  ?   ?    9.3849   2.4780 0.000000 2.478026 
1 1 1   11   41   20 o   13.109   2.5214   21.600   7.5216   0.0000   0.0000   21.600   7.5216  ?   ?    13.109   2.5214 0.000000 2.521442 
1 1 1   11   41   21 o   26.644   3.0121   88.800   18.618   0.0000   0.0000   88.800   18.618  ?   ?    26.644   3.0121 0.000000 3.012083 
1 1 1   11   41   22 o   13.226   2.6215   22.100   7.8979   0.0000   0.0000   22.100   7.8979  ?   ?    13.226   2.6215 0.000000 2.621549 
1 1 1   11   41   23 o   8.2161   2.4083   8.4000   4.9744   0.0000   0.0000   8.4000   4.9744  ?   ?    8.2161   2.4083 0.000000 2.408279 
1 1 1   11   41   24 o   20.090   2.7397   50.600   12.658   0.0000   0.0000   50.600   12.658  ?   ?    20.090   2.7397 0.000000 2.739688 
1 1 1   11   41   25 o   15.208   2.6815   29.300   9.2776   0.0000   0.0000   29.300   9.2776  ?   ?    15.208   2.6815 0.000000 2.681499 
1 1 1   11   41   26 o   28.036   3.1749  100.600   20.648   0.0000   0.0000  100.600   20.648  ?   ?    28.036   3.1749 0.000000 3.174879 
1 1 1   11   41   27 o   14.690   2.6175   27.600   8.7468   0.0000   0.0000   27.600   8.7468  ?   ?    14.690   2.6175 0.000000 2.617488 
1 1 1   11   41   28 o   31.061   3.4746  128.400   25.048   0.0000   0.0000  128.400   25.048  ?   ?    31.061   3.4746 0.000000 3.474648 
1 1 1   11   41   29 o   30.437   3.5655  126.000   25.140   0.0000   0.0000  126.000   25.140  ?   ?    30.437   3.5655 0.000000 3.565504 
1 1 1   11   41   30 o   28.090   3.4700  108.700   22.527   0.0000   0.0000  108.700   22.527  ?   ?    28.090   3.4700 0.000000 3.469996 
1 1 1   11   41   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   41   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   42    0 o   10.921   4.0453   19.200   9.6815   19.200   9.6815   19.200   9.6815   10.921   4.0453   10.921   4.0453 0.000000 0.000000 
1 1 1   11   42    1 o   17.000   1.8455   34.892   7.2894   29.600   9.6570   41.900   11.113   15.428   2.7517   18.460   2.6233 -3.032361 3.801788 
1 1 1   11   42    2 f   8.8672   2.1861   9.7981   4.5483   5.5000   5.9181   16.000   7.1089   7.3516   2.6568   11.286   2.7031 -3.934811 3.790102 
1 1 1   11   42    3 o   26.654   2.0984   85.605   13.101  103.200   18.577   68.200   18.477   29.087   2.7369   23.355   3.4546 5.731390 4.407359 
1 1 1   11   42    4 o   27.577   2.0914   91.602   13.518  113.800   19.226   69.900   19.010   30.568   2.6909   23.624   3.5149 6.944508 4.426663 
1 1 1   11   42    5 o   39.345   2.6364  187.835   24.352  179.300   34.509  196.300   34.369   37.829   3.9201   39.715   3.7077 -1.885365 5.395746 
1 1 1   11   42    6 o   61.838   3.5796  472.677   52.047  389.900   73.267  557.000   73.948   54.205   5.8150   66.018   4.7758 -11.81276 7.524789 
1 1 1   11   42    7 o   29.930   2.2453  108.216   15.753  100.400   22.449  115.800   22.113   28.405   3.4153   30.664   3.0963 -2.258993 4.609886 
1 1 1   11   42    8 o   41.050   2.5295  204.276   24.400  231.500   35.023  178.600   34.013   43.233   3.4597   37.717   3.8740 5.516281 5.193959 
1 1 1   11   42    9 o   13.425   2.0258   22.066   6.2224   7.8000   9.0796   34.700   8.5443   8.8597   3.2765   16.857   2.1988 -7.997632 3.945947 
1 1 1   11   42   10 o   14.849   1.9589   26.848   6.7006   31.000   10.504   24.000   8.7007   15.714   2.9389   13.829   2.7611 1.884578 4.032466 
1 1 1   11   42   11 o   32.540   3.3239  131.600   25.181   0.0000   0.0000  131.600   25.181  ?   ?    32.540   3.3239 0.000000 3.323855 
1 1 1   11   42   12 o   43.423   4.0890  239.300   41.434   0.0000   0.0000  239.300   41.434  ?   ?    43.423   4.0890 0.000000 4.089035 
1 1 1   11   42   13 o   5.3461   2.0001   2.6000   3.4028   0.0000   0.0000   2.6000   3.4028  ?   ?    5.3461   2.0001 0.000000 2.000131 
1 1 1   11   42   14 o   10.271   2.5040   13.300   6.0182   0.0000   0.0000   13.300   6.0182  ?   ?    10.271   2.5040 0.000000 2.504028 
1 1 1   11   42   15 o   18.568   2.6575   42.800   11.320   0.0000   0.0000   42.800   11.320  ?   ?    18.568   2.6575 0.000000 2.657453 
1 1 1   11   42   16 o   38.931   3.7975  192.800   34.466   0.0000   0.0000  192.800   34.466  ?   ?    38.931   3.7975 0.000000 3.797494 
1 1 1   11   42   17 o   9.5872   2.5165   11.600   5.7691   0.0000   0.0000   11.600   5.7691  ?   ?    9.5872   2.5165 0.000000 2.516466 
1 1 1   11   42   18 o   10.932   2.4798   15.100   6.2542   0.0000   0.0000   15.100   6.2542  ?   ?    10.932   2.4798 0.000000 2.479828 
1 1 1   11   42   19 o   26.707   3.0278   89.200   18.757   0.0000   0.0000   89.200   18.757  ?   ?    26.707   3.0278 0.000000 3.027759 
1 1 1   11   42   20 o   18.707   2.7016   43.700   11.588   0.0000   0.0000   43.700   11.588  ?   ?    18.707   2.7016 0.000000 2.701616 
1 1 1   11   42   21 o   3.5530   1.6090  -1.6000   2.9034   0.0000   0.0000  -1.6000   2.9034  ?   ?    3.5530   1.6090 0.000000 1.608989 
1 1 1   11   42   22 o   6.6647   2.3570   4.8000   4.6327   0.0000   0.0000   4.8000   4.6327  ?   ?    6.6647   2.3570 0.000000 2.357037 
1 1 1   11   42   23 o   29.470   3.2215  110.300   22.053   0.0000   0.0000  110.300   22.053  ?   ?    29.470   3.2215 0.000000 3.221499 
1 1 1   11   42   24 o   4.1845   1.8439  -0.9000   3.5468   0.0000   0.0000  -0.9000   3.5468  ?   ?    4.1845   1.8439 0.000000 1.843936 
1 1 1   11   42   25 o   15.888   2.6681   32.200   9.6552   0.0000   0.0000   32.200   9.6552  ?   ?    15.888   2.6681 0.000000 2.668130 
1 1 1   11   42   26 f   32.857   3.5829  143.700   27.348   0.0000   0.0000  143.700   27.348  ?   ?    32.857   3.5829 0.000000 3.582902 
1 1 1   11   42   27 o   25.068   3.2335   83.400   18.694   0.0000   0.0000   83.400   18.694  ?   ?    25.068   3.2335 0.000000 3.233536 
1 1 1   11   42   28 o   22.188   3.0968   65.800   15.783   0.0000   0.0000   65.800   15.783  ?   ?    22.188   3.0968 0.000000 3.096843 
1 1 1   11   42   29 o   26.314   3.3985   95.500   20.624   0.0000   0.0000   95.500   20.624  ?   ?    26.314   3.3985 0.000000 3.398456 
1 1 1   11   42   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   42   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   42   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   42   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43    1 o   26.220   2.1101   83.028   12.954   69.200   18.208   97.200   18.434   23.506   3.3775   28.152   2.8105 -4.646828 4.393890 
1 1 1   11   43    2 o   25.166   2.1408   76.582   12.601   57.600   17.932   95.100   17.711   21.284   3.7022   27.873   2.7258 -6.588655 4.597433 
1 1 1   11   43    3 o   15.572   1.8635   29.400   6.7160   29.400   9.4276   29.400   9.5696   15.363   2.6972   15.351   2.7405 0.1147747E-01 3.845148 
1 1 1   11   43    4 o   21.160   1.9458   54.061   9.6136   43.800   13.474   64.700   13.720   18.677   3.1684   22.989   2.5715 -4.312296 4.080650 
1 1 1   11   43    5 o   31.271   2.2938  118.384   16.819  112.600   23.753  124.200   23.820   30.052   3.4075   31.659   3.2315 -1.607576 4.696124 
1 1 1   11   43    6 o   30.960   2.2369  115.936   16.244  116.600   23.219  115.300   22.732   30.648   3.2584   30.499   3.2043 0.1486320 4.569941 
1 1 1   11   43    7 o   26.606   2.1300   85.598   13.270   75.700   18.961   95.100   18.577   24.582   3.3540   27.795   2.8718 -3.213337 4.415493 
1 1 1   11   43    8 o   26.424   2.9946   86.400   18.355   0.0000   0.0000   86.400   18.355  ?   ?    26.424   2.9946 0.000000 2.994556 
1 1 1   11   43    9 o   15.761   2.6951   31.000   9.6700   0.0000   0.0000   31.000   9.6700  ?   ?    15.761   2.6951 0.000000 2.695137 
1 1 1   11   43   10 o   11.939   2.5036   17.900   6.8327   0.0000   0.0000   17.900   6.8327  ?   ?    11.939   2.5036 0.000000 2.503648 
1 1 1   11   43   11 o   10.892   2.6297   15.000   6.6868   0.0000   0.0000   15.000   6.6868  ?   ?    10.892   2.6297 0.000000 2.629684 
1 1 1   11   43   12 o   28.690   3.1287  102.600   20.853   0.0000   0.0000  102.600   20.853  ?   ?    28.690   3.1287 0.000000 3.128724 
1 1 1   11   43   13 o   34.216   3.5635  147.900   28.369   0.0000   0.0000  147.900   28.369  ?   ?    34.216   3.5635 0.000000 3.563493 
1 1 1   11   43   14 o   36.207   3.6125  166.000   30.474   0.0000   0.0000  166.000   30.474  ?   ?    36.207   3.6125 0.000000 3.612484 
1 1 1   11   43   15 f   17.687   3.0533   39.600   12.292   0.0000   0.0000   39.600   12.292  ?   ?    17.687   3.0533 0.000000 3.053331 
1 1 1   11   43   16 o   31.552   3.3294  125.300   24.431   0.0000   0.0000  125.300   24.431  ?   ?    31.552   3.3294 0.000000 3.329382 
1 1 1   11   43   17 o   21.372   2.9704   57.300   14.585   0.0000   0.0000   57.300   14.585  ?   ?    21.372   2.9704 0.000000 2.970350 
1 1 1   11   43   18 o   21.415   2.9529   57.600   14.535   0.0000   0.0000   57.600   14.535  ?   ?    21.415   2.9529 0.000000 2.952858 
1 1 1   11   43   19 o   24.354   2.9253   74.300   16.486   0.0000   0.0000   74.300   16.486  ?   ?    24.354   2.9253 0.000000 2.925276 
1 1 1   11   43   20 o   1.7469   0.8764  -4.6000   1.5717   0.0000   0.0000  -4.6000   1.5717  ?   ?    1.7469   0.8764 0.000000 0.8764272 
1 1 1   11   43   21 o   29.780   3.3130  113.100   22.902   0.0000   0.0000  113.100   22.902  ?   ?    29.780   3.3130 0.000000 3.313008 
1 1 1   11   43   22 o   11.694   3.0106   17.800   8.3626   0.0000   0.0000   17.800   8.3626  ?   ?    11.694   3.0106 0.000000 3.010555 
1 1 1   11   43   23 o   34.273   3.7461  155.200   29.824   0.0000   0.0000  155.200   29.824  ?   ?    34.273   3.7461 0.000000 3.746097 
1 1 1   11   43   24 o   26.764   3.2698   93.700   20.235   0.0000   0.0000   93.700   20.235  ?   ?    26.764   3.2698 0.000000 3.269776 
1 1 1   11   43   25 o   29.456   3.4785  116.300   23.728   0.0000   0.0000  116.300   23.728  ?   ?    29.456   3.4785 0.000000 3.478468 
1 1 1   11   43   26 o   21.163   3.0345   59.400   14.730   0.0000   0.0000   59.400   14.730  ?   ?    21.163   3.0345 0.000000 3.034534 
1 1 1   11   43   27 o   7.4308   2.7103   6.3000   6.1798   0.0000   0.0000   6.3000   6.1798  ?   ?    7.4308   2.7103 0.000000 2.710325 
1 1 1   11   43   28 o   7.9630   2.6989   8.0000   6.0469   0.0000   0.0000   8.0000   6.0469  ?   ?    7.9630   2.6989 0.000000 2.698942 
1 1 1   11   43   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   43   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   44    0 o   24.939   3.2124   78.500   18.055   78.500   18.055   78.500   18.055   24.939   3.2124   24.939   3.2124 -0.000000 0.000000 
1 1 1   11   44    1 o   26.003   2.1034   81.852   12.805   95.900   18.451   68.800   17.785   27.889   2.8413   23.395   3.3118 4.494232 4.363626 
1 1 1   11   44    2 f   19.183   1.9011   44.536   8.4982   52.300   12.519   37.900   11.573   20.588   2.6355   17.387   2.9226 3.200680 3.935409 
1 1 1   11   44    3 o   7.7316   2.2746   7.3449   4.4302  -1.8000   7.4732   12.300   5.5010   6.0702   2.6756   9.8926   2.3832 -3.822371 3.583080 
1 1 1   11   44    4 o   23.981   3.0695   71.700   16.983   0.0000   0.0000   71.700   16.983  ?   ?    23.981   3.0695 0.000000 3.069472 
1 1 1   11   44    5 o   16.542   2.9909   34.500   11.253   0.0000   0.0000   34.500   11.253  ?   ?    16.542   2.9909 0.000000 2.990884 
1 1 1   11   44    6 o   51.061   4.7669  341.200   56.811   0.0000   0.0000  341.200   56.811  ?   ?    51.061   4.7669 0.000000 4.766866 
1 1 1   11   44    7 o   12.750   2.8010   20.600   8.2026   0.0000   0.0000   20.600   8.2026  ?   ?    12.750   2.8010 0.000000 2.800955 
1 1 1   11   44    8 o   23.365   3.0854   68.300   16.607   0.0000   0.0000   68.300   16.607  ?   ?    23.365   3.0854 0.000000 3.085407 
1 1 1   11   44    9 o   38.695   3.7859  190.200   34.149   0.0000   0.0000  190.200   34.149  ?   ?    38.695   3.7859 0.000000 3.785851 
1 1 1   11   44   10 o   16.453   2.8877   34.100   10.810   0.0000   0.0000   34.100   10.810  ?   ?    16.453   2.8877 0.000000 2.887712 
1 1 1   11   44   11 o   12.527   3.0543   20.100   8.9531   0.0000   0.0000   20.100   8.9531  ?   ?    12.527   3.0543 0.000000 3.054270 
1 1 1   11   44   12 o   29.653   3.2169  110.200   22.164   0.0000   0.0000  110.200   22.164  ?   ?    29.653   3.2169 0.000000 3.216854 
1 1 1   11   44   13 o   6.4289   2.6167   2.2000   6.2410   0.0000   0.0000   2.2000   6.2410  ?   ?    6.4289   2.6167 0.000000 2.616693 
1 1 1   11   44   14 o   32.239   3.3809  131.000   25.355   0.0000   0.0000  131.000   25.355  ?   ?    32.239   3.3809 0.000000 3.380883 
1 1 1   11   44   15 o   30.308   3.2493  115.600   22.892   0.0000   0.0000  115.600   22.892  ?   ?    30.308   3.2493 0.000000 3.249293 
1 1 1   11   44   16 o   17.444   2.8726   38.400   11.421   0.0000   0.0000   38.400   11.421  ?   ?    17.444   2.8726 0.000000 2.872648 
1 1 1   11   44   17 o   24.297   3.0012   74.200   16.853   0.0000   0.0000   74.200   16.853  ?   ?    24.297   3.0012 0.000000 3.001223 
1 1 1   11   44   18 o   17.141   2.9116   37.300   11.363   0.0000   0.0000   37.300   11.363  ?   ?    17.141   2.9116 0.000000 2.911555 
1 1 1   11   44   19 o   13.547   3.0539   23.800   9.5361   0.0000   0.0000   23.800   9.5361  ?   ?    13.547   3.0539 0.000000 3.053934 
1 1 1   11   44   20 o   12.862   2.9654   21.500   8.8220   0.0000   0.0000   21.500   8.8220  ?   ?    12.862   2.9654 0.000000 2.965409 
1 1 1   11   44   21 o   5.6707   2.1543   2.9000   3.9819   0.0000   0.0000   2.9000   3.9819  ?   ?    5.6707   2.1543 0.000000 2.154340 
1 1 1   11   44   22 o   25.090   3.0558   81.500   17.730   0.0000   0.0000   81.500   17.730  ?   ?    25.090   3.0558 0.000000 3.055805 
1 1 1   11   44   23 o   14.194   2.7351   26.300   8.8351   0.0000   0.0000   26.300   8.8351  ?   ?    14.194   2.7351 0.000000 2.735118 
1 1 1   11   44   24 o   15.478   2.7751   31.500   9.7704   0.0000   0.0000   31.500   9.7704  ?   ?    15.478   2.7751 0.000000 2.775098 
1 1 1   11   44   25 o   5.9879   2.3559   3.0000   4.8860   0.0000   0.0000   3.0000   4.8860  ?   ?    5.9879   2.3559 0.000000 2.355935 
1 1 1   11   44   26 o   15.271   2.7834   31.100   9.6674   0.0000   0.0000   31.100   9.6674  ?   ?    15.271   2.7834 0.000000 2.783435 
1 1 1   11   44   27 o   12.129   2.6797   19.800   7.4701   0.0000   0.0000   19.800   7.4701  ?   ?    12.129   2.6797 0.000000 2.679662 
1 1 1   11   44   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   44   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   44   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   45    2 o   29.618   3.2439  109.800   22.317   0.0000   0.0000  109.800   22.317  ?   ?    29.618   3.2439 0.000000 3.243882 
1 1 1   11   45    3 o   24.369   3.0234   74.100   17.024   0.0000   0.0000   74.100   17.024  ?   ?    24.369   3.0234 0.000000 3.023368 
1 1 1   11   45    4 o   9.0686   2.9840   9.8000   7.3999   0.0000   0.0000   9.8000   7.3999  ?   ?    9.0686   2.9840 0.000000 2.983952 
1 1 1   11   45    5 o   21.880   2.9085   59.700   14.655   0.0000   0.0000   59.700   14.655  ?   ?    21.880   2.9085 0.000000 2.908456 
1 1 1   11   45    6 o   27.138   3.1392   92.100   19.745   0.0000   0.0000   92.100   19.745  ?   ?    27.138   3.1392 0.000000 3.139198 
1 1 1   11   45    7 o   9.7289   3.0174   11.700   7.6528   0.0000   0.0000   11.700   7.6528  ?   ?    9.7289   3.0174 0.000000 3.017414 
1 1 1   11   45    8 f   19.805   2.8521   49.000   12.954   0.0000   0.0000   49.000   12.954  ?   ?    19.805   2.8521 0.000000 2.852058 
1 1 1   11   45    9 o   11.968   2.7546   18.200   7.6236   0.0000   0.0000   18.200   7.6236  ?   ?    11.968   2.7546 0.000000 2.754615 
1 1 1   11   45   10 o   18.014   2.9042   40.800   11.934   0.0000   0.0000   40.800   11.934  ?   ?    18.014   2.9042 0.000000 2.904225 
1 1 1   11   45   11 o   29.987   3.2625  113.100   22.729   0.0000   0.0000  113.100   22.729  ?   ?    29.987   3.2625 0.000000 3.262475 
1 1 1   11   45   12 o   31.816   3.4777  128.400   25.702   0.0000   0.0000  128.400   25.702  ?   ?    31.816   3.4777 0.000000 3.477690 
1 1 1   11   45   13 o   24.462   2.9801   75.000   16.858   0.0000   0.0000   75.000   16.858  ?   ?    24.462   2.9801 0.000000 2.980100 
1 1 1   11   45   14 f   13.084   3.1077   22.100   9.4590   0.0000   0.0000   22.100   9.4590  ?   ?    13.084   3.1077 0.000000 3.107714 
1 1 1   11   45   15 o   10.894   2.7920   15.200   7.2154   0.0000   0.0000   15.200   7.2154  ?   ?    10.894   2.7920 0.000000 2.791983 
1 1 1   11   45   16 o   4.0906   1.8180  -1.2000   3.5201   0.0000   0.0000  -1.2000   3.5201  ?   ?    4.0906   1.8180 0.000000 1.817994 
1 1 1   11   45   17 o   28.174   3.2447  101.500   21.193   0.0000   0.0000  101.500   21.193  ?   ?    28.174   3.2447 0.000000 3.244726 
1 1 1   11   45   18 o   7.0852   2.4168   5.8000   4.8489   0.0000   0.0000   5.8000   4.8489  ?   ?    7.0852   2.4168 0.000000 2.416756 
1 1 1   11   45   19 o   8.8765   2.7046  10.0000   6.1805   0.0000   0.0000  10.0000   6.1805  ?   ?    8.8765   2.7046 0.000000 2.704550 
1 1 1   11   45   20 o   10.586   3.0384   14.800   7.9930   0.0000   0.0000   14.800   7.9930  ?   ?    10.586   3.0384 0.000000 3.038426 
1 1 1   11   45   21 f   9.2181   3.0581   10.800   7.7662   0.0000   0.0000   10.800   7.7662  ?   ?    9.2181   3.0581 0.000000 3.058064 
1 1 1   11   45   22 o   5.3349   2.3693  -1.4000   5.9684   0.0000   0.0000  -1.4000   5.9684  ?   ?    5.3349   2.3693 0.000000 2.369282 
1 1 1   11   45   23 f   19.305   3.1527   50.300   13.876   0.0000   0.0000   50.300   13.876  ?   ?    19.305   3.1527 0.000000 3.152666 
1 1 1   11   45   24 o   16.863   3.0508   38.500   11.701   0.0000   0.0000   38.500   11.701  ?   ?    16.863   3.0508 0.000000 3.050767 
1 1 1   11   45   25 o   6.5141   2.6794   2.8000   6.6303   0.0000   0.0000   2.8000   6.6303  ?   ?    6.5141   2.6794 0.000000 2.679380 
1 1 1   11   45   26 o  ?   ?  -19.3000   2.0169   0.0000   0.0000 -19.3000   2.0169  ?   ?   ?   ?  0.000000      ? 
1 1 1   11   45   27 f   4.8267   2.1919  -2.4000   5.4340   0.0000   0.0000  -2.4000   5.4340  ?   ?    4.8267   2.1919 0.000000 2.191861 
1 1 1   11   45   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   46   10 o   35.663   3.7447  163.200   31.064   0.0000   0.0000  163.200   31.064  ?   ?    35.663   3.7447 0.000000 3.744702 
1 1 1   11   46   11 o   21.073   3.0523   56.200   14.746   0.0000   0.0000   56.200   14.746  ?   ?    21.073   3.0523 0.000000 3.052300 
1 1 1   11   46   12 o   13.501   2.8037   23.300   8.6461   0.0000   0.0000   23.300   8.6461  ?   ?    13.501   2.8037 0.000000 2.803749 
1 1 1   11   46   13 o   6.4132   2.5273   3.1000   5.6314   0.0000   0.0000   3.1000   5.6314  ?   ?    6.4132   2.5273 0.000000 2.527348 
1 1 1   11   46   14 f   8.1148   2.7295   7.8000   6.1843   0.0000   0.0000   7.8000   6.1843  ?   ?    8.1148   2.7295 0.000000 2.729537 
1 1 1   11   46   15 o   23.034   3.0806   68.000   16.337   0.0000   0.0000   68.000   16.337  ?   ?    23.034   3.0806 0.000000 3.080618 
1 1 1   11   46   16 o   24.633   3.0741   78.100   17.492   0.0000   0.0000   78.100   17.492  ?   ?    24.633   3.0741 0.000000 3.074085 
1 1 1   11   46   17 o   19.991   2.8419   51.400   13.037   0.0000   0.0000   51.400   13.037  ?   ?    19.991   2.8419 0.000000 2.841862 
1 1 1   11   46   18 o   3.7860   1.8112  -6.0000   4.5866   0.0000   0.0000  -6.0000   4.5866  ?   ?    3.7860   1.8112 0.000000 1.811206 
1 1 1   11   46   19 o   9.8769   2.9176   12.900   7.2761   0.0000   0.0000   12.900   7.2761  ?   ?    9.8769   2.9176 0.000000 2.917639 
1 1 1   11   46   20 o   11.250   2.9886   17.100   8.0739   0.0000   0.0000   17.100   8.0739  ?   ?    11.250   2.9886 0.000000 2.988615 
1 1 1   11   46   21 o   22.920   3.0379   70.000   16.037   0.0000   0.0000   70.000   16.037  ?   ?    22.920   3.0379 0.000000 3.037894 
1 1 1   11   46   22 o   6.3696   2.4067   4.1000   4.9526   0.0000   0.0000   4.1000   4.9526  ?   ?    6.3696   2.4067 0.000000 2.406749 
1 1 1   11   46   23 f   6.6331   2.3888   5.0000   4.7790   0.0000   0.0000   5.0000   4.7790  ?   ?    6.6331   2.3888 0.000000 2.388818 
1 1 1   11   46   24 o   16.466   2.7674   36.300   10.379   0.0000   0.0000   36.300   10.379  ?   ?    16.466   2.7674 0.000000 2.767408 
1 1 1   11   46   25 o   10.536   3.0497   15.400   8.0218   0.0000   0.0000   15.400   8.0218  ?   ?    10.536   3.0497 0.000000 3.049721 
1 1 1   11   46   26 o   8.3140   2.7183   9.1000   6.1446   0.0000   0.0000   9.1000   6.1446  ?   ?    8.3140   2.7183 0.000000 2.718297 
1 1 1   11   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   47   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   48   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   49   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   50   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   51   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   11   52    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0    1 o   13.034   1.7365   21.105   5.0793   21.105   5.0793   21.105   5.0793   13.034   1.7365   13.034   1.7365 0.000000 0.000000 
1 1 1   12    0    2 o  139.486   7.1005  2320.28  232.490  2320.28  232.490  2320.28  232.490  139.486   7.1005  139.486   7.1005 -0.000000 0.000000 
1 1 1   12    0    3 o  195.454   10.472  4572.18  480.149  4572.18  480.149  4572.18  480.149  195.454   10.472  195.454   10.472 -0.000000 0.000000 
1 1 1   12    0    4 o  353.773   18.883 15155.44  1567.15 15155.44  1567.15 15155.44  1567.15  353.773   18.883  353.773   18.883 0.000000 0.000000 
1 1 1   12    0    5 o   81.286   4.4571  787.905   84.963  787.905   84.963  787.905   84.963   81.286   4.4571   81.286   4.4571 -0.000000 0.000000 
1 1 1   12    0    6 o  167.385   9.1043  3351.58  357.421  3351.58  357.421  3351.58  357.421  167.385   9.1043  167.385   9.1043 -0.000000 0.000000 
1 1 1   12    0    7 o   46.124   2.8313  254.120   30.571  254.120   30.571  254.120   30.571   46.124   2.8313   46.124   2.8313 -0.000000 0.000000 
1 1 1   12    0    8 o   47.310   2.9005  267.358   32.124  267.358   32.124  267.358   32.124   47.310   2.9005   47.310   2.9005 -0.000000 0.000000 
1 1 1   12    0    9 o   95.971   5.3154  1099.31  119.613  1099.31  119.613  1099.31  119.613   95.971   5.3154   95.971   5.3154 -0.000000 0.000000 
1 1 1   12    0   10 o  241.619   13.084  7028.93  741.479  7028.93  741.479  7028.93  741.479  241.619   13.084  241.619   13.084 0.000000 0.000000 
1 1 1   12    0   11 o  102.952   5.6872  1265.54  137.296  1265.54  137.296  1265.54  137.296  102.952   5.6872  102.952   5.6872 0.000000 0.000000 
1 1 1   12    0   12 o   75.014   4.2734  671.673   75.136  671.673   75.136  671.673   75.136   75.014   4.2734   75.014   4.2734 0.000000 0.000000 
1 1 1   12    0   13 o   29.071   2.1238  101.405   14.401  101.405   14.401  101.405   14.401   29.071   2.1238   29.071   2.1238 0.000000 0.000000 
1 1 1   12    0   14 o   48.622   2.9564  282.398   33.657  282.398   33.657  282.398   33.657   48.622   2.9564   48.622   2.9564 0.000000 0.000000 
1 1 1   12    0   15 o  220.445   11.908  5854.04  615.723  5854.04  615.723  5854.04  615.723  220.445   11.908  220.445   11.908 0.000000 0.000000 
1 1 1   12    0   16 o   87.444   4.8332  912.820   99.102  912.820   99.102  912.820   99.102   87.444   4.8332   87.444   4.8332 -0.000000 0.000000 
1 1 1   12    0   17 o   95.265   5.2949  1084.03  118.270  1084.03  118.270  1084.03  118.270   95.265   5.2949   95.265   5.2949 0.000000 0.000000 
1 1 1   12    0   18 o  209.840   11.279  5303.10  555.201  5303.10  555.201  5303.10  555.201  209.840   11.279  209.840   11.279 -0.000000 0.000000 
1 1 1   12    0   19 o  311.416   16.800 11853.94  1227.22 11853.94  1227.22 11853.94  1227.22  311.416   16.800  311.416   16.800 -0.000000 0.000000 
1 1 1   12    0   20 o   82.065   4.5839  804.247   88.195  804.247   88.195  804.247   88.195   82.065   4.5839   82.065   4.5839 -0.000000 0.000000 
1 1 1   12    0   21 o  139.804   10.961  2379.20  356.730  2379.20  356.730  2379.20  356.730  139.804   10.961  139.804   10.961 -0.000000 0.000000 
1 1 1   12    0   22 o   98.557   7.8279  1176.60  179.533  1176.60  179.533  1176.60  179.533   98.557   7.8279   98.557   7.8279 -0.000000 0.000000 
1 1 1   12    0   23 o  147.691   11.632  2668.40  399.895  2668.40  399.895  2668.40  399.895  147.691   11.632  147.691   11.632 -0.000000 0.000000 
1 1 1   12    0   24 o   69.928   5.7424  591.800   93.350  591.800   93.350  591.800   93.350   69.928   5.7424   69.928   5.7424 -0.000000 0.000000 
1 1 1   12    0   25 o   30.957   3.1846  116.900   22.715  116.900   22.715  116.900   22.715   30.957   3.1846   30.957   3.1846 -0.000000 0.000000 
1 1 1   12    0   26 f   19.696   2.7624   48.500   12.123   48.500   12.123   48.500   12.123   19.696   2.7624   19.696   2.7624 -0.000000 0.000000 
1 1 1   12    0   27 o   59.324   5.0108  427.000   69.042  427.000   69.042  427.000   69.042   59.324   5.0108   59.324   5.0108 0.000000 0.000000 
1 1 1   12    0   28 o   8.7557   3.1438   12.000   5.9458   12.000   5.9458   12.000   5.9458   8.7557   3.1438   8.7557   3.1438 -0.000000 0.000000 
1 1 1   12    0   29 o   40.334   3.7585  198.000   35.082  198.000   35.082  198.000   35.082   40.334   3.7585   40.334   3.7585 -0.000000 0.000000 
1 1 1   12    0   30 o   50.560   4.4357  311.200   52.021  311.200   52.021  311.200   52.021   50.560   4.4357   50.560   4.4357 -0.000000 0.000000 
1 1 1   12    0   31 o   55.515   4.7726  375.900   61.502  375.900   61.502  375.900   61.502   55.515   4.7726   55.515   4.7726 -0.000000 0.000000 
1 1 1   12    0   32 o   17.266   2.6979   37.800   10.199   37.800   10.199   37.800   10.199   17.266   2.6979   17.266   2.6979 -0.000000 0.000000 
1 1 1   12    0   33 o   35.931   3.4945  157.800   29.005  157.800   29.005  157.800   29.005   35.931   3.4945   35.931   3.4945 0.000000 0.000000 
1 1 1   12    0   34 o   0.9382   0.6864  -2.4000   0.9523  -2.4000   0.9523  -2.4000   0.9523   0.9382   0.6864   0.9382   0.6864 0.000000 0.000000 
1 1 1   12    0   35 o  109.160   9.0999  1523.00  230.812  1523.00  230.812  1523.00  230.812  109.160   9.0999  109.160   9.0999 0.000000 0.000000 
1 1 1   12    0   36 o   6.9844   2.7851   8.0000   4.4454   8.0000   4.4454   8.0000   4.4454   6.9844   2.7851   6.9844   2.7851 0.000000 0.000000 
1 1 1   12    0   37 o   11.144   2.9411   17.500   6.6867   17.500   6.6867   17.500   6.6867   11.144   2.9411   11.144   2.9411 -0.000000 0.000000 
1 1 1   12    0   38 o   16.251   2.7010   33.900   9.5042   33.900   9.5042   33.900   9.5042   16.251   2.7010   16.251   2.7010 0.000000 0.000000 
1 1 1   12    0   39 o   9.6192   3.0004   13.800   5.9753   13.800   5.9753   13.800   5.9753   9.6192   3.0004   9.6192   3.0004 0.000000 0.000000 
1 1 1   12    0   40 o   10.274   2.9971   15.400   6.3134   15.400   6.3134   15.400   6.3134   10.274   2.9971   10.274   2.9971 0.000000 0.000000 
1 1 1   12    0   41 o   35.241   3.5048  154.200   28.504  154.200   28.504  154.200   28.504   35.241   3.5048   35.241   3.5048 -0.000000 0.000000 
1 1 1   12    0   42 o   5.3818   2.6780   5.1000   4.1262   5.1000   4.1262   5.1000   4.1262   5.3818   2.6780   5.3818   2.6780 -0.000000 0.000000 
1 1 1   12    0   43 o  ?   ?  -10.1000   1.8981 -10.1000   1.8981 -10.1000   1.8981  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   12    0   44 o   53.140   4.8571  359.700   59.778  359.700   59.778  359.700   59.778   53.140   4.8571   53.140   4.8571 0.000000 0.000000 
1 1 1   12    0   45 o   11.936   3.5195   21.100   8.6227   21.100   8.6227   21.100   8.6227   11.936   3.5195   11.936   3.5195 0.000000 0.000000 
1 1 1   12    0   46 o   37.211   3.7422  175.400   32.119  175.400   32.119  175.400   32.119   37.211   3.7422   37.211   3.7422 0.000000 0.000000 
1 1 1   12    0   47 o   39.367   3.9551  198.700   35.915  198.700   35.915  198.700   35.915   39.367   3.9551   39.367   3.9551 -0.000000 0.000000 
1 1 1   12    0   48 o   20.848   2.9268   55.900   13.594   55.900   13.594   55.900   13.594   20.848   2.9268   20.848   2.9268 0.000000 0.000000 
1 1 1   12    0   49 o   6.6363   3.2749   8.0000   6.1499   8.0000   6.1499   8.0000   6.1499   6.6363   3.2749   6.6363   3.2749 0.000000 0.000000 
1 1 1   12    0   50 o   3.8103   2.3419   1.5000   4.0795   1.5000   4.0795   1.5000   4.0795   3.8103   2.3419   3.8103   2.3419 -0.000000 0.000000 
1 1 1   12    0   51 o   7.1395   3.4108   9.4000   6.5968   9.4000   6.5968   9.4000   6.5968   7.1395   3.4108   7.1395   3.4108 0.000000 0.000000 
1 1 1   12    0   52 o   25.455   3.3635   86.900   19.235   86.900   19.235   86.900   19.235   25.455   3.3635   25.455   3.3635 0.000000 0.000000 
1 1 1   12    0   53 o   3.5078   2.2258   0.8000   4.0021   0.8000   4.0021   0.8000   4.0021   3.5078   2.2258   3.5078   2.2258 0.000000 0.000000 
1 1 1   12    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    0   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1    0 o   79.138   6.3631  755.000  117.141  755.000  117.141  755.000  117.141   79.138   6.3631   79.138   6.3631 -0.000000 0.000000 
1 1 1   12    1    1 o  196.620   10.451  4622.70  483.484  4417.00  683.671  4828.50  683.828  190.810   15.302  199.786   14.596 -8.976364 21.14715 
1 1 1   12    1    2 o   11.623   1.6386   16.270   4.3726   12.000   6.1986   20.500   6.1692   9.9022   2.6129   13.013   2.0776 -3.110331 3.338247 
1 1 1   12    1    3 o  227.431   11.970  6206.29  640.571  7028.20  906.073  5385.00  905.737  240.571   16.042  209.459   18.502 31.11261 24.48843 
1 1 1   12    1    4 o  174.775   9.3443  3647.37  384.248  3755.90  543.364  3538.80  543.453  176.413   13.138  171.089   13.563 5.324753 18.88260 
1 1 1   12    1    5 o  170.602   9.1415  3475.14  366.929  3595.20  518.834  3355.00  518.999  172.615   12.820  166.579   13.305 6.036804 18.47678 
1 1 1   12    1    6 o  109.083   5.9137  1414.21  151.759  1454.70  214.589  1373.70  214.651  110.291   8.3004  107.115   8.5577 3.176117 11.92190 
1 1 1   12    1    7 o  262.024   14.097  8308.02  869.035  8209.60  1229.11  8406.40  1228.89  257.087   20.414  260.331   20.147 -3.243347 28.68221 
1 1 1   12    1    8 o   42.997   2.6246  219.264   26.520  242.800   37.534  195.800   37.477   45.176   3.5470   40.492   3.9706 4.683681 5.324125 
1 1 1   12    1    9 o  274.088   14.888  9138.78  959.975  9324.90  1356.95  8952.30  1358.28  272.799   21.232  266.896   21.741 5.903992 30.38848 
1 1 1   12    1   10 o   23.776   1.8962   67.202   10.558   74.100   14.929   60.300   14.933   24.909   2.5753   22.402   2.8904 2.506668 3.871222 
1 1 1   12    1   11 o  107.639   5.7430  1377.94  145.445  1320.80  205.491  1435.30  205.890  104.947   8.3614  109.494   8.0189 -4.547028 11.58514 
1 1 1   12    1   12 o  139.422   7.5459  2320.17  247.507  2464.50  349.940  2175.70  350.116  143.015   10.434  134.132   11.155 8.882706 15.27439 
1 1 1   12    1   13 o   69.930   3.9514  580.565   64.982  595.100   91.850  566.000   91.947   70.616   5.5531   68.836   5.7082 1.780273 7.963659 
1 1 1   12    1   14 o  204.215   11.007  5031.74  528.841  5538.30  747.866  4525.10  747.923  212.363   15.010  190.948   16.757 21.41451 22.49668 
1 1 1   12    1   15 o   41.686   2.5800  206.181   25.272  226.800   35.756  185.600   35.724   43.645   3.4988   39.409   3.8896 4.236092 5.231713 
1 1 1   12    1   16 o  248.287   13.592  7528.33  793.856  7823.40  1122.24  7232.80  1123.12  249.061   19.231  238.723   20.111 10.33873 27.82582 
1 1 1   12    1   17 o  188.087   10.176  4264.88  450.287  4706.40  636.741  3823.20  636.863  195.923   13.852  175.658   15.513 20.26434 20.79779 
1 1 1   12    1   18 o  210.939   11.463  5393.57  568.822  5942.80  804.346  4844.10  804.527  219.042   15.654  196.495   17.523 22.54601 23.49684 
1 1 1   12    1   19 o   68.117   3.8265  551.083   61.299  587.300   86.711  514.900   86.670   70.147   5.2734   65.600   5.6502 4.547180 7.728714 
1 1 1   12    1   20 o   86.242   4.8506  885.119   98.381  981.400  139.045  788.600  139.217   90.545   6.5473   80.956   7.3630 9.588936 9.852991 
1 1 1   12    1   21 o  126.914   7.1124  1928.46  212.292  2250.80  300.059  1605.40  300.394  136.472   9.3678  114.537   11.252 21.93480 14.64108 
1 1 1   12    1   22 o  146.570   11.448  2630.70  393.080  2630.70  393.080   0.0000   0.0000  146.570   11.448  ?   ?  0.000000 11.44813 
1 1 1   12    1   23 f  216.150   17.570  6003.00  889.010  6003.00  889.010   0.0000   0.0000  216.150   17.570  ?   ?  0.000000 17.56971 
1 1 1   12    1   24 o  221.086   18.318  6403.40  947.725  6403.40  947.725   0.0000   0.0000  221.086   18.318  ?   ?  0.000000 18.31846 
1 1 1   12    1   25 o  166.584   13.399  3511.90  522.614  3511.90  522.614   0.0000   0.0000  166.584   13.399  ?   ?  0.000000 13.39908 
1 1 1   12    1   26 o   35.858   3.3778  153.900   28.264  153.900   28.264   0.0000   0.0000   35.858   3.3778  ?   ?  0.000000 3.377807 
1 1 1   12    1   27 o   94.366   7.5254  1088.90  166.296  1088.90  166.296   0.0000   0.0000   94.366   7.5254  ?   ?  0.000000 7.525404 
1 1 1   12    1   28 o   91.613   7.3517  1030.50  157.700  1030.50  157.700   0.0000   0.0000   91.613   7.3517  ?   ?  0.000000 7.351653 
1 1 1   12    1   29 o   53.627   4.5445  347.100   57.007  347.100   57.007   0.0000   0.0000   53.627   4.5445  ?   ?  0.000000 4.544504 
1 1 1   12    1   30 o  110.414   9.0554  1549.10  234.021  1549.10  234.021   0.0000   0.0000  110.414   9.0554  ?   ?  0.000000 9.055434 
1 1 1   12    1   31 o   75.921   6.2316  711.200  110.733  711.200  110.733   0.0000   0.0000   75.921   6.2316  ?   ?  0.000000 6.231587 
1 1 1   12    1   32 o   18.826   2.5522   42.900   11.053   42.900   11.053   0.0000   0.0000   18.826   2.5522  ?   ?  0.000000 2.552180 
1 1 1   12    1   33 o   44.641   3.9685  241.600   41.397  241.600   41.397   0.0000   0.0000   44.641   3.9685  ?   ?  0.000000 3.968467 
1 1 1   12    1   34 o   10.095   2.3212   12.600   5.4174   12.600   5.4174   0.0000   0.0000   10.095   2.3212  ?   ?  0.000000 2.321172 
1 1 1   12    1   35 o   14.056   2.4354   24.200   7.7906   24.200   7.7906   0.0000   0.0000   14.056   2.4354  ?   ?  0.000000 2.435380 
1 1 1   12    1   36 o   47.621   4.2167  278.100   46.927  278.100   46.927   0.0000   0.0000   47.621   4.2167  ?   ?  0.000000 4.216742 
1 1 1   12    1   37 o   27.939   2.9696   94.900   19.291   94.900   19.291   0.0000   0.0000   27.939   2.9696  ?   ?  0.000000 2.969647 
1 1 1   12    1   38 o   12.360   2.3833   18.900   6.7042   18.900   6.7042   0.0000   0.0000   12.360   2.3833  ?   ?  0.000000 2.383336 
1 1 1   12    1   39 o   23.724   2.8045   68.900   15.407   68.900   15.407   0.0000   0.0000   23.724   2.8045  ?   ?  0.000000 2.804472 
1 1 1   12    1   40 o   46.275   4.2285  270.200   45.695  270.200   45.695   0.0000   0.0000   46.275   4.2285  ?   ?  0.000000 4.228485 
1 1 1   12    1   41 o   10.104   2.4120   12.800   5.6751   12.800   5.6751   0.0000   0.0000   10.104   2.4120  ?   ?  0.000000 2.411997 
1 1 1   12    1   42 o   24.757   2.8477   75.600   16.345   75.600   16.345   0.0000   0.0000   24.757   2.8477  ?   ?  0.000000 2.847667 
1 1 1   12    1   43 o   20.920   2.7099   54.100   13.072   54.100   13.072   0.0000   0.0000   20.920   2.7099  ?   ?  0.000000 2.709906 
1 1 1   12    1   44 o   38.988   3.7686  193.000   34.263  193.000   34.263   0.0000   0.0000   38.988   3.7686  ?   ?  0.000000 3.768632 
1 1 1   12    1   45 o   8.9564   2.4686   10.100   5.3887   10.100   5.3887   0.0000   0.0000   8.9564   2.4686  ?   ?  0.000000 2.468603 
1 1 1   12    1   46 o   23.486   2.8672   69.400   15.571   69.400   15.571   0.0000   0.0000   23.486   2.8672  ?   ?  0.000000 2.867202 
1 1 1   12    1   47 f   21.491   2.7938   58.500   13.843   58.500   13.843   0.0000   0.0000   21.491   2.7938  ?   ?  0.000000 2.793775 
1 1 1   12    1   48 o   19.672   2.7853   49.400   12.577   49.400   12.577   0.0000   0.0000   19.672   2.7853  ?   ?  0.000000 2.785343 
1 1 1   12    1   49 f   26.776   3.0983   92.700   19.228   92.700   19.228   0.0000   0.0000   26.776   3.0983  ?   ?  0.000000 3.098253 
1 1 1   12    1   50 o   12.526   2.6902   20.500   7.7195   20.500   7.7195   0.0000   0.0000   12.526   2.6902  ?   ?  0.000000 2.690207 
1 1 1   12    1   51 o   5.3284   2.0724   2.4000   3.7454   2.4000   3.7454   0.0000   0.0000   5.3284   2.0724  ?   ?  0.000000 2.072404 
1 1 1   12    1   52 o   17.511   2.7681   41.400   11.066   41.400   11.066   0.0000   0.0000   17.511   2.7681  ?   ?  0.000000 2.768117 
1 1 1   12    1   53 o   16.454   2.8893   38.200   10.817   38.200   10.817   0.0000   0.0000   16.454   2.8893  ?   ?  0.000000 2.889266 
1 1 1   12    1   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    1   56 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2    0 o   34.719   3.3792  146.400   27.102  146.400   27.102  146.400   27.102   34.719   3.3792   34.719   3.3792 0.000000 0.000000 
1 1 1   12    2    1 o  123.026   6.6121  1799.39  191.383  1770.70  270.610  1828.10  270.703  121.594   9.5002  123.589   9.3449 -1.994789 13.32593 
1 1 1   12    2    2 o  153.905   8.2370  2822.36  298.268  2996.80  421.801  2647.90  421.829  157.963   11.384  148.253   12.156 9.709702 16.65487 
1 1 1   12    2    3 o  230.662   12.286  6390.13  666.771  6257.60  942.713  6522.80  943.201  226.166   17.796  231.105   17.411 -4.938858 24.89661 
1 1 1   12    2    4 o  353.581   19.014 15328.26  1581.72 17053.80  2237.21 13603.70  2236.58  367.252   25.965  324.751   29.487 42.50153 39.28958 
1 1 1   12    2    5 o  313.186   16.909 11952.71  1245.84 12960.90  1761.92 10944.60  1761.85  321.716   23.352  293.788   25.654 27.92865 34.69036 
1 1 1   12    2    6 o  210.642   11.264  5324.55  558.220  5530.10  789.435  5119.00  789.450  213.043   15.805  204.656   16.475 8.387192 22.83053 
1 1 1   12    2    7 o  142.565   7.5714  2421.90  253.974  2566.00  359.302  2278.00  359.045  146.157   10.480  137.508   11.154 8.649673 15.30488 
1 1 1   12    2    8 f  275.242   14.468  9190.73  937.037 10522.70  1325.53  7860.20  1324.81  291.544   19.364  249.620   22.725 41.92390 29.85596 
1 1 1   12    2    9 o  152.308   8.1051  2769.09  290.454  3015.60  410.816  2522.70  410.713  158.237   11.064  144.356   12.162 13.88071 16.44173 
1 1 1   12    2   10 o  104.149   5.6740  1289.87  139.018  1318.90  196.531  1260.80  196.670  104.956   7.9898  102.569   8.1884 2.387436 11.44053 
1 1 1   12    2   11 o  211.061   11.794  5375.15  585.471  5862.00  827.054  4886.10  828.911  218.431   16.149  198.444   17.881 19.98720 24.09421 
1 1 1   12    2   12 o  103.961   5.6214  1285.52  137.487  1462.60  194.452  1108.50  194.421  110.611   7.4889   96.003   8.6697 14.60796 11.45635 
1 1 1   12    2   13 o  164.206   8.8890  3230.82  343.388  3548.30  485.533  2913.10  485.715  171.068   12.098  154.431   13.454 16.63672 18.09296 
1 1 1   12    2   14 o  186.824   10.152  4199.99  446.203  4487.90  630.822  3911.70  631.232  191.526   14.046  178.236   15.141 13.28943 20.65311 
1 1 1   12    2   15 o  109.257   5.9688  1421.85  153.410  1506.80  216.891  1336.80  217.017  112.045   8.2558  105.379   8.8018 6.665779 12.06768 
1 1 1   12    2   16 o  123.628   6.6393  1823.26  193.112  2060.10  273.126  1586.50  273.077  130.921   8.8873  114.473   10.210 16.44833 13.53583 
1 1 1   12    2   17 o  259.628   14.317  8269.05  874.321  8756.70  1236.03  7780.70  1236.92  262.521   20.092  246.141   21.497 16.37993 29.42417 
1 1 1   12    2   18 o  195.473   10.608  4616.37  487.801  4780.70  689.596  4451.80  690.114  196.760   14.954  189.495   15.560 7.265518 21.58104 
1 1 1   12    2   19 o  103.469   5.6302  1275.40  137.044  1395.50  193.809  1155.30  193.809  107.850   7.6600   97.898   8.4671 9.951500 11.41784 
1 1 1   12    2   20 o  212.524   11.994  5506.37  599.472  6116.40  847.008  4894.10  848.559  221.106   16.338  196.085   18.547 25.02138 24.71682 
1 1 1   12    2   21 o   54.967   3.2123  358.750   41.513  359.000   58.696  358.500   58.722   54.829   4.5753   54.789   4.5808 0.3935242E-01 6.474382 
1 1 1   12    2   22 o   5.0928   1.3632   3.1690   1.6718   4.8000   2.5874   2.0000   2.1904   6.2725   1.7030   4.5016   1.6177 1.770886 2.348850 
1 1 1   12    2   23 o  123.900   9.6834  1869.00  281.057  1869.00  281.057   0.0000   0.0000  123.900   9.6834  ?   ?  0.000000 9.683376 
1 1 1   12    2   24 o   65.573   5.3332  515.500   81.865  515.500   81.865   0.0000   0.0000   65.573   5.3332  ?   ?  0.000000 5.333241 
1 1 1   12    2   25 o   50.373   4.2952  303.800   50.602  303.800   50.602   0.0000   0.0000   50.373   4.2952  ?   ?  0.000000 4.295177 
1 1 1   12    2   26 o   18.846   2.5280   42.800   10.967   42.800   10.967   0.0000   0.0000   18.846   2.5280  ?   ?  0.000000 2.528025 
1 1 1   12    2   27 o   44.107   3.8920  233.300   40.120  233.300   40.120   0.0000   0.0000   44.107   3.8920  ?   ?  0.000000 3.891959 
1 1 1   12    2   28 o  118.779   9.5986  1772.50  266.922  1772.50  266.922   0.0000   0.0000  118.779   9.5986  ?   ?  0.000000 9.598648 
1 1 1   12    2   29 o  109.835   8.9190  1517.10  229.324  1517.10  229.324   0.0000   0.0000  109.835   8.9190  ?   ?  0.000000 8.918956 
1 1 1   12    2   30 f   56.393   4.7556  385.400   62.737  385.400   62.737   0.0000   0.0000   56.393   4.7556  ?   ?  0.000000 4.755613 
1 1 1   12    2   31 o   42.632   3.8210  219.400   38.057  219.400   38.057   0.0000   0.0000   42.632   3.8210  ?   ?  0.000000 3.821010 
1 1 1   12    2   32 o   8.7337   2.2401   9.4000   4.6423   9.4000   4.6423   0.0000   0.0000   8.7337   2.2401  ?   ?  0.000000 2.240131 
1 1 1   12    2   33 o   25.784   2.8397   80.200   17.003   80.200   17.003   0.0000   0.0000   25.784   2.8397  ?   ?  0.000000 2.839707 
1 1 1   12    2   34 o   68.247   5.7021  577.600   91.052  577.600   91.052   0.0000   0.0000   68.247   5.7021  ?   ?  0.000000 5.702126 
1 1 1   12    2   35 o   32.754   3.2303  129.900   24.659  129.900   24.659   0.0000   0.0000   32.754   3.2303  ?   ?  0.000000 3.230269 
1 1 1   12    2   36 o   10.550   2.4136   13.800   5.8823   13.800   5.8823   0.0000   0.0000   10.550   2.4136  ?   ?  0.000000 2.413617 
1 1 1   12    2   37 o   38.544   3.6107  181.800   32.480  181.800   32.480   0.0000   0.0000   38.544   3.6107  ?   ?  0.000000 3.610672 
1 1 1   12    2   38 o   5.3791   1.9349   2.9000   3.1345   2.9000   3.1345   0.0000   0.0000   5.3791   1.9349  ?   ?  0.000000 1.934904 
1 1 1   12    2   39 o   30.510   3.1537  114.300   22.393  114.300   22.393   0.0000   0.0000   30.510   3.1537  ?   ?  0.000000 3.153681 
1 1 1   12    2   40 o   11.252   2.3928   15.800   6.1620   15.800   6.1620   0.0000   0.0000   11.252   2.3928  ?   ?  0.000000 2.392836 
1 1 1   12    2   41 o   28.930   3.0833  103.400   20.739  103.400   20.739   0.0000   0.0000   28.930   3.0833  ?   ?  0.000000 3.083331 
1 1 1   12    2   42 o   25.456   2.8962   80.000   17.100   80.000   17.100   0.0000   0.0000   25.456   2.8962  ?   ?  0.000000 2.896174 
1 1 1   12    2   43 o   19.909   2.6650   49.000   12.214   49.000   12.214   0.0000   0.0000   19.909   2.6650  ?   ?  0.000000 2.665028 
1 1 1   12    2   44 o   26.941   2.9904   90.300   18.703   90.300   18.703   0.0000   0.0000   26.941   2.9904  ?   ?  0.000000 2.990365 
1 1 1   12    2   45 o   49.319   4.6707  323.900   53.747  323.900   53.747   0.0000   0.0000   49.319   4.6707  ?   ?  0.000000 4.670713 
1 1 1   12    2   46 o   20.513   2.7141   52.800   12.824   52.800   12.824   0.0000   0.0000   20.513   2.7141  ?   ?  0.000000 2.714095 
1 1 1   12    2   47 o   43.053   4.3103  250.900   43.231  250.900   43.231   0.0000   0.0000   43.053   4.3103  ?   ?  0.000000 4.310271 
1 1 1   12    2   48 o   26.643   3.0934   91.400   19.099   91.400   19.099   0.0000   0.0000   26.643   3.0934  ?   ?  0.000000 3.093355 
1 1 1   12    2   49 o   17.412   2.6485   38.700   10.546   38.700   10.546   0.0000   0.0000   17.412   2.6485  ?   ?  0.000000 2.648458 
1 1 1   12    2   50 o   15.225   2.6199   29.900   9.0797   29.900   9.0797   0.0000   0.0000   15.225   2.6199  ?   ?  0.000000 2.619944 
1 1 1   12    2   51 o   17.344   2.7074   39.400   10.726   39.400   10.726   0.0000   0.0000   17.344   2.7074  ?   ?  0.000000 2.707359 
1 1 1   12    2   52 o   3.8489   1.7312  -1.3000   3.2958  -1.3000   3.2958   0.0000   0.0000   3.8489   1.7312  ?   ?  0.000000 1.731214 
1 1 1   12    2   53 o   9.7953   2.7311   13.600   6.5543   13.600   6.5543   0.0000   0.0000   9.7953   2.7311  ?   ?  0.000000 2.731051 
1 1 1   12    2   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3    0 o  167.968   13.010  3416.60  508.883  3416.60  508.883  3416.60  508.883  167.968   13.010  167.968   13.010 0.000000 0.000000 
1 1 1   12    3    1 o  293.382   15.688 10427.53  1082.87  9803.90  1531.14 11051.60  1531.68  280.166   23.357  298.538   21.880 -18.37146 32.00413 
1 1 1   12    3    2 o  213.554   11.404  5466.85  573.012  5485.70  810.387  5448.00  810.336  212.279   16.291  211.520   16.351 0.7587891 23.08130 
1 1 1   12    3    3 o  151.782   8.0985  2745.22  289.213  2660.20  408.938  2830.30  409.079  148.653   11.746  153.449   11.371 -4.796692 16.34773 
1 1 1   12    3    4 o   30.991   2.1427  113.994   15.584  107.000   22.030  121.000   22.049   29.922   3.1659   31.861   2.9647 -1.939392 4.337306 
1 1 1   12    3    5 o  159.823   8.4765  3047.00  318.758  3246.90  450.903  2847.30  450.681  164.255   11.702  153.541   12.540 10.71364 17.15163 
1 1 1   12    3    6 o  107.701   5.7698  1378.43  146.204  1482.30  206.830  1274.70  206.698  111.390   7.9148  103.144   8.5639 8.245697 11.66129 
1 1 1   12    3    7 o  159.868   8.5569  3051.45  321.859  2998.40  455.180  3104.50  455.174  157.529   12.335  160.374   12.109 -2.844727 17.28505 
1 1 1   12    3    8 o  223.472   11.902  6013.43  625.778  6555.60  885.085  5471.50  884.884  231.423   16.300  210.518   17.973 20.90584 24.26370 
1 1 1   12    3    9 o  185.156   9.9070  4109.40  431.584  4094.10  610.253  4124.70  610.451  183.370   14.204  184.079   14.152 -0.7085571 20.05114 
1 1 1   12    3   10 o  173.116   9.3669  3589.59  381.483  3845.40  539.347  3333.50  539.651  178.077   12.914  165.369   13.950 12.70795 19.00973 
1 1 1   12    3   11 o  230.919   12.503  6449.10  679.241  6596.80  960.104  6301.10  961.080  230.817   17.751  225.277   18.223 5.539139 25.43977 
1 1 1   12    3   12 o   78.244   4.3687  727.074   80.395  794.800  113.676  659.300  113.715   81.626   5.9383   74.212   6.5565 7.414131 8.845961 
1 1 1   12    3   13 o  112.735   6.1281  1513.58  162.521  1552.70  229.749  1474.40  229.929  113.715   8.6202  110.739   8.8672 2.975418 12.36671 
1 1 1   12    3   14 o   51.183   3.0501  310.862   36.697  337.200   51.886  284.500   51.909   53.206   4.1630   48.797   4.5577 4.409924 6.172789 
1 1 1   12    3   15 o   93.117   5.1711  1031.43  113.256  1130.90  160.104  931.800  160.231   97.225   7.0209   88.061   7.7857 9.163727 10.48384 
1 1 1   12    3   16 o  255.006   14.022  7958.23  841.102  8727.90  1189.25  7187.90  1189.75  263.049   19.280  236.763   21.515 26.28613 28.88990 
1 1 1   12    3   17 o   93.460   5.1193  1039.15  112.549  1041.00  159.084  1037.30  159.252   93.184   7.2878   93.012   7.3096 0.1713028 10.32194 
1 1 1   12    3   18 o  177.031   9.6064  3773.07  400.077  4114.40  565.693  3431.50  565.897  183.374   13.151  166.744   14.517 16.63075 19.58847 
1 1 1   12    3   19 o  154.225   8.3802  2854.40  304.045  3048.60  429.870  2660.00  430.100  158.259   11.583  147.420   12.472 10.83932 17.02144 
1 1 1   12    3   20 o  241.022   13.788  7150.23  781.473  8595.40  1104.61  5702.10  1105.73  260.619   18.060  207.865   22.908 52.75397 29.17075 
1 1 1   12    3   21 o   55.636   3.2443  367.549   42.438  366.200   60.006  368.900   60.027   55.371   4.6319   55.578   4.6156 -0.2074928 6.539003 
1 1 1   12    3   22 o   80.989   4.4723  780.583   85.199  844.000  120.506  717.200  120.473   83.944   6.1215   77.238   6.6708 6.706108 9.053878 
1 1 1   12    3   23 o   84.550   4.6672  851.644   92.821  827.400  131.253  875.900  131.285   82.926   6.7616   85.383   6.5617 -2.456490 9.422113 
1 1 1   12    3   24 o  104.604   8.2211  1327.40  201.432  1327.40  201.432   0.0000   0.0000  104.604   8.2211  ?   ?  0.000000 8.221148 
1 1 1   12    3   25 o   65.862   5.3691  521.100   82.775  521.100   82.775   0.0000   0.0000   65.862   5.3691  ?   ?  0.000000 5.369057 
1 1 1   12    3   26 o   33.053   3.2130  130.800   24.761  130.800   24.761   0.0000   0.0000   33.053   3.2130  ?   ?  0.000000 3.212973 
1 1 1   12    3   27 o   89.529   7.1609  978.300  150.121  978.300  150.121   0.0000   0.0000   89.529   7.1609  ?   ?  0.000000 7.160893 
1 1 1   12    3   28 o   57.392   4.7973  397.300   64.419  397.300   64.419   0.0000   0.0000   57.392   4.7973  ?   ?  0.000000 4.797332 
1 1 1   12    3   29 o  110.706   9.0017  1543.80  233.281  1543.80  233.281   0.0000   0.0000  110.706   9.0017  ?   ?  0.000000 9.001727 
1 1 1   12    3   30 o   32.062   3.1672  123.600   23.665  123.600   23.665   0.0000   0.0000   32.062   3.1672  ?   ?  0.000000 3.167220 
1 1 1   12    3   31 o   87.605   7.1865  958.900  147.356  958.900  147.356   0.0000   0.0000   87.605   7.1865  ?   ?  0.000000 7.186490 
1 1 1   12    3   32 o   92.167   7.6126  1073.60  164.198  1073.60  164.198   0.0000   0.0000   92.167   7.6126  ?   ?  0.000000 7.612577 
1 1 1   12    3   33 o   95.071   7.9319  1156.10  176.443  1156.10  176.443   0.0000   0.0000   95.071   7.9319  ?   ?  0.000000 7.931921 
1 1 1   12    3   34 o   43.596   3.9094  230.800   39.818  230.800   39.818   0.0000   0.0000   43.596   3.9094  ?   ?  0.000000 3.909389 
1 1 1   12    3   35 o   36.343   3.4533  160.200   29.280  160.200   29.280   0.0000   0.0000   36.343   3.4533  ?   ?  0.000000 3.453300 
1 1 1   12    3   36 o   7.7558   2.2639   7.3000   4.4039   7.3000   4.4039   0.0000   0.0000   7.7558   2.2639  ?   ?  0.000000 2.263859 
1 1 1   12    3   37 o   52.264   4.5879  339.600   56.048  339.600   56.048   0.0000   0.0000   52.264   4.5879  ?   ?  0.000000 4.587861 
1 1 1   12    3   38 o   67.922   5.9379  598.700   94.280  598.700   94.280   0.0000   0.0000   67.922   5.9379  ?   ?  0.000000 5.937913 
1 1 1   12    3   39 o   57.142   5.0732  418.200   67.742  418.200   67.742   0.0000   0.0000   57.142   5.0732  ?   ?  0.000000 5.073161 
1 1 1   12    3   40 o   12.256   2.4237   18.700   6.7655   18.700   6.7655   0.0000   0.0000   12.256   2.4237  ?   ?  0.000000 2.423651 
1 1 1   12    3   41 o   17.102   2.5526   36.100   9.9928   36.100   9.9928   0.0000   0.0000   17.102   2.5526  ?   ?  0.000000 2.552583 
1 1 1   12    3   42 o   25.859   2.9223   82.600   17.531   82.600   17.531   0.0000   0.0000   25.859   2.9223  ?   ?  0.000000 2.922338 
1 1 1   12    3   43 o   12.347   2.4842   19.100   6.9920   19.100   6.9920   0.0000   0.0000   12.347   2.4842  ?   ?  0.000000 2.484164 
1 1 1   12    3   44 o   30.649   3.2122  117.500   22.902  117.500   22.902   0.0000   0.0000   30.649   3.2122  ?   ?  0.000000 3.212194 
1 1 1   12    3   45 o   30.255   3.1947  115.300   22.479  115.300   22.479   0.0000   0.0000   30.255   3.1947  ?   ?  0.000000 3.194746 
1 1 1   12    3   46 f   49.869   4.8260  339.600   56.120  339.600   56.120   0.0000   0.0000   49.869   4.8260  ?   ?  0.000000 4.826049 
1 1 1   12    3   47 o   10.922   2.5145   15.300   6.3509   15.300   6.3509   0.0000   0.0000   10.922   2.5145  ?   ?  0.000000 2.514533 
1 1 1   12    3   48 o   25.439   2.9960   83.000   17.652   83.000   17.652   0.0000   0.0000   25.439   2.9960  ?   ?  0.000000 2.995955 
1 1 1   12    3   49 o   6.7295   2.3925   5.0000   4.7790   5.0000   4.7790   0.0000   0.0000   6.7295   2.3925  ?   ?  0.000000 2.392478 
1 1 1   12    3   50 o   19.656   2.7870   49.900   12.573   49.900   12.573   0.0000   0.0000   19.656   2.7870  ?   ?  0.000000 2.787027 
1 1 1   12    3   51 o   4.1104   1.7482   0.2000   2.9680   0.2000   2.9680   0.0000   0.0000   4.1104   1.7482  ?   ?  0.000000 1.748161 
1 1 1   12    3   52 o   3.4995   1.5015   0.0000   2.2248   0.0000   2.2248   0.0000   0.0000   3.4995   1.5015  ?   ?  0.000000 1.501525 
1 1 1   12    3   53 o   10.005   3.1463   14.800   8.2882   14.800   8.2882   0.0000   0.0000   10.005   3.1463  ?   ?  0.000000 3.146287 
1 1 1   12    3   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    4    0 o   57.199   4.8243  394.900   64.095  394.900   64.095  394.900   64.095   57.199   4.8243   57.199   4.8243 -0.000000 0.000000 
1 1 1   12    4    1 o  115.600   6.1785  1588.18  168.045  1707.90  237.721  1468.60  237.583  119.557   8.4753  110.701   9.1713 8.855530 12.48773 
1 1 1   12    4    2 o  247.013   13.193  7348.48  766.741  7547.40  1084.54  7149.70  1084.13  247.942   18.661  241.014   19.209 6.928757 26.78059 
1 1 1   12    4    3 o  136.236   7.3085  2209.50  234.258  2211.30  331.338  2207.70  331.244  135.721   10.418  135.609   10.424 0.1125641 14.73762 
1 1 1   12    4    4 o  267.544   14.374  8657.30  904.801  8533.20  1279.58  8781.40  1279.58  262.227   20.836  266.229   20.512 -4.002869 29.23870 
1 1 1   12    4    5 o  124.076   6.4384  1830.66  187.990  1580.60  265.702  2081.30  266.014  114.681   9.9090  131.972   8.5828 -17.29137 13.10925 
1 1 1   12    4    6 o  255.698   13.737  7905.02  826.377  7931.90  1169.34  7878.20  1168.01  253.028   19.727  252.135   19.776 0.8933563 27.93297 
1 1 1   12    4    7 o  224.367   11.956  6060.31  631.163  6203.60  893.176  5917.40  892.025  224.861   16.946  219.383   17.361 5.478577 24.26038 
1 1 1   12    4    8 o   76.089   4.2324  687.197   75.746  671.300  107.111  703.100  107.130   74.986   6.1021   76.772   5.9561 -1.786407 8.527007 
1 1 1   12    4    9 o  134.562   7.1863  2158.14  227.518  2295.60  321.827  2020.80  321.690  138.217   9.9266  129.470   10.616 8.746445 14.53366 
1 1 1   12    4   10 o  203.943   10.852  5001.81  520.751  5526.10  736.591  4477.90  736.317  212.792   14.750  190.650   16.519 22.14157 22.14583 
1 1 1   12    4   11 o   95.794   5.2259  1090.79  117.765  1130.30  166.559  1051.30  166.532   97.212   7.3093   93.685   7.5931 3.527267 10.53946 
1 1 1   12    4   12 o   85.054   4.6315  859.338   92.670  923.200  131.120  795.600  130.992   87.940   6.3571   81.522   6.8687 6.417778 9.358994 
1 1 1   12    4   13 o  135.935   7.1179  2204.72  227.682  2405.90  322.219  2004.10  321.765  141.400   9.7091  128.731   10.682 12.66852 14.43477 
1 1 1   12    4   14 o  351.577   19.636 15539.95  1623.65 16816.90  2296.09 14262.80  2296.27  355.559   27.563  323.452   30.422 32.10657 41.05108 
1 1 1   12    4   15 o   78.101   4.3654  724.724   80.187  806.600  113.385  642.800  113.419   82.210   5.8796   73.224   6.6315 8.986526 8.862606 
1 1 1   12    4   16 o   43.877   2.7005  228.446   27.844  264.900   39.379  192.000   39.375   47.182   3.5607   40.043   4.2281 7.138622 5.527678 
1 1 1   12    4   17 o   79.058   4.4327  742.842   82.418  820.100  116.525  665.500  116.588   82.865   5.9955   74.486   6.7003 8.379494 8.991122 
1 1 1   12    4   18 o  160.880   8.7007  3107.22  329.307  3367.20  465.648  2847.10  465.772  166.308   11.937  152.396   13.070 13.91252 17.70014 
1 1 1   12    4   19 o   94.124   5.1807  1054.63  114.704  1104.80  162.170  1004.40  162.262   95.984   7.2076   91.416   7.5853 4.568031 10.46356 
1 1 1   12    4   20 o  185.913   10.376  4185.63  453.711  4456.90  640.728  3912.80  642.563  189.700   14.411  177.019   15.529 12.68080 21.18574 
1 1 1   12    4   21 o   62.855   3.5697  469.278   52.764  452.200   74.572  486.400   74.668   61.488   5.1843   63.815   4.9949 -2.326878 7.199027 
1 1 1   12    4   22 o  164.794   8.9659  3280.03  347.582  3368.10  491.332  3191.80  491.779  165.166   12.695  160.544   13.086 4.622070 18.23196 
1 1 1   12    4   23 o  123.349   6.6879  1824.19  194.072  1806.20  274.387  1842.20  274.530  121.755   9.6221  123.006   9.5258 -1.251297 13.53976 
1 1 1   12    4   24 o   57.745   3.2677  396.329   44.375  436.600   62.811  356.200   62.701   60.456   4.4306   54.492   4.9260 5.963970 6.625416 
1 1 1   12    4   25 o   93.353   5.1839  1042.86  113.825  1133.40  160.919  952.200  161.027   96.786   7.0903   88.442   7.7899 8.343178 10.53356 
1 1 1   12    4   26 o   88.840   7.0802  959.100  147.297  959.100  147.297   0.0000   0.0000   88.840   7.0802  ?   ?  0.000000 7.080186 
1 1 1   12    4   27 o   63.690   5.2411  489.400   78.124  489.400   78.124   0.0000   0.0000   63.690   5.2411  ?   ?  0.000000 5.241077 
1 1 1   12    4   28 o   65.687   5.3956  522.500   82.951  522.500   82.951   0.0000   0.0000   65.687   5.3956  ?   ?  0.000000 5.395551 
1 1 1   12    4   29 o   28.031   2.9506   94.400   19.237   94.400   19.237   0.0000   0.0000   28.031   2.9506  ?   ?  0.000000 2.950628 
1 1 1   12    4   30 o   33.993   3.2845  139.000   26.036  139.000   26.036   0.0000   0.0000   33.993   3.2845  ?   ?  0.000000 3.284485 
1 1 1   12    4   31 o   18.652   2.5458   42.100   10.920   42.100   10.920   0.0000   0.0000   18.652   2.5458  ?   ?  0.000000 2.545808 
1 1 1   12    4   32 o  101.602   8.4567  1324.20  201.049  1324.20  201.049   0.0000   0.0000  101.602   8.4567  ?   ?  0.000000 8.456725 
1 1 1   12    4   33 o   82.751   6.8623  860.900  132.882  860.900  132.882   0.0000   0.0000   82.751   6.8623  ?   ?  0.000000 6.862269 
1 1 1   12    4   34 o   19.203   2.5782   44.700   11.395   44.700   11.395   0.0000   0.0000   19.203   2.5782  ?   ?  0.000000 2.578165 
1 1 1   12    4   35 o   51.497   4.4722  325.200   53.843  325.200   53.843   0.0000   0.0000   51.497   4.4722  ?   ?  0.000000 4.472192 
1 1 1   12    4   36 o   35.897   3.4399  156.800   28.801  156.800   28.801   0.0000   0.0000   35.897   3.4399  ?   ?  0.000000 3.439880 
1 1 1   12    4   37 o   12.439   2.3826   19.100   6.7435   19.100   6.7435   0.0000   0.0000   12.439   2.3826  ?   ?  0.000000 2.382608 
1 1 1   12    4   38 o   34.314   3.3663  144.500   26.925  144.500   26.925   0.0000   0.0000   34.314   3.3663  ?   ?  0.000000 3.366277 
1 1 1   12    4   39 o   45.379   4.1426  257.800   43.901  257.800   43.901   0.0000   0.0000   45.379   4.1426  ?   ?  0.000000 4.142636 
1 1 1   12    4   40 o   51.348   4.6343  336.900   55.586  336.900   55.586   0.0000   0.0000   51.348   4.6343  ?   ?  0.000000 4.634318 
1 1 1   12    4   41 o   58.725   5.3131  453.500   72.879  453.500   72.879   0.0000   0.0000   58.725   5.3131  ?   ?  0.000000 5.313109 
1 1 1   12    4   42 o   23.284   2.7965   66.900   15.068   66.900   15.068   0.0000   0.0000   23.284   2.7965  ?   ?  0.000000 2.796476 
1 1 1   12    4   43 o   12.224   2.4390   18.700   6.7935   18.700   6.7935   0.0000   0.0000   12.224   2.4390  ?   ?  0.000000 2.438954 
1 1 1   12    4   44 o   14.529   2.6486   26.500   8.7520   26.500   8.7520   0.0000   0.0000   14.529   2.6486  ?   ?  0.000000 2.648643 
1 1 1   12    4   45 o   34.957   3.5284  155.700   28.727  155.700   28.727   0.0000   0.0000   34.957   3.5284  ?   ?  0.000000 3.528407 
1 1 1   12    4   46 o   29.809   3.1994  112.900   22.168  112.900   22.168   0.0000   0.0000   29.809   3.1994  ?   ?  0.000000 3.199389 
1 1 1   12    4   47 o   24.420   2.9133   75.800   16.468   75.800   16.468   0.0000   0.0000   24.420   2.9133  ?   ?  0.000000 2.913287 
1 1 1   12    4   48 o   18.212   2.6681   42.200   11.134   42.200   11.134   0.0000   0.0000   18.212   2.6681  ?   ?  0.000000 2.668086 
1 1 1   12    4   49 o   9.2880   2.3777   11.100   5.2371   11.100   5.2371   0.0000   0.0000   9.2880   2.3777  ?   ?  0.000000 2.377703 
1 1 1   12    4   50 o   24.878   2.9877   80.500   17.201   80.500   17.201   0.0000   0.0000   24.878   2.9877  ?   ?  0.000000 2.987742 
1 1 1   12    4   51 o   12.741   2.6446   21.500   7.6958   21.500   7.6958   0.0000   0.0000   12.741   2.6446  ?   ?  0.000000 2.644570 
1 1 1   12    4   52 o   10.802   2.7278   16.100   6.9597   16.100   6.9597   0.0000   0.0000   10.802   2.7278  ?   ?  0.000000 2.727812 
1 1 1   12    4   53 o   9.4953   2.6394   12.700   6.1314   12.700   6.1314   0.0000   0.0000   9.4953   2.6394  ?   ?  0.000000 2.639351 
1 1 1   12    4   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5    0 o   60.046   5.0218  435.100   70.058  435.100   70.058  435.100   70.058   60.046   5.0218   60.046   5.0218 -0.000000 0.000000 
1 1 1   12    5    1 o  258.226   13.853  8049.35  841.626  7998.00  1190.23  8100.70  1190.25  254.432   19.971  256.146   19.833 -1.713867 28.14577 
1 1 1   12    5    2 o  122.387   6.5843  1781.54  189.587  1840.90  268.134  1722.20  268.100  123.987   9.2243  119.838   9.5535 4.149254 13.27997 
1 1 1   12    5    3 o   97.820   5.3276  1136.50  122.598  1123.10  173.378  1149.90  173.381   96.937   7.6361   98.109   7.5417 -1.171463 10.73257 
1 1 1   12    5    4 o  294.125   15.202 10496.31  1052.22 11977.70  1488.94  9018.40  1487.19  310.979   20.389  267.399   23.802 43.58047 31.34059 
1 1 1   12    5    5 o  201.754   10.744  4881.49  510.010  4964.00  721.757  4799.20  720.770  201.892   15.252  198.392   15.509 3.499985 21.75187 
1 1 1   12    5    6 o  144.403   7.5632  2485.09  256.998  2645.60  363.855  2325.30  363.048  148.392   10.450  138.900   11.163 9.492416 15.29141 
1 1 1   12    5    7 o   56.483   3.2300  378.387   42.902  398.700   60.767  358.200   60.578   57.867   4.4820   54.804   4.7273 3.063713 6.514239 
1 1 1   12    5    8 o   76.337   4.0873  691.438   73.409  799.800  103.894  583.400  103.739   81.977   5.3972   69.830   6.3610 12.14732 8.342240 
1 1 1   12    5    9 f  103.426   5.4642  1271.42  132.976  1412.70  188.173  1130.50  187.939  108.752   7.3711   97.071   8.2782 11.68081 11.08428 
1 1 1   12    5   10 o  134.926   7.0270  2169.70  223.112  2421.80  315.717  1918.20  315.339  142.048   9.4666  126.048   10.695 15.99989 14.28317 
1 1 1   12    5   11 o   76.085   4.3928  687.637   78.587  840.300  111.053  534.500  111.225   83.987   5.6322   66.662   7.1791 17.32494 9.124717 
1 1 1   12    5   12 o   98.745   5.3045  1159.40  123.232  1242.20  174.380  1076.80  174.174  101.909   7.2946   94.743   7.8561 7.166283 10.72057 
1 1 1   12    5   13 o  149.746   7.8332  2680.13  276.022  2979.30  390.563  2381.60  390.145  157.137   10.587  140.001   11.915 17.13548 15.93905 
1 1 1   12    5   14 o  274.097   13.826  9169.61  892.006 10833.10  1262.59  7511.90  1260.39  294.490   18.246  241.755   22.331 52.73485 28.83718 
1 1 1   12    5   15 o   17.977   1.6027   38.475   6.7320   49.100   9.5546   28.000   9.4867   20.285   2.0216   15.156   2.7521 5.129170 3.414821 
1 1 1   12    5   16 o   75.464   4.2266  676.567   75.015  691.500  106.027  661.600  106.147   76.067   5.9502   74.371   6.0979 1.695595 8.519921 
1 1 1   12    5   17 o   49.215   2.9307  287.433   33.905  271.800   47.923  303.100   47.975   47.709   4.3001   50.430   4.0631 -2.721710 5.916025 
1 1 1   12    5   18 o  211.868   11.425  5443.98  569.465  5891.70  805.404  4996.40  805.287  217.882   15.761  199.601   17.255 18.28137 23.36952 
1 1 1   12    5   19 o  230.456   12.870  6495.24  697.589  6908.10  985.302  6080.30  987.783  233.926   17.975  218.266   19.366 15.65976 26.42243 
1 1 1   12    5   20 o  125.664   6.9273  1889.03  204.764  1971.80  289.092  1805.70  290.070  127.625   9.6643  121.939   10.167 5.685822 14.02702 
1 1 1   12    5   21 o   75.272   4.3255  674.019   76.561  745.200  108.146  602.500  108.403   78.926   5.8441   70.794   6.5591 8.132774 8.784993 
1 1 1   12    5   22 o  159.026   8.6273  3051.09  322.758  3187.20  456.382  2914.90  456.514  160.911   12.100  153.527   12.707 7.384705 17.54590 
1 1 1   12    5   23 o   59.656   3.4082  422.965   47.812  385.800   67.584  460.200   67.648   56.725   5.1001   62.066   4.6495 -5.341377 6.901348 
1 1 1   12    5   24 o   52.230   2.8668  323.951   35.222  381.800   49.919  266.600   49.704   56.607   3.7558   47.143   4.5203 9.464329 5.877028 
1 1 1   12    5   25 o  100.732   5.4962  1216.11  130.241  1281.20  184.246  1151.10  184.131  102.699   7.6524   97.151   8.1002 5.547699 11.14325 
1 1 1   12    5   26 o   21.948   1.7596   57.326   9.0431   62.800   12.877   52.000   12.702   22.904   2.4175   20.785   2.6481 2.119244 3.585624 
1 1 1   12    5   27 o   67.317   3.8222  541.235   60.507  590.600   85.583  491.900   85.558   69.995   5.2154   63.698   5.7501 6.296890 7.762988 
1 1 1   12    5   28 o   27.529   2.9310   91.000   18.760   91.000   18.760   0.0000   0.0000   27.529   2.9310  ?   ?  0.000000 2.931010 
1 1 1   12    5   29 o   84.457   6.8482  878.300  135.400  878.300  135.400   0.0000   0.0000   84.457   6.8482  ?   ?  0.000000 6.848191 
1 1 1   12    5   30 o   83.834   6.8455  870.700  134.332  870.700  134.332   0.0000   0.0000   83.834   6.8455  ?   ?  0.000000 6.845485 
1 1 1   12    5   31 o   16.837   2.4896   34.400   9.5998   34.400   9.5998   0.0000   0.0000   16.837   2.4896  ?   ?  0.000000 2.489594 
1 1 1   12    5   32 f   60.011   5.0493  440.500   70.887  440.500   70.887   0.0000   0.0000   60.011   5.0493  ?   ?  0.000000 5.049283 
1 1 1   12    5   33 f   39.662   3.6517  190.400   33.817  190.400   33.817   0.0000   0.0000   39.662   3.6517  ?   ?  0.000000 3.651740 
1 1 1   12    5   34 o   63.082   5.3151  491.500   78.436  491.500   78.436   0.0000   0.0000   63.082   5.3151  ?   ?  0.000000 5.315126 
1 1 1   12    5   35 o   76.944   6.5006  750.700  117.006  750.700  117.006   0.0000   0.0000   76.944   6.5006  ?   ?  0.000000 6.500642 
1 1 1   12    5   36 f   29.072   3.0466  102.600   20.603  102.600   20.603   0.0000   0.0000   29.072   3.0466  ?   ?  0.000000 3.046560 
1 1 1   12    5   37 o   21.040   2.6485   53.900   12.867   53.900   12.867   0.0000   0.0000   21.040   2.6485  ?   ?  0.000000 2.648502 
1 1 1   12    5   38 o   50.662   4.5150  322.200   53.448  322.200   53.448   0.0000   0.0000   50.662   4.5150  ?   ?  0.000000 4.515040 
1 1 1   12    5   39 o   34.414   3.3873  146.100   27.170  146.100   27.170   0.0000   0.0000   34.414   3.3873  ?   ?  0.000000 3.387309 
1 1 1   12    5   40 o   14.093   2.4559   24.600   7.8756   24.600   7.8756   0.0000   0.0000   14.093   2.4559  ?   ?  0.000000 2.455858 
1 1 1   12    5   41 o   44.320   4.1086  248.600   42.509  248.600   42.509   0.0000   0.0000   44.320   4.1086  ?   ?  0.000000 4.108598 
1 1 1   12    5   42 o   16.322   2.5520   33.000   9.5140   33.000   9.5140   0.0000   0.0000   16.322   2.5520  ?   ?  0.000000 2.551991 
1 1 1   12    5   43 o   23.176   2.7855   66.400   14.939   66.400   14.939   0.0000   0.0000   23.176   2.7855  ?   ?  0.000000 2.785518 
1 1 1   12    5   44 o   23.919   2.8344   71.100   15.697   71.100   15.697   0.0000   0.0000   23.919   2.8344  ?   ?  0.000000 2.834356 
1 1 1   12    5   45 o   42.830   4.1280  239.500   41.232  239.500   41.232   0.0000   0.0000   42.830   4.1280  ?   ?  0.000000 4.127992 
1 1 1   12    5   46 o   15.578   2.5878   30.600   9.1849   30.600   9.1849   0.0000   0.0000   15.578   2.5878  ?   ?  0.000000 2.587772 
1 1 1   12    5   47 o   4.0987   1.6589   0.9000   2.4921   0.9000   2.4921   0.0000   0.0000   4.0987   1.6589  ?   ?  0.000000 1.658857 
1 1 1   12    5   48 o   12.343   2.5677   19.600   7.2404   19.600   7.2404   0.0000   0.0000   12.343   2.5677  ?   ?  0.000000 2.567748 
1 1 1   12    5   49 o   37.690   3.8923  192.100   34.142  192.100   34.142   0.0000   0.0000   37.690   3.8923  ?   ?  0.000000 3.892281 
1 1 1   12    5   50 o   15.333   2.6345   30.400   9.1949   30.400   9.1949   0.0000   0.0000   15.333   2.6345  ?   ?  0.000000 2.634513 
1 1 1   12    5   51 o   20.965   2.8178   58.000   13.596   58.000   13.596   0.0000   0.0000   20.965   2.8178  ?   ?  0.000000 2.817778 
1 1 1   12    5   52 o   17.431   2.7120   41.100   10.800   41.100   10.800   0.0000   0.0000   17.431   2.7120  ?   ?  0.000000 2.711974 
1 1 1   12    5   53 o   16.224   3.0538   38.100   11.270   38.100   11.270   0.0000   0.0000   16.224   3.0538  ?   ?  0.000000 3.053836 
1 1 1   12    5   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    6    0 o  116.101   9.0873  1627.40  245.624  1627.40  245.624  1627.40  245.624  116.101   9.0873  116.101   9.0873 0.000000 0.000000 
1 1 1   12    6    1 o   73.493   4.1081  640.851   71.007  642.100  100.395  639.600  100.444   73.381   5.8422   73.235   5.8572 0.1458740 8.272782 
1 1 1   12    6    2 o  230.442   12.333  6390.78  668.701  6489.60  945.781  6292.00  945.590  230.024   17.545  226.336   17.837 3.688217 25.01935 
1 1 1   12    6    3 o  149.454   7.9938  2663.33  281.091  2587.40  397.472  2739.30  397.574  146.513   11.583  150.866   11.241 -4.352600 16.14068 
1 1 1   12    6    4 o  194.602   10.444  4539.16  478.166  4475.10  676.565  4603.10  675.894  191.682   15.069  194.513   14.827 -2.830612 21.14023 
1 1 1   12    6    5 o  186.809   9.9783  4179.88  438.573  4269.90  620.322  4089.90  620.150  187.496   14.114  183.361   14.440 4.135071 20.19199 
1 1 1   12    6    6 f  139.180   6.9156  2300.39  227.283  2671.60  321.909  1931.40  320.945  149.390   9.1697  126.553   10.845 22.83656 14.20164 
1 1 1   12    6    7 o  154.228   8.2061  2840.02  297.779  2965.40  421.254  2714.80  420.992  156.791   11.457  149.829   12.000 6.962479 16.59110 
1 1 1   12    6    8 o   41.832   2.5318  207.538   24.891  231.700   35.247  183.500   35.157   44.135   3.4084   39.198   3.8478 4.936779 5.140352 
1 1 1   12    6    9 o  222.839   11.295  5978.08  592.401  6873.00  838.471  5086.10  837.094  237.250   15.044  202.663   17.669 34.58652 23.20587 
1 1 1   12    6   10 o  134.666   7.1493  2162.37  226.529  2302.70  320.508  2022.30  320.215  138.378   9.8734  129.460   10.567 8.918747 14.46184 
1 1 1   12    6   11 o  108.116   6.0629  1391.83  154.161  1497.20  217.624  1285.70  218.411  111.746   8.3067  103.354   9.0401 8.391479 12.27704 
1 1 1   12    6   12 o  109.808   5.7721  1434.83  149.143  1624.70  211.041  1245.40  210.799  116.525   7.7134  101.719   8.8648 14.80644 11.75083 
1 1 1   12    6   13 o  132.373   6.8862  2090.00  214.506  2331.20  303.578  1849.50  303.138  139.266   9.2846  123.662   10.480 15.60353 14.00090 
1 1 1   12    6   14 o  116.601   6.2499  1620.14  171.457  1724.30  242.546  1516.10  242.407  119.814   8.6307  112.166   9.2342 7.647575 12.63953 
1 1 1   12    6   15 o   19.772   1.7391   46.536   8.0371   50.900   11.384   42.200   11.348   20.616   2.3824   18.710   2.6420 1.905804 3.557542 
1 1 1   12    6   16 o  154.184   8.2714  2848.42  300.050  2922.20  424.413  2774.70  424.257  155.065   11.676  150.959   12.001 4.106094 16.74391 
1 1 1   12    6   17 o   73.079   4.0456  634.341   69.542  687.800   98.402  581.000   98.293   75.917   5.5270   69.664   6.0348 6.253342 8.183318 
1 1 1   12    6   18 o  107.251   5.8350  1370.86  147.218  1388.40  208.145  1353.30  208.252  107.439   8.2678  106.036   8.3855 1.402405 11.77597 
1 1 1   12    6   19 o  319.155   18.379 12885.48  1379.27 13869.50  1948.62 11897.50  1952.54  320.857   25.941  293.341   28.550 27.51663 38.57494 
1 1 1   12    6   20 f  126.529   6.5396  1912.58  194.723  1756.40  274.660  2070.40  276.105  120.373   9.7465  130.998   8.9800 -10.62500 13.25269 
1 1 1   12    6   21 o  104.289   5.6904  1297.76  139.604  1404.20  197.421  1191.30  197.438  108.012   7.7927   99.255   8.5062 8.756920 11.53606 
1 1 1   12    6   22 o  132.396   7.1762  2103.56  223.514  2113.30  315.972  2093.80  316.220  131.613   10.248  130.975   10.308 0.6371460 14.53490 
1 1 1   12    6   23 o   50.941   2.9750  308.241   35.630  334.600   50.445  282.000   50.332   52.949   4.0656   48.528   4.4416 4.421387 6.021368 
1 1 1   12    6   24 o   74.114   4.1564  654.538   72.448  651.500  102.262  657.600  102.652   73.593   5.9351   73.940   5.9292 -0.3468781 8.389306 
1 1 1   12    6   25 o   61.809   3.5088  454.811   51.000  423.600   72.080  486.100   72.170   59.345   5.1960   63.676   4.8358 -4.331379 7.098132 
1 1 1   12    6   26 o  121.383   6.6559  1783.25  190.050  1849.90  268.763  1716.60  268.779  122.184   9.3869  117.441   9.7809 4.743309 13.55660 
1 1 1   12    6   27 o   46.748   2.8321  260.191   31.115  229.800   43.997  290.600   44.010   43.668   4.3236   49.254   3.8137 -5.586388 5.765215 
1 1 1   12    6   28 o  144.962   7.9344  2598.09  270.569  2868.80  382.790  2327.80  382.496  149.400   10.926  133.076   12.312 16.32465 16.46078 
1 1 1   12    6   29 o   38.446   2.4719  176.097   22.322  171.600   31.557  180.600   31.580   37.763   3.5818   38.767   3.4870 -1.004417 4.998847 
1 1 1   12    6   30 o   20.575   2.6142   51.100   12.414   51.100   12.414   0.0000   0.0000   20.575   2.6142  ?   ?  0.000000 2.614188 
1 1 1   12    6   31 o  109.074   9.1014  1535.20  232.277  1535.20  232.277   0.0000   0.0000  109.074   9.1014  ?   ?  0.000000 9.101413 
1 1 1   12    6   32 f   11.610   2.3765   16.600   6.2960   16.600   6.2960   0.0000   0.0000   11.610   2.3765  ?   ?  0.000000 2.376509 
1 1 1   12    6   33 o   27.000   2.9155   88.000   18.293   88.000   18.293   0.0000   0.0000   27.000   2.9155  ?   ?  0.000000 2.915499 
1 1 1   12    6   34 o   22.272   2.6822   60.000   13.823   60.000   13.823   0.0000   0.0000   22.272   2.6822  ?   ?  0.000000 2.682187 
1 1 1   12    6   35 f   51.051   4.4614  319.900   53.242  319.900   53.242   0.0000   0.0000   51.051   4.4614  ?   ?  0.000000 4.461408 
1 1 1   12    6   36 f   66.806   5.7074  564.100   89.172  564.100   89.172   0.0000   0.0000   66.806   5.7074  ?   ?  0.000000 5.707357 
1 1 1   12    6   37 o   64.326   5.5720  527.400   83.801  527.400   83.801   0.0000   0.0000   64.326   5.5720  ?   ?  0.000000 5.572024 
1 1 1   12    6   38 o   26.842   2.9343   88.100   18.296   88.100   18.296   0.0000   0.0000   26.842   2.9343  ?   ?  0.000000 2.934300 
1 1 1   12    6   39 o   42.536   3.9383  225.800   39.108  225.800   39.108   0.0000   0.0000   42.536   3.9383  ?   ?  0.000000 3.938282 
1 1 1   12    6   40 o   16.417   2.5721   33.300   9.6437   33.300   9.6437   0.0000   0.0000   16.417   2.5721  ?   ?  0.000000 2.572079 
1 1 1   12    6   41 o   30.287   3.1495  113.500   22.195  113.500   22.195   0.0000   0.0000   30.287   3.1495  ?   ?  0.000000 3.149521 
1 1 1   12    6   42 o   57.966   5.2926  444.700   71.645  444.700   71.645   0.0000   0.0000   57.966   5.2926  ?   ?  0.000000 5.292634 
1 1 1   12    6   43 o   35.964   3.5444  162.400   29.709  162.400   29.709   0.0000   0.0000   35.964   3.5444  ?   ?  0.000000 3.544359 
1 1 1   12    6   44 o   33.571   3.4070  142.100   26.634  142.100   26.634   0.0000   0.0000   33.571   3.4070  ?   ?  0.000000 3.407022 
1 1 1   12    6   45 o   40.345   3.9262  211.100   36.930  211.100   36.930   0.0000   0.0000   40.345   3.9262  ?   ?  0.000000 3.926158 
1 1 1   12    6   46 o   28.808   3.1536  105.500   21.102  105.500   21.102   0.0000   0.0000   28.808   3.1536  ?   ?  0.000000 3.153620 
1 1 1   12    6   47 o   20.166   2.7140   51.500   12.596   51.500   12.596   0.0000   0.0000   20.166   2.7140  ?   ?  0.000000 2.714020 
1 1 1   12    6   48 o   18.379   2.6278   42.900   11.080   42.900   11.080   0.0000   0.0000   18.379   2.6278  ?   ?  0.000000 2.627798 
1 1 1   12    6   49 o   15.438   2.5684   30.500   9.0342   30.500   9.0342   0.0000   0.0000   15.438   2.5684  ?   ?  0.000000 2.568379 
1 1 1   12    6   50 o   11.332   2.4844   16.700   6.4646   16.700   6.4646   0.0000   0.0000   11.332   2.4844  ?   ?  0.000000 2.484421 
1 1 1   12    6   51 o   26.375   3.1807   94.200   19.410   94.200   19.410   0.0000   0.0000   26.375   3.1807  ?   ?  0.000000 3.180663 
1 1 1   12    6   52 o   5.2174   1.9729   2.7000   3.3296   2.7000   3.3296   0.0000   0.0000   5.2174   1.9729  ?   ?  0.000000 1.972903 
1 1 1   12    6   53 o   6.1163   2.4839   3.2000   5.6079   3.2000   5.6079   0.0000   0.0000   6.1163   2.4839  ?   ?  0.000000 2.483901 
1 1 1   12    6   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    6   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    7    0 o  110.621   8.6828  1477.30  223.594  1477.30  223.594  1477.30  223.594  110.621   8.6828  110.621   8.6828 -0.000000 0.000000 
1 1 1   12    7    1 o   66.012   3.7413  516.950   58.079  494.100   82.136  539.800   82.136   64.353   5.4564   67.313   5.2079 -2.959518 7.542897 
1 1 1   12    7    2 o  232.999   12.479  6541.67  684.111  6644.50  967.596  6438.90  967.363  232.457   17.762  228.660   18.063 3.797333 25.33284 
1 1 1   12    7    3 o  294.627   15.722 10571.65  1089.85  9802.10  1540.78 11342.20  1541.77  278.371   23.664  301.018   21.839 -22.64670 32.20143 
1 1 1   12    7    4 o  149.046   7.5576  2647.36  265.121  3113.40  375.216  2182.70  374.661  161.152   9.9081  134.327   11.936 26.82552 15.51261 
1 1 1   12    7    5 o  147.027   7.9356  2579.33  274.492  2440.10  388.306  2718.40  388.075  142.121   11.674  150.236   11.016 -8.115204 16.05070 
1 1 1   12    7    6 o   39.567   2.3514  185.625   21.871  224.000   30.981  147.500   30.880   43.426   3.0404   35.111   3.7843 8.314796 4.854407 
1 1 1   12    7    7 o  198.849   10.643  4750.13  497.916  4833.60  704.259  4666.70  704.059  198.883   15.109  195.276   15.393 3.606857 21.56930 
1 1 1   12    7    8 o   98.947   5.0689  1162.93  118.038  1352.50  167.119  974.200  166.744  106.506   6.6787   90.121   7.9156 16.38511 10.35670 
1 1 1   12    7    9 o  125.626   6.4768  1879.03  191.479  2267.70  270.975  1491.40  270.609  137.676   8.3749  111.091   10.438 26.58524 13.38259 
1 1 1   12    7   10 o  141.834   7.6023  2401.61  253.689  2578.20  358.806  2225.10  358.733  146.269   10.457  135.593   11.307 10.67557 15.40150 
1 1 1   12    7   11 o  160.178   8.8504  3074.26  333.457  3331.80  471.023  2815.50  472.138  165.737   12.119  151.865   13.300 13.87155 17.99353 
1 1 1   12    7   12 o  214.152   11.451  5540.67  576.989  6198.50  816.099  4883.20  815.872  224.471   15.491  197.932   17.641 26.53963 23.47721 
1 1 1   12    7   13 o   86.703   4.6635  893.263   95.129  1052.40  134.591  734.400  134.474   93.932   6.1010   78.184   7.3708 15.74748 9.568184 
1 1 1   12    7   14 f  102.965   5.6014  1261.99  135.678  1407.40  191.882  1116.60  191.875  108.409   7.5426   96.300   8.5260 12.10924 11.38346 
1 1 1   12    7   15 o  188.396   10.149  4276.77  449.823  4551.70  636.127  4001.80  636.165  192.613   14.084  180.033   15.104 12.57945 20.65136 
1 1 1   12    7   16 o   87.982   4.8416  920.502  100.202  982.000  141.705  859.000  141.708   90.602   6.6704   84.618   7.1592 5.983940 9.785097 
1 1 1   12    7   17 o   38.689   2.4828  177.654   22.563  175.600   31.943  179.700   31.875   38.356   3.5677   38.811   3.5163 -0.4547729 5.009233 
1 1 1   12    7   18 o   42.149   2.6039  210.830   25.790  230.000   36.492  191.700   36.453   43.941   3.5472   40.047   3.9045 3.894154 5.275147 
1 1 1   12    7   19 o   86.079   6.7909  888.600  136.913  888.600  136.913   0.0000   0.0000   86.079   6.7909  ?   ?  0.000000 6.790877 
1 1 1   12    7   20 o  130.443   10.153  2066.00  310.285  2066.00  310.285   0.0000   0.0000  130.443   10.153  ?   ?  0.000000 10.15341 
1 1 1   12    7   21 o   11.768   1.6055   16.664   4.3449   14.700   6.0196   18.800   6.2776   10.938   2.3968   12.424   2.2213 -1.486231 3.267850 
1 1 1   12    7   22 o   61.807   3.6625  454.259   53.215  528.400   75.177  379.800   75.338   66.516   4.8189   56.175   5.7610 10.34050 7.510735 
1 1 1   12    7   23 o   87.055   4.8968  904.354  100.253  959.000  141.579  849.400  141.979   89.234   6.7695   83.828   7.2437 5.405937 9.914441 
1 1 1   12    7   24 o   47.522   2.8337  268.382   31.654  257.300   44.629  279.600   44.903   46.356   4.1200   48.361   3.9670 -2.005650 5.719373 
1 1 1   12    7   25 o   95.716   5.3753  1098.74  121.000  1149.90  170.806  1047.20  171.436   97.226   7.4976   92.601   7.9163 4.625481 10.90328 
1 1 1   12    7   26 o   24.746   1.9015   72.865   11.026   82.500   15.622   63.300   15.565   26.267   2.5508   22.917   2.9445 3.349861 3.895708 
1 1 1   12    7   27 o   21.997   1.8522   57.653   9.5311   59.700   13.468   55.600   13.490   22.289   2.6082   21.482   2.7202 0.8067932 3.768598 
1 1 1   12    7   28 o   37.556   2.4556  167.966   21.657  181.800   30.610  154.100   30.645   38.938   3.3621   35.767   3.6809 3.171070 4.985274 
1 1 1   12    7   29 o   24.725   1.9317   72.844   11.189   80.000   15.830   65.700   15.817   25.823   2.6328   23.325   2.9369 2.498455 3.944209 
1 1 1   12    7   30 o   35.245   2.3438  148.100   19.396  147.600   27.422  148.600   27.438   35.008   3.3584   35.130   3.3481 -0.1214104 4.742201 
1 1 1   12    7   31 o   40.643   2.5227  197.112   24.091  209.700   34.122  184.600   34.019   41.729   3.4950   39.078   3.7320 2.650379 5.113019 
1 1 1   12    7   32 o   31.554   3.1590  120.100   23.222  120.100   23.222   0.0000   0.0000   31.554   3.1590  ?   ?  0.000000 3.158989 
1 1 1   12    7   33 o   59.236   5.0122  430.700   69.452  430.700   69.452   0.0000   0.0000   59.236   5.0122  ?   ?  0.000000 5.012244 
1 1 1   12    7   34 o   53.022   4.5733  344.500   56.699  344.500   56.699   0.0000   0.0000   53.022   4.5733  ?   ?  0.000000 4.573300 
1 1 1   12    7   35 o   55.999   4.8106  387.100   62.995  387.100   62.995   0.0000   0.0000   55.999   4.8106  ?   ?  0.000000 4.810559 
1 1 1   12    7   36 o   53.006   4.6230  348.400   57.286  348.400   57.286   0.0000   0.0000   53.006   4.6230  ?   ?  0.000000 4.623020 
1 1 1   12    7   37 f   41.960   3.8580  217.000   37.797  217.000   37.797   0.0000   0.0000   41.960   3.8580  ?   ?  0.000000 3.857954 
1 1 1   12    7   38 o   20.680   2.6459   52.300   12.625   52.300   12.625   0.0000   0.0000   20.680   2.6459  ?   ?  0.000000 2.645882 
1 1 1   12    7   39 o   12.197   2.4210   18.500   6.7266   18.500   6.7266   0.0000   0.0000   12.197   2.4210  ?   ?  0.000000 2.420970 
1 1 1   12    7   40 o   39.499   3.7506  195.100   34.563  195.100   34.563   0.0000   0.0000   39.499   3.7506  ?   ?  0.000000 3.750551 
1 1 1   12    7   41 o   31.426   3.2198  122.400   23.556  122.400   23.556   0.0000   0.0000   31.426   3.2198  ?   ?  0.000000 3.219803 
1 1 1   12    7   42 o   35.119   3.4745  154.100   28.436  154.100   28.436   0.0000   0.0000   35.119   3.4745  ?   ?  0.000000 3.474548 
1 1 1   12    7   43 o   15.379   2.5261   29.400   8.8554   29.400   8.8554   0.0000   0.0000   15.379   2.5261  ?   ?  0.000000 2.526144 
1 1 1   12    7   44 o   16.420   2.5440   33.600   9.5451   33.600   9.5451   0.0000   0.0000   16.420   2.5440  ?   ?  0.000000 2.544034 
1 1 1   12    7   45 o   17.498   2.5749   38.300   10.322   38.300   10.322   0.0000   0.0000   17.498   2.5749  ?   ?  0.000000 2.574940 
1 1 1   12    7   46 o   39.685   3.9288  207.100   36.333  207.100   36.333   0.0000   0.0000   39.685   3.9288  ?   ?  0.000000 3.928813 
1 1 1   12    7   47 o   16.314   2.6096   33.800   9.7146   33.800   9.7146   0.0000   0.0000   16.314   2.6096  ?   ?  0.000000 2.609643 
1 1 1   12    7   48 o   32.645   3.4516  139.600   26.204  139.600   26.204   0.0000   0.0000   32.645   3.4516  ?   ?  0.000000 3.451620 
1 1 1   12    7   49 o   12.980   2.5355   21.700   7.4926   21.700   7.4926   0.0000   0.0000   12.980   2.5355  ?   ?  0.000000 2.535512 
1 1 1   12    7   50 o   10.875   2.5547   15.500   6.4492   15.500   6.4492   0.0000   0.0000   10.875   2.5547  ?   ?  0.000000 2.554746 
1 1 1   12    7   51 o   8.3266   2.3383   9.1000   4.7868   9.1000   4.7868   0.0000   0.0000   8.3266   2.3383  ?   ?  0.000000 2.338307 
1 1 1   12    7   52 o   16.869   2.7798   39.000   10.687   39.000   10.687   0.0000   0.0000   16.869   2.7798  ?   ?  0.000000 2.779774 
1 1 1   12    7   53 o   13.762   2.8254   27.000   8.8743   27.000   8.8743   0.0000   0.0000   13.762   2.8254  ?   ?  0.000000 2.825368 
1 1 1   12    7   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    7   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    8    0 o  263.994   20.638  8581.80  1268.44  8581.80  1268.44  8581.80  1268.44  263.994   20.638  263.994   20.638 0.000000 0.000000 
1 1 1   12    8    1 o  258.616   13.926  8101.71  847.281  8186.60  1198.19  8016.80  1198.29  256.623   19.929  253.787   20.162 2.836548 28.34876 
1 1 1   12    8    2 f  124.022   6.5901  1830.68  192.307  1997.50  272.058  1664.10  271.868  129.139   8.9774  117.627   9.8794 11.51192 13.34898 
1 1 1   12    8    3 o  119.752   6.4582  1706.70  181.947  1694.60  257.307  1718.80  257.316  118.833   9.2423  119.698   9.1735 -0.8644638 13.02206 
1 1 1   12    8    4 o   95.559   5.2051  1084.97  117.009  1163.00  165.508  1007.00  165.444   98.680   7.1513   91.695   7.7125 6.984627 10.51777 
1 1 1   12    8    5 o  107.781   5.7085  1381.09  144.769  1518.60  204.931  1244.10  204.539  112.720   7.7462  101.820   8.5872 10.89931 11.56476 
1 1 1   12    8    6 o  306.341   16.335 11494.74  1177.40 13422.30  1665.54  9569.20  1664.66  326.678   21.715  271.795   26.264 54.88370 34.07857 
1 1 1   12    8    7 o  144.866   7.7592  2504.71  264.462  2474.00  373.734  2535.50  374.278  143.159   11.143  144.973   11.016 -1.813736 15.66901 
1 1 1   12    8    8 o  225.086   12.045  6117.46  637.898  6984.80  902.195  5250.40  902.054  238.516   16.113  205.197   18.827 33.31964 24.78032 
1 1 1   12    8    9 o  149.319   8.3850  2667.03  294.453  3105.60  415.982  2226.60  416.860  160.430   11.048  135.047   13.242 25.38266 17.24584 
1 1 1   12    8   10 o  213.867   10.663  5492.33  538.476  6723.30  762.131  4265.30  760.909  234.932   13.799  185.092   17.622 49.84000 22.38177 
1 1 1   12    8   11 o  139.136   7.4813  2311.94  244.894  2300.00  346.189  2323.90  346.475  137.958   10.711  138.692   10.661 -0.7339478 15.11214 
1 1 1   12    8   12 o   72.178   4.0611  618.664   68.935  663.200   97.473  574.100   97.505   74.556   5.5770   69.273   6.0206 5.282974 8.206713 
1 1 1   12    8   13 o   75.577   4.2780  678.573   76.033  744.600  107.468  612.400  107.587   78.985   5.8026   71.491   6.4422 7.493942 8.670197 
1 1 1   12    8   14 o  109.244   5.9435  1421.62  152.745  1460.80  215.956  1382.40  216.072  110.276   8.3553  107.201   8.6082 3.074112 11.99637 
1 1 1   12    8   15 o  136.160   7.3881  2216.13  236.655  2392.20  334.603  2039.90  334.758  140.738   10.136  129.629   11.041 11.10922 14.98854 
1 1 1   12    8   16 o  323.885   18.057 13142.70  1375.55 13342.30  1944.58 12942.80  1946.07  316.466   26.259  311.002   26.760 5.463867 37.49163 
1 1 1   12    8   17 o  150.867   8.1369  2728.37  288.806  2788.00  408.362  2668.70  408.506  151.388   11.510  147.990   11.787 3.398148 16.47463 
1 1 1   12    8   18 o   82.667   4.6529  812.878   90.458  852.800  127.723  772.700  128.132   84.396   6.4579   80.243   6.8271 4.152817 9.397532 
1 1 1   12    8   19 o  113.400   6.1908  1535.06  165.150  1550.40  233.095  1519.60  234.022  113.349   8.7772  112.175   8.9082 1.173836 12.50577 
1 1 1   12    8   20 o  103.101   8.0659  1281.20  194.807  1281.20  194.807   0.0000   0.0000  103.101   8.0659  ?   ?  0.000000 8.065918 
1 1 1   12    8   21 o   37.013   2.4533  162.703   21.321  182.900   30.113  142.400   30.191   39.168   3.2862   34.463   3.7715 4.705059 5.002311 
1 1 1   12    8   22 o  154.510   8.6218  2887.48  313.315  3212.20  442.698  2561.60  443.491  161.416   11.694  143.184   13.267 18.23114 17.68531 
1 1 1   12    8   23 o   65.417   3.7297  509.244   57.375  613.800   81.143  404.700   81.138   71.665   4.8230   57.894   6.0233 13.77046 7.716309 
1 1 1   12    8   24 o   54.382   3.1900  351.773   40.786  347.400   57.503  356.200   57.859   53.834   4.5665   54.521   4.5352 -0.6877937 6.435974 
1 1 1   12    8   25 o   70.473   4.0721  592.837   67.476  644.800   95.301  540.600   95.552   73.173   5.5570   66.819   6.1240 6.354546 8.269456 
1 1 1   12    8   26 o   79.431   4.5278  755.796   84.574  786.300  119.323  725.000  119.892   80.481   6.3297   77.153   6.6456 3.327896 9.177629 
1 1 1   12    8   27 o   28.289   2.0683   95.253   13.720   97.500   19.392   93.000   19.416   28.510   2.9217   27.825   3.0026 0.6855679 4.189456 
1 1 1   12    8   28 o   71.895   4.0598  619.774   68.642  611.800   96.914  627.800   97.234   70.852   5.8447   71.802   5.7839 -0.9495163 8.222785 
1 1 1   12    8   29 o   51.875   3.0823  321.479   37.587  317.300   53.021  325.700   53.291   51.219   4.4274   51.908   4.3889 -0.6887741 6.234078 
1 1 1   12    8   30 o   26.575   1.9666   84.162   12.254   97.600   17.353   70.800   17.305   28.538   2.6038   24.179   3.1024 4.359148 4.050270 
1 1 1   12    8   31 o   40.283   2.5648  193.747   24.270  209.400   34.326  178.100   34.321   41.688   3.5200   38.346   3.8420 3.341667 5.210701 
1 1 1   12    8   32 o  105.822   6.0360  1384.57  150.203  1548.20  212.342  1220.70  212.497  109.822   8.2483   96.250   9.4722 13.57202 12.56017 
1 1 1   12    8   33 o   41.020   2.6003  201.251   25.057  193.700   35.439  208.800   35.434   39.949   3.8026   41.533   3.6500 -1.583996 5.270928 
1 1 1   12    8   34 o   51.439   3.0473  317.905   36.849  346.800   52.153  289.100   52.071   53.340   4.1739   48.507   4.6011 4.833073 6.212218 
1 1 1   12    8   35 o   37.850   3.5530  174.300   31.384  174.300   31.384   0.0000   0.0000   37.850   3.5530  ?   ?  0.000000 3.553018 
1 1 1   12    8   36 o   26.291   2.8909   84.000   17.652   84.000   17.652   0.0000   0.0000   26.291   2.8909  ?   ?  0.000000 2.890934 
1 1 1   12    8   37 o   82.771   7.3483  923.600  142.130  923.600  142.130   0.0000   0.0000   82.771   7.3483  ?   ?  0.000000 7.348255 
1 1 1   12    8   38 o   20.170   2.6403   49.800   12.273   49.800   12.273   0.0000   0.0000   20.170   2.6403  ?   ?  0.000000 2.640301 
1 1 1   12    8   39 f   23.887   2.8000   70.000   15.494   70.000   15.494   0.0000   0.0000   23.887   2.8000  ?   ?  0.000000 2.799990 
1 1 1   12    8   40 o   41.949   3.9205  221.200   38.384  221.200   38.384   0.0000   0.0000   41.949   3.9205  ?   ?  0.000000 3.920483 
1 1 1   12    8   41 o   22.219   2.7320   60.800   14.032   60.800   14.032   0.0000   0.0000   22.219   2.7320  ?   ?  0.000000 2.732026 
1 1 1   12    8   42 o   16.800   2.5217   34.900   9.6952   34.900   9.6952   0.0000   0.0000   16.800   2.5217  ?   ?  0.000000 2.521721 
1 1 1   12    8   43 o   14.505   2.4876   26.200   8.2138   26.200   8.2138   0.0000   0.0000   14.505   2.4876  ?   ?  0.000000 2.487594 
1 1 1   12    8   44 o   28.295   3.0779  100.300   20.233  100.300   20.233   0.0000   0.0000   28.295   3.0779  ?   ?  0.000000 3.077934 
1 1 1   12    8   45 o   23.789   2.8498   71.000   15.690   71.000   15.690   0.0000   0.0000   23.789   2.8498  ?   ?  0.000000 2.849802 
1 1 1   12    8   46 o   27.014   3.0474   92.800   19.099   92.800   19.099   0.0000   0.0000   27.014   3.0474  ?   ?  0.000000 3.047368 
1 1 1   12    8   47 o   36.313   3.7287  174.300   31.519  174.300   31.519   0.0000   0.0000   36.313   3.7287  ?   ?  0.000000 3.728688 
1 1 1   12    8   48 o   12.484   2.5215   20.000   7.1774   20.000   7.1774   0.0000   0.0000   12.484   2.5215  ?   ?  0.000000 2.521473 
1 1 1   12    8   49 o   31.965   3.4459  135.300   25.599  135.300   25.599   0.0000   0.0000   31.965   3.4459  ?   ?  0.000000 3.445904 
1 1 1   12    8   50 o   8.3877   2.3458   9.1000   4.8279   9.1000   4.8279   0.0000   0.0000   8.3877   2.3458  ?   ?  0.000000 2.345836 
1 1 1   12    8   51 o   6.7446   2.2549   5.6000   4.2202   5.6000   4.2202   0.0000   0.0000   6.7446   2.2549  ?   ?  0.000000 2.254881 
1 1 1   12    8   52 o   9.3294   2.9422   12.300   7.2426   12.300   7.2426   0.0000   0.0000   9.3294   2.9422  ?   ?  0.000000 2.942154 
1 1 1   12    8   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    8   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    8   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    9    0 o   34.644   3.3777  145.800   27.029  145.800   27.029  145.800   27.029   34.644   3.3777   34.644   3.3777 0.000000 0.000000 
1 1 1   12    9    1 o   20.279   1.7958   48.954   8.5105   42.100   12.039   55.800   12.032   18.665   2.8194   21.599   2.3997 -2.933777 3.702380 
1 1 1   12    9    2 o  223.361   11.543  6005.09  606.747  5391.80  857.295  6620.60  858.846  209.013   17.532  232.698   15.722 -23.68546 23.54895 
1 1 1   12    9    3 o   58.211   3.3128  401.932   45.349  428.700   64.215  375.300   64.051   60.005   4.5662   56.083   4.8853 3.921642 6.687025 
1 1 1   12    9    4 o  170.570   8.9656  3480.20  359.848  3090.20  508.612  3871.10  509.194  159.323   13.651  178.986   12.119 -19.66312 18.25426 
1 1 1   12    9    5 f   60.752   3.5121  437.924   50.168  450.900   70.883  424.900   71.014   61.504   4.9218   59.673   5.0883 1.831417 7.079218 
1 1 1   12    9    6 o  229.233   12.246  6346.66  660.492  7036.30  934.202  5657.40  933.950  239.174   16.645  213.196   18.742 25.97804 25.06624 
1 1 1   12    9    7 o  171.099   9.2178  3506.78  371.049  3692.90  524.630  3320.50  524.857  174.444   12.826  165.094   13.584 9.350449 18.68219 
1 1 1   12    9    8 o  136.010   7.3010  2206.97  233.627  2377.50  330.424  2036.50  330.374  140.555   10.021  129.805   10.879 10.74998 14.79086 
1 1 1   12    9    9 o  162.446   8.7784  3160.38  335.483  3209.80  473.837  3110.70  475.056  162.571   12.437  159.940   12.682 2.630356 17.76325 
1 1 1   12    9   10 o   54.222   3.0616  348.732   39.040  403.600   55.270  294.100   55.152   58.254   4.0430   49.596   4.7680 8.658222 6.251334 
1 1 1   12    9   11 o   65.124   3.7097  503.459   56.813  524.500   80.328  482.400   80.362   66.312   5.1709   63.546   5.4069 2.765755 7.481454 
1 1 1   12    9   12 o  187.081   10.106  4212.79  444.812  4581.90  628.981  3843.50  629.138  193.536   13.855  176.526   15.243 17.01051 20.59817 
1 1 1   12    9   13 o   24.274   1.9111   70.046   10.866   75.600   15.373   64.500   15.361   25.153   2.6270   23.181   2.8674 1.972137 3.888838 
1 1 1   12    9   14 o  154.447   8.2328  2857.11  299.171  3207.80  423.175  2506.70  423.008  162.762   11.076  143.237   12.636 19.52512 16.80325 
1 1 1   12    9   15 o  185.265   9.9917  4135.38  435.499  4194.00  615.718  4076.70  616.058  184.704   14.227  181.973   14.456 2.730743 20.28226 
1 1 1   12    9   16 o  180.396   9.6883  3919.15  411.192  4426.60  581.541  3411.80  581.485  190.283   13.021  166.004   14.996 24.27945 19.85991 
1 1 1   12    9   17 o  242.908   13.232  7221.51  756.109  7834.10  1069.29  6608.90  1069.31  249.094   18.307  227.156   20.144 21.93864 27.22014 
1 1 1   12    9   18 o   63.315   3.7122  476.286   55.258  518.400   78.022  433.900   78.273   65.898   5.0525   60.176   5.5716 5.721462 7.521331 
1 1 1   12    9   19 o  136.367   7.4875  2228.77  240.185  2317.80  339.165  2139.20  340.183  138.104   10.478  132.464   10.974 5.640518 15.17341 
1 1 1   12    9   20 o   10.283   1.6157   12.795   3.7937   13.400   5.3899   12.200   5.3407   10.447   2.2513   9.9598   2.3148 0.4869823 3.229064 
1 1 1   12    9   21 o   43.737   2.6609  227.115   27.351  253.300   38.706  201.000   38.654   46.101   3.5837   40.973   4.0480 5.127724 5.406428 
1 1 1   12    9   22 o   92.729   5.2211  1026.87  113.859  1099.80  160.777  953.500  161.267   95.505   7.1817   88.727   7.7756 6.778358 10.58469 
1 1 1   12    9   23 o  118.457   6.2711  1684.66  174.790  1588.10  246.501  1782.30  247.885  113.900   9.2448  120.925   8.7399 -7.025475 12.72207 
1 1 1   12    9   24 o   66.845   3.8308  532.490   60.215  541.800   84.975  523.100   85.340   67.124   5.4069   65.919   5.5337 1.204941 7.736703 
1 1 1   12    9   25 o   28.096   2.0618   93.900   13.584  101.700   19.210   86.100   19.210   29.156   2.8257   26.764   3.0968 2.391571 4.192253 
1 1 1   12    9   26 o   87.501   4.9644  919.928  102.154  994.100  144.294  845.400  144.640   90.294   6.8177   82.965   7.4628 7.328972 10.10816 
1 1 1   12    9   27 o   9.9608   1.6358   12.043   3.7140   10.800   5.2383   13.300   5.2666   9.3656   2.3674   10.400   2.2126 -1.034122 3.240397 
1 1 1   12    9   28 o   68.944   3.8665  569.587   62.694  543.900   88.470  595.500   88.857   66.808   5.6612   70.014   5.4167 -3.206413 7.835186 
1 1 1   12    9   29 o   60.682   3.5479  441.285   50.617  488.400   71.557  394.100   71.610   63.468   4.8103   56.774   5.4068 6.694496 7.236926 
1 1 1   12    9   30 o   85.911   4.8872  895.452   98.735  914.700  139.264  876.000  140.003   85.683   6.9428   83.708   7.1515 1.974968 9.967228 
1 1 1   12    9   31 f   43.472   2.6584  225.740   27.158  213.400   38.314  238.200   38.500   41.977   3.9103   44.423   3.7039 -2.446014 5.386037 
1 1 1   12    9   32 o   98.809   5.5743  1201.05  129.531  1199.70  182.868  1202.40  183.501   96.654   8.0866   96.743   8.1074 -0.8935547E-01 11.45089 
1 1 1   12    9   33 o   36.697   2.4170  160.956   20.827  163.600   29.421  158.300   29.486   36.776   3.4275   36.152   3.4977 0.6234360 4.897101 
1 1 1   12    9   34 o   61.066   3.3846  449.518   48.615  392.400   68.555  507.300   68.952   56.246   5.2211   64.355   4.5670 -8.109390 6.936709 
1 1 1   12    9   35 o   29.019   2.0854  100.732   14.195  109.500   20.096   92.000   20.054   30.097   2.8621   27.495   3.1454 2.601974 4.252671 
1 1 1   12    9   36 o   7.4313   1.7162   6.8241   2.9508   5.2000   4.3571   8.2000   4.0104   6.8158   2.2911   8.1405   2.0790 -1.324707 3.093724 
1 1 1   12    9   37 o   18.262   2.5634   40.800   10.750   40.800   10.750   0.0000   0.0000   18.262   2.5634  ?   ?  0.000000 2.563432 
1 1 1   12    9   38 o   77.964   7.0532  829.600  128.445  829.600  128.445   0.0000   0.0000   77.964   7.0532  ?   ?  0.000000 7.053229 
1 1 1   12    9   39 o   59.581   5.3271  462.700   74.158  462.700   74.158   0.0000   0.0000   59.581   5.3271  ?   ?  0.000000 5.327111 
1 1 1   12    9   40 o   6.1686   2.0677   4.3000   3.5486   4.3000   3.5486   0.0000   0.0000   6.1686   2.0677  ?   ?  0.000000 2.067651 
1 1 1   12    9   41 o   42.849   4.0055  232.200   40.059  232.200   40.059   0.0000   0.0000   42.849   4.0055  ?   ?  0.000000 4.005531 
1 1 1   12    9   42 o   51.780   4.7435  348.900   57.355  348.900   57.355   0.0000   0.0000   51.780   4.7435  ?   ?  0.000000 4.743468 
1 1 1   12    9   43 o   32.890   3.3450  135.600   25.617  135.600   25.617   0.0000   0.0000   32.890   3.3450  ?   ?  0.000000 3.344990 
1 1 1   12    9   44 o   43.269   4.1308  243.200   41.693  243.200   41.693   0.0000   0.0000   43.269   4.1308  ?   ?  0.000000 4.130776 
1 1 1   12    9   45 o   18.867   2.6421   44.600   11.448   44.600   11.448   0.0000   0.0000   18.867   2.6421  ?   ?  0.000000 2.642057 
1 1 1   12    9   46 o   47.033   4.6233  303.700   50.684  303.700   50.684   0.0000   0.0000   47.033   4.6233  ?   ?  0.000000 4.623303 
1 1 1   12    9   47 o   33.217   3.4942  144.300   26.996  144.300   26.996   0.0000   0.0000   33.217   3.4942  ?   ?  0.000000 3.494164 
1 1 1   12    9   48 o   13.486   2.5474   23.300   7.8151   23.300   7.8151   0.0000   0.0000   13.486   2.5474  ?   ?  0.000000 2.547386 
1 1 1   12    9   49 f   21.974   2.8335   62.200   14.361   62.200   14.361   0.0000   0.0000   21.974   2.8335  ?   ?  0.000000 2.833547 
1 1 1   12    9   50 o   7.3716   2.3514   6.8000   4.6159   6.8000   4.6159   0.0000   0.0000   7.3716   2.3514  ?   ?  0.000000 2.351368 
1 1 1   12    9   51 o   10.092   2.6190   13.800   6.2954   13.800   6.2954   0.0000   0.0000   10.092   2.6190  ?   ?  0.000000 2.619020 
1 1 1   12    9   52 f   10.519   2.9254   15.900   7.5304   15.900   7.5304   0.0000   0.0000   10.519   2.9254  ?   ?  0.000000 2.925356 
1 1 1   12    9   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    9   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12    9   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   10    0 o  133.637   10.430  2161.40  324.511  2161.40  324.511  2161.40  324.511  133.637   10.430  133.637   10.430 -0.000000 0.000000 
1 1 1   12   10    1 o   88.113   4.8462  922.249  100.446  927.000  142.072  917.500  142.031   88.071   6.8863   87.610   6.9218 0.4608307 9.763773 
1 1 1   12   10    2 o  158.500   8.4770  3002.49  316.122  2868.40  446.954  3136.70  447.172  153.845   12.409  161.103   11.838 -7.257614 17.14944 
1 1 1   12   10    3 o  330.770   18.229 13523.88  1418.32 14436.70  2005.49 12610.50  2006.12  334.694   25.569  310.542   27.646 24.15170 37.65753 
1 1 1   12   10    4 o  232.039   12.537  6509.36  684.372  6683.20  967.538  6335.30  968.159  232.431   17.763  225.954   18.303 6.477127 25.50495 
1 1 1   12   10    5 o  209.114   11.263  5267.07  554.100  5501.30  783.497  5032.70  783.734  211.746   15.783  202.092   16.569 9.654205 22.88305 
1 1 1   12   10    6 o  263.623   14.163  8458.58  878.433  9564.00  1242.44  7353.70  1242.14  277.039   19.109  240.641   22.107 36.39839 29.22086 
1 1 1   12   10    7 o   85.659   4.6227  871.517   93.157  999.300  131.813  744.000  131.676   91.547   6.1330   78.772   7.1571 12.77472 9.425368 
1 1 1   12   10    8 o  123.033   6.1292  1797.30  178.069  2205.80  252.076  1390.40  251.579  135.827   7.8933  107.260   10.050 28.56717 12.77921 
1 1 1   12   10    9 o  200.210   10.827  4831.19  509.973  5161.60  721.063  4500.50  721.358  205.081   14.994  190.844   16.159 14.23639 22.04345 
1 1 1   12   10   10 o   31.546   2.2005  118.161   16.289  119.600   22.951  116.700   23.124   31.651   3.1110   31.253   3.1774 0.3978081 4.446815 
1 1 1   12   10   11 o   74.816   4.1844  664.808   73.629  721.000  104.120  608.600  104.134   77.733   5.7124   71.302   6.2478 6.430573 8.465663 
1 1 1   12   10   12 o  140.108   7.4503  2345.54  245.603  2656.70  347.422  2034.70  347.248  148.463   9.9679  129.386   11.485 19.07669 15.20730 
1 1 1   12   10   13 o  173.389   9.3354  3612.37  380.815  3794.90  538.521  3429.80  538.587  176.301   13.028  167.243   13.760 9.058624 18.94886 
1 1 1   12   10   14 o   95.430   5.2459  1083.64  117.761  1185.80  166.511  981.400  166.568   99.526   7.1324   90.348   7.8865 9.177864 10.63334 
1 1 1   12   10   15 o   62.003   3.5323  456.382   51.502  436.200   72.803  476.600   72.868   60.421   5.1519   63.208   4.9208 -2.786743 7.124322 
1 1 1   12   10   16 o  108.548   5.8823  1404.28  150.214  1520.90  212.454  1287.70  212.416  112.534   8.0482  103.326   8.7894 9.208069 11.91750 
1 1 1   12   10   17 o  187.510   10.484  4255.25  462.333  4763.60  653.262  3745.10  654.414  196.487   14.175  172.954   16.213 23.53366 21.53557 
1 1 1   12   10   18 o   50.738   3.0702  305.667   36.612  349.300   51.737  261.900   51.817   54.145   4.0764   46.748   4.7605 7.397449 6.267312 
1 1 1   12   10   19 o  121.765   6.7319  1774.02  192.811  1876.10  272.317  1671.40  273.036  124.487   9.3316  117.259   9.9548 7.227936 13.64471 
1 1 1   12   10   20 o   75.786   4.2985  683.452   76.608  790.300  108.289  576.400  108.392   81.290   5.6770   69.162   6.7219 12.12852 8.798411 
1 1 1   12   10   21 f  136.269   7.4033  2232.93  237.331  2279.90  335.542  2185.90  335.731  136.471   10.493  133.500   10.741 2.970917 15.01536 
1 1 1   12   10   22 o   20.806   1.6192   51.462   7.8924   67.000   11.230   36.300   11.094   23.720   2.0245   17.291   2.8138 6.428692 3.466433 
1 1 1   12   10   23 o   28.025   2.1084   93.415   13.851  103.900   19.527   82.800   19.649   29.484   2.8399   26.232   3.2409 3.251654 4.309148 
1 1 1   12   10   24 o   18.414   1.7492   40.450   7.5146   50.500   10.627   30.400   10.627   20.539   2.2269   15.760   2.9644 4.778547 3.707677 
1 1 1   12   10   25 o   43.221   2.7248  222.302   27.667  232.000   39.023  212.500   39.232   44.000   3.7929   42.060   3.9982 1.939850 5.511035 
1 1 1   12   10   26 o   76.669   4.3873  704.591   79.099  741.400  111.649  667.500  112.077   78.116   6.1012   73.961   6.4827 4.154404 8.902231 
1 1 1   12   10   27 o   65.556   3.7175  514.114   57.311  499.900   80.806  528.500   81.295   64.184   5.3813   66.046   5.2561 -1.862503 7.522244 
1 1 1   12   10   28 o  102.403   5.7252  1275.74  137.885  1284.70  194.554  1266.70  195.448  101.213   8.2111  100.422   8.3170 0.7907944 11.68741 
1 1 1   12   10   29 o  113.595   6.4742  1589.91  172.944  1866.10  244.488  1313.30  244.670  121.210   8.5978   99.855   10.536 21.35485 13.59851 
1 1 1   12   10   30 o   56.034   3.3247  376.334   43.794  420.600   61.911  332.000   61.958   58.899   4.4851   52.083   5.1033 6.815849 6.794109 
1 1 1   12   10   31 o   55.064   3.2460  363.621   42.020  358.800   59.247  368.500   59.604   54.252   4.6703   54.998   4.6327 -0.7467232 6.578262 
1 1 1   12   10   32 o   58.150   3.4219  406.608   46.781  408.200   65.986  405.000   66.331   57.729   4.8864   57.481   4.9348 0.2488136 6.944664 
1 1 1   12   10   33 o   21.783   1.8488   56.699   9.4199   57.100   13.341   56.300   13.303   21.725   2.6559   21.567   2.6690 0.1572151 3.765301 
1 1 1   12   10   34 o   25.448   1.9688   77.392   11.739   75.700   16.562   79.100   16.641   25.000   2.8567   25.574   2.8015 -0.5741425 4.001133 
1 1 1   12   10   35 f   17.836   1.6602   38.085   6.9121   45.100   9.8578   31.300   9.6946   19.332   2.1985   15.965   2.6655 3.366664 3.455206 
1 1 1   12   10   36 o   29.684   2.1077  105.621   14.677  119.600   20.778   91.700   20.736   31.414   2.8315   27.348   3.2761 4.066097 4.330103 
1 1 1   12   10   37 o   19.717   1.7657   46.661   8.1339   50.800   11.558   42.600   11.449   20.435   2.4436   18.630   2.6797 1.804611 3.626561 
1 1 1   12   10   38 o   28.118   2.0689   95.085   13.640   98.700   19.330   91.500   19.250   28.398   2.9244   27.294   3.0384 1.104116 4.217100 
1 1 1   12   10   39 o   22.343   1.8119   59.998   9.4773   65.600   13.466   54.500   13.340   23.193   2.4983   21.043   2.7505 2.149940 3.715700 
1 1 1   12   10   40 o   12.081   2.4123   18.200   6.6408   18.200   6.6408   0.0000   0.0000   12.081   2.4123  ?   ?  0.000000 2.412335 
1 1 1   12   10   41 o   5.2437   1.8796   2.8000   2.9553   2.8000   2.9553   0.0000   0.0000   5.2437   1.8796  ?   ?  0.000000 1.879571 
1 1 1   12   10   42 o   52.359   4.8074  357.800   58.775  357.800   58.775   0.0000   0.0000   52.359   4.8074  ?   ?  0.000000 4.807441 
1 1 1   12   10   43 o   20.655   2.6762   52.900   12.746   52.900   12.746   0.0000   0.0000   20.655   2.6762  ?   ?  0.000000 2.676235 
1 1 1   12   10   44 o   41.195   3.9912  219.900   38.338  219.900   38.338   0.0000   0.0000   41.195   3.9912  ?   ?  0.000000 3.991235 
1 1 1   12   10   45 o   47.353   4.5693  301.900   50.458  301.900   50.458   0.0000   0.0000   47.353   4.5693  ?   ?  0.000000 4.569304 
1 1 1   12   10   46 o   18.620   2.6511   43.800   11.327   43.800   11.327   0.0000   0.0000   18.620   2.6511  ?   ?  0.000000 2.651126 
1 1 1   12   10   47 o   7.6757   2.2422   7.4000   4.3185   7.4000   4.3185   0.0000   0.0000   7.6757   2.2422  ?   ?  0.000000 2.242182 
1 1 1   12   10   48 f   5.4133   1.9370   3.1000   3.1376   3.1000   3.1376   0.0000   0.0000   5.4133   1.9370  ?   ?  0.000000 1.937042 
1 1 1   12   10   49 o   5.9058   2.0185   4.0000   3.3826   4.0000   3.3826   0.0000   0.0000   5.9058   2.0185  ?   ?  0.000000 2.018520 
1 1 1   12   10   50 o   11.082   2.4436   16.100   6.2228   16.100   6.2228   0.0000   0.0000   11.082   2.4436  ?   ?  0.000000 2.443589 
1 1 1   12   10   51 o   6.7890   2.3628   5.6000   4.6435   5.6000   4.6435   0.0000   0.0000   6.7890   2.3628  ?   ?  0.000000 2.362827 
1 1 1   12   10   52 o   11.533   2.7087   18.700   7.2514   18.700   7.2514   0.0000   0.0000   11.533   2.7087  ?   ?  0.000000 2.708737 
1 1 1   12   10   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   10   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   11    0 o   3.8551   2.0663   2.5000   2.5825   2.5000   2.5825   2.5000   2.5825   3.8551   2.0663   3.8551   2.0663 0.000000 0.000000 
1 1 1   12   11    1 o  133.998   7.2132  2141.05  227.397  2119.70  321.610  2162.40  321.567  132.639   10.350  134.003   10.240 -1.364059 14.55957 
1 1 1   12   11    2 o  236.928   12.583  6789.28  701.474  7372.70  992.519  6207.00  991.549  244.383   17.311  223.143   18.999 21.23946 25.70260 
1 1 1   12   11    3 o  107.296   5.1801  1364.31  131.245  1693.40  186.017  1038.10  185.203  119.215   6.6341   92.919   8.5362 26.29609 10.81098 
1 1 1   12   11    4 o  165.159   8.8716  3265.47  344.724  3201.80  487.573  3329.10  487.454  162.330   12.824  165.639   12.556 -3.309402 17.94745 
1 1 1   12   11    5 o   84.875   4.6833  855.802   93.500  923.900  132.227  787.700  132.231   87.970   6.4095   81.102   6.9724 6.867455 9.470793 
1 1 1   12   11    6 o  125.008   6.7708  1862.94  199.122  1984.80  281.551  1741.00  281.651  128.500   9.3428  120.142   10.019 8.357765 13.69936 
1 1 1   12   11    7 o  283.681   15.474  9871.40  1032.66  9939.20  1459.89  9803.50  1460.90  279.107   22.338  277.010   22.529 2.096558 31.72596 
1 1 1   12   11    8 o  100.294   5.4890  1196.68  129.503  1234.30  183.066  1159.00  183.224  101.499   7.6953   98.285   7.9631 3.214485 11.07382 
1 1 1   12   11    9 o  104.888   5.6382  1309.21  139.133  1421.10  196.841  1197.50  196.688  108.933   7.7020   99.805   8.4245 9.127960 11.41459 
1 1 1   12   11   10 o  102.959   5.8545  1262.53  141.749  1379.90  200.012  1144.10  200.917  107.274   7.9524   97.442   8.8278 9.832634 11.88152 
1 1 1   12   11   11 o  314.788   17.385 12317.05  1287.26 13296.70  1820.41 11337.30  1820.50  319.645   24.300  292.329   26.666 27.31567 36.07732 
1 1 1   12   11   12 o   81.777   4.5381  794.763   87.289  830.500  123.421  759.000  123.468   83.353   6.3175   79.612   6.6279 3.740822 9.156465 
1 1 1   12   11   13 o   63.991   3.6479  486.150   54.893  526.100   77.631  446.200   77.631   66.425   4.9857   61.080   5.4393 5.344486 7.378526 
1 1 1   12   11   14 o  167.454   8.9593  3367.06  352.985  3711.60  499.257  3022.70  499.134  174.624   12.184  156.915   13.605 17.70883 18.26347 
1 1 1   12   11   15 o  158.447   8.4959  3012.14  316.717  3358.10  447.945  2666.30  447.866  166.257   11.480  147.462   12.995 18.79474 17.33950 
1 1 1   12   11   16 o   91.325   5.0308  992.573  108.071  1036.00  152.795  949.100  152.877   92.969   7.0116   88.894   7.3488 4.074715 10.15717 
1 1 1   12   11   17 o  151.627   8.2542  2760.57  294.423  2857.30  416.014  2663.50  416.742  153.044   11.598  147.539   12.067 5.505203 16.73703 
1 1 1   12   11   18 o   12.499   1.5918   18.755   4.5916   25.600   6.5152   12.000   6.4720   14.591   1.9390   9.9139   2.6942 4.677207 3.319391 
1 1 1   12   11   19 o  142.351   7.8071  2434.95  261.427  2517.80  369.161  2351.60  370.268  143.559   10.973  138.521   11.422 5.038712 15.83857 
1 1 1   12   11   20 o  146.513   8.1571  2587.37  281.091  2946.60  397.261  2227.20  397.784  155.164   10.912  133.930   12.731 21.23331 16.76739 
1 1 1   12   11   21 f  139.334   7.5821  2339.08  248.524  2428.90  351.400  2249.20  351.532  140.638   10.660  135.079   11.120 5.558792 15.40427 
1 1 1   12   11   22 o   61.864   3.5668  455.415   51.884  474.200   73.347  436.600   73.405   62.905   4.9785   60.301   5.2062 2.604088 7.203455 
1 1 1   12   11   23 o   96.685   5.2392  1119.34  119.169  1237.10  168.609  1001.80  168.452  101.080   7.1093   90.620   7.9525 10.46001 10.66694 
1 1 1   12   11   24 f   77.941   4.2245  725.576   77.459  805.200  109.664  646.300  109.425   81.740   5.7176   72.990   6.4138 8.749352 8.592312 
1 1 1   12   11   25 o   59.691   3.5263  425.144   49.484  488.100   69.928  362.000   70.033   63.731   4.6794   54.635   5.5032 9.095318 7.223717 
1 1 1   12   11   26 o   50.298   3.0754  301.697   36.351  318.500   51.261  284.700   51.557   51.456   4.2570   48.565   4.5488 2.891533 6.230036 
1 1 1   12   11   27 o   36.336   2.3823  157.229   20.328  154.400   28.643  160.100   28.855   35.842   3.4259   36.511   3.3853 -0.6692009 4.816361 
1 1 1   12   11   28 o   19.291   1.7601   44.424   7.9297   42.900   11.120   46.000   11.311   18.836   2.5670   19.526   2.5113 -0.6896763 3.591160 
1 1 1   12   11   29 o   32.213   2.2352  123.707   16.897  124.500   23.798  122.900   23.994   32.160   3.1753   31.941   3.2254 0.2190971 4.526135 
1 1 1   12   11   30 o  112.726   6.5604  1575.65  173.873  1738.80  245.558  1411.60  246.231  116.011   9.0350  103.235   10.236 12.77602 13.65281 
1 1 1   12   11   31 o   8.6939   1.6391   9.2460   3.2416   9.1000   4.5244   9.4000   4.6466   8.5931   2.2155   8.7319   2.2420 -0.1388073 3.151990 
1 1 1   12   11   32 o   59.045   3.4393  419.400   47.746  407.400   67.382  431.500   67.663   57.600   5.0038   59.349   4.8710 -1.749203 6.983176 
1 1 1   12   11   33 o   25.520   1.9742   77.798   11.804   80.400   16.700   75.200   16.686   25.800   2.7854   24.920   2.8891 0.8796520 4.013185 
1 1 1   12   11   34 o   70.584   4.0689  606.733   67.531  601.500   95.346  612.000   95.661   69.139   5.8964   69.769   5.8608 -0.6298370 8.313639 
1 1 1   12   11   35 o   16.219   1.6894   31.574   6.3751   36.300   9.0408   26.900   8.9910   17.300   2.2677   14.767   2.6771 2.533231 3.508460 
1 1 1   12   11   36 o   18.129   1.7495   39.451   7.3965   39.900   10.447   39.000   10.473   18.079   2.5154   17.860   2.5562 0.2181778 3.586287 
1 1 1   12   11   37 o   43.787   2.7090  231.981   27.872  264.500   39.459  199.600   39.375   46.330   3.6360   39.903   4.2439 6.426060 5.588505 
1 1 1   12   11   38 o   46.877   2.9074  267.492   32.025  300.400   45.295  234.600   45.284   49.086   3.9411   42.979   4.5303 6.107143 6.004626 
1 1 1   12   11   39 o   6.6161   1.7265   5.4154   2.7260   1.8000   3.9510   8.7000   3.7659   5.3048   2.1086   8.3632   1.9439 -3.058374 2.867859 
1 1 1   12   11   40 o   39.453   2.5232  188.946   23.384  221.800   33.097  156.200   33.042   42.337   3.3377   35.096   4.0622 7.241550 5.257528 
1 1 1   12   11   41 f   15.382   1.4164   28.393   5.0868   41.600   7.3898   16.500   7.0127   18.587   1.7026   11.441   2.6481 7.145782 3.148203 
1 1 1   12   11   42 f   53.720   4.9287  378.800   61.823  378.800   61.823   0.0000   0.0000   53.720   4.9287  ?   ?  0.000000 4.928661 
1 1 1   12   11   43 o   17.548   2.5777   38.300   10.363   38.300   10.363   0.0000   0.0000   17.548   2.5777  ?   ?  0.000000 2.577717 
1 1 1   12   11   44 o   16.805   2.5478   35.300   9.7932   35.300   9.7932   0.0000   0.0000   16.805   2.5478  ?   ?  0.000000 2.547762 
1 1 1   12   11   45 o   15.173   2.5344   29.000   8.7601   29.000   8.7601   0.0000   0.0000   15.173   2.5344  ?   ?  0.000000 2.534372 
1 1 1   12   11   46 o   19.565   2.6778   48.400   12.047   48.400   12.047   0.0000   0.0000   19.565   2.6778  ?   ?  0.000000 2.677814 
1 1 1   12   11   47 o   7.9149   2.2978   7.9000   4.5479   7.9000   4.5479   0.0000   0.0000   7.9149   2.2978  ?   ?  0.000000 2.297804 
1 1 1   12   11   48 o   11.608   2.5234   17.400   6.7196   17.400   6.7196   0.0000   0.0000   11.608   2.5234  ?   ?  0.000000 2.523399 
1 1 1   12   11   49 o   25.451   3.0486   84.700   17.957   84.700   17.957   0.0000   0.0000   25.451   3.0486  ?   ?  0.000000 3.048555 
1 1 1   12   11   50 o   7.2899   2.3243   6.7000   4.5107   6.7000   4.5107   0.0000   0.0000   7.2899   2.3243  ?   ?  0.000000 2.324342 
1 1 1   12   11   51 o   15.458   2.9030   33.000   10.208   33.000   10.208   0.0000   0.0000   15.458   2.9030  ?   ?  0.000000 2.903020 
1 1 1   12   11   52 o   17.792   3.0798   45.700   12.471   45.700   12.471   0.0000   0.0000   17.792   3.0798  ?   ?  0.000000 3.079771 
1 1 1   12   11   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   11   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   12    0 o   75.775   6.1841  693.200  108.959  693.200  108.959  693.200  108.959   75.775   6.1841   75.775   6.1841 -0.000000 0.000000 
1 1 1   12   12    1 o  142.339   7.8249  2420.37  261.995  2230.90  370.975  2608.90  370.060  135.651   11.696  147.057   10.731 -11.40649 15.87255 
1 1 1   12   12    2 o   39.048   2.4310  180.879   22.305  161.700   31.486  200.200   31.602   36.789   3.6735   41.014   3.2907 -4.225090 4.931841 
1 1 1   12   12    3 o  223.150   11.985  6019.89  629.205  5581.70  889.721  6458.30  889.940  211.799   17.959  228.757   16.588 -16.95769 24.44730 
1 1 1   12   12    4 o   45.134   2.6835  241.616   28.471  276.300   40.312  207.100   40.215   48.198   3.5673   41.624   4.1467 6.574722 5.469997 
1 1 1   12   12    5 o  136.309   7.3377  2217.79  235.312  2233.40  332.879  2202.20  332.684  136.041   10.442  135.062   10.514 0.9790497 14.81824 
1 1 1   12   12    6 o  168.793   8.8966  3413.74  353.349  3714.10  500.055  3114.20  499.370  174.991   12.177  159.726   13.363 15.26524 18.07898 
1 1 1   12   12    7 o  120.541   6.5231  1731.92  184.985  1845.00  261.587  1618.80  261.629  123.909   9.0018  115.868   9.6499 8.040344 13.19671 
1 1 1   12   12    8 o  223.916   11.873  6068.57  625.536  7021.40  884.864  5116.70  884.420  238.703   15.788  201.858   18.770 36.84555 24.52641 
1 1 1   12   12    9 o  105.242   5.3769  1317.24  133.178  1584.70  188.523  1050.80  188.162  115.194   6.9633   93.392   8.6297 21.80166 11.08875 
1 1 1   12   12   10 o  146.158   7.8419  2554.96  269.660  2480.20  381.266  2629.80  381.449  142.986   11.386  147.375   11.041 -4.389084 15.86062 
1 1 1   12   12   11 o  107.283   5.7608  1370.44  145.407  1552.20  205.697  1188.90  205.576  113.836   7.6974   99.311   8.8593 14.52552 11.73614 
1 1 1   12   12   12 o   75.302   4.1833  673.580   74.093  723.200  104.804  624.000  104.761   77.834   5.7428   72.198   6.2052 5.636620 8.454846 
1 1 1   12   12   13 o   78.543   4.3047  732.912   79.534  697.600  112.338  768.400  112.618   76.347   6.2871   80.200   5.9898 -3.852791 8.683649 
1 1 1   12   12   14 o   95.605   5.2295  1087.80  117.612  1228.60  166.330  947.000  166.327  101.319   6.9950   88.684   8.0295 12.63490 10.64907 
1 1 1   12   12   15 o   48.990   2.9331  284.846   33.775  305.600   47.769  264.100   47.761   50.637   4.0283   47.010   4.3518 3.627094 5.930013 
1 1 1   12   12   16 o  215.526   11.533  5648.40  584.815  5488.20  825.517  5809.80  828.597  209.037   16.868  215.445   16.411 -6.407806 23.53345 
1 1 1   12   12   17 o   30.976   2.1718  113.955   15.785  114.800   22.260  113.100   22.387   30.998   3.0819   30.760   3.1255 0.2379074 4.389380 
1 1 1   12   12   18 o  124.096   6.8802  1844.00  200.824  2008.60  283.752  1678.80  284.264  128.774   9.3963  117.341   10.366 11.43253 13.99064 
1 1 1   12   12   19 o  159.126   8.8575  3058.97  331.503  3260.80  468.102  2855.90  469.534  162.643   12.279  151.632   13.246 11.01115 18.06199 
1 1 1   12   12   20 o   82.642   4.6119  813.839   89.640  831.200  126.627  796.400  126.915   83.150   6.5008   81.343   6.6659 1.807198 9.311025 
1 1 1   12   12   21 o  106.425   5.7524  1355.91  144.026  1504.40  203.746  1207.60  203.621  111.496   7.7876   99.509   8.7547 11.98766 11.71711 
1 1 1   12   12   22 o   48.549   2.8900  280.170   32.981  305.400   46.670  255.000   46.615   50.556   3.9405   46.107   4.3323 4.449669 5.856320 
1 1 1   12   12   23 o   33.830   2.2782  136.049   18.093  136.900   25.606  135.200   25.570   33.818   3.2464   33.602   3.2637 0.2150993 4.603359 
1 1 1   12   12   24 o  107.733   5.8279  1398.96  147.708  1595.70  208.966  1202.50  208.815  114.181   7.7970   98.416   9.0880 15.76492 11.97431 
1 1 1   12   12   25 o  157.440   8.6999  3071.85  322.183  3373.80  455.709  2770.10  455.562  161.619   12.027  144.816   13.477 16.80222 18.06284 
1 1 1   12   12   26 o   63.453   3.5011  480.983   52.257  440.700   73.526  522.100   74.284   60.297   5.2153   65.786   4.8154 -5.488541 7.098398 
1 1 1   12   12   27 o   55.000   3.2805  361.559   42.411  370.200   59.777  352.800   60.183   55.331   4.6173   53.962   4.7723 1.368523 6.640360 
1 1 1   12   12   28 o   39.327   2.5534  184.492   23.584  188.500   33.180  180.400   33.529   39.559   3.5911   38.665   3.7181 0.8939171 5.169185 
1 1 1   12   12   29 o   67.971   3.8875  555.727   62.136  551.700   87.629  559.800   88.120   67.074   5.5834   67.572   5.5723 -0.4981232 7.888266 
1 1 1   12   12   30 o   33.979   2.3584  137.831   18.806  156.200   26.537  119.300   26.654   36.036   3.1502   31.343   3.6708 4.692827 4.837252 
1 1 1   12   12   31 o   51.114   3.0659  313.187   36.834  310.600   51.959  315.800   52.225   50.502   4.4010   50.932   4.3851 -0.4296684 6.212778 
1 1 1   12   12   32 o   18.086   1.7244   39.129   7.2756   42.400   10.323   35.900   10.256   18.729   2.3886   17.167   2.6124 1.561913 3.539747 
1 1 1   12   12   33 o   29.992   2.1625  107.527   15.212  117.500   21.485   97.500   21.542   31.201   2.9512   28.319   3.2823 2.882154 4.413951 
1 1 1   12   12   34 o   85.126   4.8681  895.487   97.450  870.700  137.642  920.400  137.990   81.828   7.1966   84.359   6.9901 -2.531075 10.03259 
1 1 1   12   12   35 o   35.105   2.3383  147.876   19.272  143.800   27.175  152.000   27.335   34.312   3.3988   35.312   3.3171 -1.000443 4.749199 
1 1 1   12   12   36 o   39.934   2.5633  192.270   24.044  209.600   34.032  175.000   33.974   41.333   3.5203   37.589   3.8836 3.744980 5.241638 
1 1 1   12   12   37 o   10.587   1.6502   13.650   3.9909   14.600   5.6440   12.700   5.6440   10.840   2.2773   10.087   2.4037 0.7528334 3.311166 
1 1 1   12   12   38 o   16.821   1.7341   34.091   6.7888   35.600   9.6286   32.600   9.5733   17.025   2.4670   16.248   2.5815 0.7767696 3.570748 
1 1 1   12   12   39 o   38.827   2.5419  182.905   23.176  197.900   32.770  167.900   32.782   39.918   3.5123   36.562   3.8551 3.356182 5.215164 
1 1 1   12   12   40 o   32.686   2.2756  129.255   17.455  146.900   24.682  111.600   24.688   34.532   3.0584   29.834   3.5756 4.698406 4.705207 
1 1 1   12   12   41 o   19.423   1.7508   45.460   7.9438   56.000   11.283   35.100   11.186   21.441   2.2627   16.725   2.9397 4.716478 3.709683 
1 1 1   12   12   42 o   27.925   2.0517   94.305   13.434  103.800   19.044   84.900   18.954   29.011   2.8153   26.076   3.1415 2.935783 4.218423 
1 1 1   12   12   43 o   7.0393   1.8814   6.1666   3.1873   0.3000   4.7159   11.100   4.3246   5.2103   2.2093   9.4251   2.0048 -4.214752 2.983303 
1 1 1   12   12   44 o   23.044   2.8029   66.500   14.938   66.500   14.938   0.0000   0.0000   23.044   2.8029  ?   ?  0.000000 2.802940 
1 1 1   12   12   45 o   9.0041   2.3035   10.300   4.9175   10.300   4.9175   0.0000   0.0000   9.0041   2.3035  ?   ?  0.000000 2.303483 
1 1 1   12   12   46 o   7.0603   2.2060   6.1000   4.0819   6.1000   4.0819   0.0000   0.0000   7.0603   2.2060  ?   ?  0.000000 2.206010 
1 1 1   12   12   47 o   27.563   3.1068   97.800   19.868   97.800   19.868   0.0000   0.0000   27.563   3.1068  ?   ?  0.000000 3.106774 
1 1 1   12   12   48 o   15.356   2.5752   30.200   9.0073   30.200   9.0073   0.0000   0.0000   15.356   2.5752  ?   ?  0.000000 2.575201 
1 1 1   12   12   49 o   24.132   2.9694   76.200   16.564   76.200   16.564   0.0000   0.0000   24.132   2.9694  ?   ?  0.000000 2.969428 
1 1 1   12   12   50 o   11.843   2.9088   19.200   8.0755   19.200   8.0755   0.0000   0.0000   11.843   2.9088  ?   ?  0.000000 2.908785 
1 1 1   12   12   51 o   24.358   3.2883   84.800   18.430   84.800   18.430   0.0000   0.0000   24.358   3.2883  ?   ?  0.000000 3.288302 
1 1 1   12   12   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   12   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   12   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13    0 o   8.3090   3.1917   11.100   5.9241   11.100   5.9241   11.100   5.9241   8.3090   3.1917   8.3090   3.1917 0.000000 0.000000 
1 1 1   12   13    1 o   56.897   3.2980  384.120   44.119  378.100   62.242  390.200   62.547   56.298   4.7256   57.205   4.6711 -0.9068146 6.644585 
1 1 1   12   13    2 o   67.032   3.6766  533.185   57.974  612.000   82.074  454.700   81.902   71.703   4.8763   61.648   5.6903 10.05466 7.493899 
1 1 1   12   13    3 o   42.962   2.6560  218.992   26.813  225.500   37.942  212.500   37.897   43.497   3.7301   42.203   3.8450 1.294487 5.356984 
1 1 1   12   13    4 o  109.690   5.2775  1426.70  136.696  1811.90  193.646  1044.10  192.990  123.280   6.6769   93.064   8.8901 30.21546 11.11823 
1 1 1   12   13    5 o   35.621   2.3421  150.589   19.591  159.800   27.722  141.400   27.690   36.617   3.2396   34.402   3.4553 2.214252 4.736419 
1 1 1   12   13    6 o  157.538   8.1152  2968.43  300.862  3399.10  425.913  2539.50  425.055  167.799   10.807  144.346   12.597 23.45226 16.59679 
1 1 1   12   13    7 o  229.786   11.386  6364.17  617.789  7571.80  874.898  5163.20  872.478  248.391   14.986  202.968   18.404 45.42296 23.73402 
1 1 1   12   13    8 o  127.417   7.0253  1938.03  210.557  2202.70  297.560  1672.60  297.987  135.310   9.3705  117.422   10.870 17.88850 14.35165 
1 1 1   12   13    9 o  169.112   8.8114  3429.05  350.653  3993.00  496.182  2866.40  495.614  181.522   11.637  152.815   13.886 28.70653 18.11757 
1 1 1   12   13   10 o  139.405   7.2136  2320.74  236.649  2736.50  334.897  1906.10  334.449  150.821   9.4512  125.192   11.440 25.62875 14.83886 
1 1 1   12   13   11 o   41.769   2.5515  206.987   25.045  231.900   35.464  182.200   35.374   44.141   3.4293   39.040   3.8889 5.100853 5.184891 
1 1 1   12   13   12 o  219.758   11.863  5859.21  613.336  6508.50  867.411  5210.00  867.365  229.088   16.138  203.498   18.244 25.59084 24.35705 
1 1 1   12   13   13 o  207.632   11.184  5220.74  546.306  5156.00  772.214  5285.60  772.973  203.582   16.197  206.267   15.995 -2.684540 22.76377 
1 1 1   12   13   14 o  134.805   7.2967  2173.69  231.408  2343.60  327.222  2003.70  327.298  139.211   10.021  128.383   10.899 10.82773 14.80610 
1 1 1   12   13   15 o  156.442   8.4468  2939.58  310.881  3078.90  439.612  2800.20  439.694  158.853   11.804  151.190   12.426 7.663193 17.13862 
1 1 1   12   13   16 o   58.691   3.4989  409.188   48.270  445.800   68.136  372.300   68.393   61.119   4.7586   55.748   5.2575 5.370800 7.091210 
1 1 1   12   13   17 f  209.030   11.316  5325.34  556.474  5270.50  785.500  5380.60  788.454  204.486   16.406  206.717   16.284 -2.230576 23.11541 
1 1 1   12   13   18 o  130.651   7.1933  2047.51  221.068  2147.70  312.241  1946.80  313.035  132.855   10.027  126.232   10.600 6.622795 14.59090 
1 1 1   12   13   19 o  166.484   9.2918  3361.27  363.829  3852.40  514.209  2868.90  514.854  176.480   12.418  150.835   14.639 25.64412 19.19698 
1 1 1   12   13   20 o  222.552   12.646  6162.14  661.851  6782.40  935.254  5539.90  936.746  228.349   17.477  203.766   19.715 24.58276 26.34636 
1 1 1   12   13   21 o   97.164   5.2831  1129.37  120.760  1253.90  170.834  1005.00  170.727  101.861   7.1476   90.852   8.0411 11.00898 10.75860 
1 1 1   12   13   22 f  107.933   5.6332  1397.58  143.074  1646.40  202.508  1149.60  202.167  116.522   7.3982   96.671   8.9581 19.85103 11.61814 
1 1 1   12   13   23 o   82.532   4.2759  813.644   83.046  981.000  117.623  647.300  117.267   90.303   5.5429   72.885   6.8956 17.41794 8.847163 
1 1 1   12   13   24 o   29.750   2.0753  105.268   14.488  114.700   20.524   95.900   20.454   30.968   2.8383   28.251   3.1180 2.716534 4.216368 
1 1 1   12   13   25 o   66.348   3.7983  526.461   59.261  542.400   83.778  510.500   83.837   66.936   5.3450   64.870   5.5257 2.065659 7.687791 
1 1 1   12   13   26 o   51.794   3.0064  319.964   36.611  349.600   51.852  290.500   51.701   53.919   4.1032   49.024   4.5169 4.894997 6.102361 
1 1 1   12   13   27 o   45.900   2.8790  251.529   31.046  283.100   43.851  219.800   43.961   48.501   3.8608   42.560   4.4396 5.941971 5.883506 
1 1 1   12   13   28 o   31.801   2.1895  120.526   16.342  116.800   23.037  124.300   23.185   31.141   3.1773   32.152   3.0919 -1.010332 4.433389 
1 1 1   12   13   29 f   43.247   2.6503  223.312   26.935  210.900   37.884  236.000   38.303   41.754   3.8870   44.236   3.7009 -2.481335 5.367065 
1 1 1   12   13   30 o   97.783   5.6773  1175.26  130.526  1253.20  184.166  1096.60  185.019   99.166   7.9311   92.140   8.6032 7.026001 11.70123 
1 1 1   12   13   31 o   63.271   3.6283  482.178   53.982  466.800   76.044  497.800   76.644   61.576   5.2810   63.668   5.1418 -2.091232 7.370677 
1 1 1   12   13   32 o   75.402   4.3299  691.725   76.770  697.100  108.315  686.300  108.826   74.553   6.2091   73.909   6.2955 0.6435547 8.842299 
1 1 1   12   13   33 o   34.854   2.3445  145.354   19.183  146.700   27.086  144.000   27.173   34.781   3.3389   34.445   3.3845 0.3366051 4.754310 
1 1 1   12   13   34 o   19.348   1.7935   44.849   8.1007   44.500   11.446   45.200   11.466   19.118   2.6031   19.275   2.5842 -0.1567135 3.668042 
1 1 1   12   13   35 o   15.008   1.7492   27.138   6.0825   32.300   8.5309   21.800   8.6747   16.289   2.2804   13.217   2.8624 3.072453 3.659706 
1 1 1   12   13   36 o   58.804   3.5288  423.685   48.774  443.800   68.916  403.500   69.037   59.145   4.9809   56.151   5.2683 2.993156 7.250086 
1 1 1   12   13   37 o   43.945   2.7579  234.228   28.473  228.900   40.186  239.600   40.349   42.810   4.0224   43.855   3.9383 -1.045044 5.629366 
1 1 1   12   13   38 o   32.204   2.2859  125.254   17.270  133.300   24.343  117.100   24.505   32.896   3.1731   30.703   3.4390 2.192787 4.679264 
1 1 1   12   13   39 o   30.268   2.1822  110.612   15.493  116.800   21.889  104.400   21.931   30.791   3.0506   29.012   3.2576 1.779898 4.462937 
1 1 1   12   13   40 o   15.737   1.6429   29.861   6.0152   42.700   8.5536   17.300   8.4606   18.779   1.9578   11.679   3.0388 7.099829 3.614838 
1 1 1   12   13   41 o   26.489   2.0361   84.758   12.638   93.900   17.866   75.600   17.881   27.632   2.7756   24.623   3.1473 3.009108 4.196363 
1 1 1   12   13   42 f   46.226   2.9311  263.522   31.829  306.700   45.002  220.300   45.025   49.085   3.9152   40.867   4.7545 8.217995 6.159060 
1 1 1   12   13   43 o   16.584   1.6948   33.310   6.5435   42.600   9.2997   24.200   9.2088   18.645   2.1517   13.761   2.9242 4.884651 3.630493 
1 1 1   12   13   44 o   6.7696   2.1471   5.5000   3.8528   5.5000   3.8528   0.0000   0.0000   6.7696   2.1471  ?   ?  0.000000 2.147058 
1 1 1   12   13   45 o   21.583   2.7556   58.800   13.723   58.800   13.723   0.0000   0.0000   21.583   2.7556  ?   ?  0.000000 2.755580 
1 1 1   12   13   46 o   19.099   2.6551   46.200   11.651   46.200   11.651   0.0000   0.0000   19.099   2.6551  ?   ?  0.000000 2.655088 
1 1 1   12   13   47 o   17.003   2.6230   36.800   10.193   36.800   10.193   0.0000   0.0000   17.003   2.6230  ?   ?  0.000000 2.623031 
1 1 1   12   13   48 o   21.316   2.7730   58.300   13.627   58.300   13.627   0.0000   0.0000   21.316   2.7730  ?   ?  0.000000 2.772973 
1 1 1   12   13   49 o   31.360   3.4872  133.500   25.386  133.500   25.386   0.0000   0.0000   31.360   3.4872  ?   ?  0.000000 3.487157 
1 1 1   12   13   50 o   8.3377   2.5203   9.2000   5.3826   9.2000   5.3826   0.0000   0.0000   8.3377   2.5203  ?   ?  0.000000 2.520288 
1 1 1   12   13   51 o   16.971   2.8565   40.100   11.041   40.100   11.041   0.0000   0.0000   16.971   2.8565  ?   ?  0.000000 2.856499 
1 1 1   12   13   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   13   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   14    0 o  201.318   15.726  4962.40  737.107  4962.40  737.107  4962.40  737.107  201.318   15.726  201.318   15.726 -0.000000 0.000000 
1 1 1   12   14    1 o   75.387   4.2102  674.951   74.649  669.500  105.578  680.400  105.561   74.852   6.0242   75.470   5.9721 -0.6183624 8.482800 
1 1 1   12   14    2 o  143.195   7.6965  2450.39  259.293  2487.30  366.761  2413.50  366.629  143.415   10.912  141.206   11.084 2.208435 15.55422 
1 1 1   12   14    3 o  148.319   7.9251  2630.35  276.560  2793.40  391.240  2467.50  390.991  152.003   10.974  142.577   11.717 9.426270 16.05337 
1 1 1   12   14    4 o   84.441   4.4939  846.942   89.284  967.300  126.402  727.100  126.131   90.063   5.9775   77.876   6.9314 12.18645 9.152836 
1 1 1   12   14    5 o  115.545   5.8854  1589.12  160.048  1857.30  226.694  1322.60  225.991  124.588   7.7438  104.733   9.2323 19.85509 12.05001 
1 1 1   12   14    6 o  100.755   4.8163  1203.11  114.590  1556.40  162.365  852.500  161.746  114.319   6.0361   84.119   8.2491 30.20016 10.22160 
1 1 1   12   14    7 f  185.704   9.5295  4142.97  416.476  4807.50  589.511  3480.80  588.463  198.824   12.622  168.026   14.989 30.79828 19.59512 
1 1 1   12   14    8 o   83.735   4.6540  833.388   91.660  873.800  129.565  792.900  129.688   85.490   6.4659   81.355   6.8135 4.135803 9.393198 
1 1 1   12   14    9 o  153.098   7.8457  2803.42  282.685  3247.80  400.199  2360.90  399.357  164.048   10.385  139.137   12.281 24.91170 16.08307 
1 1 1   12   14   10 o   54.020   2.8620  345.990   36.378  417.500   51.669  275.700   51.226   59.279   3.7099   48.021   4.5727 11.25844 5.888383 
1 1 1   12   14   11 o  111.052   6.0535  1469.84  158.145  1524.70  223.564  1414.90  223.738  112.617   8.4689  108.380   8.8188 4.236794 12.22681 
1 1 1   12   14   12 o  115.678   6.2143  1595.63  169.128  1762.90  239.235  1428.50  239.129  121.126   8.4165  108.728   9.4065 12.39837 12.62220 
1 1 1   12   14   13 o   22.061   1.8331   57.896   9.4630   54.500   13.374   61.300   13.391   21.297   2.7217   22.629   2.5505 -1.331465 3.729982 
1 1 1   12   14   14 o   83.320   4.6058  825.650   90.266  889.300  127.656  762.000  127.656   86.216   6.3143   79.674   6.8519 6.542252 9.317630 
1 1 1   12   14   15 o  103.242   5.7323  1270.97  139.199  1396.00  196.721  1145.60  196.994  107.785   7.7815   97.374   8.6577 10.41029 11.64073 
1 1 1   12   14   16 o  139.314   7.4015  2326.44  242.613  2242.90  342.263  2410.80  343.957  135.649   10.774  140.803   10.419 -5.153488 14.98770 
1 1 1   12   14   17 o  159.012   8.6313  3048.71  322.876  3067.00  455.909  3030.30  457.326  157.807   12.333  156.790   12.455 1.016220 17.52758 
1 1 1   12   14   18 o  146.880   7.7140  2595.34  266.613  2430.70  376.133  2761.60  377.969  140.581   11.430  150.249   10.724 -9.668106 15.67266 
1 1 1   12   14   19 o   91.961   5.0008  1009.08  108.186  970.700  152.751  1047.70  153.246   89.664   7.2772   93.246   7.0111 -3.581940 10.10513 
1 1 1   12   14   20 o  167.463   9.2498  3420.98  364.356  3999.00  515.173  2842.50  515.381  178.969   12.264  148.873   14.859 30.09685 19.26664 
1 1 1   12   14   21 o   26.812   1.9734   85.467   12.406   93.800   17.580   77.200   17.510   28.017   2.6903   25.353   2.9817 2.664801 4.016034 
1 1 1   12   14   22 o   81.981   4.5137  803.518   87.043  888.000  123.157  719.200  123.037   85.762   6.1216   76.917   6.8457 8.844948 9.183503 
1 1 1   12   14   23 o   46.515   2.7901  257.461   30.504  283.300   43.172  231.700   43.107   48.649   3.7879   43.890   4.2110 4.758896 5.663975 
1 1 1   12   14   24 o   52.707   3.1088  331.137   38.522  356.100   54.493  306.200   54.463   54.443   4.2731   50.381   4.6298 4.061928 6.300340 
1 1 1   12   14   25 o   46.026   2.7873  252.421   30.150  267.300   42.680  237.600   42.597   47.174   3.8654   44.407   4.1088 2.767021 5.641187 
1 1 1   12   14   26 o   7.2194   1.7027   6.4171   2.8557   4.2000   4.1561   8.4000   3.9305   6.3567   2.2341   8.2577   2.0300 -1.901073 3.018596 
1 1 1   12   14   27 o   48.458   2.8528  280.319   32.499  316.800   46.013  244.000   45.910   51.310   3.8251   44.851   4.3912 6.459072 5.823571 
1 1 1   12   14   28 o   46.573   2.8999  259.275   31.733  288.500   44.820  229.900   44.935   48.899   3.9144   43.477   4.4391 5.422298 5.918476 
1 1 1   12   14   29 o   50.020   3.1334  299.815   36.823  329.900   51.935  269.400   52.218   52.167   4.2530   46.943   4.7773 5.224110 6.396161 
1 1 1   12   14   30 o   32.478   2.2436  125.900   17.101  126.000   24.122  125.800   24.246   32.311   3.2039   32.280   3.2240 0.3018570E-01 4.545201 
1 1 1   12   14   31 o   15.763   1.7403   29.811   6.3698   33.800   8.9414   25.700   9.0767   16.701   2.3308   14.444   2.7618 2.256351 3.613923 
1 1 1   12   14   32 o   55.996   3.3151  377.689   43.639  375.900   61.532  379.500   61.900   55.290   4.7593   55.553   4.7648 -0.2630806 6.734534 
1 1 1   12   14   33 o   48.184   2.9717  279.441   33.647  287.800   47.469  271.000   47.699   48.455   4.1899   46.941   4.3528 1.513161 6.041688 
1 1 1   12   14   34 o   93.451   5.4673  1099.26  120.122  1122.90  169.493  1075.40  170.267   91.422   7.9298   89.116   8.1826 2.306183 11.39463 
1 1 1   12   14   35 o   8.7848   1.6776   9.4779   3.3532   3.7000   4.7331   15.300   4.7511   6.3443   2.3618   11.189   1.8638 -4.844561 3.008643 
1 1 1   12   14   36 o   44.315   2.6975  237.518   28.093  201.500   39.603  274.000   39.857   40.097   4.2473   47.179   3.6049 -7.081722 5.570933 
1 1 1   12   14   37 o   50.379   3.2500  311.081   38.456  362.400   54.264  259.300   54.507   53.658   4.3193   44.668   5.2690 8.989258 6.813123 
1 1 1   12   14   38 o   25.430   1.9770   77.870   11.779   74.500   16.584   81.300   16.733   24.593   2.9122   25.744   2.7976 -1.150755 4.038243 
1 1 1   12   14   39 o   9.5874   1.6970   11.286   3.7013   15.300   5.2434   7.3000   5.2255   11.123   2.0726   7.8395   2.5020 3.283318 3.248905 
1 1 1   12   14   40 o   13.041   1.6560   20.612   4.9846   26.800   7.1004   14.600   6.9991   14.800   2.0899   10.757   2.7460 4.042936 3.450829 
1 1 1   12   14   41 o   45.117   2.5914  247.993   27.492  334.500   38.995  162.500   38.766   52.019   3.1899   35.183   4.7906 16.83598 5.755489 
1 1 1   12   14   42 o   3.6236   1.4453   0.7937   1.8624   3.1000   2.9134  -0.8000   2.4219   5.3656   1.8713   3.4188   1.5142 1.946841 2.407222 
1 1 1   12   14   43 o   21.618   1.8688   56.682   9.4459   69.600   13.368   43.800   13.349   23.772   2.4150   18.515   3.1672 5.257305 3.982884 
1 1 1   12   14   44 o  ?   ?   -4.1000   0.7035  -4.1000   0.7035   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   12   14   45 o   26.710   3.0288   90.900   18.765   90.900   18.765   0.0000   0.0000   26.710   3.0288  ?   ?  0.000000 3.028846 
1 1 1   12   14   46 o   22.860   2.8359   66.500   14.979   66.500   14.979   0.0000   0.0000   22.860   2.8359  ?   ?  0.000000 2.835899 
1 1 1   12   14   47 o   15.125   2.5536   29.200   8.7952   29.200   8.7952   0.0000   0.0000   15.125   2.5536  ?   ?  0.000000 2.553558 
1 1 1   12   14   48 o   19.250   2.6955   47.600   11.917   47.600   11.917   0.0000   0.0000   19.250   2.6955  ?   ?  0.000000 2.695487 
1 1 1   12   14   49 f   9.1327   2.5769   11.000   5.7990   11.000   5.7990   0.0000   0.0000   9.1327   2.5769  ?   ?  0.000000 2.576886 
1 1 1   12   14   50 o   8.7101   2.8376   10.200   6.6982   10.200   6.6982   0.0000   0.0000   8.7101   2.8376  ?   ?  0.000000 2.837639 
1 1 1   12   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   14   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   14   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   15    0 o  147.689   11.523  2648.80  396.231  2648.80  396.231  2648.80  396.231  147.689   11.523  147.689   11.523 -0.000000 0.000000 
1 1 1   12   15    1 o   94.979   5.1344  1072.71  114.726  1153.30  162.340  992.300  162.154   98.194   7.0481   90.941   7.6213 7.253700 10.38080 
1 1 1   12   15    2 o   26.602   1.9282   84.043   12.030  102.600   17.063   65.700   16.964   29.359   2.4845   23.360   3.1562 5.999638 4.016770 
1 1 1   12   15    3 o  183.005   9.9431  4028.91  428.070  4137.00  604.520  3920.20  606.247  183.787   14.036  178.668   14.494 5.119171 20.17639 
1 1 1   12   15    4 o  159.301   8.5807  3040.77  321.590  3498.70  454.788  2582.80  454.805  169.987   11.396  145.217   13.415 24.76945 17.60179 
1 1 1   12   15    5 o  291.059   12.530 10262.03  861.154 13686.50  1221.43  6877.30  1214.32  333.906   15.491  231.005   22.549 102.9014 27.35725 
1 1 1   12   15    6 o   67.595   3.6139  542.175   57.475  643.800   81.413  441.200   81.152   73.558   4.7119   60.698   5.7297 12.85961 7.418322 
1 1 1   12   15    7 o   86.825   4.2677  892.805   87.499  1121.80  124.013  665.800  123.473   97.084   5.4313   74.446   7.1102 22.63702 8.947275 
1 1 1   12   15    8 o   54.952   2.9917  358.134   38.674  433.000   54.828  284.000   54.560   60.359   3.8671   48.715   4.8055 11.64388 6.168300 
1 1 1   12   15    9 o  321.175   17.380 12852.36  1313.22 15863.60  1857.89  9845.70  1856.47  350.774   22.549  267.779   29.869 82.99567 37.42473 
1 1 1   12   15   10 o  302.819   16.322 11372.43  1162.82 12439.40  1645.61 10308.40  1643.34  310.036   22.634  279.240   25.194 30.79663 33.86767 
1 1 1   12   15   11 o  125.226   6.4609  1870.72  190.401  2140.80  269.608  1602.00  268.929  133.474   8.5999  115.008   10.002 18.46603 13.19094 
1 1 1   12   15   12 o  274.706   15.003  9323.74  969.540 10297.40  1371.29  8350.50  1370.99  283.243   20.645  252.239   23.280 31.00459 31.11545 
1 1 1   12   15   13 o   45.187   2.7580  242.344   29.288  261.200   41.425  223.500   41.412   46.816   3.7794   43.242   4.1048 3.574112 5.579745 
1 1 1   12   15   14 o   81.210   4.5348  784.440   86.615  821.600  122.428  747.200  122.558   82.839   6.3060   78.916   6.6385 3.923172 9.156157 
1 1 1   12   15   15 o  189.796   10.352  4369.08  462.201  4421.50  652.516  4316.30  654.792  188.378   14.788  185.945   15.042 2.433121 21.09329 
1 1 1   12   15   16 o  192.262   10.695  4499.66  483.639  4892.80  683.399  4105.20  684.539  197.900   14.729  180.107   16.271 17.79323 21.94789 
1 1 1   12   15   17 o  104.601   5.7790  1307.33  142.188  1397.60  200.934  1216.80  201.235  107.601   7.9647  100.179   8.5899 7.422661 11.71419 
1 1 1   12   15   18 o  106.267   5.7406  1350.40  143.518  1313.40  202.549  1387.70  203.384  104.078   8.3108  107.067   8.1046 -2.988518 11.60837 
1 1 1   12   15   19 o  159.561   8.9227  3097.61  334.844  3324.40  473.009  2869.80  474.073  163.138   12.371  150.763   13.458 12.37509 18.27979 
1 1 1   12   15   20 o   93.592   5.2540  1048.58  115.647  1111.50  163.315  985.300  163.785   95.779   7.2753   89.977   7.7854 5.801392 10.65565 
1 1 1   12   15   21 o  120.276   6.5863  1746.51  186.349  1840.70  263.525  1652.30  263.549  122.230   9.1977  115.472   9.7568 6.758072 13.40870 
1 1 1   12   15   22 o   68.079   3.8085  553.073   60.979  614.400   86.292  491.900   86.183   71.463   5.1481   63.738   5.7893 7.724621 7.747189 
1 1 1   12   15   23 o   84.792   4.7181  862.845   94.095  852.000  133.039  873.700  133.101   83.534   6.8037   84.634   6.7152 -1.099380 9.559480 
1 1 1   12   15   24 o  143.615   7.9753  2549.33  269.399  2649.40  381.030  2449.30  380.944  143.192   11.362  137.105   11.884 6.087524 16.44166 
1 1 1   12   15   25 o   20.320   1.8001   49.254   8.5480   48.400   12.117   50.100   12.061   20.024   2.6258   20.389   2.5616 -0.3648472 3.668293 
1 1 1   12   15   26 o   35.432   2.3055  149.559   19.185  164.600   27.169  134.600   27.094   37.045   3.1353   33.406   3.4860 3.638695 4.688542 
1 1 1   12   15   27 o   54.418   3.1083  354.075   39.776  400.900   56.327  307.500   56.176   57.639   4.1665   50.257   4.7916 7.381542 6.349785 
1 1 1   12   15   28 o   52.515   3.0373  329.919   37.504  380.300   53.081  279.700   52.996   56.127   4.0319   47.875   4.7506 8.251884 6.230937 
1 1 1   12   15   29 o   33.081   2.1958  130.497   17.055  140.800   24.182  120.300   24.057   34.221   3.0237   31.559   3.2759 2.661850 4.458042 
1 1 1   12   15   30 f   9.0778   1.7444   10.095   3.6035   11.500   5.0187   8.6000   5.1772   9.6468   2.2453   8.4231   2.4534 1.223719 3.325752 
1 1 1   12   15   31 o   33.007   2.2325  130.135   17.298  122.700   24.357  137.700   24.569   31.828   3.2882   33.777   3.1155 -1.949425 4.529808 
1 1 1   12   15   32 o   27.021   2.0682   87.302   13.097   94.400   18.455   80.100   18.589   27.957   2.8346   25.663   3.1326 2.294571 4.224723 
1 1 1   12   15   33 o   50.713   3.0923  310.334   36.853  355.400   52.099  265.200   52.138   53.842   4.1292   46.133   4.8591 7.708817 6.376635 
1 1 1   12   15   34 f   7.5835   1.7025   7.1039   2.9741   2.8000   4.1386   11.700   4.2768   5.7745   2.1957   9.7465   1.9266 -3.972030 2.921101 
1 1 1   12   15   35 o   62.485   3.7276  479.796   54.750  489.200   77.239  470.300   77.619   61.850   5.3409   60.505   5.4926 1.345112 7.661209 
1 1 1   12   15   36 o   55.954   3.3491  383.346   44.047  373.800   62.117  393.000   62.469   54.162   4.9102   55.631   4.8025 -1.469238 6.868335 
1 1 1   12   15   37 o   24.982   1.9857   75.112   11.617   77.400   16.386   72.800   16.473   25.129   2.8096   24.324   2.9267 0.8047256 4.056964 
1 1 1   12   15   38 o   12.641   1.6969   19.392   4.9373   19.000   6.9150   19.800   7.0518   12.345   2.4586   12.608   2.4569 -0.2632608 3.475751 
1 1 1   12   15   39 o   14.956   1.7144   27.046   5.9453   26.900   8.2883   27.200   8.5328   14.736   2.4693   14.803   2.5320 -0.6728077E-01 3.536720 
1 1 1   12   15   40 f   6.0592   1.7016   4.5072   2.5349   5.0000   3.5593   4.0000   3.6110   6.5016   2.0638   6.0442   2.0848 0.4574389 2.933532 
1 1 1   12   15   41 o   17.562   1.7797   37.299   7.2785   37.100   10.275   37.500   10.312   17.291   2.5967   17.387   2.5908 -0.9634972E-01 3.668148 
1 1 1   12   15   42 o   51.678   3.1946  333.176   38.792  417.500   54.869  248.900   54.853   56.894   4.1117   42.361   5.6226 14.53365 6.965672 
1 1 1   12   15   43 o   22.585   2.7739   63.800   14.483   63.800   14.483   0.0000   0.0000   22.585   2.7739  ?   ?  0.000000 2.773859 
1 1 1   12   15   44 o   42.892   4.2025  245.300   42.018  245.300   42.018   0.0000   0.0000   42.892   4.2025  ?   ?  0.000000 4.202511 
1 1 1   12   15   45 o   15.802   2.5398   31.600   9.1559   31.600   9.1559   0.0000   0.0000   15.802   2.5398  ?   ?  0.000000 2.539780 
1 1 1   12   15   46 o   5.0926   1.9348   2.3000   3.2116   2.3000   3.2116   0.0000   0.0000   5.0926   1.9348  ?   ?  0.000000 1.934764 
1 1 1   12   15   47 o   9.3640   2.4156   11.300   5.3766   11.300   5.3766   0.0000   0.0000   9.3640   2.4156  ?   ?  0.000000 2.415622 
1 1 1   12   15   48 o   25.460   3.0389   84.900   17.909   84.900   17.909   0.0000   0.0000   25.460   3.0389  ?   ?  0.000000 3.038896 
1 1 1   12   15   49 o   9.5812   2.6760   12.300   6.2869   12.300   6.2869   0.0000   0.0000   9.5812   2.6760  ?   ?  0.000000 2.675967 
1 1 1   12   15   50 o   16.889   2.9669   39.600   11.401   39.600   11.401   0.0000   0.0000   16.889   2.9669  ?   ?  0.000000 2.966937 
1 1 1   12   15   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   15   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   15   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   16    0 o  165.174   12.880  3322.60  495.337  3322.60  495.337  3322.60  495.337  165.174   12.880  165.174   12.880 0.000000 0.000000 
1 1 1   12   16    1 o   70.551   3.9347  591.008   65.290  526.100   92.305  656.000   92.364   66.295   5.9600   74.179   5.3081 -7.884521 7.981121 
1 1 1   12   16    2 o  118.717   6.2148  1679.19  173.615  1880.70  245.782  1478.50  245.277  125.215   8.3605  110.694   9.4749 14.52139 12.63616 
1 1 1   12   16    3 o  113.293   5.8091  1527.89  154.884  1778.10  219.307  1278.90  218.773  121.891   7.6583  102.985   9.0894 18.90559 11.88557 
1 1 1   12   16    4 o  230.238   12.459  6438.95  674.839  6446.00  954.322  6431.90  954.411  227.004   17.950  226.739   17.973 0.2653351 25.40114 
1 1 1   12   16    5 o  132.596   6.8145  2097.50  212.645  1874.10  299.859  2323.50  301.598  124.476   10.294  138.990   9.2420 -14.51383 13.83408 
1 1 1   12   16    6 o  108.210   5.9613  1395.03  151.737  1530.10  214.447  1259.60  214.731  112.930   8.0954  102.209   8.9884 10.72161 12.09655 
1 1 1   12   16    7 o  157.378   7.5356  2953.21  280.042  3638.30  396.864  2273.80  395.218  173.863   9.7053  136.441   12.402 37.42220 15.74821 
1 1 1   12   16    8 o  173.630   8.8484  3618.00  361.582  4215.10  511.936  3023.60  510.775  186.351   11.693  156.783   13.942 29.56760 18.19634 
1 1 1   12   16    9 o  147.650   7.7660  2609.33  269.815  2873.70  381.916  2345.90  381.238  154.105   10.559  138.757   11.746 15.34851 15.79395 
1 1 1   12   16   10 o  133.877   6.5870  2133.55  208.236  2584.60  294.998  1685.60  293.984  146.702   8.5528  117.763   10.688 28.93859 13.68907 
1 1 1   12   16   11 o  192.803   8.8400  4456.75  402.466  5653.90  570.563  3271.20  567.793  215.885   11.231  162.291   14.985 53.59412 18.72690 
1 1 1   12   16   12 o  160.148   8.1544  3076.51  307.350  3619.80  435.157  2535.70  434.162  172.788   10.718  143.610   12.942 29.17744 16.80387 
1 1 1   12   16   13 o   55.159   3.2219  361.240   41.783  335.800   59.079  386.700   59.102   52.990   4.7727   56.940   4.4305 -3.950512 6.512122 
1 1 1   12   16   14 o  127.834   6.9853  1956.73  210.060  2000.90  296.625  1912.30  297.517  128.396   9.8587  125.409   10.133 2.987396 14.13778 
1 1 1   12   16   15 o   64.580   3.6739  495.633   55.793  490.000   78.788  501.300   79.020   63.992   5.2606   64.738   5.2133 -0.7462997 7.406262 
1 1 1   12   16   16 f   54.514   3.1780  353.019   40.732  446.200   57.614  259.900   57.595   61.213   4.0080   46.438   5.3501 14.77442 6.684886 
1 1 1   12   16   17 o  115.514   6.4510  1599.96  175.262  1749.40  247.602  1449.90  248.116  120.035   8.7967  108.869   9.7548 11.16568 13.13538 
1 1 1   12   16   18 o  220.085   12.516  6041.73  647.779  6498.00  915.218  5583.70  916.979  222.672   17.548  204.346   19.230 18.32594 26.03293 
1 1 1   12   16   19 o  139.502   7.6738  2356.44  251.814  2392.90  355.439  2319.70  356.803  138.830   10.931  136.536   11.164 2.293991 15.62444 
1 1 1   12   16   20 o   77.231   4.3866  712.449   79.669  801.400  112.606  623.300  112.731   81.562   5.8863   71.643   6.7429 9.918533 8.950689 
1 1 1   12   16   21 o   50.190   3.0719  299.945   36.232  321.700   51.128  278.000   51.351   51.798   4.2167   48.057   4.5805 3.740871 6.225928 
1 1 1   12   16   22 o   51.423   3.1051  315.099   37.528  336.900   53.013  293.200   53.131   52.969   4.2748   49.319   4.6159 3.649670 6.291283 
1 1 1   12   16   23 o  100.439   5.3139  1216.80  125.583  1445.80  177.758  988.600  177.445  108.707   6.9614   89.003   8.5482 19.70401 11.02415 
1 1 1   12   16   24 o   31.919   2.1890  121.285   16.400  126.100   23.230  116.500   23.155   32.424   3.0706   31.134   3.1949 1.290779 4.431231 
1 1 1   12   16   25 o  109.430   6.0499  1462.15  155.724  1572.70  220.276  1351.70  220.179  111.823   8.4035  103.054   9.1428 8.768547 12.41813 
1 1 1   12   16   26 o   40.444   2.5653  195.098   24.372  196.100   34.494  194.100   34.441   40.338   3.6612   40.127   3.6756 0.2111931 5.187877 
1 1 1   12   16   27 o  136.191   7.5580  2325.04  242.109  2661.20  342.524  1989.40  342.263  142.332   10.260  120.533   12.193 21.79932 15.93538 
1 1 1   12   16   28 o   75.233   4.2612  684.036   75.390  706.200  106.652  661.900  106.584   75.591   6.0250   73.051   6.2386 2.539993 8.672982 
1 1 1   12   16   29 o   32.418   2.1641  125.347   16.472  138.600   23.341  112.200   23.248   33.959   2.9398   30.455   3.2846 3.503246 4.408062 
1 1 1   12   16   30 o   49.373   2.7922  291.762   32.420  328.400   45.967  255.500   45.730   52.113   3.7607   45.767   4.2812 6.345890 5.698358 
1 1 1   12   16   31 f   70.167   4.1621  598.580   68.653  653.700   96.889  543.000   97.293   72.435   5.7109   65.568   6.3640 6.866768 8.550683 
1 1 1   12   16   32 o   74.143   4.3338  672.829   75.545  688.400  106.401  657.000  107.278   73.689   6.1716   71.801   6.3942 1.888115 8.886752 
1 1 1   12   16   33 o   62.594   3.5879  476.515   52.810  592.500   74.761  361.000   74.609   69.185   4.6024   53.020   6.0685 16.16560 7.616366 
1 1 1   12   16   34 o   42.897   2.7287  222.120   27.497  224.700   38.739  219.500   39.035   42.676   3.8868   42.137   3.9699 0.5393524 5.555835 
1 1 1   12   16   35 o   4.0337   1.4808   1.5360   1.8490   0.2000   2.2657   4.2000   3.1993   3.6698   1.5423   6.0333   1.9609 -2.363422 2.494785 
1 1 1   12   16   36 o   59.358   3.5786  434.275   49.925  440.500   70.461  428.000   70.748   58.493   5.1540   57.551   5.2643 0.9421501 7.367263 
1 1 1   12   16   37 o   13.115   1.7084   20.849   5.1651   20.800   7.2443   20.900   7.3662   12.933   2.4620   12.957   2.4981 -0.2365208E-01 3.507440 
1 1 1   12   16   38 o   7.5552   1.7438   7.0836   3.0479   7.6000   4.1845   6.5000   4.4482   7.8391   2.1809   7.3711   2.3028 0.4680667 3.171673 
1 1 1   12   16   39 o   15.582   1.7576   29.364   6.3541   34.300   8.9294   24.300   9.0439   16.720   2.3245   13.892   2.8525 2.828310 3.679650 
1 1 1   12   16   40 o   9.8103   1.7665   11.850   3.9418   15.100   5.5745   8.6000   5.5745   11.008   2.2211   8.3986   2.5704 2.609757 3.397086 
1 1 1   12   16   41 o   33.961   2.3767  140.508   18.940  171.000   26.759  109.900   26.810   37.106   3.0819   29.202   3.9927 7.904486 5.043764 
1 1 1   12   16   42 o   30.352   2.2305  112.305   15.874  121.100   22.380  103.400   22.520   31.088   3.0896   28.528   3.4107 2.560030 4.602015 
1 1 1   12   16   43 o   11.677   2.4872   17.300   6.6481   17.300   6.6481   0.0000   0.0000   11.677   2.4872  ?   ?  0.000000 2.487202 
1 1 1   12   16   44 o   19.820   2.6764   49.500   12.206   49.500   12.206   0.0000   0.0000   19.820   2.6764  ?   ?  0.000000 2.676433 
1 1 1   12   16   45 o   24.117   2.8932   74.000   16.148   74.000   16.148   0.0000   0.0000   24.117   2.8932  ?   ?  0.000000 2.893229 
1 1 1   12   16   46 o   17.854   2.6288   40.500   10.751   40.500   10.751   0.0000   0.0000   17.854   2.6288  ?   ?  0.000000 2.628838 
1 1 1   12   16   47 o   12.558   2.5013   20.300   7.1567   20.300   7.1567   0.0000   0.0000   12.558   2.5013  ?   ?  0.000000 2.501258 
1 1 1   12   16   48 o   10.506   2.6548   14.600   6.5886   14.600   6.5886   0.0000   0.0000   10.506   2.6548  ?   ?  0.000000 2.654762 
1 1 1   12   16   49 o   20.604   2.9450   57.400   13.921   57.400   13.921   0.0000   0.0000   20.604   2.9450  ?   ?  0.000000 2.945046 
1 1 1   12   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   16   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   16   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   16   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   17    0 o  108.854   8.5788  1433.40  217.364  1433.40  217.364  1433.40  217.364  108.854   8.5788  108.854   8.5788 0.000000 0.000000 
1 1 1   12   17    1 o  251.511   13.418  7716.90  794.031  8383.70  1123.60  7051.70  1122.25  258.487   18.531  235.523   20.380 22.96407 27.54517 
1 1 1   12   17    2 o  107.010   5.8028  1363.72  146.082  1428.30  206.637  1299.20  206.546  109.092   8.0789  103.927   8.4905 5.164200 11.72000 
1 1 1   12   17    3 o  128.606   6.3218  1966.24  191.984  2397.30  271.954  1538.00  271.060  141.453   8.1767  112.663   10.303 28.78946 13.15320 
1 1 1   12   17    4 o  103.446   5.6135  1274.06  136.609  1325.30  193.277  1222.90  193.113  105.103   7.8441  100.866   8.1782 4.236366 11.33196 
1 1 1   12   17    5 o   76.054   3.9856  686.711   71.329  800.200  101.093  574.200  100.657   81.961   5.2510   69.227   6.2240 12.73315 8.143190 
1 1 1   12   17    6 o  196.102   9.6130  4615.69  445.145  5712.70  630.371  3524.50  628.694  216.686   12.371  168.293   16.013 48.39288 20.23524 
1 1 1   12   17    7 o  186.695   9.8052  4198.85  430.754  3947.50  607.909  4452.30  610.455  178.899   14.515  190.511   13.660 -11.61200 19.93246 
1 1 1   12   17    8 o  238.705   11.682  6901.15  658.456  9171.00  932.497  4643.90  929.903  272.974   14.519  189.611   21.128 83.36311 25.63566 
1 1 1   12   17    9 o   27.178   1.9897   87.747   12.681  104.600   17.962   71.000   17.906   29.632   2.5931   24.290   3.1997 5.342615 4.118489 
1 1 1   12   17   10 o  122.188   5.8893  1774.93  169.922  2207.50  240.831  1346.10  239.785  135.766   7.5418  105.358   9.7486 30.40773 12.32532 
1 1 1   12   17   11 o  241.312   12.836  7126.99  728.770  8015.10  1031.28  6241.10  1029.99  252.275   17.418  220.296   20.019 31.97963 26.53572 
1 1 1   12   17   12 o  145.115   7.3508  2522.18  251.066  2999.90  355.536  2047.00  354.589  157.529   9.6037  129.235   11.748 28.29416 15.17361 
1 1 1   12   17   13 f   61.036   3.3380  442.302   47.927  522.000   67.885  363.100   67.674   66.202   4.3671   55.029   5.2725 11.17247 6.846211 
1 1 1   12   17   14 o  109.758   5.6903  1437.67  146.974  1763.90  208.084  1112.90  207.621  121.206   7.3044   95.627   9.3127 25.57891 11.83555 
1 1 1   12   17   15 o  113.038   6.3420  1529.96  168.601  1673.20  238.101  1385.90  238.775  117.546   8.6386  106.605   9.5878 10.94054 12.90549 
1 1 1   12   17   16 o  119.109   6.6843  1702.89  187.241  1968.80  264.608  1436.20  264.991  127.337   8.8552  108.029   10.521 19.30826 13.75195 
1 1 1   12   17   17 o   86.688   4.9096  897.390  100.087  1000.10  141.414  794.300  141.675   91.123   6.6172   80.917   7.4999 10.20629 10.00179 
1 1 1   12   17   18 o  139.249   7.7756  2349.24  254.654  2463.00  359.444  2234.60  360.829  140.899   10.888  133.779   11.535 7.119583 15.86198 
1 1 1   12   17   19 o  153.502   8.6792  2881.90  313.308  3229.10  442.738  2533.60  443.432  160.223   11.785  140.471   13.536 19.75293 17.94715 
1 1 1   12   17   20 o   69.012   3.8255  568.124   62.096  538.900   87.556  597.700   88.081   66.814   5.6012   70.458   5.3336 -3.643791 7.734367 
1 1 1   12   17   21 o   97.719   5.3205  1148.89  122.307  1279.00  173.043  1019.00  172.893  102.341   7.2065   90.872   8.1437 11.46930 10.87442 
1 1 1   12   17   22 o  117.011   6.3949  1664.10  176.026  1869.90  248.997  1458.50  248.880  122.631   8.6543  107.382   9.9275 15.24863 13.17009 
1 1 1   12   17   23 o   83.550   4.6696  839.697   91.759  895.600  129.770  783.800  129.762   85.583   6.4691   79.818   6.9542 5.764862 9.497865 
1 1 1   12   17   24 o   61.660   3.5631  455.050   51.658  455.700   73.031  454.400   73.080   61.277   5.0933   61.185   5.1047 0.9169388E-01 7.211102 
1 1 1   12   17   25 o   53.802   3.1832  346.147   40.261  342.300   56.915  350.000   56.961   53.145   4.5800   53.758   4.5294 -0.6131592 6.441403 
1 1 1   12   17   26 o   97.573   5.4725  1161.12  125.580  1225.50  177.571  1096.70  177.624   98.759   7.6747   93.029   8.1685 5.730103 11.20824 
1 1 1   12   17   27 o   36.424   2.2972  158.157   19.657  187.200   27.843  129.300   27.754   39.513   3.0067   32.659   3.6619 6.853825 4.738152 
1 1 1   12   17   28 o   60.563   3.4967  440.769   49.794  471.200   70.455  410.400   70.384   62.140   4.8397   57.817   5.2114 4.322670 7.112041 
1 1 1   12   17   29 o   57.439   3.2891  396.194   44.425  445.700   62.894  346.900   62.760   60.530   4.4311   53.117   5.0650 7.413063 6.729712 
1 1 1   12   17   30 o   31.801   2.1751  120.777   16.236  129.100   22.992  112.500   22.929   32.720   3.0096   30.473   3.2359 2.246098 4.419142 
1 1 1   12   17   31 o   82.916   4.6033  842.318   89.776  903.100  127.100  781.800  126.825   84.445   6.4221   78.094   6.9501 6.351463 9.462900 
1 1 1   12   17   32 o   57.754   3.4986  404.568   47.489  454.700   67.081  354.200   67.238   60.594   4.7255   53.032   5.4467 7.562656 7.210886 
1 1 1   12   17   33 o   84.273   7.4040  947.700  145.846  947.700  145.846   0.0000   0.0000   84.273   7.4040  ?   ?  0.000000 7.404028 
1 1 1   12   17   34 o   39.215   3.6788  189.600   33.668  189.600   33.668   0.0000   0.0000   39.215   3.6788  ?   ?  0.000000 3.678830 
1 1 1   12   17   35 o   9.8479   2.3734   12.100   5.4542   12.100   5.4542   0.0000   0.0000   9.8479   2.3734  ?   ?  0.000000 2.373352 
1 1 1   12   17   36 o   57.798   5.1837  432.000   69.996  432.000   69.996   0.0000   0.0000   57.798   5.1837  ?   ?  0.000000 5.183707 
1 1 1   12   17   37 o   41.136   2.6657  205.621   25.754  210.300   36.339  200.900   36.505   41.019   3.7947   40.015   3.9134 1.003517 5.451147 
1 1 1   12   17   38 o   32.564   2.2736  128.229   17.373  126.600   24.417  129.900   24.726   31.953   3.2826   32.372   3.2799 -0.4185619 4.640387 
1 1 1   12   17   39 o   48.984   3.1702  295.808   36.474  324.100   51.350  267.000   51.816   50.358   4.3614   45.205   4.9343 5.152519 6.585474 
1 1 1   12   17   40 o   20.599   1.9375   51.352   9.3136   63.300   13.064   39.000   13.282   22.727   2.4742   17.496   3.3367 5.231255 4.153906 
1 1 1   12   17   41 o   28.445   2.1639   98.329   14.426  129.200   20.375   67.300   20.427   32.390   2.6883   22.736   3.9482 9.654713 4.776477 
1 1 1   12   17   42 o   9.1423   1.8386   10.405   3.8315   16.600   5.3536   3.9000   5.4860   11.560   2.0356   6.6248   2.5259 4.935390 3.243994 
1 1 1   12   17   43 o   43.227   4.2164  248.300   42.491  248.300   42.491   0.0000   0.0000   43.227   4.2164  ?   ?  0.000000 4.216380 
1 1 1   12   17   44 o   6.8458   2.1460   5.7000   3.8592   5.7000   3.8592   0.0000   0.0000   6.8458   2.1460  ?   ?  0.000000 2.145976 
1 1 1   12   17   45 o   30.440   3.2736  119.700   23.161  119.700   23.161   0.0000   0.0000   30.440   3.2736  ?   ?  0.000000 3.273639 
1 1 1   12   17   46 o   18.983   2.6729   45.900   11.650   45.900   11.650   0.0000   0.0000   18.983   2.6729  ?   ?  0.000000 2.672867 
1 1 1   12   17   47 o   18.572   2.7771   44.600   11.805   44.600   11.805   0.0000   0.0000   18.572   2.7771  ?   ?  0.000000 2.777065 
1 1 1   12   17   48 o   17.070   2.7288   38.300   10.629   38.300   10.629   0.0000   0.0000   17.070   2.7288  ?   ?  0.000000 2.728796 
1 1 1   12   17   49 o   15.327   2.7457   31.800   9.5722   31.800   9.5722   0.0000   0.0000   15.327   2.7457  ?   ?  0.000000 2.745701 
1 1 1   12   17   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   17   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   17   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   18    0 o   41.447   3.8196  208.200   36.653  208.200   36.653  208.200   36.653   41.447   3.8196   41.447   3.8196 0.000000 0.000000 
1 1 1   12   18    1 o   75.294   4.0943  673.338   72.521  588.800  102.432  758.300  102.689   70.100   6.2538   79.740   5.4871 -9.639717 8.319700 
1 1 1   12   18    2 o   22.077   1.8572   57.992   9.5922   58.800   13.635   57.200   13.497   22.144   2.6610   21.834   2.6736 0.3096066 3.772151 
1 1 1   12   18    3 o  198.438   10.470  4754.48  488.883  5285.50  691.820  4224.80  690.950  207.363   14.214  184.293   16.037 23.06935 21.42987 
1 1 1   12   18    4 o   47.106   2.8322  263.317   31.357  294.800   44.368  231.900   44.322   49.758   3.8050   44.033   4.3182 5.724274 5.755411 
1 1 1   12   18    5 o  118.301   6.3540  1669.60  176.850  1768.00  250.232  1571.40  249.976  121.184   8.8047  114.065   9.3634 7.119331 12.85285 
1 1 1   12   18    6 o   76.761   4.2835  700.300   77.334  693.200  109.364  707.400  109.368   76.106   6.1376   76.897   6.0725 -0.7910309 8.633991 
1 1 1   12   18    7 o   75.337   3.9193  673.931   69.482  899.900   98.442  449.600   98.085   86.976   4.8119   61.042   6.9273 25.93318 8.434575 
1 1 1   12   18    8 o  182.784   9.6324  4027.85  414.286  4911.90  586.223  3145.80  585.557  200.557   12.440  158.654   15.842 41.90260 20.14216 
1 1 1   12   18    9 o   38.965   2.5298  180.246   23.151  226.500   32.724  133.900   32.756   43.637   3.1980   33.347   4.2570 10.29028 5.324394 
1 1 1   12   18   10 o   50.227   3.0022  299.494   35.444  353.100   50.129  245.900   50.123   54.456   3.9246   45.280   4.7590 9.176334 6.168551 
1 1 1   12   18   11 o  148.164   7.5946  2632.69  264.816  3055.40  374.914  2211.80  374.102  158.746   10.053  134.225   11.927 24.52074 15.59912 
1 1 1   12   18   12 o  133.555   7.1490  2137.83  224.643  2346.00  317.823  1930.00  317.562  139.059   9.7404  125.669   10.807 13.38989 14.54839 
1 1 1   12   18   13 o  106.476   5.2297  1348.05  131.489  1716.70  186.373  982.700  185.536  119.726   6.6179   89.914   8.8534 29.81233 11.05347 
1 1 1   12   18   14 o   90.666   5.0274  980.456  107.212  1024.30  151.525  936.500  151.717   92.248   7.0085   88.094   7.3607 4.153214 10.16368 
1 1 1   12   18   15 o  102.393   5.5077  1253.11  132.680  1190.20  187.213  1316.60  188.066   99.090   8.0712  104.373   7.6847 -5.282974 11.14442 
1 1 1   12   18   16 o  113.097   6.2650  1535.40  166.662  1577.70  235.135  1492.70  236.261  113.745   8.8234  110.494   9.1370 3.250687 12.70184 
1 1 1   12   18   17 o   80.728   4.4571  777.677   84.635  761.500  119.244  794.100  120.146   79.435   6.4118   81.152   6.3195 -1.717545 9.002666 
1 1 1   12   18   18 o  182.125   9.6456  4086.46  413.345  3785.10  583.079  4390.90  586.049  170.768   14.600  185.193   13.494 -14.42509 19.88096 
1 1 1   12   18   19 o  141.792   7.8586  2453.60  262.094  2497.50  370.023  2409.40  371.293  140.719   11.229  137.990   11.499 2.728653 16.07266 
1 1 1   12   18   20 o  139.199   7.7143  2371.28  252.579  2391.70  356.512  2350.70  357.894  137.270   11.093  135.949   11.250 1.320816 15.79928 
1 1 1   12   18   21 o  131.267   7.2494  2108.64  223.839  1983.90  316.543  2233.40  316.569  124.632   10.864  132.895   10.165 -8.262245 14.87821 
1 1 1   12   18   22 o   75.749   4.1463  687.703   73.883  791.600  104.585  584.200  104.387   80.838   5.5118   69.044   6.4784 11.79424 8.505862 
1 1 1   12   18   23 f   81.146   4.5485  792.685   86.804  763.800  122.727  821.600  122.792   78.790   6.6587   81.857   6.4036 -3.066818 9.238246 
1 1 1   12   18   24 o   33.478   2.2548  133.534   17.721  120.900   25.045  146.200   25.078   31.657   3.4038   34.908   3.0736 -3.250952 4.586208 
1 1 1   12   18   25 o   20.886   1.8320   52.064   8.9440   50.600   12.712   53.500   12.587   20.456   2.6974   21.063   2.5848 -0.6071587 3.735919 
1 1 1   12   18   26 f   78.086   4.4409  737.232   81.548  778.700  115.282  695.700  115.370   79.393   6.1983   74.797   6.5996 4.595551 9.053964 
1 1 1   12   18   27 o   40.000   2.5032  190.993   23.525  206.900   33.328  175.200   33.209   41.444   3.4366   38.041   3.7456 3.403469 5.083232 
1 1 1   12   18   28 o   8.8435   1.6246   9.5552   3.2676   9.1000   4.6480  10.0000   4.5945   8.5973   2.2598   8.9981   2.1843 -0.4008741 3.142923 
1 1 1   12   18   29 o   23.489   1.8625   65.860   10.246   72.100   14.536   59.700   14.443   24.471   2.5532   22.192   2.8198 2.279606 3.803930 
1 1 1   12   18   30 o   12.825   1.5759   19.786   4.6721   25.000   6.6490   14.700   6.5666   14.369   2.0150   10.886   2.5917 3.482551 3.282853 
1 1 1   12   18   31 o   18.095   1.6996   39.200   7.1769   42.400   10.232   36.100   10.069   18.710   2.3690   17.203   2.5566 1.507370 3.485410 
1 1 1   12   18   32 o   34.371   2.3172  141.701   18.697  141.400   26.496  142.000   26.387   34.051   3.3381   34.130   3.3159 -0.7979965E-01 4.705150 
1 1 1   12   18   33 f   18.887   1.7792   42.817   7.8415   41.700   11.176   43.900   11.005   18.456   2.6397   18.974   2.5184 -0.5183907 3.648344 
1 1 1   12   18   34 o   14.658   1.7836   25.962   6.0462   29.000   8.3422   22.600   8.7754   15.380   2.3734   13.439   2.8534 1.940744 3.711432 
1 1 1   12   18   35 o   18.869   1.7749   42.822   7.8155   41.500   10.942   44.200   11.167   18.384   2.5924   18.993   2.5547 -0.6089764 3.639675 
1 1 1   12   18   36 o   26.556   2.0482   84.950   12.745   78.800   18.024   91.100   18.024   25.253   3.0867   27.265   2.8412 -2.011370 4.195283 
1 1 1   12   18   37 o   16.943   1.7474   34.617   6.8905   29.800   9.6631   39.600   9.8281   15.464   2.7468   17.986   2.3719 -2.522036 3.629161 
1 1 1   12   18   38 o   30.872   2.2045  115.165   15.965  113.600   22.337  116.800   22.828   30.298   3.1690   30.714   3.1943 -0.4163532 4.499566 
1 1 1   12   18   39 o   2.8083   1.2189  -0.2415   1.4995  -1.1000   1.8505   1.4000   2.5588   2.8212   1.2804   4.3832   1.7107 -1.561980 2.136756 
1 1 1   12   18   40 o   16.881   1.7363   34.467   6.8224   31.600   9.5155   37.500   9.7869   15.914   2.6236   17.422   2.4463 -1.508218 3.587134 
1 1 1   12   18   41 o   4.4516   1.6002   2.0045   2.1435  -0.5000   2.6644   6.6000   3.6091   3.7040   1.6160   7.2872   2.0247 -3.583181 2.590587 
1 1 1   12   18   42 o   39.269   3.8564  199.800   35.299  199.800   35.299   0.0000   0.0000   39.269   3.8564  ?   ?  0.000000 3.856385 
1 1 1   12   18   43 o   22.753   2.8112   65.300   14.783   65.300   14.783   0.0000   0.0000   22.753   2.8112  ?   ?  0.000000 2.811195 
1 1 1   12   18   44 o   50.263   5.0079  357.100   58.647  357.100   58.647   0.0000   0.0000   50.263   5.0079  ?   ?  0.000000 5.007885 
1 1 1   12   18   45 o   36.325   3.7244  174.400   31.496  174.400   31.496   0.0000   0.0000   36.325   3.7244  ?   ?  0.000000 3.724446 
1 1 1   12   18   46 o   31.600   3.4102  131.300   25.043  131.300   25.043   0.0000   0.0000   31.600   3.4102  ?   ?  0.000000 3.410188 
1 1 1   12   18   47 o   14.898   2.7235   29.000   9.2277   29.000   9.2277   0.0000   0.0000   14.898   2.7235  ?   ?  0.000000 2.723487 
1 1 1   12   18   48 o   15.788   2.7763   33.300   9.9725   33.300   9.9725   0.0000   0.0000   15.788   2.7763  ?   ?  0.000000 2.776255 
1 1 1   12   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   18   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   18   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   18   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   19    0 o  107.200   8.4626  1391.10  211.150  1391.10  211.150  1391.10  211.150  107.200   8.4626  107.200   8.4626 0.000000 0.000000 
1 1 1   12   19    1 o   58.946   3.1680  412.218   43.934  323.400   61.965  502.000   62.301   51.958   5.1169   64.975   4.0813 -13.01647 6.545177 
1 1 1   12   19    2 o  160.453   8.6415  3091.99  326.207  2969.10  461.298  3214.90  461.353  155.726   12.654  162.313   12.125 -6.587280 17.52517 
1 1 1   12   19    3 o  109.577   5.9594  1431.56  153.621  1408.40  217.276  1454.70  217.228  108.125   8.5804  109.935   8.4322 -1.810135 12.03020 
1 1 1   12   19    4 o   30.093   2.1410  107.558   15.115   98.100   21.385  117.000   21.366   28.616   3.2207   31.318   2.9229 -2.701448 4.349281 
1 1 1   12   19    5 o  184.755   9.6573  4114.96  419.862  4582.00  594.307  3649.60  593.242  193.352   13.094  171.597   14.785 21.75516 19.74953 
1 1 1   12   19    6 o  135.457   7.0412  2193.82  224.445  2501.80  317.740  1887.10  317.088  143.997   9.3960  124.499   10.895 19.49828 14.38738 
1 1 1   12   19    7 o  180.919   8.4289  3922.06  360.095  4991.50  510.316  2861.50  508.194  202.938   10.687  151.856   14.342 51.08226 17.88574 
1 1 1   12   19    8 o   22.878   1.9718   62.306   10.548   74.000   14.821   50.300   15.016   24.887   2.5584   20.369   3.2299 4.518040 4.120358 
1 1 1   12   19    9 o   84.315   4.4443  845.432   88.172  994.900  124.869  696.800  124.519   91.262   5.8247   76.086   7.0094 15.17655 9.113659 
1 1 1   12   19   10 o   57.775   3.2577  396.355   44.263  459.000   62.695  334.100   62.499   62.066   4.3043   52.794   5.0759 9.272270 6.655251 
1 1 1   12   19   11 o  138.884   7.5722  2317.02  247.399  2776.80  349.829  1857.00  349.921  151.213   9.8511  122.562   12.255 28.65062 15.72346 
1 1 1   12   19   12 o  166.042   9.0425  3336.77  353.206  3937.70  499.479  2735.70  499.539  178.859   11.894  147.444   14.537 31.41512 18.78261 
1 1 1   12   19   13 o   84.859   4.7354  858.462   94.510  1000.70  133.629  716.100  133.687   91.335   6.2331   76.908   7.4549 14.42761 9.717359 
1 1 1   12   19   14 o   93.014   5.1557  1033.41  112.796  1198.40  159.488  868.300  159.548   99.773   6.8101   84.495   8.0955 15.27784 10.57901 
1 1 1   12   19   15 o   43.398   2.6635  223.765   27.163  261.300   38.457  186.400   38.371   46.811   3.5046   39.391   4.1894 7.419960 5.461989 
1 1 1   12   19   16 o   80.275   4.0608  767.753   76.725  633.600  107.970  904.600  109.049   72.405   6.3802   86.881   5.3413 -14.47613 8.320818 
1 1 1   12   19   17 o  105.651   5.8406  1341.93  145.146  1365.20  204.941  1318.50  205.596  105.624   8.2832  103.710   8.4692 1.914543 11.84642 
1 1 1   12   19   18 o  108.547   5.8240  1418.82  148.735  1349.30  209.772  1489.10  210.917  104.670   8.5622  110.190   8.1641 -5.520996 11.83059 
1 1 1   12   19   19 o   32.569   2.1349  126.099   16.328  112.800   22.922  139.800   23.265   30.654   3.2145   34.206   2.9079 -3.551975 4.334574 
1 1 1   12   19   20 o  100.933   5.5678  1230.13  132.188  1323.20  186.963  1137.10  186.921  103.669   7.6923   95.710   8.3544 7.958138 11.35634 
1 1 1   12   19   21 o   58.339   3.3989  406.451   46.620  407.300   65.890  405.600   65.971   58.063   4.8501   57.936   4.8673 0.1269493 6.871255 
1 1 1   12   19   22 o   75.814   4.2586  690.430   75.931  769.600  107.396  611.300  107.369   79.507   5.7593   70.508   6.5227 8.999458 8.701493 
1 1 1   12   19   23 o   67.033   3.8332  539.148   60.423  591.200   85.453  487.100   85.449   69.738   5.2272   63.050   5.8045 6.687820 7.811272 
1 1 1   12   19   24 o  111.958   6.2715  1539.82  165.135  1586.80  233.474  1492.80  233.600  111.465   8.9457  107.802   9.2667 3.662148 12.88008 
1 1 1   12   19   25 o   62.242   3.6007  465.048   52.695  493.200   74.524  436.900   74.520   63.629   5.0003   59.736   5.3392 3.893181 7.315024 
1 1 1   12   19   26 o   22.977   1.8725   62.987   10.071   65.000   14.289   61.000   14.197   23.225   2.6530   22.475   2.7312 0.7494850 3.807632 
1 1 1   12   19   27 o   40.119   2.5626  192.304   24.150  179.200   34.159  205.400   34.148   38.442   3.8133   41.252   3.5398 -2.809914 5.203035 
1 1 1   12   19   28 o   20.120   1.7740   48.365   8.3419   52.600   11.847   44.200   11.748   20.884   2.4488   19.075   2.6823 1.808458 3.631966 
1 1 1   12   19   29 o   32.677   2.2457  127.600   17.223  134.100   24.356  121.100   24.356   33.318   3.1325   31.605   3.3129 1.713552 4.559362 
1 1 1   12   19   30 o   37.635   2.4368  169.630   21.540  181.400   30.488  157.900   30.436   38.681   3.3716   35.993   3.6307 2.688328 4.954712 
1 1 1   12   19   31 o   40.948   2.5718  201.356   24.741  223.700   35.024  179.100   34.955   42.874   3.4897   38.175   3.9340 4.699291 5.258772 
1 1 1   12   19   32 f   46.485   2.8569  260.937   31.208  271.300   44.163  250.600   44.107   46.898   4.0270   44.976   4.2017 1.921726 5.819834 
1 1 1   12   19   33 o   70.823   4.0484  620.161   67.424  663.800   95.448  576.700   95.255   71.752   5.6798   66.385   6.1462 5.367271 8.368773 
1 1 1   12   19   34 o   48.830   2.9501  289.821   33.856  305.100   47.926  274.600   47.834   49.430   4.1442   46.727   4.3865 2.703014 6.034499 
1 1 1   12   19   35 f   47.202   3.0231  272.003   33.519  293.400   47.236  250.300   47.572   48.325   4.1805   44.324   4.6127 4.001579 6.225303 
1 1 1   12   19   36 o   27.213   2.0789   89.248   13.257   89.100   18.654   89.400   18.845   26.904   2.9866   26.940   3.0140 -0.3610420E-01 4.243130 
1 1 1   12   19   37 o   67.012   4.0191  563.747   63.304  562.500   89.420  565.000   89.630   64.765   5.9122   64.909   5.9126 -0.1441116 8.361412 
1 1 1   12   19   38 o   47.974   2.9568  282.086   33.332  272.200   46.989  292.100   47.291   46.148   4.3638   47.931   4.2214 -1.782902 6.071510 
1 1 1   12   19   39 o   36.290   2.4685  160.292   21.028  162.900   29.504  157.600   29.977   36.046   3.5109   35.374   3.6408 0.6722374 5.057811 
1 1 1   12   19   40 o   40.117   2.6182  197.269   24.666  193.900   34.724  200.700   35.044   38.980   3.8216   39.690   3.7850 -0.7099037 5.378753 
1 1 1   12   19   41 o   3.0637   1.2951   0.0836   1.6128   1.6000   1.8826  -4.1000   3.1270   4.0784   1.4947   3.1583   1.5066 0.9201624 2.122244 
1 1 1   12   19   42 o   3.3402   1.4013   0.2111   1.8652   2.9000   2.3041  -4.9000   3.1767   5.0288   1.6656   3.0495   1.4713 1.979287 2.222331 
1 1 1   12   19   43 o   14.929   2.5359   28.200   8.6195   28.200   8.6195   0.0000   0.0000   14.929   2.5359  ?   ?  0.000000 2.535857 
1 1 1   12   19   44 o   36.184   3.6889  172.100   31.078  172.100   31.078   0.0000   0.0000   36.184   3.6889  ?   ?  0.000000 3.688853 
1 1 1   12   19   45 o   15.023   2.6384   28.900   9.0183   28.900   9.0183   0.0000   0.0000   15.023   2.6384  ?   ?  0.000000 2.638394 
1 1 1   12   19   46 o   13.234   2.7747   22.900   8.3942   22.900   8.3942   0.0000   0.0000   13.234   2.7747  ?   ?  0.000000 2.774704 
1 1 1   12   19   47 o   24.300   3.0851   78.500   17.304   78.500   17.304   0.0000   0.0000   24.300   3.0851  ?   ?  0.000000 3.085081 
1 1 1   12   19   48 o   17.682   2.9037   42.500   11.703   42.500   11.703   0.0000   0.0000   17.682   2.9037  ?   ?  0.000000 2.903712 
1 1 1   12   19   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   19   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   19   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   19   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20    0 o   18.731   2.7778   44.100   11.492   44.100   11.492   44.100   11.492   18.731   2.7778   18.731   2.7778 0.000000 0.000000 
1 1 1   12   20    1 o  128.459   6.7985  1972.16  205.490  2138.20  290.948  1806.90  290.266  133.082   9.3171  122.024   10.166 11.05831 13.78989 
1 1 1   12   20    2 o  196.114   9.4457  4625.08  437.426  5708.50  619.638  3548.80  617.596  216.265   12.183  168.493   15.703 47.77217 19.87524 
1 1 1   12   20    3 o  103.036   5.5873  1265.35  135.435  1329.30  191.613  1201.50  191.454  105.163   7.7712   99.852   8.1920 5.310860 11.29155 
1 1 1   12   20    4 o  151.152   8.0024  2741.95  284.608  2934.10  402.922  2550.60  402.073  155.250   11.063  144.351   11.902 10.89845 16.24948 
1 1 1   12   20    5 o  117.481   6.1770  1647.68  170.758  1870.30  241.745  1426.00  241.233  124.666   8.2587  108.431   9.5178 16.23508 12.60141 
1 1 1   12   20    6 f   98.958   5.2923  1166.77  123.220  1269.90  174.452  1064.10  174.066  102.860   7.2283   93.952   7.9198 8.907761 10.72249 
1 1 1   12   20    7 o  119.863   5.4422  1708.00  154.036  2221.20  218.537  1201.30  217.148  136.431   6.7834   99.449   9.3569 36.98260 11.55709 
1 1 1   12   20    8 o  124.665   6.6161  1859.46  194.067  2086.10  274.661  1633.50  274.243  131.382   8.9058  115.782   10.133 15.59956 13.49018 
1 1 1   12   20    9 o  105.552   5.6072  1329.60  139.256  1459.10  197.167  1200.70  196.711  110.101   7.6308   99.606   8.4428 10.49489 11.38022 
1 1 1   12   20   10 o   45.368   2.7620  244.419   29.449  277.300   41.667  211.600   41.628   48.235   3.6861   42.019   4.2540 6.215332 5.628816 
1 1 1   12   20   11 o  184.870   10.253  4169.66  445.842  4918.80  630.258  3419.30  630.773  198.525   13.525  163.143   16.605 35.38268 21.41612 
1 1 1   12   20   12 o   92.786   5.1903  1028.24  113.264  1080.50  159.893  975.600  160.469   94.630   7.2097   89.771   7.6427 4.858719 10.50673 
1 1 1   12   20   13 o   45.580   3.9954  248.500   42.569  248.500   42.569   0.0000   0.0000   45.580   3.9954  ?   ?  0.000000 3.995446 
1 1 1   12   20   14 o  180.734   9.9840  4011.25  424.443  4219.60  600.039  3802.60  600.468  181.997   14.071  171.938   14.938 10.05975 20.52199 
1 1 1   12   20   15 o   82.683   4.6649  816.974   90.707  870.400  128.131  763.300  128.427   84.901   6.4391   79.335   6.9248 5.566368 9.455900 
1 1 1   12   20   16 o   74.117   4.1239  655.660   71.890  768.500  101.708  543.000  101.627   79.961   5.4186   66.864   6.5195 13.09691 8.477365 
1 1 1   12   20   17 o  110.479   5.9412  1471.41  154.424  1710.10  218.543  1233.40  218.235  118.230   7.8729   99.579   9.3919 18.65167 12.25528 
1 1 1   12   20   18 o   63.001   3.6108  473.660   53.493  453.300   75.577  494.100   75.725   61.258   5.2763   64.032   5.0491 -2.774742 7.302886 
1 1 1   12   20   19 o   37.838   2.4925  170.448   22.146  187.500   31.275  153.300   31.362   39.564   3.3801   35.675   3.7805 3.888885 5.071201 
1 1 1   12   20   20 o   82.472   4.5855  817.360   88.949  795.400  125.678  839.400  125.908   80.575   6.6652   82.866   6.4863 -2.290398 9.300315 
1 1 1   12   20   21 o  140.012   7.8281  2432.61  257.773  2637.40  364.540  2227.80  364.553  142.622   10.907  129.793   12.031 12.82899 16.23923 
1 1 1   12   20   22 o  116.726   6.4101  1671.34  176.005  1586.70  248.682  1756.30  249.138  111.219   9.5619  117.525   9.0469 -6.306030 13.16345 
1 1 1   12   20   23 o   64.003   3.6826  491.397   55.422  518.500   78.383  464.300   78.374   65.278   5.1262   61.635   5.4409 3.643143 7.475367 
1 1 1   12   20   24 o   19.592   1.7782   45.839   8.1374   42.200   11.491   49.500   11.525   18.650   2.6868   20.267   2.4585 -1.617517 3.641852 
1 1 1   12   20   25 o   26.357   2.0018   82.850   12.366   93.800   17.488   71.900   17.488   27.950   2.6826   24.357   3.1116 3.593456 4.108313 
1 1 1   12   20   26 o   10.571   1.6751   13.561   4.0420   12.900   5.7634   14.200   5.6703   10.214   2.4256   10.730   2.3066 -0.5157156 3.347245 
1 1 1   12   20   27 o   70.459   4.0401  600.407   66.937  608.200   94.623  592.600   94.705   70.066   5.7704   69.107   5.8587 0.9589767 8.223247 
1 1 1   12   20   28 o   34.933   2.3231  145.829   19.054  156.700   26.972  135.000   26.919   36.029   3.2038   33.355   3.4685 2.673374 4.721676 
1 1 1   12   20   29 o   53.690   3.1879  347.177   40.236  339.300   56.822  355.100   56.984   52.509   4.6300   53.772   4.5300 -1.262482 6.477509 
1 1 1   12   20   30 o   63.500   3.7005  490.091   55.248  511.200   78.150  469.000   78.115   63.973   5.2188   61.095   5.4726 2.877903 7.562099 
1 1 1   12   20   31 o   12.123   1.6150   17.754   4.5082   19.400   6.4684   16.200   6.2865   12.561   2.2640   11.431   2.4051 1.129664 3.303069 
1 1 1   12   20   32 o   24.739   2.0208   73.496   11.702   67.500   16.685   79.300   16.417   23.436   3.0904   25.524   2.7683 -2.087982 4.149006 
1 1 1   12   20   33 o   46.548   2.8779  262.796   31.478  248.200   44.510  277.400   44.524   44.523   4.2866   47.240   4.0299 -2.717319 5.883448 
1 1 1   12   20   34 o   50.546   3.0506  311.570   36.240  324.500   51.310  298.700   51.193   50.794   4.3189   48.585   4.5138 2.208981 6.247115 
1 1 1   12   20   35 o   31.853   2.1703  122.250   16.227  128.800   23.038  115.800   22.860   32.390   3.0479   30.636   3.2075 1.754599 4.424662 
1 1 1   12   20   36 o   25.866   1.9449   80.496   11.792   69.400   16.529   92.000   16.829   23.687   3.0241   27.460   2.6275 -3.773357 4.006058 
1 1 1   12   20   37 o   47.887   3.0130  281.043   33.896  289.500   47.815  272.500   48.059   47.729   4.2882   46.163   4.4645 1.566666 6.190418 
1 1 1   12   20   38 o   22.214   1.9046   59.533   9.8938   59.000   13.783   60.100   14.211   21.873   2.7278   22.058   2.7908 -0.1846542 3.902476 
1 1 1   12   20   39 o   63.705   3.9226  515.429   58.720  527.000   82.763  503.700   83.325   62.057   5.7120   60.361   5.9223 1.696274 8.227998 
1 1 1   12   20   40 o   12.595   1.7557   19.387   5.0800   20.600   6.9556   18.000   7.4369   12.826   2.3844   11.894   2.7086 0.9324417 3.608562 
1 1 1   12   20   41 o   29.004   2.2939  103.024   15.583  123.400   21.892   82.100   22.185   31.380   2.9907   25.053   3.8750 6.326649 4.894895 
1 1 1   12   20   42 o   14.860   1.7869   26.998   6.1442   32.600   8.6155   21.200   8.7649   16.173   2.3226   12.785   2.9614 3.387752 3.763521 
1 1 1   12   20   43 o   20.518   2.7168   53.200   12.839   53.200   12.839   0.0000   0.0000   20.518   2.7168  ?   ?  0.000000 2.716770 
1 1 1   12   20   44 o   9.9596   2.3897   12.700   5.5482   12.700   5.5482   0.0000   0.0000   9.9596   2.3897  ?   ?  0.000000 2.389659 
1 1 1   12   20   45 o   32.382   3.5571  138.700   26.751  138.700   26.751   0.0000   0.0000   32.382   3.5571  ?   ?  0.000000 3.557114 
1 1 1   12   20   46 o   28.446   3.3067  107.500   21.797  107.500   21.797   0.0000   0.0000   28.446   3.3067  ?   ?  0.000000 3.306722 
1 1 1   12   20   47 o   4.0010   1.8236  -2.1000   3.8060  -2.1000   3.8060   0.0000   0.0000   4.0010   1.8236  ?   ?  0.000000 1.823621 
1 1 1   12   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   20   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21    0 o  100.329   7.9529  1219.10  185.691  1219.10  185.691  1219.10  185.691  100.329   7.9529  100.329   7.9529 0.000000 0.000000 
1 1 1   12   21    1 o  109.705   5.7592  1435.66  148.672  1206.00  210.074  1666.10  210.434   99.754   9.0157  117.774   7.6074 -18.02000 11.79640 
1 1 1   12   21    2 o  176.430   9.5124  3762.47  394.837  3939.40  558.509  3585.70  558.258  178.576   13.341  169.928   14.038 8.648178 19.36651 
1 1 1   12   21    3 o  172.445   9.1824  3590.07  372.567  3825.50  527.316  3355.40  526.463  176.256   12.756  164.511   13.676 11.74527 18.70162 
1 1 1   12   21    4 o  101.760   5.2424  1233.86  125.542  1439.10  177.841  1030.00  177.247  109.568   6.9090   92.310   8.2174 17.25780 10.73593 
1 1 1   12   21    5 o   82.938   4.3723  818.216   85.327  960.700  120.855  676.600  120.487   89.663   5.7382   74.960   6.8837 14.70267 8.961744 
1 1 1   12   21    6 o   56.502   3.3269  379.295   44.193  423.800   62.466  334.700   62.530   59.595   4.4715   52.832   5.0747 6.763798 6.763615 
1 1 1   12   21    7 o  128.303   6.7269  1972.13  203.094  2214.80  287.588  1730.70  286.850  135.214   9.0596  118.997   10.310 16.21651 13.72504 
1 1 1   12   21    8 o   83.240   4.5625  825.258   89.338  892.500  126.430  758.200  126.257   86.257   6.2496   79.345   6.8045 6.911697 9.238944 
1 1 1   12   21    9 o   37.573   2.3782  167.621   20.991  197.000   29.726  138.400   29.647   40.671   3.1190   33.962   3.7599 6.709274 4.885184 
1 1 1   12   21   10 f   60.034   3.4577  428.534   48.810  473.500   69.039  383.600   69.015   62.940   4.6787   56.520   5.2303 6.419434 7.017581 
1 1 1   12   21   11 f  137.920   7.5428  2295.81  244.720  2308.70  345.224  2282.80  346.955  136.781   10.776  135.940   10.900 0.8411560 15.32739 
1 1 1   12   21   12 o  136.579   7.4813  2253.78  240.364  2707.20  339.897  1800.20  339.956  148.581   9.7417  119.749   12.192 28.83147 15.60622 
1 1 1   12   21   13 o   58.053   3.4592  401.204   47.205  454.200   66.661  347.900   66.854   61.594   4.6169   53.722   5.3409 7.871792 7.059787 
1 1 1   12   21   14 o   52.136   3.1339  323.459   38.403  339.000   54.207  307.800   54.413   53.189   4.3540   50.621   4.6024 2.568745 6.335629 
1 1 1   12   21   15 o  137.429   7.5246  2297.37  243.262  2718.70  344.059  1876.20  343.990  147.983   9.9031  121.301   12.174 26.68233 15.69294 
1 1 1   12   21   16 o   28.162   2.9566   95.100   19.368   95.100   19.368   0.0000   0.0000   28.162   2.9566  ?   ?  0.000000 2.956565 
1 1 1   12   21   17 o   74.809   4.2273  669.811   74.370  785.800  105.170  553.800  105.180   80.666   5.5551   67.290   6.7089 13.37666 8.710256 
1 1 1   12   21   18 o   58.916   3.4408  414.368   47.660  420.600   67.304  408.100   67.500   59.037   4.8713   58.123   4.9657 0.9142952 6.956183 
1 1 1   12   21   19 o   60.759   3.5490  441.245   50.697  470.900   71.643  411.500   71.751   62.438   4.8984   58.236   5.2749 4.202461 7.198524 
1 1 1   12   21   20 o   66.146   3.7802  524.091   58.800  565.600   83.164  482.600   83.147   68.300   5.1954   62.904   5.6582 5.395988 7.681599 
1 1 1   12   21   21 o   37.277   2.3649  165.521   20.709  147.900   29.222  183.300   29.352   35.019   3.5843   39.097   3.2075 -4.078289 4.809892 
1 1 1   12   21   22 o   47.365   2.8713  267.888   31.963  263.200   45.143  272.600   45.262   46.666   4.1396   47.516   4.0734 -0.8491592 5.807648 
1 1 1   12   21   23 o   25.823   1.9731   79.494   11.940   78.200   16.848   80.800   16.924   25.477   2.8494   25.908   2.8115 -0.4315186 4.002965 
1 1 1   12   21   24 o   5.5897   1.6205   3.7721   2.2633   4.7000   3.0914   2.7000   3.3228   6.2866   1.9121   5.3855   1.9839 0.9011755 2.755374 
1 1 1   12   21   25 o   85.870   4.8002  896.638   96.944  981.200  137.149  812.200  137.049   88.722   6.5935   80.192   7.3180 8.530273 9.850243 
1 1 1   12   21   26 o   36.187   2.3937  156.403   20.339  170.100   28.761  142.700   28.767   37.564   3.2751   34.304   3.6052 3.260700 4.870749 
1 1 1   12   21   27 o   62.354   3.6291  469.056   53.204  472.400   75.181  465.700   75.304   61.897   5.1916   61.429   5.2416 0.4681625 7.377489 
1 1 1   12   21   28 o   33.125   2.2665  131.200   17.622  139.200   24.921  123.200   24.921   33.933   3.1459   31.851   3.3643 2.082033 4.606008 
1 1 1   12   21   29 o   88.780   5.0821  977.544  106.098  973.700  149.935  981.400  150.156   86.308   7.4292   86.674   7.4077 -0.3656921 10.49127 
1 1 1   12   21   30 o   32.967   2.2364  130.266   17.307  150.200   24.496  110.400   24.455   35.218   2.9734   29.996   3.5194 5.221859 4.607279 
1 1 1   12   21   31 o   48.225   2.9404  281.479   33.324  301.900   47.152  261.100   47.103   49.405   4.0782   45.745   4.4154 3.659306 6.010645 
1 1 1   12   21   32 o   24.912   1.9357   74.460   11.297   78.800   16.052   70.200   15.903   25.442   2.7138   23.955   2.8683 1.487226 3.948658 
1 1 1   12   21   33 o   31.312   2.2081  118.054   16.222  101.500   22.944  134.600   22.938   28.611   3.4669   33.199   2.9569 -4.588863 4.556565 
1 1 1   12   21   34 o   19.914   1.8045   47.707   8.3933   45.700   11.889   49.700   11.851   19.272   2.6856   20.150   2.5474 -0.8787880 3.701588 
1 1 1   12   21   35 o   50.244   2.9584  308.102   34.945  336.200   49.551  280.300   49.289   51.743   4.0887   46.925   4.5035 4.818268 6.082735 
1 1 1   12   21   36 o   45.305   2.6906  249.568   28.656  276.700   40.663  222.800   40.389   47.131   3.6829   41.986   4.1271 5.145222 5.531473 
1 1 1   12   21   37 o   18.687   1.8073   42.128   7.8753   44.900   11.082   39.300   11.193   19.114   2.5165   17.794   2.7528 1.320772 3.729703 
1 1 1   12   21   38 o   52.658   3.2013  343.213   39.617  333.100   55.655  353.600   56.406   50.543   4.7177   52.177   4.6260 -1.633945 6.607313 
1 1 1   12   21   39 o   24.739   1.9758   74.108   11.446   71.200   15.944   77.200   16.442   23.917   2.8812   24.931   2.8437 -1.014891 4.048206 
1 1 1   12   21   40 o   41.124   2.6779  208.565   25.863  204.300   36.430  212.900   36.724   39.746   3.9331   40.631   3.8746 -0.8845024 5.521027 
1 1 1   12   21   41 o   9.9415   1.9162   12.327   4.3353   16.600   5.9243   7.4000   6.3611   11.483   2.2654   8.0204   2.7670 3.462234 3.576054 
1 1 1   12   21   42 o   17.708   1.8424   38.306   7.5911   42.500   10.605   33.900   10.870   18.415   2.5038   16.236   2.9438 2.179613 3.864549 
1 1 1   12   21   43 o   21.831   2.7993   60.400   14.098   60.400   14.098   0.0000   0.0000   21.831   2.7993  ?   ?  0.000000 2.799341 
1 1 1   12   21   44 o   33.602   3.6085  148.900   28.184  148.900   28.184   0.0000   0.0000   33.602   3.6085  ?   ?  0.000000 3.608513 
1 1 1   12   21   45 f   22.532   2.9246   65.600   15.194   65.600   15.194   0.0000   0.0000   22.532   2.9246  ?   ?  0.000000 2.924617 
1 1 1   12   21   46 f   11.355   2.6873   17.100   7.0933   17.100   7.0933   0.0000   0.0000   11.355   2.6873  ?   ?  0.000000 2.687267 
1 1 1   12   21   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   21   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   22    0 o   69.599   5.7143  585.800   92.458  585.800   92.458  585.800   92.458   69.599   5.7143   69.599   5.7143 0.000000 0.000000 
1 1 1   12   22    1 o  171.482   9.2912  3560.73  374.824  3599.50  530.230  3522.00  529.933  170.228   13.296  168.280   13.448 1.947983 18.91171 
1 1 1   12   22    2 o  124.526   6.5511  1856.74  191.958  1579.50  271.272  2134.80  271.670  113.671   10.215  132.861   8.7075 -19.18996 13.42291 
1 1 1   12   22    3 o   99.411   5.4179  1179.51  126.703  1110.30  179.135  1248.80  179.237   95.832   7.9888  101.804   7.5089 -5.971687 10.96375 
1 1 1   12   22    4 o  182.197   9.9142  4037.05  424.935  3978.70  600.953  4095.40  600.946  178.027   14.419  180.800   14.190 -2.773148 20.23026 
1 1 1   12   22    5 o   74.143   4.1420  654.222   72.228  680.700  102.199  627.800  102.092   75.355   5.7877   72.301   6.0350 3.053665 8.361708 
1 1 1   12   22    6 o   71.258   3.9632  604.157   66.423  660.800   94.014  547.700   93.860   74.300   5.3953   67.501   5.9494 6.798691 8.031446 
1 1 1   12   22    7 o  194.190   10.763  4625.79  491.590  5125.60  694.938  4125.20  695.487  201.224   14.728  178.753   16.669 22.47104 22.24329 
1 1 1   12   22    8 o  161.909   8.7658  3181.86  333.890  3315.20  472.441  3048.80  471.943  163.121   12.357  156.013   12.927 7.107452 17.88298 
1 1 1   12   22    9 o   41.236   2.3706  201.814   22.986  250.800   32.688  153.900   32.329   45.916   3.0319   35.803   3.8864 10.11383 4.929168 
1 1 1   12   22   10 o   43.925   2.7341  229.309   28.219  230.700   39.784  227.900   40.032   43.914   3.8764   43.637   3.9270 0.2769394 5.517967 
1 1 1   12   22   11 o  126.119   6.9872  1919.96  207.275  2063.10  292.867  1776.30  293.394  129.495   9.6468  119.669   10.488 9.826057 14.25019 
1 1 1   12   22   12 o   68.609   3.9016  561.195   62.950  560.400   88.756  562.000   89.296   68.224   5.5576   68.316   5.5842 -0.9191132E-01 7.878480 
1 1 1   12   22   13 f  110.024   6.1516  1458.88  159.184  1540.70  224.738  1376.50  225.502  112.032   8.5600  105.581   9.1349 6.450691 12.51875 
1 1 1   12   22   14 o   91.795   5.1633  1011.57  111.466  1213.10  157.570  809.700  157.703  100.002   6.7117   80.983   8.3674 19.01882 10.72663 
1 1 1   12   22   15 o  127.386   6.9336  1972.89  207.779  1902.40  293.192  2044.00  294.500  123.060   10.181  127.838   9.8312 -4.777702 14.15291 
1 1 1   12   22   16 o   91.274   5.2242  1003.30  112.131  1118.50  158.339  887.400  158.815   95.633   7.0616   84.687   8.0380 10.94582 10.69934 
1 1 1   12   22   17 o   96.768   5.2039  1128.65  118.475  1366.00  167.690  892.100  167.408  105.769   6.7493   84.544   8.5007 21.22491 10.85427 
1 1 1   12   22   18 o   84.872   4.2685  863.905   85.272  697.200  119.974  1034.10  121.223   75.294   6.8219   92.380   5.5833 -17.08585 8.815397 
1 1 1   12   22   19 o   31.743   3.1681  121.100   23.430  121.100   23.430   0.0000   0.0000   31.743   3.1681  ?   ?  0.000000 3.168057 
1 1 1   12   22   20 o  128.909   7.2061  2057.24  218.476  2140.10  309.000  1974.40  308.943  128.494   10.270  122.873   10.756 5.620972 14.87151 
1 1 1   12   22   21 o   46.751   2.8366  260.933   31.167  275.600   44.102  246.300   44.051   47.812   3.9414   45.121   4.1819 2.690102 5.746616 
1 1 1   12   22   22 o   64.438   3.6846  498.522   55.832  577.000   78.973  420.100   78.944   68.921   4.8841   58.408   5.8006 10.51328 7.582973 
1 1 1   12   22   23 o   14.414   1.7051   24.949   5.6911   31.600   8.0194   18.200   8.0778   16.179   2.1524   12.122   2.8670 4.057487 3.585042 
1 1 1   12   22   24 o   29.450   2.1235  103.458   14.668  112.300   20.734   94.600   20.753   30.557   2.9086   27.965   3.2004 2.592134 4.324685 
1 1 1   12   22   25 o   16.860   1.6720   34.007   6.5686   41.800   9.3155   26.300   9.2636   18.639   2.1563   14.617   2.7856 4.022377 3.522658 
1 1 1   12   22   26 o   36.942   2.3936  163.069   20.768  182.000   29.394  144.200   29.346   38.853   3.2332   34.445   3.6642 4.407669 4.886707 
1 1 1   12   22   27 o   10.005   1.6610   12.183   3.7867   11.400   5.3001   13.000   5.4120   9.5965   2.3562   10.252   2.2929 -0.6558619 3.287734 
1 1 1   12   22   28 o   69.021   4.0146  580.480   65.149  635.900   92.110  525.000   92.160   71.294   5.5142   64.311   6.1434 6.983055 8.255197 
1 1 1   12   22   29 o   27.809   2.0700   92.611   13.496  103.000   19.076   82.200   19.096   29.172   2.8038   25.933   3.1854 3.238930 4.243552 
1 1 1   12   22   30 o   42.787   2.7017  220.751   27.156  221.300   38.364  220.200   38.446   42.380   3.8764   42.265   3.8960 0.1150703 5.495950 
1 1 1   12   22   31 o   31.019   2.1961  115.606   15.982  122.300   22.592  108.900   22.611   31.658   3.0603   29.788   3.2682 1.869162 4.477380 
1 1 1   12   22   32 o   6.1532   1.6709   4.6544   2.4904   2.5000   3.5685   6.7000   3.4772   5.3934   2.0417   7.3634   1.9638 -1.970072 2.832858 
1 1 1   12   22   33 o   6.5064   1.7471   5.2194   2.7410   2.7000   4.0240   7.4000   3.7438   5.6741   2.1633   7.7261   2.0268 -2.051972 2.964424 
1 1 1   12   22   34 o   51.249   3.1576  321.681   38.027  341.100   53.736  302.200   53.821   51.899   4.4271   48.586   4.7520 3.313866 6.494649 
1 1 1   12   22   35 o   75.454   4.4482  722.007   78.904  743.700  111.698  700.400  111.476   73.833   6.4720   71.307   6.6989 2.525841 9.314663 
1 1 1   12   22   36 o   35.784   2.3603  155.026   19.832  161.000   28.223  149.200   27.874   36.025   3.3564   34.620   3.4558 1.405319 4.817482 
1 1 1   12   22   37 o   20.621   1.7820   51.228   8.5916   54.300   12.300   48.300   12.006   21.030   2.5274   19.784   2.6355 1.245621 3.651562 
1 1 1   12   22   38 f   21.927   1.8980   58.149   9.7304   58.100   13.635   58.200   13.890   21.651   2.7275   21.649   2.7814 0.1268387E-02 3.895618 
1 1 1   12   22   39 o   15.912   1.6895   30.680   6.2511   25.900   8.5036   36.300   9.2207   14.349   2.6056   17.138   2.3395 -2.788851 3.501796 
1 1 1   12   22   40 o   7.5794   1.8592   7.1931   3.3024   7.6000   4.2883   6.6000   5.1769   7.8050   2.2207   7.5017   2.4971 0.3033299 3.341759 
1 1 1   12   22   41 o   22.451   1.9896   61.557   10.438   70.700   14.639   52.100   14.888   23.780   2.6522   20.094   3.2485 3.686159 4.193688 
1 1 1   12   22   42 o   21.258   2.0332   55.437   10.082   68.700   14.085   41.500   14.438   23.427   2.5893   17.677   3.5818 5.750624 4.419664 
1 1 1   12   22   43 o   22.613   2.9994   65.500   15.621   65.500   15.621   0.0000   0.0000   22.613   2.9994  ?   ?  0.000000 2.999411 
1 1 1   12   22   44 o   16.016   2.7467   33.000   10.014   33.000   10.014   0.0000   0.0000   16.016   2.7467  ?   ?  0.000000 2.746652 
1 1 1   12   22   45 o   22.123   2.9651   63.900   15.100   63.900   15.100   0.0000   0.0000   22.123   2.9651  ?   ?  0.000000 2.965096 
1 1 1   12   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   22   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   22   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   22   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   22   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23    0 o  195.755   15.576  4776.40  709.503  4776.40  709.503  4776.40  709.503  195.755   15.576  195.755   15.576 0.000000 0.000000 
1 1 1   12   23    1 f   87.581   4.8336  914.991   99.577  877.300  140.807  952.700  140.839   85.258   7.0575   88.948   6.7559 -3.689697 9.769870 
1 1 1   12   23    2 o  208.030   11.410  5334.35  558.343  5122.90  789.440  5546.00  789.792  198.885   16.972  207.752   16.228 -8.867279 23.48188 
1 1 1   12   23    3 o   97.018   5.3035  1124.65  121.041  1066.70  171.099  1182.70  171.256   93.832   7.7926   98.959   7.3819 -5.127151 10.73390 
1 1 1   12   23    4 o   93.235   4.9301  1037.40  108.156  846.700  152.815  1228.80  153.096   83.494   7.8427  101.129   6.4446 -17.63508 10.15092 
1 1 1   12   23    5 o  101.376   5.1691  1227.52  123.329  1438.30  174.781  1018.50  174.048  109.312   6.8049   91.516   8.1390 17.79681 10.60892 
1 1 1   12   23    6 o   84.470   4.0577  847.327   80.937  1076.20  114.822  621.300  114.106   94.897   5.1432   71.647   6.8270 23.24951 8.547592 
1 1 1   12   23    7 o  129.656   6.5998  2021.36  201.396  2415.10  285.268  1630.10  284.367  140.881   8.6165  114.733   10.616 26.14758 13.67311 
1 1 1   12   23    8 o   61.982   3.5615  457.292   51.908  486.000   73.419  428.600   73.399   63.676   4.9210   59.708   5.2596 3.967823 7.202757 
1 1 1   12   23    9 o  111.512   5.6755  1491.30  148.952  1296.20  209.564  1690.50  211.753  102.851   8.7105  118.020   7.6392 -15.16897 11.58577 
1 1 1   12   23   10 o  178.218   9.4796  3907.84  397.502  3586.20  560.630  4233.00  563.688  166.393   14.411  182.130   13.196 -15.73758 19.54006 
1 1 1   12   23   11 o  110.630   6.1369  1474.95  159.689  1511.30  225.372  1438.30  226.301  110.884   8.6765  108.021   8.9525 2.863312 12.46713 
1 1 1   12   23   12 o   80.353   4.4500  772.290   84.106  922.500  118.988  622.300  118.901   87.466   5.7939   71.347   7.1538 16.11933 9.205757 
1 1 1   12   23   13 o  158.576   8.6516  3098.85  322.739  3757.60  456.579  2441.00  456.264  172.183   11.292  135.708   14.461 36.47498 18.34737 
1 1 1   12   23   14 o  122.598   6.7230  1827.39  193.888  1793.70  273.549  1861.40  274.855  119.568   9.7740  121.923   9.6251 -2.354340 13.71760 
1 1 1   12   23   15 o   71.386   4.1832  610.459   70.208  719.000   99.171  501.400   99.407   77.110   5.4821   63.936   6.6831 13.17416 8.643910 
1 1 1   12   23   16 o   80.337   4.5382  775.252   85.740  788.400  121.015  762.000  121.496   80.336   6.4332   78.911   6.5802 1.424820 9.202439 
1 1 1   12   23   17 o   42.457   2.6854  214.835   26.784  222.200   37.790  207.400   37.968   42.993   3.7601   41.493   3.9216 1.500416 5.433019 
1 1 1   12   23   18 f   78.759   4.5028  747.085   83.394  847.500  117.859  646.400  118.017   83.267   6.0351   72.227   7.0078 11.03941 9.248315 
1 1 1   12   23   19 o   48.880   2.9530  285.291   33.924  297.900   47.993  272.700   47.959   49.693   4.1273   47.481   4.3250 2.212837 5.978292 
1 1 1   12   23   20 o   83.701   4.4667  845.018   87.965  718.400  124.191  972.500  124.614   75.987   7.0000   89.095   5.9575 -13.10791 9.191923 
1 1 1   12   23   21 o   47.409   2.9017  268.614   32.329  261.200   45.764  276.000   45.677   46.438   4.2194   47.781   4.0877 -1.343216 5.874782 
1 1 1   12   23   22 o   24.790   2.0068   73.341   11.646   77.900   16.312   68.600   16.634   25.437   2.7600   23.802   3.0281 1.634937 4.097156 
1 1 1   12   23   23 o   60.703   3.4988  442.602   49.941  515.900   70.650  369.400   70.604   65.154   4.6221   54.727   5.5398 10.42736 7.214755 
1 1 1   12   23   24 o   37.598   2.4464  168.846   21.601  167.900   30.481  169.800   30.617   37.269   3.5048   37.482   3.4997 -0.2132759 4.952918 
1 1 1   12   23   25 o   10.303   1.6713   12.902   3.9270   13.100   5.5301   12.700   5.5774   10.293   2.3295   10.131   2.3730 0.1619663 3.325285 
1 1 1   12   23   26 f   34.711   2.3244  144.046   18.942  162.300   26.790  125.800   26.785   36.678   3.1229   32.141   3.5905 4.537449 4.758627 
1 1 1   12   23   27 f   76.996   4.3973  725.868   79.618  791.100  112.624  660.700  112.568   79.139   6.0730   71.768   6.7206 7.371475 9.058051 
1 1 1   12   23   28 o   13.644   1.6673   22.428   5.2601   25.700   7.4645   19.200   7.4135   14.514   2.2509   12.441   2.6070 2.073148 3.444266 
1 1 1   12   23   29 o   37.838   2.4730  172.144   21.975  165.900   31.062  178.400   31.092   36.766   3.6250   38.190   3.4861 -1.424583 5.029300 
1 1 1   12   23   30 o   13.638   1.6673   22.441   5.2577   16.700   7.4295   28.200   7.4416   11.553   2.7609   15.223   2.1283 -3.670029 3.486048 
1 1 1   12   23   31 o   15.462   1.6951   28.791   6.0873   27.300   8.5817   30.300   8.6361   14.873   2.5343   15.719   2.4030 -0.8454590 3.492416 
1 1 1   12   23   32 o   32.030   2.2372  123.599   16.815  125.200   23.789  122.000   23.770   31.912   3.2001   31.480   3.2441 0.4315414 4.556809 
1 1 1   12   23   33 o   49.134   3.0249  294.699   34.926  293.500   49.374  295.900   49.410   48.180   4.3879   48.389   4.3714 -0.2093544 6.193823 
1 1 1   12   23   34 o   48.219   2.9844  284.052   33.814  288.800   47.808  279.300   47.833   47.792   4.2817   46.933   4.3661 0.8586502 6.115180 
1 1 1   12   23   35 o   23.250   1.9013   65.087   10.347   71.200   14.649   59.000   14.618   24.125   2.6132   21.844   2.9061 2.281202 3.908227 
1 1 1   12   23   36 o   40.805   2.4869  202.071   23.849  226.800   33.850  177.700   33.605   42.760   3.3800   37.555   3.8436 5.204910 5.118340 
1 1 1   12   23   37 o   39.243   2.5110  187.728   23.147  206.300   32.798  169.300   32.671   40.592   3.4546   36.498   3.8488 4.093716 5.171791 
1 1 1   12   23   38 o   17.177   1.6840   35.662   6.7425   39.300   9.5855   32.100   9.4858   17.861   2.3281   16.032   2.5943 1.828909 3.485738 
1 1 1   12   23   39 o   16.103   1.7945   31.540   6.7075   34.900   9.3651   28.000   9.6115   16.755   2.4385   14.842   2.8460 1.913491 3.747853 
1 1 1   12   23   40 o   15.733   1.8215   30.229   6.6418   34.200   9.1972   25.900   9.6018   16.550   2.4255   14.176   2.9638 2.373626 3.829724 
1 1 1   12   23   41 o   18.074   1.7297   39.732   7.2924   30.900   10.039   49.600   10.611   15.529   2.8424   20.010   2.2868 -4.481062 3.648072 
1 1 1   12   23   42 o   26.746   3.1557   91.700   19.547   91.700   19.547   0.0000   0.0000   26.746   3.1557  ?   ?  0.000000 3.155732 
1 1 1   12   23   43 o   31.694   3.5124  131.800   25.846  131.800   25.846   0.0000   0.0000   31.694   3.5124  ?   ?  0.000000 3.512414 
1 1 1   12   23   44 o   11.682   2.7538   17.900   7.4725   17.900   7.4725   0.0000   0.0000   11.682   2.7538  ?   ?  0.000000 2.753791 
1 1 1   12   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   23   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24    0 o   9.0602   2.9193   12.300   5.5148   12.300   5.5148   12.300   5.5148   9.0602   2.9193   9.0602   2.9193 0.000000 0.000000 
1 1 1   12   24    1 o   99.801   5.4646  1192.42  128.292  1288.10  181.464  1096.80  181.400  103.124   7.5033   94.890   8.1755 8.234528 11.09681 
1 1 1   12   24    2 o  203.119   11.136  5110.46  532.099  5535.60  752.755  4685.90  752.250  206.969   15.515  188.663   17.070 18.30579 23.06775 
1 1 1   12   24    3 o  112.971   6.1783  1533.15  164.193  1531.30  232.243  1535.00  232.165  111.901   8.8616  112.043   8.8471 -0.1417923 12.52194 
1 1 1   12   24    4 o  117.386   6.4091  1657.74  176.982  1673.20  250.368  1642.30  250.214  116.822   9.1491  115.691   9.2360 1.130562 13.00035 
1 1 1   12   24    5 o  167.382   9.1393  3428.70  359.862  4119.50  508.994  2738.30  508.849  181.294   11.957  145.211   15.059 36.08307 19.22835 
1 1 1   12   24    6 o   44.595   2.7229  236.402   28.535  253.000   40.414  219.900   40.297   46.004   3.7529   42.825   4.0324 3.179764 5.508558 
1 1 1   12   24    7 o   32.300   2.2220  124.027   16.844  109.300   23.803  138.800   23.841   30.161   3.4015   34.091   2.9918 -3.929646 4.530025 
1 1 1   12   24    8 o  110.178   6.1018  1462.12  158.132  1726.40  223.581  1197.60  223.685  118.928   8.0080   98.148   9.7818 20.78030 12.64168 
1 1 1   12   24    9 o   11.985   1.6315   17.293   4.4971   14.200   6.2560   20.600   6.4692   10.736   2.5123   13.019   2.1816 -2.282557 3.327256 
1 1 1   12   24   10 o  104.862   5.5236  1322.35  136.292  1174.00  192.139  1472.60  193.359   97.612   8.4182  109.852   7.4989 -12.23970 11.27387 
1 1 1   12   24   11 f   72.179   4.1793  623.075   70.928  696.600  100.155  549.100  100.462   75.952   5.6243   67.152   6.4135 8.800690 8.530246 
1 1 1   12   24   12 o  123.144   6.7833  1844.43  196.490  1828.50  277.299  1860.50  278.461  120.712   9.8133  121.805   9.7634 -1.093315 13.84288 
1 1 1   12   24   13 o  101.839   5.7340  1253.73  137.330  1532.70  194.132  974.300  194.295  111.794   7.3957   87.931   9.5089 23.86290 12.04637 
1 1 1   12   24   14 o   49.151   2.9079  287.851   33.601  268.300   47.281  307.800   47.759   47.190   4.2899   50.627   4.0283 -3.436581 5.884745 
1 1 1   12   24   15 o   70.315   4.0613  592.681   67.145  614.400   94.675  570.700   95.244   71.090   5.6874   68.404   5.9559 2.685913 8.235288 
1 1 1   12   24   16 o   18.942   1.7418   42.820   7.7036   36.800   10.781   49.100   11.012   17.401   2.7122   20.214   2.3509 -2.813078 3.589267 
1 1 1   12   24   17 o   45.064   2.8648  242.408   30.327  263.800   42.732  220.700   43.047   46.809   3.9016   42.686   4.3306 4.123394 5.828935 
1 1 1   12   24   18 o   54.743   3.2401  358.383   41.698  353.900   58.857  362.900   59.082   54.035   4.6583   54.735   4.6142 -0.7002182 6.556696 
1 1 1   12   24   19 o   34.672   2.3151  143.283   18.845  157.900   26.667  128.700   26.635   36.267   3.1450   32.643   3.5106 3.623817 4.713310 
1 1 1   12   24   20 o   48.949   2.9244  286.348   33.647  323.200   47.618  249.600   47.551   51.773   3.9242   45.303   4.5047 6.470940 5.974251 
1 1 1   12   24   21 o   31.514   2.1865  118.427   16.171  127.000   22.900  109.900   22.838   32.501   3.0183   30.166   3.2579 2.334614 4.441136 
1 1 1   12   24   22 o   52.224   3.1194  326.745   38.293  332.600   54.175  320.900   54.132   52.314   4.4270   51.352   4.5098 0.9619331 6.319565 
1 1 1   12   24   23 o   40.730   2.6066  198.324   24.938  217.800   35.247  178.800   35.290   42.476   3.5466   38.350   3.9536 4.125542 5.311221 
1 1 1   12   24   24 o   78.854   4.4993  756.719   83.432  887.500  117.982  625.900  117.999   84.496   5.9511   70.048   7.2381 14.44781 9.370505 
1 1 1   12   24   25 o   32.085   2.2985  123.131   17.299  131.400   24.276  114.600   24.656   32.968   3.1570   30.693   3.4625 2.274920 4.685660 
1 1 1   12   24   26 o   62.182   3.6327  468.500   53.108  542.900   75.105  394.100   75.105   66.320   4.8290   55.929   5.7697 10.39096 7.523926 
1 1 1   12   24   27 o   13.467   1.6886   21.868   5.2519   18.400   7.4467   25.300   7.4080   12.167   2.6656   14.399   2.2527 -2.231594 3.489982 
1 1 1   12   24   28 o   25.579   1.9899   78.408   11.925   82.000   16.846   74.800   16.883   25.983   2.7893   24.762   2.9451 1.220474 4.056359 
1 1 1   12   24   29 o   26.225   1.9913   82.482   12.239   89.000   17.333   76.000   17.285   27.064   2.7504   24.920   2.9975 2.143499 4.068157 
1 1 1   12   24   30 o   31.181   2.2017  116.907   16.107  111.300   22.793  122.500   22.765   30.098   3.2591   31.654   3.0848 -1.555182 4.487497 
1 1 1   12   24   31 o   18.845   1.7754   42.699   7.8076   43.100   11.060   42.300   11.023   18.755   2.5644   18.572   2.5835 0.1828632 3.640152 
1 1 1   12   24   32 o   59.449   3.5344  435.571   49.392  471.900   69.879  399.300   69.823   60.724   4.9155   55.388   5.4075 5.335617 7.307711 
1 1 1   12   24   33 o   15.133   1.6921   27.633   5.9432   26.400   8.3479   28.900   8.4632   14.603   2.5113   15.318   2.4202 -0.7141027 3.487727 
1 1 1   12   24   34 o   15.314   1.7081   28.312   6.0714   31.500   8.5699   25.100   8.6026   16.021   2.3338   14.185   2.6661 1.835913 3.543305 
1 1 1   12   24   35 o   60.932   3.6653  462.105   52.493  467.700   74.200  456.500   74.272   59.648   5.3240   58.834   5.4066 0.8146095 7.587855 
1 1 1   12   24   36 o   30.945   2.1926  115.941   15.918  117.300   22.583  114.600   22.440   30.725   3.1574   30.357   3.1774 0.3680916 4.479440 
1 1 1   12   24   37 o   10.389   1.6670   13.227   3.9514   11.800   5.6421   14.600   5.5358   9.6725   2.4635   10.799   2.2442 -1.126388 3.332434 
1 1 1   12   24   38 o   7.8994   1.5986   7.7317   2.8795   9.8000   4.2017   5.9000   3.9540   8.8381   2.0526   6.9858   2.1693 1.852245 2.986474 
1 1 1   12   24   39 o   9.7120   1.7507   11.678   3.8673   12.100   5.3046   11.200   5.6501   9.7706   2.3316   9.3915   2.5026 0.3791046 3.420441 
1 1 1   12   24   40 o   21.377   1.9586   55.808   9.7770   62.100   13.661   49.200   13.999   22.266   2.6502   19.564   3.1361 2.701979 4.105911 
1 1 1   12   24   41 o   26.404   2.0565   85.319   12.721   97.600   18.205   73.600   17.784   27.845   2.8071   23.906   3.2333 3.938868 4.281805 
1 1 1   12   24   42 o   19.777   2.8753   50.000   13.035   50.000   13.035   0.0000   0.0000   19.777   2.8753  ?   ?  0.000000 2.875312 
1 1 1   12   24   43 o   20.510   2.8939   54.100   13.626   54.100   13.626   0.0000   0.0000   20.510   2.8939  ?   ?  0.000000 2.893912 
1 1 1   12   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   24   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25    0 o   52.192   4.5173  330.200   54.714  330.200   54.714  330.200   54.714   52.192   4.5173   52.192   4.5173 0.000000 0.000000 
1 1 1   12   25    1 o  139.381   7.4226  2356.19  243.417  2650.20  344.516  2063.10  343.973  146.273   10.035  128.042   11.499 18.23132 15.26204 
1 1 1   12   25    2 o  191.200   10.418  4538.87  468.590  4020.10  662.350  5058.70  663.023  173.875   16.323  197.698   14.299 -23.82332 21.70031 
1 1 1   12   25    3 o   53.105   3.1102  335.584   38.832  281.800   54.884  389.500   54.951   48.354   4.8731   57.072   4.1049 -8.717274 6.371618 
1 1 1   12   25    4 o   90.396   4.9604  978.821  105.479  1018.40  149.318  939.400  149.020   91.587   6.9562   87.839   7.2493 3.748383 10.04695 
1 1 1   12   25    5 o  195.765   10.315  4769.62  475.152  3882.00  671.260  5661.00  672.677  169.307   17.021  209.327   13.684 -40.02075 21.83937 
1 1 1   12   25    6 o   81.539   4.5859  795.709   87.940  817.100  124.196  774.200  124.536   82.096   6.4587   79.831   6.6674 2.265404 9.282664 
1 1 1   12   25    7 o  105.728   5.7997  1346.84  144.244  1318.90  203.399  1375.10  204.590  103.499   8.3948  105.763   8.2574 -2.264626 11.77529 
1 1 1   12   25    8 o   75.074   4.1546  673.711   73.366  640.200  103.314  707.800  104.200   72.669   6.0765   76.516   5.8105 -3.847122 8.407510 
1 1 1   12   25    9 o   66.217   3.8925  523.958   60.596  553.700   85.330  493.700   86.067   67.716   5.3808   63.809   5.7746 3.907307 7.892966 
1 1 1   12   25   10 o   76.726   4.3902  705.420   79.210  724.400  111.526  686.100  112.519   77.210   6.1686   75.043   6.4112 2.166687 8.896888 
1 1 1   12   25   11 o  134.707   6.8390  2211.53  216.827  1879.90  305.243  2549.30  308.058  121.407   10.759  142.902   9.1777 -21.49571 14.14148 
1 1 1   12   25   12 o  118.051   6.7560  1701.15  187.549  2033.50  264.997  1367.60  265.472  127.646   8.8462  102.983   11.092 24.66309 14.18730 
1 1 1   12   25   13 o   67.085   3.8851  538.893   61.282  568.600   86.531  509.000   86.801   68.480   5.3948   64.654   5.7453 3.825539 7.881190 
1 1 1   12   25   14 o   47.111   2.8240  264.607   31.271  246.700   44.050  282.800   44.401   45.220   4.1722   48.501   3.9101 -3.280529 5.718071 
1 1 1   12   25   15 o   24.712   1.9454   72.774   11.260   77.900   15.965   67.700   15.884   25.469   2.6955   23.690   2.9001 1.779726 3.959340 
1 1 1   12   25   16 o   23.056   1.9648   63.427   10.595   68.000   14.785   58.600   15.190   23.777   2.6802   21.994   3.0034 1.783094 4.025410 
1 1 1   12   25   17 o   68.786   3.9420  568.415   63.763  598.200   90.152  538.600   90.197   70.014   5.4971   66.283   5.8217 3.731140 8.006903 
1 1 1   12   25   18 o   79.617   4.5425  765.841   85.047  788.200  120.031  743.300  120.520   79.886   6.4171   77.435   6.6558 2.450249 9.245479 
1 1 1   12   25   19 o   95.010   5.1279  1097.57  114.620  948.700  161.864  1247.30  162.333   86.526   8.0130  100.147   6.9067 -13.62098 10.57877 
1 1 1   12   25   20 o   67.756   3.7343  551.949   59.518  626.900   84.369  477.700   83.973   71.721   5.0132   62.236   5.7800 9.485100 7.651146 
1 1 1   12   25   21 o  161.578   9.0209  3380.81  342.813  3895.50  485.302  2868.20  484.322  167.150   12.384  138.508   15.050 28.64127 19.49001 
1 1 1   12   25   22 o   15.813   1.6980   29.969   6.2411   32.600   8.8798   27.400   8.7737   16.394   2.3620   14.964   2.5759 1.429829 3.494871 
1 1 1   12   25   23 o   75.430   4.3055  690.950   76.371  703.400  108.004  678.500  108.004   75.046   6.1487   73.616   6.2729 1.429657 8.783799 
1 1 1   12   25   24 o   32.442   2.2381  125.799   17.040  129.900   24.102  121.700   24.095   32.776   3.1530   31.687   3.2671 1.088856 4.540388 
1 1 1   12   25   25 o   33.424   2.2793  133.699   17.883  138.100   25.293  129.300   25.287   33.753   3.2121   32.619   3.3296 1.134323 4.626464 
1 1 1   12   25   26 o   24.990   1.9618   74.746   11.483   73.100   16.221   76.400   16.260   24.527   2.8540   25.097   2.7910 -0.5694809 3.991853 
1 1 1   12   25   27 o   46.417   2.8671  260.052   31.272  280.700   44.223  239.400   44.228   47.773   3.9558   43.926   4.3199 3.847282 5.857405 
1 1 1   12   25   28 o   51.004   3.2117  316.260   38.483  341.400   54.200  290.700   54.650   52.337   4.4271   47.992   4.8907 4.345425 6.596803 
1 1 1   12   25   29 f   18.524   1.7999   41.248   7.7736   45.000   10.925   37.400   11.064   19.213   2.4647   17.410   2.7851 1.803595 3.719080 
1 1 1   12   25   30 o   15.838   1.7223   30.222   6.3373   39.700   8.9518   20.700   8.9729   18.093   2.1365   12.819   3.0148 5.273932 3.695080 
1 1 1   12   25   31 o   26.673   1.9948   85.522   12.473   95.400   17.757   75.900   17.524   27.973   2.7227   24.818   3.0548 3.155672 4.092037 
1 1 1   12   25   32 o   24.396   1.9541   71.605   11.163   72.900   15.756   70.300   15.818   24.389   2.7858   23.922   2.8568 0.4666519 3.990211 
1 1 1   12   25   33 o   50.240   3.0922  309.009   36.505  325.200   51.612  292.800   51.642   50.678   4.3552   47.866   4.6265 2.811253 6.353931 
1 1 1   12   25   34 o   48.433   2.9958  287.146   34.094  283.400   48.188  290.900   48.243   47.189   4.3742   47.858   4.3153 -0.6694260 6.144589 
1 1 1   12   25   35 o   27.230   2.0530   89.550   13.104   96.200   18.531   82.900   18.531   27.948   2.8477   25.826   3.1007 2.122526 4.209963 
1 1 1   12   25   36 o   14.907   1.7612   26.969   6.0799   25.200   8.7788   28.600   8.4284   14.148   2.7266   15.181   2.4333 -1.033792 3.654510 
1 1 1   12   25   37 o   24.090   1.9125   70.254   10.790   75.600   15.326   65.000   15.193   24.717   2.6682   22.812   2.8849 1.905619 3.929633 
1 1 1   12   25   38 o   11.574   1.7361   16.434   4.5983   13.900   6.1276   19.700   6.9571   10.456   2.5130   12.501   2.4445 -2.044925 3.505794 
1 1 1   12   25   39 o   26.589   2.1237   86.457   13.223   89.500   18.389   83.200   19.027   26.628   2.9755   25.520   3.2296 1.107426 4.391307 
1 1 1   12   25   40 o   21.398   1.9495   55.940   9.7426   59.300   13.904   52.700   13.655   21.676   2.7806   20.348   2.9261 1.328125 4.036557 
1 1 1   12   25   41 o   45.825   3.0226  265.873   32.523  294.300   45.936  237.300   46.053   46.798   4.2016   41.234   4.8208 5.563866 6.394762 
1 1 1   12   25   42 o   22.489   3.0507   65.200   15.783   65.200   15.783   0.0000   0.0000   22.489   3.0507  ?   ?  0.000000 3.050748 
1 1 1   12   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   25   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26    0 f   74.945   6.1298  682.800  106.812  682.800  106.812  682.800  106.812   74.945   6.1298   74.945   6.1298 0.000000 0.000000 
1 1 1   12   26    1 o   98.096   5.2263  1155.82  120.626  1012.30  170.364  1300.10  170.818   90.728   8.0351  103.357   7.0409 -12.62927 10.68347 
1 1 1   12   26    2 o  109.238   5.8148  1438.34  149.452  1651.90  211.536  1225.50  211.178  116.185   7.7549   99.328   9.1049 16.85655 11.95979 
1 1 1   12   26    3 o   73.318   4.1377  642.602   71.344  619.000  100.900  666.200  100.891   71.459   6.0361   74.223   5.8026 -2.763496 8.372825 
1 1 1   12   26    4 o   38.234   2.4752  173.900   22.227  188.200   31.434  159.600   31.434   39.656   3.3894   36.443   3.7043 3.212479 5.020929 
1 1 1   12   26    5 o  104.633   5.7341  1320.72  141.137  1243.10  199.499  1398.50  199.697  100.231   8.5094  106.631   7.9890 -6.400032 11.67194 
1 1 1   12   26    6 o  134.076   7.4370  2198.18  234.531  2493.70  331.634  1902.50  331.722  140.884   10.034  121.672   11.690 19.21148 15.40556 
1 1 1   12   26    7 o  115.936   6.0498  1626.65  165.048  1467.40  232.257  1789.10  234.586  108.404   9.1589  120.330   8.3068 -11.92521 12.36483 
1 1 1   12   26    8 o   20.044   1.7733   47.900   8.3065   42.200   11.600   53.900   11.901   18.671   2.7102   21.191   2.4218 -2.519941 3.634586 
1 1 1   12   26    9 o   80.924   4.4790  785.728   85.256  752.400  120.263  819.400  120.881   78.474   6.5498   82.020   6.2892 -3.545654 9.080451 
1 1 1   12   26   10 o   32.291   2.1830  124.082   16.548  110.900   23.214  137.700   23.595   30.359   3.2908   33.918   2.9760 -3.558998 4.436905 
1 1 1   12   26   11 o   60.736   3.2867  440.246   46.962  378.900   65.989  503.200   66.848   55.912   5.0527   64.680   4.4030 -8.768768 6.701935 
1 1 1   12   26   12 o   16.094   1.6095   30.949   6.0346   22.700   8.2381   40.500   8.8649   13.596   2.6612   18.373   2.0799 -4.776891 3.377540 
1 1 1   12   26   13 o   43.179   2.5369  222.052   25.753  184.700   36.183  260.400   36.662   39.104   3.9738   46.629   3.3520 -7.525826 5.198727 
1 1 1   12   26   14 o   87.789   4.8546  930.984  100.246  895.600  141.438  966.700  142.102   85.011   7.1111   88.486   6.8543 -3.474884 9.876709 
1 1 1   12   26   15 o   35.577   2.0166  150.464   16.871  106.800   23.464  197.200   24.276   29.733   3.4033   40.672   2.5403 -10.93893 4.246845 
1 1 1   12   26   16 o  107.283   6.0242  1409.75  151.996  1601.30  214.928  1218.10  214.982  112.732   8.1285   97.151   9.4925 15.58092 12.49718 
1 1 1   12   26   17 o   93.729   5.2438  1068.80  115.594  1053.50  162.939  1084.30  164.017   91.589   7.6026   92.973   7.5357 -1.384483 10.70450 
1 1 1   12   26   18 f   74.537   4.1504  669.841   72.760  761.900  102.987  578.100  102.810   78.873   5.5653   68.222   6.4588 10.65141 8.525739 
1 1 1   12   26   19 o   49.869   2.9978  297.586   35.137  265.500   49.681  329.700   49.702   46.676   4.5660   52.218   4.0628 -5.542015 6.111814 
1 1 1   12   26   20 o   56.842   3.3492  387.849   44.755  391.600   63.302  384.100   63.286   56.643   4.7773   56.076   4.8263 0.5670967 6.790881 
1 1 1   12   26   21 o   32.428   2.2365  125.542   17.021  127.100   24.137  124.000   24.006   32.447   3.1915   32.040   3.2164 0.4072876 4.531136 
1 1 1   12   26   22 o   58.917   3.4107  417.774   47.249  396.600   66.701  439.100   66.939   56.772   5.0274   59.873   4.7743 -3.100449 6.933205 
1 1 1   12   26   23 f   68.401   3.8219  566.726   61.485  648.500   87.099  485.500   86.806   72.473   5.1225   62.159   5.9882 10.31474 7.880215 
1 1 1   12   26   24 o   64.580   3.7514  506.244   56.961  502.000   80.502  510.500   80.608   63.375   5.4318   63.940   5.3890 -0.5648613 7.651566 
1 1 1   12   26   25 o   11.146   1.6648   15.068   4.2473   17.000   5.9793   13.100   6.0342   11.751   2.2366   10.267   2.5099 1.483303 3.361883 
1 1 1   12   26   26 o   31.776   2.2003  121.085   16.408  118.100   23.146  124.100   23.265   31.116   3.1956   31.925   3.1261 -0.8094330 4.470385 
1 1 1   12   26   27 o   15.925   1.7695   30.539   6.5417   41.200   9.2132   19.700   9.2899   18.453   2.1550   12.524   3.1456 5.929268 3.812981 
1 1 1   12   26   28 o   54.337   3.2798  360.013   41.886  371.200   59.200  348.800   59.270   54.319   4.6605   52.524   4.8329 1.794807 6.713977 
1 1 1   12   26   29 o   44.014   2.7597  234.742   28.538  231.400   40.313  238.100   40.404   43.098   4.0071   43.751   3.9536 -0.6535263 5.629178 
1 1 1   12   26   30 o   38.072   2.5247  175.285   22.569  185.400   31.862  165.100   31.973   38.737   3.5217   36.419   3.7725 2.317745 5.160859 
1 1 1   12   26   31 o   24.988   2.0214   75.178   11.825   80.700   16.608   69.500   16.842   25.681   2.7832   23.717   3.0800 1.964312 4.151163 
1 1 1   12   26   32 o   28.772   2.1259   99.771   14.341  104.000   20.233   95.500   20.331   29.099   2.9869   27.811   3.1514 1.287338 4.341994 
1 1 1   12   26   33 o   20.140   1.8158   48.842   8.5427   47.800   12.035   49.900   12.128   19.707   2.6536   20.155   2.6096 -0.4480801 3.721736 
1 1 1   12   26   34 o   43.150   2.7424  227.292   27.798  233.700   39.338  220.900   39.288   43.042   3.9132   41.756   4.0348 1.286541 5.620700 
1 1 1   12   26   35 o   36.471   2.4368  161.941   20.865  154.500   29.490  169.400   29.526   34.993   3.6213   36.767   3.4408 -1.774071 4.995311 
1 1 1   12   26   36 o   6.3596   1.7258   5.0078   2.6579   9.6000   3.8437   0.8000   3.6793   8.7714   1.9099   4.7998   1.9872 3.971581 2.756221 
1 1 1   12   26   37 o   37.729   2.5065  174.686   22.204  181.400   31.434  168.000   31.368   37.735   3.5701   36.190   3.7237 1.544945 5.158658 
1 1 1   12   26   38 o   36.403   2.2096  161.873   18.904  130.500   26.134  196.300   27.377   31.851   3.5344   39.598   2.9490 -7.746948 4.603059 
1 1 1   12   26   39 o   12.834   1.9570   20.378   5.7430   13.900   8.1716   26.700   8.0731   10.404   3.0965   14.570   2.4322 -4.166626 3.937448 
1 1 1   12   26   40 o   25.959   1.9800   82.245   12.046   71.700   16.659   93.800   17.438   23.707   3.0463   27.341   2.7378 -3.634224 4.095754 
1 1 1   12   26   41 o   17.529   1.8204   37.605   7.4251   35.000   10.235   40.500   10.788   16.559   2.7113   17.872   2.6354 -1.312889 3.781075 
1 1 1   12   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   26   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27    0 o   31.961   3.2563  124.700   23.991  124.700   23.991  124.700   23.991   31.961   3.2563   31.961   3.2563 0.000000 0.000000 
1 1 1   12   27    1 o   65.742   3.7782  516.473   58.406  536.100   82.550  496.800   82.648   66.607   5.2921   64.039   5.5193 2.567787 7.646501 
1 1 1   12   27    2 o   67.858   3.8724  550.508   61.793  520.300   87.401  580.700   87.377   65.485   5.7092   69.308   5.3811 -3.822685 7.845486 
1 1 1   12   27    3 o  135.283   7.4795  2243.45  238.008  2271.40  336.625  2215.50  336.561  133.546   10.766  131.750   10.916 1.795822 15.33227 
1 1 1   12   27    4 o   33.568   2.2331  134.056   17.600  124.800   24.701  143.600   25.083   32.235   3.2913   34.631   3.1000 -2.396439 4.521335 
1 1 1   12   27    5 o  133.789   7.4841  2197.72  235.492  2351.00  332.852  2044.10  333.221  135.968   10.447  125.960   11.324 10.00866 15.40689 
1 1 1   12   27    6 o   10.519   1.7941   13.458   4.2963   16.200   5.9170   10.400   6.2483   11.496   2.2603   9.2732   2.6937 2.222331 3.516376 
1 1 1   12   27    7 o   37.190   2.4745  164.723   21.607  185.600   30.504  143.700   30.610   39.360   3.3128   34.505   3.8209 4.854721 5.057112 
1 1 1   12   27    8 o   15.467   1.7172   28.653   6.1660   24.100   8.6307   33.400   8.8122   14.015   2.7059   16.630   2.3061 -2.615036 3.555237 
1 1 1   12   27    9 o   60.914   3.4389  443.465   49.263  420.000   69.184  467.600   70.164   58.870   5.0250   62.201   4.8145 -3.331501 6.959129 
1 1 1   12   27   10 o   85.154   4.9350  875.675   98.807  986.400  139.499  764.200  139.971   89.605   6.6401   78.298   7.6690 11.30766 10.14422 
1 1 1   12   27   11 o   27.216   1.9505   88.179   12.452   76.200   17.286  101.100   17.953   25.142   2.9689   29.060   2.6452 -3.918163 3.976378 
1 1 1   12   27   12 o   92.383   4.9529  1031.68  107.653  936.700  151.599  1128.30  152.897   86.734   7.4749   95.651   6.8140 -8.916306 10.11455 
1 1 1   12   27   13 o   70.502   3.7714  595.983   62.560  513.700   87.989  680.100   88.965   64.749   5.8170   74.881   5.0610 -10.13265 7.710438 
1 1 1   12   27   14 o   39.440   2.5292  185.511   23.431  199.600   33.183  171.500   33.091   40.741   3.4827   37.681   3.7696 3.059818 5.132205 
1 1 1   12   27   15 o   69.876   4.0131  587.436   65.939  602.600   93.141  572.200   93.363   70.133   5.6727   68.252   5.8494 1.880714 8.148282 
1 1 1   12   27   16 o   95.841   5.3841  1120.05  121.356  1112.80  171.044  1127.40  172.209   93.938   7.7809   94.555   7.7819 -0.6168976 11.00455 
1 1 1   12   27   17 o   37.791   2.3900  170.327   21.218  153.600   29.769  187.600   30.251   35.650   3.5849   39.502   3.2725 -3.852577 4.853951 
1 1 1   12   27   18 o   65.506   3.7007  516.073   57.010  467.200   80.519  565.200   80.729   61.593   5.5972   68.035   5.0612 -6.441998 7.546186 
1 1 1   12   27   19 o   51.113   2.7310  312.143   32.843  388.000   46.666  237.700   46.230   56.797   3.4965   44.111   4.5013 12.68634 5.699746 
1 1 1   12   27   20 o   23.660   1.9263   66.850   10.668   60.900   15.088   72.800   15.088   22.403   2.9216   24.581   2.6407 -2.177988 3.938126 
1 1 1   12   27   21 o   42.479   2.6687  216.044   26.633  208.200   37.651  223.900   37.679   41.373   3.8999   42.962   3.7518 -1.589478 5.411552 
1 1 1   12   27   22 o   29.182   2.1261  101.807   14.550   92.900   20.585  110.700   20.569   27.643   3.2136   30.278   2.9128 -2.635252 4.337247 
1 1 1   12   27   23 f   32.609   2.2317  127.257   17.081  136.300   24.214  118.300   24.099   33.553   3.0909   31.178   3.3247 2.375538 4.539505 
1 1 1   12   27   24 o   12.301   1.6652   18.286   4.7125   25.200   6.6957   11.500   6.6338   14.413   2.0231   9.6767   2.7651 4.736048 3.426195 
1 1 1   12   27   25 o   19.265   1.8041   44.527   8.1114   48.700   11.435   40.300   11.508   20.024   2.4707   18.116   2.7788 1.907482 3.718354 
1 1 1   12   27   26 o   8.2262   1.7371   8.3502   3.2684   8.4000   4.6116   8.3000   4.6328   8.2574   2.2868   8.2145   2.2981 0.4287815E-01 3.242033 
1 1 1   12   27   27 o   70.164   4.0628  609.074   67.026  722.900   94.821  495.400   94.758   75.202   5.3751   60.935   6.6959 14.26687 8.586417 
1 1 1   12   27   28 o   31.948   2.2329  122.846   16.739  121.100   23.649  124.600   23.697   31.396   3.2364   31.867   3.1920 -0.4714947 4.545633 
1 1 1   12   27   29 o   61.491   3.6824  466.679   53.223  482.100   75.198  451.200   75.340   61.158   5.2582   58.950   5.4748 2.207970 7.590933 
1 1 1   12   27   30 o   24.654   1.9680   73.108   11.362   65.700   16.077   80.500   16.060   23.072   3.0236   25.683   2.6879 -2.610928 4.045573 
1 1 1   12   27   31 o   25.253   1.9802   76.739   11.714   78.600   16.616   74.900   16.516   25.318   2.8276   24.688   2.8875 0.6295013 4.041394 
1 1 1   12   27   32 o   10.459   1.7923   13.420   4.2672   17.900   5.9272   8.6000   6.1484   12.037   2.1648   8.4961   2.7142 3.541276 3.471790 
1 1 1   12   27   33 o   55.958   3.3453  387.113   44.002  370.300   61.977  404.200   62.481   53.303   4.9818   55.909   4.7785 -2.606735 6.903080 
1 1 1   12   27   34 o   45.788   2.9070  257.729   31.268  279.600   44.191  235.800   44.249   46.864   4.0325   42.676   4.4567 4.187874 6.010306 
1 1 1   12   27   35 o   14.846   1.7180   26.739   5.9112   33.700   8.3967   19.900   8.3233   16.562   2.2016   12.493   2.8804 4.068988 3.625484 
1 1 1   12   27   36 o   23.327   1.9192   65.955   10.478   71.300   14.882   60.700   14.756   23.980   2.6736   22.007   2.9110 1.972963 3.952440 
1 1 1   12   27   37 o   15.398   1.5586   28.691   5.5891   20.100   7.4878   39.500   8.3988   12.573   2.6075   17.962   2.0149 -5.388627 3.295297 
1 1 1   12   27   38 o   18.801   1.8861   43.131   8.2606   41.300   11.475   45.100   11.901   18.061   2.7798   18.903   2.7465 -0.8418369 3.907721 
1 1 1   12   27   39 o   36.840   2.4453  167.616   21.151  140.900   29.598  195.500   30.238   32.672   3.9143   39.108   3.3053 -6.436310 5.123168 
1 1 1   12   27   40 o   20.770   1.9042   52.754   9.2352   70.800   13.249   35.700   12.880   23.868   2.3826   16.409   3.4342 7.458958 4.179756 
1 1 1   12   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   27   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28    0 o  102.693   8.2735  1299.20  197.634  1299.20  197.634  1299.20  197.634  102.693   8.2735  102.693   8.2735 0.000000 0.000000 
1 1 1   12   28    1 o   44.186   2.7386  232.648   28.433  239.800   40.217  225.500   40.205   44.667   3.8506   43.278   3.9787 1.388790 5.536928 
1 1 1   12   28    2 o  101.852   5.6544  1257.10  135.458  1275.50  191.541  1238.70  191.591  101.266   8.0772   99.703   8.2107 1.562889 11.51772 
1 1 1   12   28    3 o   61.162   3.3548  446.665   48.267  523.600   68.477  370.700   68.045   65.974   4.4211   55.226   5.2822 10.74755 6.888286 
1 1 1   12   28    4 o   79.782   4.5471  765.678   85.310  819.500  120.505  711.600  120.790   81.876   6.2807   76.040   6.7988 5.835831 9.255886 
1 1 1   12   28    5 o   69.741   5.7238  592.500   93.431  592.500   93.431   0.0000   0.0000   69.741   5.7238  ?   ?  0.000000 5.723841 
1 1 1   12   28    6 o   47.351   2.9293  267.529   32.593  347.400   46.070  187.500   46.116   53.841   3.6451   39.137   5.1122 14.70419 6.278646 
1 1 1   12   28    7 o   36.059   2.5365  155.068   21.460  192.000   30.220  117.500   30.479   40.031   3.2243   31.041   4.2714 8.990759 5.351712 
1 1 1   12   28    8 o   74.192   4.2119  661.441   73.485  660.100  103.564  662.800  104.286   73.455   6.0237   73.592   6.0548 -0.1374741 8.540870 
1 1 1   12   28    9 o   40.641   2.5983  196.918   24.805  203.900   35.035  189.900   35.124   41.170   3.6413   39.688   3.7940 1.481724 5.258717 
1 1 1   12   28   10 o   51.635   3.1132  318.591   37.781  363.400   53.406  273.700   53.455   54.916   4.1490   47.431   4.8405 7.485012 6.375337 
1 1 1   12   28   11 o   50.831   2.9834  308.552   35.653  282.100   50.234  335.400   50.610   48.253   4.4591   52.748   4.0953 -4.494232 6.054402 
1 1 1   12   28   12 o   46.004   2.8033  252.639   30.308  235.800   42.784  269.600   42.939   44.146   4.1530   47.298   3.8787 -3.152500 5.682560 
1 1 1   12   28   13 o   75.974   4.3374  696.157   77.491  740.200  109.518  652.000  109.659   77.605   6.0236   72.591   6.4651 5.013954 8.836307 
1 1 1   12   28   14 o   26.128   2.0524   81.440   12.561  106.000   17.731   56.700   17.796   29.758   2.5479   21.485   3.6375 8.272934 4.441114 
1 1 1   12   28   15 o   47.459   2.9435  269.387   32.825  286.200   46.302  252.400   46.542   48.647   4.0681   45.576   4.3785 3.070503 5.976635 
1 1 1   12   28   16 o   28.644   2.1209   97.882   14.244  103.400   20.085   92.300   20.203   29.310   2.9417   27.634   3.1524 1.675482 4.311742 
1 1 1   12   28   17 o  103.367   5.8614  1316.82  142.480  1332.60  201.079  1300.90  201.917  101.741   8.4461  100.363   8.6031 1.377701 12.05610 
1 1 1   12   28   18 o   47.136   2.8753  266.035   31.851  241.700   45.030  290.400   45.058   44.520   4.3385   48.967   3.9299 -4.447742 5.853775 
1 1 1   12   28   19 o   40.481   2.5805  195.992   24.538  199.100   34.750  192.900   34.655   40.539   3.6698   39.884   3.7227 0.6558228 5.227406 
1 1 1   12   28   20 o   25.841   2.0070   79.789   12.150   80.800   17.277   78.800   17.091   25.844   2.8800   25.517   2.8873 0.3273678 4.078052 
1 1 1   12   28   21 o   47.632   2.9012  272.625   32.476  302.200   45.948  243.100   45.909   49.803   3.9393   44.449   4.4331 5.353745 5.930421 
1 1 1   12   28   22 o   18.498   1.7478   40.987   7.5440   47.000   10.773   35.200   10.568   19.712   2.3614   16.942   2.7346 2.770105 3.613044 
1 1 1   12   28   23 o   11.634   1.6788   16.399   4.4783   16.100   6.3257   16.700   6.3408   11.397   2.4250   11.616   2.3913 -0.2197924 3.405745 
1 1 1   12   28   24 o   8.1640   1.8612   8.2465   3.5082   5.0000   5.0392   11.300   4.8871   6.9319   2.4576   9.5411   2.2122 -2.609214 3.306577 
1 1 1   12   28   25 o   27.593   2.0652   91.350   13.359   91.800   18.900   90.900   18.884   27.434   2.9646   27.294   2.9784 0.1400738 4.202345 
1 1 1   12   28   26 o   23.433   1.9246   65.912   10.556   68.700   14.895   63.100   14.961   23.742   2.7051   22.701   2.8541 1.041021 3.932324 
1 1 1   12   28   27 o   30.518   2.1001  111.887   15.042   97.200   21.192  126.800   21.355   28.090   3.2552   32.280   2.8301 -4.189911 4.313490 
1 1 1   12   28   28 o   79.464   4.7413  799.323   88.562  889.400  125.195  709.100  125.296   81.391   6.5700   71.288   7.5585 10.10307 10.01478 
1 1 1   12   28   29 o   29.812   2.1243  106.964   14.857  103.200   20.911  110.800   21.111   28.971   3.1050   30.063   3.0145 -1.091682 4.327607 
1 1 1   12   28   30 o   39.143   2.5529  185.558   23.467  200.800   33.180  170.300   33.196   40.280   3.5238   36.899   3.8674 3.380688 5.232014 
1 1 1   12   28   31 o   67.007   3.9902  561.499   62.849  561.300   88.710  561.700   89.055   64.977   5.8442   64.971   5.8680 0.6011963E-02 8.281806 
1 1 1   12   28   32 o   61.523   3.7121  472.068   53.676  479.900   75.824  464.200   75.996   60.314   5.3803   59.175   5.5017 1.139023 7.695221 
1 1 1   12   28   33 o   37.324   2.5096  169.689   21.990  179.700   31.039  159.600   31.158   37.873   3.5106   35.519   3.7727 2.353943 5.153381 
1 1 1   12   28   34 o   20.910   1.9031   52.940   9.2937   66.700   13.101   39.000   13.186   23.326   2.4133   17.463   3.3190 5.863386 4.103673 
1 1 1   12   28   35 o   29.375   2.1530  104.903   14.830  107.700   20.962  102.100   20.984   29.340   3.0711   28.508   3.1709 0.8325043 4.414295 
1 1 1   12   28   36 o   12.350   1.7502   18.683   4.9613   21.900   6.9299   15.300   7.1060   13.236   2.3008   10.929   2.7545 2.306905 3.589026 
1 1 1   12   28   37 o   13.963   1.8418   23.910   5.9246   15.800   8.2150   32.700   8.5525   11.053   3.0487   16.219   2.2973 -5.166793 3.817305 
1 1 1   12   28   38 o   8.8776   2.0505   9.9397   4.2120   22.000   5.9716  -2.0000   5.9417   13.347   1.9525   5.2724   2.3513 8.074532 3.056298 
1 1 1   12   28   39 o   15.688   1.9129   30.253   6.9398   30.400   9.7090   30.100   9.9232   15.413   2.7694   15.302   2.8512 0.1113214 3.974792 
1 1 1   12   28   40 o   37.879   3.9800  192.600   35.067   0.0000   0.0000  192.600   35.067  ?   ?    37.879   3.9800 0.000000 3.980027 
1 1 1   12   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   28   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29    0 o   24.330   2.8793   73.000   15.933   73.000   15.933   73.000   15.933   24.330   2.8793   24.330   2.8793 0.000000 0.000000 
1 1 1   12   29    1 o   86.895   4.8661  911.402   99.447  901.500  140.652  921.300  140.625   85.416   7.0360   86.400   6.9514 -0.9839325 9.890785 
1 1 1   12   29    2 o   30.995   2.1672  114.416   15.762   94.800   22.272  134.100   22.310   27.996   3.4414   33.471   2.8498 -5.475126 4.468243 
1 1 1   12   29    3 o   90.424   5.1082  989.167  108.626  1181.90  153.574  796.200  153.667   98.058   6.6721   79.522   8.3059 18.53590 10.65386 
1 1 1   12   29    4 o   47.650   2.8282  270.804   31.680  236.000   44.678  306.000   44.929   44.158   4.3407   50.467   3.7980 -6.308418 5.767716 
1 1 1   12   29    5 o   87.076   4.7958  915.341   98.230  866.000  138.486  965.300  139.353   83.616   7.0803   88.510   6.7176 -4.893692 9.759962 
1 1 1   12   29    6 o  104.350   5.8375  1327.35  143.264  1327.90  201.919  1326.80  203.299  102.676   8.4017  102.582   8.4685 0.9403229E-01 11.92911 
1 1 1   12   29    7 o   56.607   3.3843  383.469   45.030  396.300   63.390  370.400   63.977   57.188   4.7368   55.206   4.9606 1.981544 6.858871 
1 1 1   12   29    8 o   60.188   3.2400  433.008   45.879  363.100   64.434  504.900   65.341   54.608   5.0542   64.716   4.3003 -10.10817 6.636038 
1 1 1   12   29    9 o   49.148   2.7590  288.108   31.890  238.300   44.750  339.500   45.456   44.339   4.3293   53.175   3.6421 -8.835247 5.657522 
1 1 1   12   29   10 o   67.525   3.9245  548.058   62.307  565.700   87.848  530.200   88.386   68.029   5.5161   65.749   5.7507 2.279282 7.968539 
1 1 1   12   29   11 o  115.855   6.5265  1656.07  177.820  1658.50  250.569  1653.60  252.393  113.327   9.4496  113.063   9.5427 0.2635193 13.42970 
1 1 1   12   29   12 o   51.539   3.0492  317.699   36.944  304.000   51.965  331.700   52.534   50.051   4.4430   52.345   4.2878 -2.294159 6.174589 
1 1 1   12   29   13 f   93.289   5.1406  1059.25  112.803  997.400  159.084  1121.80  159.976   88.923   7.6507   94.667   7.2106 -5.744865 10.51311 
1 1 1   12   29   14 o   26.172   2.0218   81.718   12.398   83.400   17.440   80.000   17.628   26.309   2.8529   25.742   2.9535 0.5666180 4.106332 
1 1 1   12   29   15 o   46.163   2.9086  255.092   31.543  279.500   44.481  230.400   44.738   48.060   3.9546   43.468   4.4201 4.591591 5.930913 
1 1 1   12   29   16 o   47.185   2.9291  266.674   32.475  276.500   45.757  256.700   46.099   47.730   4.0996   45.913   4.3021 1.816662 5.942655 
1 1 1   12   29   17 o   72.543   4.1489  637.349   70.775  636.400  100.031  638.300  100.150   71.538   5.9763   71.647   5.9741 -0.1088333 8.450168 
1 1 1   12   29   18 o   78.209   4.3796  744.371   80.557  794.200  114.073  694.800  113.778   79.693   6.1083   74.196   6.5617 5.496986 8.964732 
1 1 1   12   29   19 o   25.109   1.9742   75.357   11.611   78.300   16.400   72.400   16.441   25.451   2.7738   24.433   2.9067 1.017750 4.017839 
1 1 1   12   29   20 o   13.526   1.6825   22.038   5.2576   17.400   7.3492   26.900   7.5246   11.834   2.6908   14.873   2.2097 -3.038871 3.481875 
1 1 1   12   29   21 o   35.007   2.3346  146.854   19.188  166.200   27.168  127.600   27.104   37.041   3.1355   32.280   3.6180 4.761318 4.787638 
1 1 1   12   29   22 o   56.255   3.2967  383.704   43.602  424.700   61.735  342.900   61.591   58.547   4.4999   52.253   5.0548 6.294559 6.767562 
1 1 1   12   29   23 o   20.561   1.8484   50.711   8.8784   48.900   12.594   52.500   12.518   19.999   2.7389   20.765   2.6106 -0.7662601 3.783744 
1 1 1   12   29   24 o   37.174   2.3820  166.151   20.799  197.500   29.484  135.100   29.344   40.292   3.1233   33.020   3.8348 7.271484 4.945802 
1 1 1   12   29   25 f   26.730   1.9477   85.683   12.209  102.000   17.384   69.800   17.151   29.023   2.5629   23.807   3.1264 5.215162 4.042593 
1 1 1   12   29   26 o   11.045   1.7026   14.857   4.2979   7.5000   6.0210   22.500   6.1369   8.0886   2.6931   13.591   1.9695 -5.502908 3.336420 
1 1 1   12   29   27 o   33.757   2.3173  137.354   18.360  139.200   25.933  135.500   25.996   33.634   3.3080   33.156   3.3670 0.4781685 4.720181 
1 1 1   12   29   28 o   38.700   2.5329  181.157   23.019  188.800   32.538  173.500   32.568   39.063   3.5669   37.349   3.7432 1.714058 5.170498 
1 1 1   12   29   29 o   34.911   2.3697  147.205   19.420  152.600   27.450  141.800   27.477   35.165   3.3461   33.824   3.4904 1.341515 4.835211 
1 1 1   12   29   30 o   33.882   2.3287  138.710   18.518  151.200   26.179  126.200   26.199   35.037   3.1995   31.835   3.5454 3.202406 4.775633 
1 1 1   12   29   31 o   44.680   2.8234  243.749   29.636  243.400   41.837  244.100   41.985   43.874   4.0853   43.931   4.0945 -0.5695343E-01 5.783954 
1 1 1   12   29   32 o   15.504   1.7389   29.095   6.2565   28.600   8.8071   29.600   8.8896   15.164   2.5501   15.439   2.5257 -0.2756395 3.589206 
1 1 1   12   29   33 o   8.1464   1.7576   8.2488   3.2818   7.2000   4.3739   9.6000   4.9644   7.6521   2.2626   8.7520   2.3518 -1.099884 3.263472 
1 1 1   12   29   34 o   8.3841   1.8134   8.7565   3.4858   6.3000   4.9887   11.100   4.8727   7.3617   2.4514   9.3928   2.2302 -2.031022 3.314048 
1 1 1   12   29   35 o   17.191   1.8068   35.933   7.2248   35.100   10.433   36.700   10.015   16.684   2.7434   17.138   2.5527 -0.4536552 3.747277 
1 1 1   12   29   36 o   31.190   2.2730  119.245   16.626  111.700   23.583  126.700   23.442   29.492   3.4517   31.613   3.1835 -2.120810 4.695610 
1 1 1   12   29   37 o   20.409   1.7692   50.570   8.4417   33.300   11.630   69.800   12.272   16.016   3.1873   23.833   2.2056 -7.817839 3.876061 
1 1 1   12   29   38 o   36.903   2.4571  168.465   21.289  146.500   29.663  191.800   30.573   33.341   3.8378   38.619   3.3868 -5.278187 5.118491 
1 1 1   12   29   39 o   21.729   3.0415   60.700   15.179   0.0000   0.0000   60.700   15.179  ?   ?    21.729   3.0415 0.000000 3.041528 
1 1 1   12   29   40 o   12.935   2.6517   21.700   7.8275   0.0000   0.0000   21.700   7.8275  ?   ?    12.935   2.6517 0.000000 2.651745 
1 1 1   12   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   29   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   30    0 o   5.6753   2.7181   5.6000   4.1920   5.6000   4.1920   5.6000   4.1920   5.6753   2.7181   5.6753   2.7181 0.000000 0.000000 
1 1 1   12   30    1 o   16.761   1.7453   33.619   6.8065   23.400   9.5656   44.100   9.6872   13.757   3.0268   19.163   2.1795 -5.406645 3.729894 
1 1 1   12   30    2 f   98.579   5.2102  1178.68  120.853  1058.70  170.021  1301.20  171.817   91.833   7.9179  102.414   7.1495 -10.58136 10.66809 
1 1 1   12   30    3 o   32.679   2.1638  127.177   16.603  110.200   23.232  144.900   23.737   30.225   3.3092   34.777   2.9174 -4.552526 4.411582 
1 1 1   12   30    4 o   21.351   2.0604   54.533   10.259   67.200   14.176   40.600   14.867   23.647   2.5806   18.126   3.6003 5.520674 4.429587 
1 1 1   12   30    5 o   42.941   2.8023  220.223   28.259  272.000   39.860  167.900   40.070   47.584   3.5736   37.056   4.6839 10.52808 5.891451 
1 1 1   12   30    6 o  105.245   5.9669  1355.86  147.681  1409.20  208.441  1302.10  209.267  105.470   8.4401  101.014   8.8627 4.455963 12.23858 
1 1 1   12   30    7 o   55.503   2.8218  367.450   36.862  274.600   51.435  465.500   52.856   47.521   4.6430   62.299   3.6084 -14.77757 5.880287 
1 1 1   12   30    8 o   77.222   3.7911  714.144   69.130  551.000   96.949  882.900   98.602   66.784   6.2191   85.323   4.9147 -18.53842 7.926650 
1 1 1   12   30    9 o   27.894   2.0741   92.770   13.564   87.300   18.884   98.600   19.495   26.902   3.0252   28.628   2.9249 -1.726536 4.207983 
1 1 1   12   30   10 o   66.778   3.9886  537.046   62.608  612.600   88.340  460.800   88.744   70.810   5.3222   60.961   6.2534 9.848816 8.211625 
1 1 1   12   30   11 o   18.795   1.7973   42.233   7.8797   40.700   11.081   43.800   11.207   18.314   2.6385   19.026   2.5593 -0.7121563 3.675811 
1 1 1   12   30   12 o   55.352   3.2935  367.423   42.854  372.200   60.459  362.600   60.752   55.285   4.6750   54.530   4.7659 0.7548332 6.676075 
1 1 1   12   30   13 o   31.036   2.1176  114.856   15.426   96.200   21.649  134.100   21.988   28.173   3.3177   33.429   2.8115 -5.255739 4.348761 
1 1 1   12   30   14 o   34.270   2.2367  140.115   18.001  112.500   25.351  168.200   25.566   30.422   3.5987   37.436   2.9151 -7.014410 4.631248 
1 1 1   12   30   15 f   47.146   2.9377  266.395   32.542  280.300   45.866  252.300   46.179   48.040   4.0819   45.472   4.3539 2.567978 5.968115 
1 1 1   12   30   16 o   41.444   2.6035  205.546   25.350  191.600   35.782  219.600   35.919   39.686   3.8675   42.589   3.6055 -2.903446 5.287425 
1 1 1   12   30   17 o   32.425   2.2457  125.699   17.089  126.000   24.207  125.400   24.128   32.254   3.2215   32.177   3.2187 0.7684708E-01 4.553891 
1 1 1   12   30   18 o   20.379   1.8376   49.708   8.7477   48.200   12.404   51.200   12.339   19.905   2.7094   20.548   2.6012 -0.6435070 3.755890 
1 1 1   12   30   19 o   29.964   2.1804  107.501   15.322  114.200   21.588  100.700   21.751   30.700   3.0168   28.746   3.2620 1.953657 4.443173 
1 1 1   12   30   20 o   11.702   1.7100   16.601   4.5855   19.000   6.6288   14.400   6.3501   12.417   2.3468   10.760   2.5400 1.656748 3.458127 
1 1 1   12   30   21 o   19.509   1.8189   45.655   8.2824   40.800   11.719   50.500   11.707   18.226   2.8135   20.396   2.4820 -2.170094 3.751765 
1 1 1   12   30   22 o   70.341   4.1059  609.694   67.903  620.600   96.054  598.800   96.004   69.446   5.9137   68.096   6.0329 1.349792 8.447949 
1 1 1   12   30   23 o   39.659   2.5814  189.665   24.043  186.400   34.079  192.900   33.926   38.867   3.7602   39.583   3.6715 -0.7165833 5.255316 
1 1 1   12   30   24 o   17.307   1.7718   36.036   7.1390   39.200   10.039   32.800   10.154   17.919   2.4358   16.291   2.7364 1.627321 3.663527 
1 1 1   12   30   25 o   41.426   2.6562  207.606   25.847  205.100   36.594  210.100   36.512   40.642   3.8594   41.169   3.7987 -0.5272408 5.415214 
1 1 1   12   30   26 o   32.913   2.2668  130.476   17.510  125.400   24.706  135.600   24.821   31.903   3.3286   33.237   3.2021 -1.334379 4.618764 
1 1 1   12   30   27 o   16.997   1.7553   34.800   6.9435   37.900   9.8197   31.700   9.8197   17.596   2.4280   15.998   2.6952 1.598335 3.627561 
1 1 1   12   30   28 o   24.516   1.9644   72.308   11.277   77.200   15.935   67.400   15.961   25.128   2.7295   23.390   2.9557 1.737833 4.023263 
1 1 1   12   30   29 o   55.135   3.3285  373.785   43.131  363.400   60.953  384.200   61.040   53.144   4.9127   54.783   4.7661 -1.639050 6.844753 
1 1 1   12   30   30 o   28.397   2.0880   97.287   13.903   94.100   19.621  100.500   19.703   27.590   3.0633   28.563   2.9644 -0.9720230 4.262823 
1 1 1   12   30   31 o   16.422   1.7501   32.607   6.6823   31.200   9.4752   34.000   9.4255   15.833   2.6264   16.585   2.4831 -0.7523956 3.614352 
1 1 1   12   30   32 o   21.020   1.8777   53.438   9.2218   58.900   12.997   47.900   13.086   21.861   2.5666   19.562   2.9226 2.299459 3.889647 
1 1 1   12   30   33 o   10.592   1.7448   13.791   4.2122   14.100   6.0452   13.500   5.8724   10.561   2.4684   10.336   2.4444 0.2251129 3.473884 
1 1 1   12   30   34 o   12.065   1.8717   17.923   5.1596   12.900   7.4721   22.500   7.1333   10.086   2.9503   13.416   2.3365 -3.330703 3.763411 
1 1 1   12   30   35 o   14.368   1.7526   25.193   5.8230   26.700   8.5698   23.900   7.9367   14.540   2.5910   13.756   2.5368 0.7838669 3.626110 
1 1 1   12   30   36 o   20.661   2.0247   52.225   9.7514   62.500   13.584   41.300   14.007   22.372   2.6210   17.761   3.4641 4.610167 4.343944 
1 1 1   12   30   37 o   33.199   3.5403  142.800   27.326   0.0000   0.0000  142.800   27.326  ?   ?    33.199   3.5403 0.000000 3.540313 
1 1 1   12   30   38 o   7.9032   2.5652   7.6000   5.4755   0.0000   0.0000   7.6000   5.4755  ?   ?    7.9032   2.5652 0.000000 2.565173 
1 1 1   12   30   39 o   9.7001   2.6180   12.200   6.1361   0.0000   0.0000   12.200   6.1361  ?   ?    9.7001   2.6180 0.000000 2.618041 
1 1 1   12   30   40 f   21.537   2.8919   60.600   14.336   0.0000   0.0000   60.600   14.336  ?   ?    21.537   2.8919 0.000000 2.891880 
1 1 1   12   30   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   30   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   30   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   30   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   31    0 o   21.171   3.0813   56.400   14.452   56.400   14.452   56.400   14.452   21.171   3.0813   21.171   3.0813 0.000000 0.000000 
1 1 1   12   31    1 o  104.754   5.5850  1339.13  137.653  1193.10  193.967  1487.30  195.382   96.756   8.5785  108.899   7.6465 -12.14307 11.49173 
1 1 1   12   31    2 o   20.606   1.9238   50.751   9.2527   62.300   12.975   38.800   13.198   22.773   2.4514   17.761   3.2673 5.012053 4.084673 
1 1 1   12   31    3 o   27.868   2.2470   92.746   14.661  111.500   20.446   72.900   21.034   30.472   2.8755   24.401   3.7720 6.070915 4.743073 
1 1 1   12   31    4 o   57.804   4.8913  406.700   66.138  406.700   66.138   0.0000   0.0000   57.804   4.8913  ?   ?  0.000000 4.891299 
1 1 1   12   31    5 o   46.831   2.8818  262.101   31.714  262.200   44.645  262.000   45.058   46.555   4.1030   46.526   4.1446 0.2913666E-01 5.832043 
1 1 1   12   31    6 o   48.959   2.8767  286.395   33.112  259.600   46.608  313.700   47.050   46.257   4.3169   50.993   3.9379 -4.735943 5.843151 
1 1 1   12   31    7 o  138.673   7.8700  2425.35  256.649  2389.10  362.455  2461.80  363.459  132.687   11.687  134.950   11.516 -2.263229 16.40771 
1 1 1   12   31    8 o   48.502   2.7104  280.826   30.918  235.200   43.035  329.500   44.449   44.025   4.1902   52.335   3.6189 -8.310143 5.536607 
1 1 1   12   31    9 f   85.799   5.0289  896.817  101.442  1009.10  143.165  783.600  143.759   89.913   6.7931   78.456   7.8657 11.45757 10.39299 
1 1 1   12   31   10 o   53.960   3.2154  349.153   40.784  349.500   57.450  348.800   57.908   53.566   4.5862   53.496   4.6297 0.6940842E-01 6.516701 
1 1 1   12   31   11 o   72.176   4.1661  630.024   70.703  723.600   99.950  536.300  100.029   76.677   5.5579   65.425   6.5631 11.25151 8.600293 
1 1 1   12   31   12 o   59.323   3.2688  422.352   45.614  365.700   64.038  480.700   64.989   54.580   5.0251   62.898   4.4035 -8.317444 6.681471 
1 1 1   12   31   13 o   50.910   2.9279  310.518   35.050  274.500   49.244  347.500   49.899   47.399   4.4519   53.548   3.9746 -6.149410 5.968040 
1 1 1   12   31   14 o   12.580   1.8332   19.164   5.2855   20.600   7.1184   17.400   7.8909   12.950   2.4168   11.836   2.8560 1.113396 3.741370 
1 1 1   12   31   15 o   19.409   1.8556   45.121   8.4012   47.000   11.816   43.200   11.947   19.681   2.6067   18.822   2.7709 0.8597031 3.804312 
1 1 1   12   31   16 f   64.806   3.6403  508.453   55.482  575.300   78.610  442.100   78.318   68.272   4.9089   59.383   5.6534 8.888638 7.487200 
1 1 1   12   31   17 o   57.507   3.3982  400.036   45.940  359.200   64.959  440.900   64.980   53.630   5.1945   59.779   4.6397 -6.148834 6.964881 
1 1 1   12   31   18 o   28.373   2.1044   96.405   13.999   95.700   19.874   97.100   19.722   28.054   3.0490   28.274   2.9998 -0.2195969 4.277328 
1 1 1   12   31   19 o   34.236   2.3382  140.668   18.790  127.100   26.590  154.200   26.555   32.187   3.5580   35.611   3.1918 -3.423271 4.779790 
1 1 1   12   31   20 o   11.182   1.7888   15.234   4.5638   18.800   6.4236   11.600   6.4854   12.354   2.2861   9.6940   2.7215 2.659929 3.554335 
1 1 1   12   31   21 o   61.571   3.5979  463.361   52.082  494.900   73.761  432.000   73.551   62.646   5.0286   58.216   5.4123 4.429424 7.387846 
1 1 1   12   31   22 o   19.255   1.8065   44.535   8.1180   48.200   11.504   40.900   11.457   19.890   2.5049   18.239   2.7454 1.651169 3.716430 
1 1 1   12   31   23 o   48.294   2.9602  283.116   33.595  296.600   47.571  269.700   47.451   48.793   4.1689   46.386   4.3840 2.406593 6.049705 
1 1 1   12   31   24 o   11.688   1.7082   16.601   4.5753   16.400   6.4788   16.800   6.4621   11.472   2.4650   11.619   2.4333 -0.1467857 3.463700 
1 1 1   12   31   25 o   73.660   4.3479  679.064   75.291  690.100  106.409  668.000  106.547   72.058   6.3175   70.724   6.4509 1.334160 9.029082 
1 1 1   12   31   26 o   41.935   2.6676  213.082   26.279  199.300   37.139  226.900   37.188   39.926   3.9928   42.775   3.7187 -2.849487 5.456320 
1 1 1   12   31   27 o   35.297   2.3085  150.286   19.135  176.500   27.147  124.400   26.976   37.973   3.0533   31.574   3.6876 6.398609 4.787601 
1 1 1   12   31   28 o   39.967   2.5540  193.561   23.977  181.400   33.855  205.800   33.963   38.092   3.8151   40.731   3.5672 -2.639290 5.223023 
1 1 1   12   31   29 o   46.203   2.9009  261.099   31.489  262.800   44.538  259.400   44.526   45.515   4.1911   45.196   4.2210 0.3194084 5.948251 
1 1 1   12   31   30 o   55.944   3.3896  388.682   44.566  379.300   62.965  398.100   63.088   53.724   5.0215   55.187   4.8919 -1.462994 7.010423 
1 1 1   12   31   31 o   31.582   2.1555  120.866   15.978  103.000   22.513  139.000   22.682   28.597   3.4005   33.545   2.8916 -4.948004 4.463729 
1 1 1   12   31   32 o   22.582   1.8909   61.710   9.9898   58.800   14.034   64.700   14.224   21.728   2.8004   22.852   2.6872 -1.123974 3.881153 
1 1 1   12   31   33 o   7.2630   1.9093   6.5882   3.3178   8.5000   4.7068   4.7000   4.6776   8.2410   2.3202   6.6431   2.3664 1.597911 3.314109 
1 1 1   12   31   34 o   7.8992   1.9752   7.8359   3.6747   1.9000   5.5071   12.600   4.9337   6.0172   2.4546   10.006   2.1520 -3.988740 3.264359 
1 1 1   12   31   35 o   16.926   1.8360   34.947   7.2208   21.600   10.118   48.800   10.308   12.835   3.3151   19.897   2.2325 -7.061561 3.996753 
1 1 1   12   31   36 o   36.849   3.8300  177.900   32.839   0.0000   0.0000  177.900   32.839  ?   ?    36.849   3.8300 0.000000 3.830007 
1 1 1   12   31   37 o   23.001   2.9774   67.500   15.792   0.0000   0.0000   67.500   15.792  ?   ?    23.001   2.9774 0.000000 2.977412 
1 1 1   12   31   38 o   14.115   2.6220   25.600   8.4176   0.0000   0.0000   25.600   8.4176  ?   ?    14.115   2.6220 0.000000 2.621951 
1 1 1   12   31   39 o   25.222   3.2439   84.400   18.873   0.0000   0.0000   84.400   18.873  ?   ?    25.222   3.2439 0.000000 3.243944 
1 1 1   12   31   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   31   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   31   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   32    0 o   17.134   3.0836   38.000   11.275   38.000   11.275   38.000   11.275   17.134   3.0836   17.134   3.0836 0.000000 0.000000 
1 1 1   12   32    1 o   76.503   4.2391  706.671   76.282  614.900  107.571  799.500  108.189   70.265   6.5591   80.675   5.7161 -10.40981 8.700338 
1 1 1   12   32    2 o   24.382   2.0312   70.988   11.588   82.400   16.256   59.200   16.522   26.183   2.6665   22.031   3.2757 4.152233 4.223788 
1 1 1   12   32    3 o   33.394   2.2254  132.968   17.448  118.800   24.519  147.500   24.833   31.350   3.3648   35.039   3.0312 -3.688860 4.528773 
1 1 1   12   32    4 o   89.381   4.6248  968.508   97.278  835.500  136.716  1104.90  138.443   81.515   7.1758   94.495   6.2396 -12.97993 9.509162 
1 1 1   12   32    5 f   95.149   4.9343  1101.65  110.484  950.100  155.143  1257.60  157.377   86.540   7.6714  100.467   6.6716 -13.92680 10.16668 
1 1 1   12   32    6 f   59.461   3.4618  424.693   48.397  515.900   68.465  333.600   68.422   65.196   4.4742   51.909   5.6745 13.28766 7.226243 
1 1 1   12   32    7 o   41.415   2.4414  204.656   23.770  170.300   33.198  240.800   34.051   37.472   3.8047   44.766   3.2432 -7.294254 4.999370 
1 1 1   12   32    8 o   54.904   3.0713  361.136   39.659  311.100   55.459  413.500   56.735   50.445   4.7103   58.428   4.1389 -7.983650 6.270357 
1 1 1   12   32    9 o   71.426   3.9715  616.196   66.720  565.200   93.854  668.300   94.867   67.459   5.9529   73.654   5.4941 -6.194794 8.100769 
1 1 1   12   32   10 o   35.631   2.1562  151.372   18.056  117.000   25.106  188.200   25.987   31.043   3.4852   39.622   2.7954 -8.579760 4.467762 
1 1 1   12   32   11 o   71.990   4.1684  628.969   70.557  639.800   99.471  618.000  100.098   71.629   5.9344   70.292   6.0908 1.336769 8.503778 
1 1 1   12   32   12 o   95.380   5.4786  1126.06  122.875  1195.60  173.636  1056.30  173.906   96.166   7.7112   89.757   8.2991 6.409691 11.32863 
1 1 1   12   32   13 o   27.147   2.1227   88.166   13.499   99.000   18.949   77.000   19.237   28.637   2.8396   25.108   3.3265 3.528433 4.373622 
1 1 1   12   32   14 o   32.716   2.3179  128.164   17.791  137.400   25.008  118.700   25.315   33.678   3.1823   31.197   3.4966 2.481047 4.727878 
1 1 1   12   32   15 o   15.837   1.7709   30.148   6.5093   24.400   9.0178   36.400   9.4055   14.031   2.8195   17.315   2.3620 -3.283507 3.678161 
1 1 1   12   32   16 o   34.084   2.3274  139.267   18.620  135.900   26.401  142.600   26.265   33.384   3.3964   34.238   3.2892 -0.8537750 4.728025 
1 1 1   12   32   17 o   22.933   1.8742   62.973   10.061   55.100   14.116   71.100   14.343   21.228   2.8914   24.244   2.5433 -3.015995 3.850744 
1 1 1   12   32   18 o   32.529   2.2198  126.895   16.949  146.200   24.035  107.800   23.905   34.728   2.9592   29.626   3.4836 5.102032 4.570769 
1 1 1   12   32   19 f   9.1394   1.7519   10.263   3.6432   9.6000   5.2046   10.900   5.1015   8.8177   2.4243   9.3653   2.3191 -0.5475788 3.354862 
1 1 1   12   32   20 o   78.782   4.4309  771.948   82.094  638.800  115.925  905.900  116.274   68.819   7.2422   83.738   5.9184 -14.91869 9.352954 
1 1 1   12   32   21 o   16.089   1.7837   31.193   6.6626   35.100   9.4304   27.300   9.4143   16.944   2.4262   14.821   2.7925 2.123239 3.699255 
1 1 1   12   32   22 o   35.348   2.3825  150.541   19.770  157.400   27.979  143.700   27.941   35.806   3.3479   34.132   3.5170 1.674141 4.855701 
1 1 1   12   32   23 o   23.770   1.9338   67.867   10.760   74.500   15.314   61.400   15.122   24.730   2.6645   22.348   2.9366 2.382370 3.965256 
1 1 1   12   32   24 o   15.298   1.6857   28.199   5.9885   34.700   8.5713   22.000   8.3703   16.883   2.2024   13.263   2.7624 3.620353 3.532874 
1 1 1   12   32   25 o   20.287   1.8430   49.500   8.7325   46.500   12.350   52.500   12.350   19.433   2.7696   20.723   2.5796 -1.289822 3.784828 
1 1 1   12   32   26 o   20.010   1.8304   48.178   8.5527   51.400   12.136   45.000   12.055   20.496   2.5637   19.106   2.7513 1.390003 3.760592 
1 1 1   12   32   27 o   19.212   1.6459   44.308   7.3950   64.600   10.648   25.400   10.278   23.154   1.9661   14.160   3.1547 8.994369 3.717217 
1 1 1   12   32   28 o   36.195   2.3143  158.519   19.677  139.200   27.664  178.300   27.993   33.356   3.5675   38.017   3.1465 -4.661232 4.756894 
1 1 1   12   32   29 o   55.701   3.3433  384.926   43.771  357.000   61.819  413.000   61.983   52.016   5.0985   56.412   4.6957 -4.396564 6.931447 
1 1 1   12   32   30 o   10.931   1.7173   14.633   4.2866   16.100   5.9966   13.100   6.1298   11.340   2.3176   10.184   2.5537 1.156566 3.448583 
1 1 1   12   32   31 o   12.027   1.7541   17.692   4.8352   15.700   6.7436   19.800   6.9364   11.127   2.6114   12.566   2.4255 -1.439279 3.564077 
1 1 1   12   32   32 o   14.188   1.7392   24.518   5.7049   34.100   8.0604   14.900   8.0754   16.666   2.0944   10.791   3.0395 5.874969 3.691175 
1 1 1   12   32   33 f   7.6683   1.8452   7.3652   3.3007   11.700   4.5845   2.7000   4.7560   9.6525   2.0732   5.9447   2.3289 3.707801 3.117970 
1 1 1   12   32   34 o   17.351   2.6093   37.800   10.360   0.0000   0.0000   37.800   10.360  ?   ?    17.351   2.6093 0.000000 2.609290 
1 1 1   12   32   35 o   33.537   3.5950  145.700   28.026   0.0000   0.0000  145.700   28.026  ?   ?    33.537   3.5950 0.000000 3.595019 
1 1 1   12   32   36 o   26.725   3.2228   91.800   19.928   0.0000   0.0000   91.800   19.928  ?   ?    26.725   3.2228 0.000000 3.222846 
1 1 1   12   32   37 o   24.529   3.0329   77.500   17.193   0.0000   0.0000   77.500   17.193  ?   ?    24.529   3.0329 0.000000 3.032872 
1 1 1   12   32   38 o   19.852   2.9826   51.600   13.550   0.0000   0.0000   51.600   13.550  ?   ?    19.852   2.9826 0.000000 2.982601 
1 1 1   12   32   39 o   27.020   3.3742   99.800   21.059   0.0000   0.0000   99.800   21.059  ?   ?    27.020   3.3742 0.000000 3.374201 
1 1 1   12   32   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   32   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   32   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   33    0 o   23.623   2.9333   69.200   15.684   69.200   15.684   69.200   15.684   23.623   2.9333   23.623   2.9333 0.000000 0.000000 
1 1 1   12   33    1 o   57.985   3.3596  403.801   45.803  471.500   64.895  336.600   64.656   62.292   4.4409   52.248   5.3145 10.04428 6.925728 
1 1 1   12   33    2 o   18.176   1.8372   39.564   7.7770   37.200   10.917   42.000   11.082   17.465   2.7370   18.609   2.5923 -1.143465 3.769769 
1 1 1   12   33    3 o   12.363   2.6725   18.900   7.5744   18.900   7.5744   0.0000   0.0000   12.363   2.6725  ?   ?  0.000000 2.672498 
1 1 1   12   33    4 o   32.982   2.2651  129.882   17.534  124.900   24.633  135.000   24.965   32.141   3.2921   33.448   3.1999 -1.307308 4.590981 
1 1 1   12   33    5 f   38.288   2.3827  175.036   21.435  153.200   29.908  198.100   30.737   35.543   3.6137   40.558   3.2363 -5.015533 4.851063 
1 1 1   12   33    6 o  107.786   6.1686  1446.75  156.352  1522.90  220.967  1370.40  221.265  107.833   8.7534  101.601   9.3267 6.232071 12.79103 
1 1 1   12   33    7 o   58.521   3.3147  411.896   45.617  357.500   64.276  467.100   64.751   53.820   5.1192   61.884   4.4610 -8.064236 6.790196 
1 1 1   12   33    8 o   57.393   3.1654  395.807   42.734  324.800   60.063  468.600   60.813   51.285   5.0242   62.077   4.1729 -10.79181 6.531088 
1 1 1   12   33    9 o   43.729   2.4327  228.504   25.020  181.100   34.855  278.900   35.938   38.541   3.8828   48.131   3.1800 -9.590073 5.018806 
1 1 1   12   33   10 o   15.597   1.8348   29.267   6.6282   32.000   9.1147   26.200   9.6560   16.207   2.4589   14.547   2.9125 1.659107 3.811683 
1 1 1   12   33   11 o   42.685   2.6709  218.546   26.786  203.700   37.813  233.500   37.950   40.814   3.9738   43.818   3.7024 -3.003304 5.431277 
1 1 1   12   33   12 o   71.773   3.9838  627.267   67.252  565.300   94.706  690.300   95.517   66.803   6.0700   74.318   5.4815 -7.514847 8.178763 
1 1 1   12   33   13 o   70.181   4.1925  602.903   69.161  647.600   97.481  557.600   98.139   71.599   5.8159   65.977   6.3788 5.622253 8.632203 
1 1 1   12   33   14 o   66.214   3.9296  535.688   61.166  578.700   86.364  492.400   86.640   67.807   5.4395   62.121   5.9802 5.686329 8.084049 
1 1 1   12   33   15 o   11.730   1.7209   16.690   4.6250   20.900   6.8698   13.200   6.2549   13.041   2.3156   10.301   2.5777 2.740477 3.465080 
1 1 1   12   33   16 o   44.323   2.7767  236.843   28.915  240.600   40.929  233.100   40.856   44.210   3.9626   43.482   4.0247 0.7271576 5.648071 
1 1 1   12   33   17 o   56.092   3.3685  382.773   44.411  359.500   62.838  406.000   62.775   53.392   5.0438   56.992   4.7067 -3.600346 6.898728 
1 1 1   12   33   18 f   11.353   1.7385   15.681   4.5123   20.000   6.4742   11.600   6.2925   12.756   2.2306   9.6756   2.6679 3.080210 3.477552 
1 1 1   12   33   19 o   28.393   2.1153   96.825   14.081  102.700   19.871   90.900   19.956   29.024   2.9399   27.220   3.1637 1.804071 4.318765 
1 1 1   12   33   20 o   19.122   1.7752   43.914   7.9245   53.800   11.316   34.400   11.101   21.070   2.3124   16.643   2.9318 4.426958 3.733993 
1 1 1   12   33   21 o   43.800   2.7726  232.316   28.528  219.900   40.370  244.700   40.319   41.980   4.1258   44.435   3.8816 -2.455490 5.664688 
1 1 1   12   33   22 o   13.747   1.6442   22.801   5.2312   28.100   7.5465   17.900   7.2581   15.176   2.1673   11.966   2.6396 3.210635 3.415361 
1 1 1   12   33   23 o   20.959   1.8725   52.820   9.1699   50.700   13.031   54.900   12.906   20.307   2.7913   21.188   2.6365 -0.8809643 3.839592 
1 1 1   12   33   24 o   16.394   1.7658   32.404   6.7280   32.100   9.5860   32.700   9.4452   16.124   2.6066   16.296   2.5372 -0.1712189 3.637512 
1 1 1   12   33   25 o   37.919   2.5231  174.028   22.463  151.500   31.787  196.500   31.747   34.756   3.9428   39.916   3.4006 -5.159508 5.206764 
1 1 1   12   33   26 o   18.987   1.8047   43.437   7.9939   42.700   11.206   44.200   11.406   18.620   2.6213   18.951   2.6190 -0.3307076 3.705451 
1 1 1   12   33   27 o   23.122   1.9435   64.500   10.513   72.000   14.867   57.000   14.867   24.229   2.6413   21.398   3.0268 2.831181 4.017248 
1 1 1   12   33   28 o   39.699   2.6113  192.324   24.342  182.200   34.466  202.400   34.384   37.887   3.9086   40.109   3.6711 -2.222359 5.362296 
1 1 1   12   33   29 o   45.100   2.7714  249.696   29.372  286.400   41.684  213.500   41.394   47.586   3.7397   40.542   4.3942 7.043591 5.770115 
1 1 1   12   33   30 o   10.621   2.5602   14.300   6.3457   0.0000   0.0000   14.300   6.3457  ?   ?    10.621   2.5602 0.000000 2.560182 
1 1 1   12   33   31 o   39.565   3.8774  202.000   35.760   0.0000   0.0000  202.000   35.760  ?   ?    39.565   3.8774 0.000000 3.877449 
1 1 1   12   33   32 f   16.548   2.6245   34.400   9.9130   0.0000   0.0000   34.400   9.9130  ?   ?    16.548   2.6245 0.000000 2.624505 
1 1 1   12   33   33 o   25.282   2.9513   80.500   17.288   0.0000   0.0000   80.500   17.288  ?   ?    25.282   2.9513 0.000000 2.951335 
1 1 1   12   33   34 o   4.2018   1.9080  -2.3000   4.1176   0.0000   0.0000  -2.3000   4.1176  ?   ?    4.2018   1.9080 0.000000 1.908038 
1 1 1   12   33   35 o   26.403   3.1421   89.200   19.205   0.0000   0.0000   89.200   19.205  ?   ?    26.403   3.1421 0.000000 3.142120 
1 1 1   12   33   36 o   36.761   3.8768  181.100   33.145   0.0000   0.0000  181.100   33.145  ?   ?    36.761   3.8768 0.000000 3.876819 
1 1 1   12   33   37 o   28.048   3.3584  104.500   21.801   0.0000   0.0000  104.500   21.801  ?   ?    28.048   3.3584 0.000000 3.358441 
1 1 1   12   33   38 o   12.649   2.7788   21.400   8.0733   0.0000   0.0000   21.400   8.0733  ?   ?    12.649   2.7788 0.000000 2.778814 
1 1 1   12   33   39 o   20.874   3.0988   59.700   14.810   0.0000   0.0000   59.700   14.810  ?   ?    20.874   3.0988 0.000000 3.098751 
1 1 1   12   33   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   33   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   33   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   33   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   34    0 o   20.765   2.9511   54.200   13.625   54.200   13.625   54.200   13.625   20.765   2.9511   20.765   2.9511 0.000000 0.000000 
1 1 1   12   34    1 o   21.567   1.9691   55.689   9.9178   60.100   14.043   51.300   14.009   22.278   2.7265   20.504   2.9806 1.774004 4.039533 
1 1 1   12   34    2 o   33.861   2.3745  137.180   18.866  143.400   26.512  130.800   26.852   34.418   3.3027   32.801   3.5219 1.617149 4.828231 
1 1 1   12   34    3 o   21.482   1.9556   55.248   9.8116   59.600   14.044   51.100   13.713   22.178   2.7400   20.473   2.9191 1.705023 4.003573 
1 1 1   12   34    4 o   50.188   3.0199  302.661   35.623  265.400   50.252  340.300   50.506   46.430   4.6458   52.861   4.0777 -6.431618 6.181501 
1 1 1   12   34    5 o   43.849   2.7709  230.667   28.543  227.700   40.481  233.600   40.253   43.193   4.0149   43.781   3.9357 -0.5875702 5.622164 
1 1 1   12   34    6 o   36.149   2.4563  156.505   20.843  175.700   29.396  137.100   29.557   38.103   3.2997   33.482   3.8061 4.621315 5.037287 
1 1 1   12   34    7 o   9.4055   2.0368   10.921   4.3926   13.600   5.6990   7.0000   6.8946   10.479   2.3599   8.1591   2.8765 2.319903 3.720674 
1 1 1   12   34    8 o   42.817   2.8280  220.405   28.432  279.400   40.122  160.900   40.295   47.990   3.5660   35.887   4.8817 12.10298 6.045457 
1 1 1   12   34    9 o   25.554   1.8213   77.952   10.918  103.100   15.683   54.300   15.210   29.325   2.2827   21.035   3.1597 8.290499 3.898040 
1 1 1   12   34   10 o   27.132   2.1586   88.232   13.716   98.400   19.141   77.500   19.664   28.504   2.8834   25.130   3.4011 3.373598 4.458848 
1 1 1   12   34   11 o   17.892   1.8856   38.482   7.8468   42.300   10.792   34.200   11.430   18.647   2.5150   16.621   3.0236 2.026011 3.932843 
1 1 1   12   34   12 o   29.646   2.1296  105.281   14.809   87.900   20.902  122.800   20.984   26.768   3.3822   31.866   2.8178 -5.098299 4.402194 
1 1 1   12   34   13 o   65.508   3.8149  524.334   58.757  511.300   82.731  537.600   83.464   63.497   5.5741   65.198   5.4719 -1.701885 7.810985 
1 1 1   12   34   14 o   8.4297   1.7912   8.7690   3.4556   11.300   5.3021   6.9000   4.5561   9.5366   2.3658   7.5904   2.3239 1.946162 3.316300 
1 1 1   12   34   15 f   39.942   2.5486  192.030   23.912  216.100   33.866  168.100   33.768   42.061   3.4398   36.867   3.9398 5.193916 5.230166 
1 1 1   12   34   16 o   69.486   4.0237  595.167   65.739  662.400   93.026  528.100   92.911   72.018   5.5120   63.571   6.2711 8.447803 8.349182 
1 1 1   12   34   17 o   24.396   1.9692   71.429   11.247   72.800   16.032   70.100   15.783   24.423   2.8325   23.956   2.8457 0.4665108 4.015042 
1 1 1   12   34   18 o   21.289   1.8821   54.437   9.3641   57.900   13.174   50.900   13.313   21.796   2.6116   20.356   2.8476 1.440714 3.863844 
1 1 1   12   34   19 o   7.6382   1.8936   7.2302   3.3983   2.5000   4.8755   11.700   4.7393   5.9846   2.3538   9.7091   2.1261 -3.724497 3.171818 
1 1 1   12   34   20 o   33.600   2.3692  136.071   18.677  122.300   26.531  149.600   26.297   31.407   3.6452   34.945   3.2232 -3.538231 4.865862 
1 1 1   12   34   21 o   26.422   1.9935   83.855   12.346   96.000   17.529   71.900   17.392   28.098   2.6742   24.147   3.1234 3.951603 4.111831 
1 1 1   12   34   22 o   28.169   2.0565   95.383   13.585  107.900   19.343   83.200   19.083   29.758   2.7850   25.972   3.1779 3.785896 4.225574 
1 1 1   12   34   23 o   44.168   2.7589  236.747   28.631  250.000   40.572  223.600   40.408   44.818   3.8717   42.236   4.1034 2.581245 5.641615 
1 1 1   12   34   24 o   13.234   1.8079   21.281   5.5019   26.100   7.6802   16.200   7.8856   14.568   2.3097   11.339   2.9257 3.228877 3.727507 
1 1 1   12   34   25 o   34.413   2.3658  143.373   19.108  132.700   27.052  154.000   26.994   32.591   3.5738   35.282   3.2775 -2.691078 4.849097 
1 1 1   12   34   26 o   26.579   2.0310   85.263   12.651   88.800   17.986   81.800   17.797   26.840   2.8831   25.709   2.9871 1.130606 4.151524 
1 1 1   12   34   27 o   31.652   2.2377  121.483   16.617  129.500   23.916  114.000   23.106   32.265   3.1804   30.200   3.2935 2.064751 4.578448 
1 1 1   12   34   28 o   52.940   4.9382  371.200   61.021   0.0000   0.0000  371.200   61.021  ?   ?    52.940   4.9382 0.000000 4.938230 
1 1 1   12   34   29 o   15.209   2.5228   28.900   8.7426   0.0000   0.0000   28.900   8.7426  ?   ?    15.209   2.5228 0.000000 2.522804 
1 1 1   12   34   30 o   30.652   3.2573  118.700   23.215   0.0000   0.0000  118.700   23.215  ?   ?    30.652   3.2573 0.000000 3.257266 
1 1 1   12   34   31 o   21.651   2.7688   58.700   13.831   0.0000   0.0000   58.700   13.831  ?   ?    21.651   2.7688 0.000000 2.768765 
1 1 1   12   34   32 o   18.383   2.6644   42.400   11.229   0.0000   0.0000   42.400   11.229  ?   ?    18.383   2.6644 0.000000 2.664416 
1 1 1   12   34   33 o   16.721   2.6561   35.300   10.137   0.0000   0.0000   35.300   10.137  ?   ?    16.721   2.6561 0.000000 2.656054 
1 1 1   12   34   34 o   31.176   3.3739  125.300   24.441   0.0000   0.0000  125.300   24.441  ?   ?    31.176   3.3739 0.000000 3.373882 
1 1 1   12   34   35 o   37.799   4.0021  192.800   35.178   0.0000   0.0000  192.800   35.178  ?   ?    37.799   4.0021 0.000000 4.002135 
1 1 1   12   34   36 o   31.699   3.5269  134.700   25.952   0.0000   0.0000  134.700   25.952  ?   ?    31.699   3.5269 0.000000 3.526937 
1 1 1   12   34   37 o   16.990   2.7888   38.100   10.801   0.0000   0.0000   38.100   10.801  ?   ?    16.990   2.7888 0.000000 2.788812 
1 1 1   12   34   38 o   15.211   3.0252   31.800   10.483   0.0000   0.0000   31.800   10.483  ?   ?    15.211   3.0252 0.000000 3.025174 
1 1 1   12   34   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   34   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   34   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   34   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   35    0 o   74.464   6.2944  691.000  108.859  691.000  108.859  691.000  108.859   74.464   6.2944   74.464   6.2944 0.000000 0.000000 
1 1 1   12   35    1 o   33.474   2.2783  134.124   17.901  111.700   25.137  157.200   25.499   30.213   3.5938   36.075   3.0212 -5.861813 4.695016 
1 1 1   12   35    2 o   72.198   4.1818  636.770   70.988  586.400  100.363  687.200  100.423   67.825   6.3399   73.893   5.8019 -6.067703 8.594028 
1 1 1   12   35    3 o   62.326   3.6562  471.348   53.575  511.000   75.816  431.800   75.717   64.139   5.0466   58.638   5.5338 5.501354 7.489376 
1 1 1   12   35    4 o   25.435   1.9619   77.380   11.692   59.800   16.324   95.900   16.755   22.073   3.2272   28.220   2.5416 -6.146616 4.107852 
1 1 1   12   35    5 o   36.196   2.4627  157.179   20.924  165.600   29.456  148.600   29.729   36.894   3.4199   34.855   3.6671 2.039268 5.014359 
1 1 1   12   35    6 f   56.914   3.4055  392.462   45.557  408.000   64.402  376.900   64.453   57.325   4.8019   54.958   5.0220 2.367027 6.948332 
1 1 1   12   35    7 o   52.261   3.0741  329.707   37.769  303.700   53.219  356.100   53.611   49.478   4.6080   53.791   4.2554 -4.313232 6.272361 
1 1 1   12   35    8 o   32.895   2.2020  129.602   17.005  112.800   23.877  146.900   24.226   30.376   3.3864   34.836   2.9735 -4.459455 4.506587 
1 1 1   12   35    9 o   62.971   3.5824  482.359   53.049  444.500   74.595  521.100   75.459   59.361   5.3801   64.589   4.9861 -5.227200 7.335296 
1 1 1   12   35   10 f   45.305   2.7591  247.224   29.376  225.400   41.379  269.400   41.711   42.717   4.1547   46.895   3.7993 -4.178154 5.630000 
1 1 1   12   35   11 o   47.977   2.9398  278.045   33.145  272.600   46.642  283.600   47.109   46.932   4.2549   47.901   4.2075 -0.9682274 5.983912 
1 1 1   12   35   12 o   46.652   2.9130  263.037   31.929  275.100   45.086  250.900   45.225   47.198   4.0856   44.947   4.3140 2.250927 5.941656 
1 1 1   12   35   13 o   17.199   1.8201   35.595   7.2798   32.200   9.9536   39.500   10.675   16.163   2.7034   17.968   2.5908 -1.804668 3.744401 
1 1 1   12   35   14 o   50.239   2.9692  305.637   35.068  350.100   49.713  261.600   49.475   53.265   3.9813   45.638   4.6561 7.627045 6.126171 
1 1 1   12   35   15 o   38.997   2.5457  183.346   23.314  187.200   32.990  179.500   32.952   39.001   3.6235   38.150   3.7046 0.8517990 5.182100 
1 1 1   12   35   16 o   16.039   1.7748   30.993   6.6092   31.200   9.5142   30.800   9.1878   15.911   2.6237   15.826   2.5449 0.8561993E-01 3.655154 
1 1 1   12   35   17 o   29.529   2.1553  104.800   14.925  102.000   21.107  107.600   21.107   28.844   3.1500   29.665   3.0569 -0.8203468 4.389478 
1 1 1   12   35   18 o   46.747   2.9052  265.096   31.911  252.600   45.122  277.600   45.135   44.920   4.3067   47.237   4.0867 -2.317085 5.937051 
1 1 1   12   35   19 f   12.580   1.7142   19.185   4.9597   23.000   7.0760   15.500   6.9536   13.681   2.2699   11.124   2.6791 2.556377 3.511392 
1 1 1   12   35   20 o   34.707   2.3661  145.235   19.276  129.700   27.248  160.800   27.274   32.334   3.6315   36.216   3.2228 -3.882217 4.855328 
1 1 1   12   35   21 o   38.338   2.4408  177.417   21.981  145.600   30.997  209.600   31.175   34.122   3.9181   41.361   3.2173 -7.239117 5.069714 
1 1 1   12   35   22 o   10.389   1.8600   13.267   4.3957   7.3000   6.2519   19.100   6.1817   8.0576   2.7442   12.448   2.1825 -4.390818 3.506326 
1 1 1   12   35   23 o   18.640   1.7912   41.859   7.7873   38.000   10.888   45.900   11.142   17.522   2.7197   19.355   2.4960 -1.833412 3.691419 
1 1 1   12   35   24 o   31.119   2.2176  117.060   16.189  100.500   22.867  133.700   22.923   28.333   3.4917   32.971   2.9763 -4.637903 4.588089 
1 1 1   12   35   25 o   19.031   1.8489   43.762   8.2040   38.700   11.616   48.800   11.588   17.592   2.8973   19.923   2.5195 -2.330994 3.839566 
1 1 1   12   35   26 o   6.3797   2.2916   4.2000   4.3953   0.0000   0.0000   4.2000   4.3953  ?   ?    6.3797   2.2916 0.000000 2.291604 
1 1 1   12   35   27 o   24.060   2.8525   71.900   15.890   0.0000   0.0000   71.900   15.890  ?   ?    24.060   2.8525 0.000000 2.852503 
1 1 1   12   35   28 o   26.865   3.0127   90.300   18.783   0.0000   0.0000   90.300   18.783  ?   ?    26.865   3.0127 0.000000 3.012748 
1 1 1   12   35   29 o   31.285   3.3045  123.900   24.043   0.0000   0.0000  123.900   24.043  ?   ?    31.285   3.3045 0.000000 3.304543 
1 1 1   12   35   30 o   50.807   4.8790  350.100   57.815   0.0000   0.0000  350.100   57.815  ?   ?    50.807   4.8790 0.000000 4.878998 
1 1 1   12   35   31 o   10.919   2.5634   15.200   6.4959   0.0000   0.0000   15.200   6.4959  ?   ?    10.919   2.5634 0.000000 2.563351 
1 1 1   12   35   32 o   39.413   3.9198  203.700   35.997   0.0000   0.0000  203.700   35.997  ?   ?    39.413   3.9198 0.000000 3.919810 
1 1 1   12   35   33 o   11.960   2.9183   18.600   8.1691   0.0000   0.0000   18.600   8.1691  ?   ?    11.960   2.9183 0.000000 2.918317 
1 1 1   12   35   34 o   34.839   3.7281  161.400   30.194   0.0000   0.0000  161.400   30.194  ?   ?    34.839   3.7281 0.000000 3.728127 
1 1 1   12   35   35 o   15.799   3.0006   33.000   10.785   0.0000   0.0000   33.000   10.785  ?   ?    15.799   3.0006 0.000000 3.000580 
1 1 1   12   35   36 o   20.762   2.9806   57.300   14.194   0.0000   0.0000   57.300   14.194  ?   ?    20.762   2.9806 0.000000 2.980634 
1 1 1   12   35   37 o   14.719   2.7503   29.100   9.2077   0.0000   0.0000   29.100   9.2077  ?   ?    14.719   2.7503 0.000000 2.750273 
1 1 1   12   35   38 o   17.569   2.9071   42.200   11.639   0.0000   0.0000   42.200   11.639  ?   ?    17.569   2.9071 0.000000 2.907096 
1 1 1   12   35   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   35   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   35   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   36    0 o   9.0879   3.5599   13.500   7.3117   13.500   7.3117   13.500   7.3117   9.0879   3.5599   9.0879   3.5599 0.000000 0.000000 
1 1 1   12   36    1 o   36.795   2.5018  162.654   21.608  138.800   30.593  186.400   30.524   33.542   3.9375   39.150   3.3335 -5.608219 5.159077 
1 1 1   12   36    2 o   13.114   1.9314   20.893   5.8020   23.700   8.8778   18.800   7.6655   13.812   2.8174   12.290   2.7138 1.521577 3.911853 
1 1 1   12   36    3 o   10.919   1.8577   14.566   4.6183   20.700   6.8670   9.5000   6.2404   12.977   2.3264   8.8882   2.7195 4.088607 3.578829 
1 1 1   12   36    4 o   46.439   2.8812  260.071   31.439  274.200   44.587  246.100   44.336   47.222   4.0373   44.620   4.2596 2.602158 5.868927 
1 1 1   12   36    5 f   37.831   2.4925  171.966   22.141  201.800   31.356  142.300   31.268   40.743   3.2871   33.931   3.9781 6.812801 5.160462 
1 1 1   12   36    6 f   45.516   2.8680  249.965   30.668  258.000   43.330  241.900   43.411   45.765   4.0514   44.232   4.2069 1.532539 5.840566 
1 1 1   12   36    7 o   27.390   2.0902   89.957   13.417   94.300   19.071   85.700   18.880   27.844   2.9453   26.494   3.0750 1.349411 4.257965 
1 1 1   12   36    8 o   56.413   3.3255  386.579   44.103  426.800   62.545  346.800   62.200   58.581   4.5573   52.448   5.0861 6.132713 6.829151 
1 1 1   12   36    9 o   29.138   2.2689  102.067   15.488  123.300   21.720   80.100   22.092   31.868   2.9188   25.361   3.8066 6.507250 4.796766 
1 1 1   12   36   10 o   42.844   2.7275  221.514   27.451  235.700   38.803  207.300   38.840   43.770   3.7917   40.902   4.0757 2.868748 5.566668 
1 1 1   12   36   11 o   68.948   3.5509  580.398   57.616  447.600   80.985  716.500   81.986   58.831   5.9094   75.796   4.6025 -16.96452 7.490269 
1 1 1   12   36   12 o   10.389   1.8323   13.225   4.3307   7.0000   5.6488   22.100   6.7451   7.8347   2.6085   13.429   2.2036 -5.593857 3.414684 
1 1 1   12   36   13 o   29.003   2.1250  101.009   14.452  104.900   20.415   97.100   20.461   29.324   2.9901   28.158   3.1302 1.165810 4.328836 
1 1 1   12   36   14 o   18.647   1.8192   41.800   7.9085   36.300   11.184   47.300   11.184   17.131   2.8661   19.712   2.4560 -2.581646 3.774502 
1 1 1   12   36   15 o   66.332   3.8974  542.666   60.778  504.700   85.915  580.700   85.991   62.273   5.9135   67.277   5.4600 -5.003441 8.048659 
1 1 1   12   36   16 o   21.102   1.8719   53.500   9.2309   53.400   13.031   53.600   13.078   20.890   2.7052   20.928   2.7099 -0.3841972E-01 3.829106 
1 1 1   12   36   17 o   10.857   1.8437   14.432   4.5578   15.700   6.3671   13.100   6.5272   11.222   2.4698   10.242   2.6711 0.9799995 3.637984 
1 1 1   12   36   18 o   7.8478   1.8963   7.6403   3.4750   5.9000   5.2471   9.0000   4.6380   7.3160   2.5137   8.5173   2.2663 -1.201297 3.384455 
1 1 1   12   36   19 o   37.522   2.4722  170.016   21.782  178.100   30.869  162.000   30.740   38.003   3.4784   36.154   3.6507 1.849537 5.042486 
1 1 1   12   36   20 o   39.042   2.5862  184.562   23.708  164.200   33.580  204.800   33.477   36.196   3.9954   40.719   3.5162 -4.523029 5.322280 
1 1 1   12   36   21 o   39.285   2.5920  187.184   23.910  182.400   33.936  191.900   33.692   38.198   3.8132   39.263   3.6768 -1.064938 5.297104 
1 1 1   12   36   22 o   30.165   2.1871  109.897   15.473  102.300   21.878  117.500   21.887   28.697   3.2879   30.883   3.0406 -2.186512 4.478346 
1 1 1   12   36   23 o   26.227   2.0514   83.055   12.603   81.500   17.850   84.600   17.797   25.659   3.0029   26.177   2.9295 -0.5176125 4.195103 
1 1 1   12   36   24 o   25.220   2.0426   76.927   12.060   77.500   17.420   76.400   16.712   24.974   3.0149   24.838   2.9043 0.1363125 4.186202 
1 1 1   12   36   25 o   38.183   3.7279  184.500   33.183   0.0000   0.0000  184.500   33.183  ?   ?    38.183   3.7279 0.000000 3.727887 
1 1 1   12   36   26 o   19.347   2.6963   46.600   11.983   0.0000   0.0000   46.600   11.983  ?   ?    19.347   2.6963 0.000000 2.696251 
1 1 1   12   36   27 o   19.929   2.6932   49.500   12.350   0.0000   0.0000   49.500   12.350  ?   ?    19.929   2.6932 0.000000 2.693239 
1 1 1   12   36   28 o   11.798   2.4741   17.600   6.6726   0.0000   0.0000   17.600   6.6726  ?   ?    11.798   2.4741 0.000000 2.474082 
1 1 1   12   36   29 o   40.996   4.0048  218.800   38.274   0.0000   0.0000  218.800   38.274  ?   ?    40.996   4.0048 0.000000 4.004834 
1 1 1   12   36   30 o   37.030   3.7032  177.100   31.947   0.0000   0.0000  177.100   31.947  ?   ?    37.030   3.7032 0.000000 3.703167 
1 1 1   12   36   31 o   6.7687   2.2249   5.4000   4.1144   0.0000   0.0000   5.4000   4.1144  ?   ?    6.7687   2.2249 0.000000 2.224913 
1 1 1   12   36   32 o   11.271   2.4231   16.200   6.2573   0.0000   0.0000   16.200   6.2573  ?   ?    11.271   2.4231 0.000000 2.423134 
1 1 1   12   36   33 o   41.783   4.3906  241.900   42.672   0.0000   0.0000  241.900   42.672  ?   ?    41.783   4.3906 0.000000 4.390594 
1 1 1   12   36   34 o   8.2752   2.7561   8.5000   6.3061   0.0000   0.0000   8.5000   6.3061  ?   ?    8.2752   2.7561 0.000000 2.756131 
1 1 1   12   36   35 o   17.501   2.8361   40.500   11.319   0.0000   0.0000   40.500   11.319  ?   ?    17.501   2.8361 0.000000 2.836086 
1 1 1   12   36   36 o   30.858   3.7404  136.600   26.698   0.0000   0.0000  136.600   26.698  ?   ?    30.858   3.7404 0.000000 3.740395 
1 1 1   12   36   37 o   12.215   2.8939   20.700   8.2191   0.0000   0.0000   20.700   8.2191  ?   ?    12.215   2.8939 0.000000 2.893889 
1 1 1   12   36   38 o   2.5229   1.2574  -7.5000   3.0001   0.0000   0.0000  -7.5000   3.0001  ?   ?    2.5229   1.2574 0.000000 1.257365 
1 1 1   12   36   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   36   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   37    0 o   21.350   3.0760   57.600   14.572   57.600   14.572   57.600   14.572   21.350   3.0760   21.350   3.0760 0.000000 0.000000 
1 1 1   12   37    1 o   15.860   2.0603   30.483   7.5336   38.100   10.776   23.200   10.536   17.627   2.6728   13.579   3.3150 4.047932 4.258244 
1 1 1   12   37    2 o   4.7360   1.9989   0.2415   3.8323  -4.0000   5.3533   4.7000   5.4885   4.6321   2.1305   6.9667   2.5522 -2.334609 3.324568 
1 1 1   12   37    3 o   26.724   2.1227   85.747   13.285   91.900   18.644   79.400   18.935   27.476   2.9182   25.431   3.2257 2.044996 4.349832 
1 1 1   12   37    4 o   15.324   1.8405   28.342   6.5269   30.400   9.7968   26.700   8.7521   15.688   2.7445   14.708   2.6158 0.9801559 3.791428 
1 1 1   12   37    5 o   27.162   1.9358   88.327   12.334  128.200   17.726   50.900   17.174   32.662   2.3133   20.128   3.7514 12.53407 4.407261 
1 1 1   12   37    6 o   35.236   2.4281  149.384   20.080  128.000   28.419  170.700   28.375   32.155   3.8175   37.413   3.2439 -5.258484 5.009583 
1 1 1   12   37    7 f   24.595   1.9926   72.584   11.473   92.100   16.450   54.100   16.009   27.594   2.5536   20.873   3.3624 6.721233 4.222112 
1 1 1   12   37    8 o   44.408   2.7100  238.034   28.282  262.500   40.391  214.500   39.614   46.203   3.7341   41.572   4.0882 4.630531 5.536917 
1 1 1   12   37    9 o   47.027   2.9309  267.829   32.385  238.800   45.782  296.900   45.816   43.654   4.5062   49.010   3.9936 -5.356102 6.021146 
1 1 1   12   37   10 o   31.135   2.3053  116.647   16.829  135.400   23.646   97.400   23.955   33.338   3.0370   28.006   3.7140 5.332281 4.797613 
1 1 1   12   37   11 o   48.375   3.0168  283.953   34.290  284.900   48.407  283.000   48.580   47.782   4.3375   47.602   4.3707 0.1803169 6.157722 
1 1 1   12   37   12 o   16.324   1.8316   32.132   6.9384   31.000   9.9583   33.200   9.6727   15.825   2.7655   16.436   2.5769 -0.6109018 3.779985 
1 1 1   12   37   13 o   41.229   2.6483  205.359   25.646  197.900   36.292  212.800   36.247   39.949   3.8968   41.515   3.7375 -1.566086 5.399444 
1 1 1   12   37   14 o   24.524   1.9920   72.257   11.436   88.600   16.145   55.800   16.201   27.032   2.5598   21.174   3.3518 5.858027 4.217453 
1 1 1   12   37   15 o   30.766   2.1986  113.850   15.867  113.700   22.457  114.000   22.423   30.449   3.1697   30.493   3.1600 -0.4384422E-01 4.475774 
1 1 1   12   37   16 o   27.742   2.1002   92.560   13.657   94.400   19.263   90.700   19.364   27.765   2.9849   27.182   3.0707 0.5836868 4.282397 
1 1 1   12   37   17 o   32.546   2.3222  127.703   17.730  118.000   25.209  137.200   24.940   30.867   3.5217   33.441   3.1973 -2.573854 4.756561 
1 1 1   12   37   18 o   3.0323   1.2794   0.0895   1.5689  -2.5000   2.4458   1.9000   2.0450   2.9651   1.3894   4.3537   1.5632 -1.388568 2.091425 
1 1 1   12   37   19 o   13.655   1.8049   22.631   5.6771   30.800   7.9660   14.200   8.0927   15.882   2.1817   10.664   3.0563 5.218294 3.755121 
1 1 1   12   37   20 o   43.443   2.7169  229.683   27.730  251.600   39.414  208.200   39.023   44.883   3.7533   40.570   4.1310 4.312859 5.581444 
1 1 1   12   37   21 o   17.498   1.7045   36.893   6.9533   45.300   9.9926   29.000   9.6817   19.279   2.2365   15.222   2.7966 4.057231 3.580935 
1 1 1   12   37   22 o   9.7305   1.8928   11.722   4.1926   15.000   5.9547   8.5000   5.9040   10.941   2.3732   8.4030   2.6571 2.537495 3.562604 
1 1 1   12   37   23 o   18.779   2.6599   43.700   11.465   0.0000   0.0000   43.700   11.465  ?   ?    18.779   2.6599 0.000000 2.659910 
1 1 1   12   37   24 o   34.101   3.4634  146.500   27.501   0.0000   0.0000  146.500   27.501  ?   ?    34.101   3.4634 0.000000 3.463365 
1 1 1   12   37   25 o   14.791   2.5648   27.400   8.6333   0.0000   0.0000   27.400   8.6333  ?   ?    14.791   2.5648 0.000000 2.564795 
1 1 1   12   37   26 o   50.306   4.7834  338.500   56.137   0.0000   0.0000  338.500   56.137  ?   ?    50.306   4.7834 0.000000 4.783365 
1 1 1   12   37   27 o   34.604   3.5447  152.800   28.556   0.0000   0.0000  152.800   28.556  ?   ?    34.604   3.5447 0.000000 3.544723 
1 1 1   12   37   28 o   30.047   3.2304  114.200   22.560   0.0000   0.0000  114.200   22.560  ?   ?    30.047   3.2304 0.000000 3.230427 
1 1 1   12   37   29 o   18.279   2.6850   42.000   11.244   0.0000   0.0000   42.000   11.244  ?   ?    18.279   2.6850 0.000000 2.685017 
1 1 1   12   37   30 o   8.9284   2.5106   10.100   5.5145   0.0000   0.0000   10.100   5.5145  ?   ?    8.9284   2.5106 0.000000 2.510627 
1 1 1   12   37   31 o   24.669   2.9724   77.600   16.966   0.0000   0.0000   77.600   16.966  ?   ?    24.669   2.9724 0.000000 2.972417 
1 1 1   12   37   32 o   28.226   3.2779  104.100   21.441   0.0000   0.0000  104.100   21.441  ?   ?    28.226   3.2779 0.000000 3.277890 
1 1 1   12   37   33 o   10.218   2.5740   13.700   6.2073   0.0000   0.0000   13.700   6.2073  ?   ?    10.218   2.5740 0.000000 2.573973 
1 1 1   12   37   34 o   14.578   2.9416   28.600   9.7767   0.0000   0.0000   28.600   9.7767  ?   ?    14.578   2.9416 0.000000 2.941569 
1 1 1   12   37   35 o   14.936   2.9243   30.400   9.9446   0.0000   0.0000   30.400   9.9446  ?   ?    14.936   2.9243 0.000000 2.924272 
1 1 1   12   37   36 o   10.333   2.8486   14.800   7.1747   0.0000   0.0000   14.800   7.1747  ?   ?    10.333   2.8486 0.000000 2.848583 
1 1 1   12   37   37 o   15.069   3.0163   31.900   10.359   0.0000   0.0000   31.900   10.359  ?   ?    15.069   3.0163 0.000000 3.016266 
1 1 1   12   37   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   37   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   38    0 o   59.406   5.1968  439.900   71.618  439.900   71.618  439.900   71.618   59.406   5.1968   59.406   5.1968 0.000000 0.000000 
1 1 1   12   38    1 o   8.1509   2.6165   7.8000   5.7087   7.8000   5.7087   0.0000   0.0000   8.1509   2.6165  ?   ?  0.000000 2.616534 
1 1 1   12   38    2 o   18.662   1.9148   41.926   8.3188   49.300   11.667   34.300   11.865   20.126   2.5094   16.581   3.1453 3.544882 4.023712 
1 1 1   12   38    3 o   38.915   2.4672  182.260   22.554  160.800   31.512  204.800   32.295   36.089   3.7526   40.934   3.3711 -4.844097 5.044441 
1 1 1   12   38    4 o   34.482   2.2749  142.831   18.419  199.700   26.157   86.900   25.940   40.651   2.7409   26.206   4.3440 14.44456 5.136422 
1 1 1   12   38    5 o   29.219   2.0988  102.450   14.385  120.300   20.549   85.300   20.143   31.490   2.7925   26.320   3.3144 5.169455 4.333934 
1 1 1   12   38    6 o   26.284   2.0607   82.953   12.687   83.600   17.907   82.300   17.978   26.162   2.9501   25.944   2.9894 0.2179813 4.199939 
1 1 1   12   38    7 o   40.402   2.3863  196.249   22.665  147.800   31.567  247.800   32.563   34.489   3.9472   45.162   3.0717 -10.67289 5.001531 
1 1 1   12   38    8 o   22.713   1.9399   61.948   10.304   62.200   14.644   61.700   14.503   22.555   2.8103   22.468   2.7939 0.8764458E-01 3.962791 
1 1 1   12   38    9 o   36.269   2.4699  158.555   21.028  131.800   29.768  185.200   29.707   32.524   3.9576   38.927   3.2619 -6.402641 5.128561 
1 1 1   12   38   10 o   51.057   3.1381  317.160   37.651  282.700   53.216  351.700   53.277   47.243   4.8386   53.113   4.2844 -5.870487 6.462777 
1 1 1   12   38   11 o   21.444   2.0352   55.385   10.182   45.800   14.799   64.000   14.030   19.133   3.4001   22.921   2.6405 -3.787619 4.305038 
1 1 1   12   38   12 o   39.985   2.3395  192.301   21.993  254.400   31.441  132.800   30.776   45.785   2.9234   32.561   4.0932 13.22403 5.029962 
1 1 1   12   38   13 o   51.004   3.1609  317.138   37.882  300.400   53.716  333.700   53.432   48.701   4.7306   51.557   4.4319 -2.856350 6.482359 
1 1 1   12   38   14 o   24.796   1.9595   73.853   11.380   61.300   16.001   86.700   16.188   22.270   3.1291   26.716   2.5988 -4.446239 4.067563 
1 1 1   12   38   15 o   13.377   1.7347   21.669   5.3506   27.100   7.7826   16.800   7.3683   14.867   2.2904   11.571   2.7391 3.295665 3.570535 
1 1 1   12   38   16 o   38.393   2.5212  178.322   22.730  173.600   32.051  183.100   32.241   37.380   3.6788   38.440   3.5936 -1.059746 5.142670 
1 1 1   12   38   17 o   8.3281   1.8776   8.6114   3.6043   4.4000   5.0179   13.100   5.1804   6.6823   2.4415   10.258   2.2044 -3.575514 3.289416 
1 1 1   12   38   18 o   22.684   1.9588   62.040   10.389   56.700   14.821   67.200   14.568   21.372   3.0210   23.411   2.6837 -2.038816 4.040834 
1 1 1   12   38   19 o   72.757   4.3884  673.538   75.042  656.100  106.242  690.900  106.010   68.758   6.6255   70.913   6.3997 -2.155167 9.211628 
1 1 1   12   38   20 o   4.3407   1.8772  -0.4000   3.5311   0.0000   0.0000  -0.4000   3.5311  ?   ?    4.3407   1.8772 0.000000 1.877219 
1 1 1   12   38   21 o   16.989   2.5978   35.800   10.090   0.0000   0.0000   35.800   10.090  ?   ?    16.989   2.5978 0.000000 2.597774 
1 1 1   12   38   22 f   26.912   3.0402   90.200   18.982   0.0000   0.0000   90.200   18.982  ?   ?    26.912   3.0402 0.000000 3.040237 
1 1 1   12   38   23 o   36.822   3.6701  172.300   31.487   0.0000   0.0000  172.300   31.487  ?   ?    36.822   3.6701 0.000000 3.670105 
1 1 1   12   38   24 o   13.537   2.6023   23.100   8.0164   0.0000   0.0000   23.100   8.0164  ?   ?    13.537   2.6023 0.000000 2.602326 
1 1 1   12   38   25 o   41.089   4.0039  218.600   38.355   0.0000   0.0000  218.600   38.355  ?   ?    41.089   4.0039 0.000000 4.003943 
1 1 1   12   38   26 o   21.581   2.7712   58.200   13.795   0.0000   0.0000   58.200   13.795  ?   ?    21.581   2.7712 0.000000 2.771167 
1 1 1   12   38   27 o   21.134   2.7845   56.000   13.557   0.0000   0.0000   56.000   13.557  ?   ?    21.134   2.7845 0.000000 2.784516 
1 1 1   12   38   28 o   26.776   3.0624   90.700   19.014   0.0000   0.0000   90.700   19.014  ?   ?    26.776   3.0624 0.000000 3.062370 
1 1 1   12   38   29 o   19.728   2.7762   49.200   12.575   0.0000   0.0000   49.200   12.575  ?   ?    19.728   2.7762 0.000000 2.776172 
1 1 1   12   38   30 o   18.242   2.6964   42.300   11.265   0.0000   0.0000   42.300   11.265  ?   ?    18.242   2.6964 0.000000 2.696410 
1 1 1   12   38   31 o   11.145   2.8902   16.400   7.6701   0.0000   0.0000   16.400   7.6701  ?   ?    11.145   2.8902 0.000000 2.890154 
1 1 1   12   38   32 o   6.7639   2.5548   4.6000   5.5796   0.0000   0.0000   4.6000   5.5796  ?   ?    6.7639   2.5548 0.000000 2.554835 
1 1 1   12   38   33 o   4.9787   1.9511   2.0000   3.3392   0.0000   0.0000   2.0000   3.3392  ?   ?    4.9787   1.9511 0.000000 1.951123 
1 1 1   12   38   34 o   15.193   2.7870   31.100   9.6303   0.0000   0.0000   31.100   9.6303  ?   ?    15.193   2.7870 0.000000 2.787006 
1 1 1   12   38   35 o   16.409   3.0212   37.300   11.275   0.0000   0.0000   37.300   11.275  ?   ?    16.409   3.0212 0.000000 3.021226 
1 1 1   12   38   36 o   8.0856   2.7450   8.6000   6.2553   0.0000   0.0000   8.6000   6.2553  ?   ?    8.0856   2.7450 0.000000 2.745019 
1 1 1   12   38   37 o   2.4218   1.2074  -7.0000   2.7756   0.0000   0.0000  -7.0000   2.7756  ?   ?    2.4218   1.2074 0.000000 1.207360 
1 1 1   12   39    0 o   4.2543   2.5524   2.2000   4.6024   2.2000   4.6024   2.2000   4.6024   4.2543   2.5524   4.2543   2.5524 0.000000 0.000000 
1 1 1   12   39    1 o   22.468   1.9554   60.652   10.271   70.000   14.563   51.400   14.488   23.998   2.6121   20.390   3.1073 3.607983 4.059370 
1 1 1   12   39    2 o   13.916   1.7815   23.424   5.7198   16.600   7.8616   31.100   8.3375   11.509   2.8954   15.966   2.2758 -4.457663 3.682731 
1 1 1   12   39    3 o   7.9115   2.1432   7.7283   4.1031   14.800   5.5494  -0.8000   6.0942   10.931   2.2255   5.6728   2.4597 5.258690 3.317087 
1 1 1   12   39    4 o   32.382   2.1984  125.966   16.711  100.900   23.412  152.000   23.860   28.559   3.5482   35.379   2.8810 -6.820078 4.570570 
1 1 1   12   39    5 o   14.295   1.8403   24.736   6.0678   27.900   8.7468   21.800   8.4245   15.043   2.5537   13.213   2.7878 1.830523 3.780615 
1 1 1   12   39    6 o   61.297   3.5447  460.046   51.089  381.100   72.090  539.700   72.413   54.251   5.7133   65.534   4.7108 -11.28276 7.404951 
1 1 1   12   39    7 o   10.507   2.1377   13.663   5.1233   15.600   6.9117   11.300   7.6328   11.169   2.6590   9.6802   3.0153 1.488314 4.020234 
1 1 1   12   39    8 f   83.087   4.8550  870.967   94.841  782.700  133.987  959.600  134.264   75.321   7.6390   84.737   6.7665 -9.416336 10.20488 
1 1 1   12   39    9 o   36.577   2.4132  161.236   20.726  131.200   29.231  191.600   29.391   32.443   3.8934   39.607   3.1691 -7.164268 5.020107 
1 1 1   12   39   10 o   7.1206   2.0696   6.1802   3.6874   1.4000   4.5789   15.000   6.2197   5.4949   2.2395   10.966   2.4622 -5.471454 3.328290 
1 1 1   12   39   11 o   32.417   2.2519  126.484   17.131  132.400   24.584  120.900   23.885   32.855   3.2098   31.360   3.2736 1.495466 4.584706 
1 1 1   12   39   12 o   36.508   2.3408  160.614   20.074  180.000   29.051  142.900   27.770   38.314   3.2414   33.998   3.5096 4.315720 4.777441 
1 1 1   12   39   13 o   14.529   1.8355   25.577   6.1568   30.800   9.5045   21.800   8.0816   15.777   2.6448   13.211   2.6821 2.565534 3.766787 
1 1 1   12   39   14 o   26.487   2.0314   84.452   12.609   99.000   17.892   70.100   17.771   28.495   2.6909   23.752   3.2540 4.743376 4.222517 
1 1 1   12   39   15 o   36.752   2.3860  163.324   20.595  179.800   29.376  147.400   28.881   38.175   3.2909   34.388   3.6106 3.787113 4.885322 
1 1 1   12   39   16 o   21.998   1.8843   58.288   9.6936   65.800   14.016   51.400   13.421   23.185   2.6052   20.378   2.8686 2.807283 3.874991 
1 1 1   12   39   17 o   15.527   1.9082   29.285   6.8493   29.000   10.449   29.500   9.0698   15.157   3.0253   15.414   2.5833 -0.2566366 3.978173 
1 1 1   12   39   18 o   48.145   4.4555  297.900   50.079   0.0000   0.0000  297.900   50.079  ?   ?    48.145   4.4555 0.000000 4.455514 
1 1 1   12   39   19 o   14.547   2.6806   26.500   8.8686   0.0000   0.0000   26.500   8.8686  ?   ?    14.547   2.6806 0.000000 2.680557 
1 1 1   12   39   20 o   19.582   2.7038   47.600   12.169   0.0000   0.0000   47.600   12.169  ?   ?    19.582   2.7038 0.000000 2.703820 
1 1 1   12   39   21 o   45.226   4.2912  265.200   45.278   0.0000   0.0000  265.200   45.278  ?   ?    45.226   4.2912 0.000000 4.291151 
1 1 1   12   39   22 o   49.254   4.6431  320.500   53.365   0.0000   0.0000  320.500   53.365  ?   ?    49.254   4.6431 0.000000 4.643148 
1 1 1   12   39   23 o   21.037   2.7554   55.200   13.359   0.0000   0.0000   55.200   13.359  ?   ?    21.037   2.7554 0.000000 2.755434 
1 1 1   12   39   24 o   48.747   4.6396  316.000   52.762   0.0000   0.0000  316.000   52.762  ?   ?    48.747   4.6396 0.000000 4.639620 
1 1 1   12   39   25 o   26.589   3.0509   88.900   18.808   0.0000   0.0000   88.900   18.808  ?   ?    26.589   3.0509 0.000000 3.050865 
1 1 1   12   39   26 o   10.293   2.5358   13.500   6.1235   0.0000   0.0000   13.500   6.1235  ?   ?    10.293   2.5358 0.000000 2.535843 
1 1 1   12   39   27 o   13.238   2.6304   22.300   7.9330   0.0000   0.0000   22.300   7.9330  ?   ?    13.238   2.6304 0.000000 2.630422 
1 1 1   12   39   28 o   20.119   2.7401   51.200   12.679   0.0000   0.0000   51.200   12.679  ?   ?    20.119   2.7401 0.000000 2.740095 
1 1 1   12   39   29 o   7.8414   2.4860   7.6000   5.1656   0.0000   0.0000   7.6000   5.1656  ?   ?    7.8414   2.4860 0.000000 2.485988 
1 1 1   12   39   30 o   8.2031   2.5762   8.5000   5.5588   0.0000   0.0000   8.5000   5.5588  ?   ?    8.2031   2.5762 0.000000 2.576190 
1 1 1   12   39   31 o   8.9972   2.6055   10.600   5.8541   0.0000   0.0000   10.600   5.8541  ?   ?    8.9972   2.6055 0.000000 2.605524 
1 1 1   12   39   32 o   13.541   2.8765   24.800   8.9139   0.0000   0.0000   24.800   8.9139  ?   ?    13.541   2.8765 0.000000 2.876483 
1 1 1   12   39   33 o   17.481   2.9765   41.600   11.846   0.0000   0.0000   41.600   11.846  ?   ?    17.481   2.9765 0.000000 2.976500 
1 1 1   12   39   34 o   16.439   2.8689   36.900   10.732   0.0000   0.0000   36.900   10.732  ?   ?    16.439   2.8689 0.000000 2.868943 
1 1 1   12   39   35 o   15.585   2.7564   33.100   9.7725   0.0000   0.0000   33.100   9.7725  ?   ?    15.585   2.7564 0.000000 2.756350 
1 1 1   12   39   36 o   8.6390   2.7411   10.200   6.2790   0.0000   0.0000   10.200   6.2790  ?   ?    8.6390   2.7411 0.000000 2.741052 
1 1 1   12   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   40    1 o   55.939   3.3455  382.211   43.989  306.800   62.133  458.000   62.288   48.735   5.4949   60.546   4.3865 -11.81031 7.031011 
1 1 1   12   40    2 o   50.820   3.0646  313.968   36.604  359.700   51.870  268.600   51.663   53.803   4.1139   46.021   4.8258 7.782127 6.341313 
1 1 1   12   40    3 o   23.261   2.0267   65.092   11.021   70.200   15.928   60.400   15.265   23.949   2.8739   22.156   2.9944 1.792833 4.150374 
1 1 1   12   40    4 o   10.795   2.0115   14.351   4.9389   28.900   7.2889   2.0000   6.7155   15.424   2.0522   6.6201   2.7067 8.803486 3.396725 
1 1 1   12   40    5 o   10.357   2.2729   13.339   5.4061   0.9000   8.0626   23.500   7.2870   6.9029   2.9057   13.825   2.3139 -6.922037 3.714481 
1 1 1   12   40    6 o   23.676   2.0714   67.494   11.464   51.400   16.393   82.900   16.039   20.231   3.5615   26.112   2.6373 -5.881613 4.431637 
1 1 1   12   40    7 o   57.697   3.4899  408.530   47.324  424.600   66.967  392.500   66.885   57.735   4.9602   55.315   5.1810 2.419701 7.172628 
1 1 1   12   40    8 o   57.690   3.4836  408.747   47.233  394.500   66.790  423.000   66.805   55.419   5.1632   57.573   4.9624 -2.153606 7.161307 
1 1 1   12   40    9 o   28.797   2.1556   99.870   14.552  105.000   20.744   94.900   20.419   29.254   3.0478   27.753   3.1728 1.500860 4.399476 
1 1 1   12   40   10 o   6.0803   2.0409   4.1568   3.4573   12.300   5.1988  -2.3000   4.6293   9.9313   2.2668   4.5441   2.0471 5.387169 3.054334 
1 1 1   12   40   11 o   23.669   1.9431   67.422   10.764   75.800   15.391   59.400   15.061   24.910   2.6576   21.917   2.9879 2.992594 3.998827 
1 1 1   12   40   12 o   12.091   1.8513   17.856   5.1177   21.800   7.6758   14.700   6.8665   13.228   2.5499   10.813   2.6980 2.414513 3.712277 
1 1 1   12   40   13 o   16.786   1.8968   34.115   7.3864   34.800   11.280   33.600   9.7731   16.674   2.9741   16.483   2.5968 0.1903877 3.948248 
1 1 1   12   40   14 o   6.7688   2.0764   5.5094   3.6353  -1.0000   6.1531   9.0000   4.5058   5.6364   2.4575   8.4959   2.2210 -2.859541 3.312474 
1 1 1   12   40   15 f   23.359   2.8077   67.300   15.176   0.0000   0.0000   67.300   15.176  ?   ?    23.359   2.8077 0.000000 2.807684 
1 1 1   12   40   16 o   14.913   2.5921   27.700   8.7968   0.0000   0.0000   27.700   8.7968  ?   ?    14.913   2.5921 0.000000 2.592089 
1 1 1   12   40   17 o   12.128   2.5707   18.500   7.1336   0.0000   0.0000   18.500   7.1336  ?   ?    12.128   2.5707 0.000000 2.570694 
1 1 1   12   40   18 o   26.664   3.0205   88.500   18.683   0.0000   0.0000   88.500   18.683  ?   ?    26.664   3.0205 0.000000 3.020509 
1 1 1   12   40   19 o   28.946   3.1318  104.700   21.065   0.0000   0.0000  104.700   21.065  ?   ?    28.946   3.1318 0.000000 3.131779 
1 1 1   12   40   20 o   41.349   3.9959  220.000   38.530   0.0000   0.0000  220.000   38.530  ?   ?    41.349   3.9959 0.000000 3.995915 
1 1 1   12   40   21 o   4.9071   1.9151   1.8000   3.2067   0.0000   0.0000   1.8000   3.2067  ?   ?    4.9071   1.9151 0.000000 1.915072 
1 1 1   12   40   22 o   23.839   2.9205   71.100   16.096   0.0000   0.0000   71.100   16.096  ?   ?    23.839   2.9205 0.000000 2.920513 
1 1 1   12   40   23 o   18.529   2.6678   42.900   11.336   0.0000   0.0000   42.900   11.336  ?   ?    18.529   2.6678 0.000000 2.667788 
1 1 1   12   40   24 o   28.880   3.1455  105.300   21.104   0.0000   0.0000  105.300   21.104  ?   ?    28.880   3.1455 0.000000 3.145486 
1 1 1   12   40   25 o   20.575   2.7737   53.200   13.132   0.0000   0.0000   53.200   13.132  ?   ?    20.575   2.7737 0.000000 2.773692 
1 1 1   12   40   26 o   32.504   3.4416  136.200   26.013   0.0000   0.0000  136.200   26.013  ?   ?    32.504   3.4416 0.000000 3.441558 
1 1 1   12   40   27 o   10.694   2.6860   14.800   6.7734   0.0000   0.0000   14.800   6.7734  ?   ?    10.694   2.6860 0.000000 2.685960 
1 1 1   12   40   28 o  ?   ?   -3.3000   0.8303   0.0000   0.0000  -3.3000   0.8303  ?   ?   ?   ?  0.000000      ? 
1 1 1   12   40   29 o   8.4533   2.5281   9.2000   5.4375   0.0000   0.0000   9.2000   5.4375  ?   ?    8.4533   2.5281 0.000000 2.528141 
1 1 1   12   40   30 f   11.227   2.5939   16.700   6.7386   0.0000   0.0000   16.700   6.7386  ?   ?    11.227   2.5939 0.000000 2.593923 
1 1 1   12   40   31 o   6.7772   2.6351   4.4000   6.0540   0.0000   0.0000   4.4000   6.0540  ?   ?    6.7772   2.6351 0.000000 2.635111 
1 1 1   12   40   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   40   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   40   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41    0 o  ?   ?  -14.2000   3.5015 -14.2000   3.5015 -14.2000   3.5015  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   12   41    1 o   16.907   2.0163   34.647   7.8911   29.700   11.840   38.600   10.584   15.309   3.3669   17.715   2.6083 -2.406036 4.258993 
1 1 1   12   41    2 o   10.912   2.1723   14.756   5.4009   18.100   8.5089   12.500   6.9893   11.981   3.0111   10.024   2.8292 1.956631 4.131707 
1 1 1   12   41    3 o   51.663   3.1818  326.482   38.628  346.100   54.653  306.900   54.603   52.338   4.4648   49.038   4.7761 3.300297 6.538000 
1 1 1   12   41    4 o   9.8239   2.3899   12.061   5.4909   13.100   8.1564   11.200   7.4257   10.310   3.0993   9.6006   2.9714 0.7090788 4.293597 
1 1 1   12   41    5 o   39.136   2.4158  184.987   22.216  137.600   31.033  234.800   31.818   33.040   4.0632   43.805   3.0959 -10.76490 5.108296 
1 1 1   12   41    6 o   12.722   2.0176   19.826   5.8588   24.700   9.3721   16.700   7.5064   14.018   2.9259   11.519   2.7893 2.498514 4.042440 
1 1 1   12   41    7 o   18.070   1.9843   39.520   8.3274   35.800   11.448   43.700   12.135   16.932   2.9717   18.794   2.8217 -1.861492 4.097882 
1 1 1   12   41    8 o   19.548   1.9771   46.176   9.0006   48.100   12.992   44.400   12.481   19.713   2.8757   18.923   2.8843 0.7905560 4.072963 
1 1 1   12   41    9 o   36.615   2.2984  161.902   19.771  188.200   28.499  137.500   27.452   39.137   3.1094   33.213   3.5555 5.923702 4.723385 
1 1 1   12   41   10 o   27.028   2.1113   88.189   13.368   91.000   19.307   85.600   18.526   27.135   3.0670   26.321   3.0364 0.8149319 4.315824 
1 1 1   12   41   11 f   41.101   2.4203  204.625   23.387  247.000   33.578  164.700   32.592   44.761   3.1978   36.141   3.8797 8.619869 5.027739 
1 1 1   12   41   12 o   42.799   2.7578  223.645   27.723  199.700   39.202  247.600   39.210   39.542   4.2660   44.421   3.7738 -4.878658 5.695659 
1 1 1   12   41   13 o   8.7702   2.5788   9.5000   5.6958   0.0000   0.0000   9.5000   5.6958  ?   ?    8.7702   2.5788 0.000000 2.578786 
1 1 1   12   41   14 o   43.458   4.1070  240.700   41.647   0.0000   0.0000  240.700   41.647  ?   ?    43.458   4.1070 0.000000 4.107015 
1 1 1   12   41   15 o   24.151   2.9001   72.400   16.208   0.0000   0.0000   72.400   16.208  ?   ?    24.151   2.9001 0.000000 2.900083 
1 1 1   12   41   16 o   31.903   3.3228  127.600   24.665   0.0000   0.0000  127.600   24.665  ?   ?    31.903   3.3228 0.000000 3.322793 
1 1 1   12   41   17 o   35.441   3.5679  158.900   29.454   0.0000   0.0000  158.900   29.454  ?   ?    35.441   3.5679 0.000000 3.567942 
1 1 1   12   41   18 o   8.8803   2.4399   9.9000   5.2740   0.0000   0.0000   9.9000   5.2740  ?   ?    8.8803   2.4399 0.000000 2.439931 
1 1 1   12   41   19 o   21.829   2.7999   59.400   14.100   0.0000   0.0000   59.400   14.100  ?   ?    21.829   2.7999 0.000000 2.799871 
1 1 1   12   41   20 o   22.878   2.8379   65.300   15.002   0.0000   0.0000   65.300   15.002  ?   ?    22.878   2.8379 0.000000 2.837852 
1 1 1   12   41   21 o   21.562   2.8006   58.100   13.923   0.0000   0.0000   58.100   13.923  ?   ?    21.562   2.8006 0.000000 2.800561 
1 1 1   12   41   22 o   19.469   2.7369   47.500   12.235   0.0000   0.0000   47.500   12.235  ?   ?    19.469   2.7369 0.000000 2.736906 
1 1 1   12   41   23 o   19.262   2.7355   46.600   12.093   0.0000   0.0000   46.600   12.093  ?   ?    19.262   2.7355 0.000000 2.735487 
1 1 1   12   41   24 o   11.585   2.5080   17.100   6.6621   0.0000   0.0000   17.100   6.6621  ?   ?    11.585   2.5080 0.000000 2.508022 
1 1 1   12   41   25 o   12.385   2.5368   19.600   7.1695   0.0000   0.0000   19.600   7.1695  ?   ?    12.385   2.5368 0.000000 2.536818 
1 1 1   12   41   26 o   11.977   2.6641   18.600   7.3401   0.0000   0.0000   18.600   7.3401  ?   ?    11.977   2.6641 0.000000 2.664103 
1 1 1   12   41   27 f   22.408   3.0003   65.500   15.477   0.0000   0.0000   65.500   15.477  ?   ?    22.408   3.0003 0.000000 3.000266 
1 1 1   12   41   28 o   16.237   3.0717   35.300   11.346   0.0000   0.0000   35.300   11.346  ?   ?    16.237   3.0717 0.000000 3.071703 
1 1 1   12   41   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   41   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42    0 o   25.807   3.2222   83.600   18.808   83.600   18.808   83.600   18.808   25.807   3.2222   25.807   3.2222 0.000000 0.000000 
1 1 1   12   42    1 o   15.272   2.6607   29.000   9.2464   0.0000   0.0000   29.000   9.2464  ?   ?    15.272   2.6607 0.000000 2.660658 
1 1 1   12   42    2 o   23.255   2.1067   65.392   11.443   56.600   16.520   73.500   15.865   21.215   3.4136   24.458   2.7974 -3.242945 4.413353 
1 1 1   12   42    3 o   10.053   2.2595   12.623   5.2332   6.8000   7.5170   18.100   7.2899   8.1911   2.9890   12.004   2.6433 -3.812763 3.990119 
1 1 1   12   42    4 o   33.271   2.3614  134.052   18.432  109.600   26.014  158.700   26.118   29.464   3.8295   35.897   3.1121 -6.432508 4.934567 
1 1 1   12   42    5 o   23.311   2.0730   65.691   11.292   53.400   16.238   77.200   15.713   20.560   3.4681   25.097   2.6936 -4.536701 4.391238 
1 1 1   12   42    6 o   63.646   3.8006  506.194   56.859  416.300   80.319  596.500   80.503   55.167   6.2774   67.685   5.0737 -12.51820 8.071446 
1 1 1   12   42    7 o   36.387   2.3702  160.377   20.254  115.200   28.421  207.000   28.872   30.039   4.1149   41.060   2.9986 -11.02102 5.091553 
1 1 1   12   42    8 o   26.780   2.2312   86.899   13.981   69.500   20.102  103.200   19.458   23.369   3.7714   28.964   2.8833 -5.595629 4.747249 
1 1 1   12   42    9 o   48.875   4.4996  307.100   51.347   0.0000   0.0000  307.100   51.347  ?   ?    48.875   4.4996 0.000000 4.499630 
1 1 1   12   42   10 o   17.633   2.6905   38.600   10.848   0.0000   0.0000   38.600   10.848  ?   ?    17.633   2.6905 0.000000 2.690517 
1 1 1   12   42   11 f   29.863   3.1674  111.000   21.995   0.0000   0.0000  111.000   21.995  ?   ?    29.863   3.1674 0.000000 3.167406 
1 1 1   12   42   12 o   23.785   2.8805   70.200   15.848   0.0000   0.0000   70.200   15.848  ?   ?    23.785   2.8805 0.000000 2.880550 
1 1 1   12   42   13 f   10.642   2.5206   14.300   6.2368   0.0000   0.0000   14.300   6.2368  ?   ?    10.642   2.5206 0.000000 2.520593 
1 1 1   12   42   14 o   12.628   2.7265   20.200   7.8921   0.0000   0.0000   20.200   7.8921  ?   ?    12.628   2.7265 0.000000 2.726495 
1 1 1   12   42   15 o   16.851   2.6910   35.500   10.348   0.0000   0.0000   35.500   10.348  ?   ?    16.851   2.6910 0.000000 2.691046 
1 1 1   12   42   16 o   13.311   2.5811   22.300   7.8199   0.0000   0.0000   22.300   7.8199  ?   ?    13.311   2.5811 0.000000 2.581056 
1 1 1   12   42   17 o   19.287   2.7832   46.500   12.309   0.0000   0.0000   46.500   12.309  ?   ?    19.287   2.7832 0.000000 2.783222 
1 1 1   12   42   18 o   16.630   2.6487   34.600   10.052   0.0000   0.0000   34.600   10.052  ?   ?    16.630   2.6487 0.000000 2.648696 
1 1 1   12   42   19 o   14.056   2.7005   25.000   8.6378   0.0000   0.0000   25.000   8.6378  ?   ?    14.056   2.7005 0.000000 2.700480 
1 1 1   12   42   20 o   23.446   2.9202   69.000   15.817   0.0000   0.0000   69.000   15.817  ?   ?    23.446   2.9202 0.000000 2.920230 
1 1 1   12   42   21 o   24.426   2.9956   75.200   16.916   0.0000   0.0000   75.200   16.916  ?   ?    24.426   2.9956 0.000000 2.995576 
1 1 1   12   42   22 o   10.608   2.9917   14.500   7.8182   0.0000   0.0000   14.500   7.8182  ?   ?    10.608   2.9917 0.000000 2.991654 
1 1 1   12   42   23 o   20.292   3.0699   52.900   14.250   0.0000   0.0000   52.900   14.250  ?   ?    20.292   3.0699 0.000000 3.069894 
1 1 1   12   42   24 o   12.407   3.0478   20.300   8.8648   0.0000   0.0000   20.300   8.8648  ?   ?    12.407   3.0478 0.000000 3.047816 
1 1 1   12   42   25 o   8.5649   2.5240   9.4000   5.4509   0.0000   0.0000   9.4000   5.4509  ?   ?    8.5649   2.5240 0.000000 2.523966 
1 1 1   12   42   26 o   16.790   2.7773   36.800   10.626   0.0000   0.0000   36.800   10.626  ?   ?    16.790   2.7773 0.000000 2.777347 
1 1 1   12   42   27 o   5.1541   2.1279   1.3000   4.2013   0.0000   0.0000   1.3000   4.2013  ?   ?    5.1541   2.1279 0.000000 2.127854 
1 1 1   12   42   28 o   14.091   3.0439   27.200   9.8325   0.0000   0.0000   27.200   9.8325  ?   ?    14.091   3.0439 0.000000 3.043900 
1 1 1   12   42   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   42   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   43    0 o   7.6855   3.6882   10.500   7.7221   10.500   7.7221   10.500   7.7221   7.6855   3.6882   7.6855   3.6882 0.000000 0.000000 
1 1 1   12   43    1 o   18.545   2.0344   41.763   8.7626   44.100   12.798   39.700   12.023   18.780   2.9859   17.806   2.9635 0.9736271 4.206903 
1 1 1   12   43    2 o   15.293   2.0759   28.589   7.3026   15.500   10.831   39.500   9.8884   11.228   3.6040   17.932   2.3951 -6.704022 4.327263 
1 1 1   12   43    3 o   13.412   2.0745   22.100   6.3582   24.700   9.7847   20.200   8.3649   13.941   3.0566   12.626   2.8706 1.314826 4.193224 
1 1 1   12   43    4 o   46.198   2.7141  260.707   29.479  192.700   41.305  331.300   42.083   38.472   4.6405   51.560   3.4768 -13.08842 5.798447 
1 1 1   12   43    5 o   44.157   2.8369  239.117   29.424  256.600   41.591  221.600   41.632   44.979   3.9561   41.514   4.3097 3.464520 5.850132 
1 1 1   12   43    6 o   39.494   3.8446  197.600   35.400   0.0000   0.0000  197.600   35.400  ?   ?    39.494   3.8446 0.000000 3.844558 
1 1 1   12   43    7 o   41.344   4.0109  217.900   38.664   0.0000   0.0000  217.900   38.664  ?   ?    41.344   4.0109 0.000000 4.010861 
1 1 1   12   43    8 o   9.6817   2.5889   11.800   6.0333   0.0000   0.0000   11.800   6.0333  ?   ?    9.6817   2.5889 0.000000 2.588868 
1 1 1   12   43    9 o   8.4920   2.9202   8.2000   7.0824   0.0000   0.0000   8.2000   7.0824  ?   ?    8.4920   2.9202 0.000000 2.920201 
1 1 1   12   43   10 o   33.397   3.4392  140.300   26.735   0.0000   0.0000  140.300   26.735  ?   ?    33.397   3.4392 0.000000 3.439231 
1 1 1   12   43   11 o   24.245   3.0090   73.400   16.857   0.0000   0.0000   73.400   16.857  ?   ?    24.245   3.0090 0.000000 3.008996 
1 1 1   12   43   12 o   31.890   3.3349  127.800   24.742   0.0000   0.0000  127.800   24.742  ?   ?    31.890   3.3349 0.000000 3.334915 
1 1 1   12   43   13 o   24.558   3.0881   75.600   17.512   0.0000   0.0000   75.600   17.512  ?   ?    24.558   3.0881 0.000000 3.088104 
1 1 1   12   43   14 o   8.4800   2.6268   8.8000   5.8018   0.0000   0.0000   8.8000   5.8018  ?   ?    8.4800   2.6268 0.000000 2.626819 
1 1 1   12   43   15 o   47.263   4.5232  293.400   49.864   0.0000   0.0000  293.400   49.864  ?   ?    47.263   4.5232 0.000000 4.523201 
1 1 1   12   43   16 o   19.329   2.9128   47.000   12.882   0.0000   0.0000   47.000   12.882  ?   ?    19.329   2.9128 0.000000 2.912827 
1 1 1   12   43   17 o   17.176   2.7559   37.100   10.800   0.0000   0.0000   37.100   10.800  ?   ?    17.176   2.7559 0.000000 2.755948 
1 1 1   12   43   18 o   19.108   3.0122   46.300   13.141   0.0000   0.0000   46.300   13.141  ?   ?    19.108   3.0122 0.000000 3.012245 
1 1 1   12   43   19 o   31.855   3.4637  129.800   25.635   0.0000   0.0000  129.800   25.635  ?   ?    31.855   3.4637 0.000000 3.463740 
1 1 1   12   43   20 o   17.826   2.9094   40.500   11.824   0.0000   0.0000   40.500   11.824  ?   ?    17.826   2.9094 0.000000 2.909419 
1 1 1   12   43   21 o   16.786   2.7017   35.800   10.346   0.0000   0.0000   35.800   10.346  ?   ?    16.786   2.7017 0.000000 2.701684 
1 1 1   12   43   22 o   40.495   4.1368  222.800   39.002   0.0000   0.0000  222.800   39.002  ?   ?    40.495   4.1368 0.000000 4.136803 
1 1 1   12   43   23 o   16.245   2.8335   34.300   10.474   0.0000   0.0000   34.300   10.474  ?   ?    16.245   2.8335 0.000000 2.833456 
1 1 1   12   43   24 o   13.743   2.6989   24.700   8.4459   0.0000   0.0000   24.700   8.4459  ?   ?    13.743   2.6989 0.000000 2.698888 
1 1 1   12   43   25 f   12.285   2.7512   20.100   7.7824   0.0000   0.0000   20.100   7.7824  ?   ?    12.285   2.7512 0.000000 2.751192 
1 1 1   12   43   26 o   12.623   2.8380   21.500   8.2536   0.0000   0.0000   21.500   8.2536  ?   ?    12.623   2.8380 0.000000 2.837990 
1 1 1   12   43   27 o   12.336   3.0172   21.000   8.7164   0.0000   0.0000   21.000   8.7164  ?   ?    12.336   3.0172 0.000000 3.017156 
1 1 1   12   43   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   43   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   43   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   43   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   44    0 o   19.160   3.0445   47.300   12.733   47.300   12.733   47.300   12.733   19.160   3.0445   19.160   3.0445 0.000000 0.000000 
1 1 1   12   44    1 o   22.206   2.8568   61.300   14.632   0.0000   0.0000   61.300   14.632  ?   ?    22.206   2.8568 0.000000 2.856763 
1 1 1   12   44    2 o   25.132   3.0153   78.700   17.537   0.0000   0.0000   78.700   17.537  ?   ?    25.132   3.0153 0.000000 3.015265 
1 1 1   12   44    3 o   54.266   5.0970  392.300   64.549   0.0000   0.0000  392.300   64.549  ?   ?    54.266   5.0970 0.000000 5.096976 
1 1 1   12   44    4 o   22.677   2.9380   64.100   15.363   0.0000   0.0000   64.100   15.363  ?   ?    22.677   2.9380 0.000000 2.938004 
1 1 1   12   44    5 o   27.600   3.1131   95.100   19.934   0.0000   0.0000   95.100   19.934  ?   ?    27.600   3.1131 0.000000 3.113090 
1 1 1   12   44    6 o   17.037   3.0250   36.700   11.724   0.0000   0.0000   36.700   11.724  ?   ?    17.037   3.0250 0.000000 3.024957 
1 1 1   12   44    7 o   13.296   2.7882   22.400   8.4746   0.0000   0.0000   22.400   8.4746  ?   ?    13.296   2.7882 0.000000 2.788219 
1 1 1   12   44    8 o   11.048   2.7132   15.500   7.0267   0.0000   0.0000   15.500   7.0267  ?   ?    11.048   2.7132 0.000000 2.713178 
1 1 1   12   44    9 o   38.015   3.8020  184.200   33.672   0.0000   0.0000  184.200   33.672  ?   ?    38.015   3.8020 0.000000 3.801955 
1 1 1   12   44   10 o   23.894   2.9388   71.200   16.232   0.0000   0.0000   71.200   16.232  ?   ?    23.894   2.9388 0.000000 2.938770 
1 1 1   12   44   11 o   14.739   3.0239   27.700   10.171   0.0000   0.0000   27.700   10.171  ?   ?    14.739   3.0239 0.000000 3.023862 
1 1 1   12   44   12 o   20.461   2.7678   52.200   13.030   0.0000   0.0000   52.200   13.030  ?   ?    20.461   2.7678 0.000000 2.767847 
1 1 1   12   44   13 o   5.1958   2.2032   0.3000   4.6900   0.0000   0.0000   0.3000   4.6900  ?   ?    5.1958   2.2032 0.000000 2.203185 
1 1 1   12   44   14 o   21.694   2.8931   59.000   14.451   0.0000   0.0000   59.000   14.451  ?   ?    21.694   2.8931 0.000000 2.893061 
1 1 1   12   44   15 o   32.334   3.4708  133.100   26.086   0.0000   0.0000  133.100   26.086  ?   ?    32.334   3.4708 0.000000 3.470819 
1 1 1   12   44   16 o   21.962   2.9141   60.700   14.739   0.0000   0.0000   60.700   14.739  ?   ?    21.962   2.9141 0.000000 2.914118 
1 1 1   12   44   17 o   37.285   3.7677  180.500   32.717   0.0000   0.0000  180.500   32.717  ?   ?    37.285   3.7677 0.000000 3.767718 
1 1 1   12   44   18 o   24.129   2.9863   73.900   16.652   0.0000   0.0000   73.900   16.652  ?   ?    24.129   2.9863 0.000000 2.986283 
1 1 1   12   44   19 o   17.724   3.0403   40.600   12.267   0.0000   0.0000   40.600   12.267  ?   ?    17.724   3.0403 0.000000 3.040318 
1 1 1   12   44   20 o   5.3522   2.2953   0.1000   5.1936   0.0000   0.0000   0.1000   5.1936  ?   ?    5.3522   2.2953 0.000000 2.295266 
1 1 1   12   44   21 o   17.822   2.8409   41.200   11.554   0.0000   0.0000   41.200   11.554  ?   ?    17.822   2.8409 0.000000 2.840949 
1 1 1   12   44   22 o   11.680   3.1178   18.400   8.7596   0.0000   0.0000   18.400   8.7596  ?   ?    11.680   3.1178 0.000000 3.117777 
1 1 1   12   44   23 o   5.5041   2.4407  -1.3000   6.3107   0.0000   0.0000  -1.3000   6.3107  ?   ?    5.5041   2.4407 0.000000 2.440749 
1 1 1   12   44   24 o   11.806   3.1091   19.200   8.7876   0.0000   0.0000   19.200   8.7876  ?   ?    11.806   3.1091 0.000000 3.109086 
1 1 1   12   44   25 o   4.9630   2.2130  -1.4000   5.2607   0.0000   0.0000  -1.4000   5.2607  ?   ?    4.9630   2.2130 0.000000 2.212977 
1 1 1   12   44   26 o   2.8033   1.4115 -12.9000   4.2688   0.0000   0.0000 -12.9000   4.2688  ?   ?    2.8033   1.4115 0.000000 1.411468 
1 1 1   12   44   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   44   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   44   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45    5 o   34.319   3.5178  148.800   28.106   0.0000   0.0000  148.800   28.106  ?   ?    34.319   3.5178 0.000000 3.517811 
1 1 1   12   45    6 o   15.651   3.0661   31.200   10.926   0.0000   0.0000   31.200   10.926  ?   ?    15.651   3.0661 0.000000 3.066115 
1 1 1   12   45    7 o   47.116   4.5108  291.200   49.572   0.0000   0.0000  291.200   49.572  ?   ?    47.116   4.5108 0.000000 4.510788 
1 1 1   12   45    8 o   24.478   3.0724   75.200   17.367   0.0000   0.0000   75.200   17.367  ?   ?    24.478   3.0724 0.000000 3.072380 
1 1 1   12   45    9 o   13.118   2.8022   21.900   8.4168   0.0000   0.0000   21.900   8.4168  ?   ?    13.118   2.8022 0.000000 2.802209 
1 1 1   12   45   10 o   16.009   2.7655   32.300   10.076   0.0000   0.0000   32.300   10.076  ?   ?    16.009   2.7655 0.000000 2.765467 
1 1 1   12   45   11 o   8.2712   2.9446   7.5000   7.2418   0.0000   0.0000   7.5000   7.2418  ?   ?    8.2712   2.9446 0.000000 2.944619 
1 1 1   12   45   12 o   18.687   3.0700   44.400   13.077   0.0000   0.0000   44.400   13.077  ?   ?    18.687   3.0700 0.000000 3.069981 
1 1 1   12   45   13 o   32.098   3.4154  131.400   25.489   0.0000   0.0000  131.400   25.489  ?   ?    32.098   3.4154 0.000000 3.415361 
1 1 1   12   45   14 o   14.751   3.1252   28.200   10.548   0.0000   0.0000   28.200   10.548  ?   ?    14.751   3.1252 0.000000 3.125228 
1 1 1   12   45   15 o   5.3697   2.2076   1.3000   4.4982   0.0000   0.0000   1.3000   4.4982  ?   ?    5.3697   2.2076 0.000000 2.207585 
1 1 1   12   45   16 o   23.297   3.0378   69.400   16.314   0.0000   0.0000   69.400   16.314  ?   ?    23.297   3.0378 0.000000 3.037826 
1 1 1   12   45   17 o   28.985   3.3992  109.700   22.824   0.0000   0.0000  109.700   22.824  ?   ?    28.985   3.3992 0.000000 3.399210 
1 1 1   12   45   18 o   15.447   3.1006   31.500   10.916   0.0000   0.0000   31.500   10.916  ?   ?    15.447   3.1006 0.000000 3.100617 
1 1 1   12   45   19 o   9.2835   2.7096   11.200   6.3088   0.0000   0.0000   11.200   6.3088  ?   ?    9.2835   2.7096 0.000000 2.709552 
1 1 1   12   45   20 o   18.120   2.9203   43.200   12.071   0.0000   0.0000   43.200   12.071  ?   ?    18.120   2.9203 0.000000 2.920316 
1 1 1   12   45   21 f   24.575   3.2773   81.400   18.544   0.0000   0.0000   81.400   18.544  ?   ?    24.575   3.2773 0.000000 3.277308 
1 1 1   12   45   22 o   14.578   3.1057   29.000   10.364   0.0000   0.0000   29.000   10.364  ?   ?    14.578   3.1057 0.000000 3.105714 
1 1 1   12   45   23 o   8.9151   2.9755   10.400   7.3486   0.0000   0.0000   10.400   7.3486  ?   ?    8.9151   2.9755 0.000000 2.975511 
1 1 1   12   45   24 o   22.382   3.1290   68.300   16.085   0.0000   0.0000   68.300   16.085  ?   ?    22.382   3.1290 0.000000 3.129005 
1 1 1   12   45   25 o   19.070   3.0711   49.800   13.359   0.0000   0.0000   49.800   13.359  ?   ?    19.070   3.0711 0.000000 3.071071 
1 1 1   12   45   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   45   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   46   13 o   26.475   3.1577   90.100   19.352   0.0000   0.0000   90.100   19.352  ?   ?    26.475   3.1577 0.000000 3.157720 
1 1 1   12   46   14 o   6.8362   2.4136   5.2000   4.8559   0.0000   0.0000   5.2000   4.8559  ?   ?    6.8362   2.4136 0.000000 2.413631 
1 1 1   12   46   15 o  ?   ?  -16.8000   3.4573   0.0000   0.0000 -16.8000   3.4573  ?   ?   ?   ?  0.000000      ? 
1 1 1   12   46   16 o   12.624   2.8497   21.000   8.2936   0.0000   0.0000   21.000   8.2936  ?   ?    12.624   2.8497 0.000000 2.849747 
1 1 1   12   46   17 o   14.051   2.8160   26.000   9.0180   0.0000   0.0000   26.000   9.0180  ?   ?    14.051   2.8160 0.000000 2.815989 
1 1 1   12   46   18 o   6.0251   2.4990   1.8000   5.8337   0.0000   0.0000   1.8000   5.8337  ?   ?    6.0251   2.4990 0.000000 2.499019 
1 1 1   12   46   19 o   14.490   2.9993   28.300   9.9245   0.0000   0.0000   28.300   9.9245  ?   ?    14.490   2.9993 0.000000 2.999332 
1 1 1   12   46   20 o   9.0442   2.9610   10.700   7.2900   0.0000   0.0000   10.700   7.2900  ?   ?    9.0442   2.9610 0.000000 2.961031 
1 1 1   12   46   21 f   15.035   2.8228   30.300   9.6537   0.0000   0.0000   30.300   9.6537  ?   ?    15.035   2.8228 0.000000 2.822765 
1 1 1   12   46   22 o   15.852   2.8764   33.900   10.371   0.0000   0.0000   33.900   10.371  ?   ?    15.852   2.8764 0.000000 2.876413 
1 1 1   12   46   23 o   10.661   2.7899   15.500   7.1050   0.0000   0.0000   15.500   7.1050  ?   ?    10.661   2.7899 0.000000 2.789919 
1 1 1   12   46   24 o   4.8679   1.9595   1.6000   3.4568   0.0000   0.0000   1.6000   3.4568  ?   ?    4.8679   1.9595 0.000000 1.959477 
1 1 1   12   46   25 o   8.6354   3.0864   9.6000   7.9633   0.0000   0.0000   9.6000   7.9633  ?   ?    8.6354   3.0864 0.000000 3.086387 
1 1 1   12   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   47   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   48   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   49   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   50   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   12   51    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0    1 o   16.436   1.7302   32.948   6.5447   32.948   6.5447   32.948   6.5447   16.436   1.7302   16.436   1.7302 0.000000 0.000000 
1 1 1   13    0    2 o  129.422   7.0071  2000.84  212.709  2000.84  212.709  2000.84  212.709  129.422   7.0071  129.422   7.0071 0.000000 0.000000 
1 1 1   13    0    3 o   16.280   1.7321   32.348   6.4692   32.348   6.4692   32.348   6.4692   16.280   1.7321   16.280   1.7321 0.000000 0.000000 
1 1 1   13    0    4 o   50.618   2.6153  305.056   31.069  305.056   31.069  305.056   31.069   50.618   2.6153   50.618   2.6153 0.000000 0.000000 
1 1 1   13    0    5 o  166.615   8.9923  3323.10  351.438  3323.10  351.438  3323.10  351.438  166.615   8.9923  166.615   8.9923 0.000000 0.000000 
1 1 1   13    0    6 o  255.733   13.836  7885.42  829.938  7885.42  829.938  7885.42  829.938  255.733   13.836  255.733   13.836 0.000000 0.000000 
1 1 1   13    0    7 o  114.919   6.3296  1577.55  170.571  1577.55  170.571  1577.55  170.571  114.919   6.3296  114.919   6.3296 0.000000 0.000000 
1 1 1   13    0    8 o   32.963   2.2597  130.133   17.399  130.133   17.399  130.133   17.399   32.963   2.2597   32.963   2.2597 0.000000 0.000000 
1 1 1   13    0    9 o  233.097   18.250  6682.40  990.363  6682.40  990.363  6682.40  990.363  233.097   18.250  233.097   18.250 0.000000 0.000000 
1 1 1   13    0   10 o  177.012   9.4823  3756.07  393.752  3756.07  393.752  3756.07  393.752  177.012   9.4823  177.012   9.4823 0.000000 0.000000 
1 1 1   13    0   11 o   96.452   5.3140  1110.74  120.191  1110.74  120.191  1110.74  120.191   96.452   5.3140   96.452   5.3140 0.000000 0.000000 
1 1 1   13    0   12 o   69.222   3.8797  571.738   62.961  571.738   62.961  571.738   62.961   69.222   3.8797   69.222   3.8797 0.000000 0.000000 
1 1 1   13    0   13 o   74.376   4.2250  660.395   73.656  660.395   73.656  660.395   73.656   74.376   4.2250   74.376   4.2250 0.000000 0.000000 
1 1 1   13    0   14 o   60.258   3.5131  433.511   49.600  433.511   49.600  433.511   49.600   60.258   3.5131   60.258   3.5131 0.000000 0.000000 
1 1 1   13    0   15 o  246.042   13.500  7325.51  778.932  7325.51  778.932  7325.51  778.932  246.042   13.500  246.042   13.500 0.000000 0.000000 
1 1 1   13    0   16 f  106.356   5.8589  1351.77  146.123  1351.77  146.123  1351.77  146.123  106.356   5.8589  106.356   5.8589 0.000000 0.000000 
1 1 1   13    0   17 o  106.842   5.8840  1364.37  147.420  1364.37  147.420  1364.37  147.420  106.842   5.8840  106.842   5.8840 0.000000 0.000000 
1 1 1   13    0   18 o   38.554   2.4610  177.739   22.195  177.739   22.195  177.739   22.195   38.554   2.4610   38.554   2.4610 0.000000 0.000000 
1 1 1   13    0   19 o   46.283   2.8504  256.002   30.882  256.002   30.882  256.002   30.882   46.283   2.8504   46.283   2.8504 0.000000 0.000000 
1 1 1   13    0   20 o   88.467   4.9218  935.162  102.090  935.162  102.090  935.162  102.090   88.467   4.9218   88.467   4.9218 0.000000 0.000000 
1 1 1   13    0   21 o   38.286   2.4978  175.405   22.362  175.405   22.362  175.405   22.362   38.286   2.4978   38.286   2.4978 0.000000 0.000000 
1 1 1   13    0   22 o   5.5505   2.5498   5.3000   3.6598   5.3000   3.6598   5.3000   3.6598   5.5505   2.5498   5.5505   2.5498 0.000000 0.000000 
1 1 1   13    0   23 o  160.618   12.712  3183.80  475.204  3183.80  475.204  3183.80  475.204  160.618   12.712  160.618   12.712 0.000000 0.000000 
1 1 1   13    0   24 o   58.121   4.9179  409.200   66.383  409.200   66.383  409.200   66.383   58.121   4.9179   58.121   4.9179 0.000000 0.000000 
1 1 1   13    0   25 o   41.259   3.7937  206.700   36.243  206.700   36.243  206.700   36.243   41.259   3.7937   41.259   3.7937 0.000000 0.000000 
1 1 1   13    0   26 o   15.993   2.8599   33.000   9.7718   33.000   9.7718   33.000   9.7718   15.993   2.8599   15.993   2.8599 0.000000 0.000000 
1 1 1   13    0   27 o   4.4354   2.3893   3.3000   3.4693   3.3000   3.4693   3.3000   3.4693   4.4354   2.3893   4.4354   2.3893 0.000000 0.000000 
1 1 1   13    0   28 o  131.240   10.628  2158.60  324.408  2158.60  324.408  2158.60  324.408  131.240   10.628  131.240   10.628 0.000000 0.000000 
1 1 1   13    0   29 o   96.595   7.8304  1152.40  175.909  1152.40  175.909  1152.40  175.909   96.595   7.8304   96.595   7.8304 0.000000 0.000000 
1 1 1   13    0   30 f   13.099   2.8080   22.900   7.6268   22.900   7.6268   22.900   7.6268   13.099   2.8080   13.099   2.8080 0.000000 0.000000 
1 1 1   13    0   31 o   10.791   2.9875   16.600   6.5841   16.600   6.5841   16.600   6.5841   10.791   2.9875   10.791   2.9875 0.000000 0.000000 
1 1 1   13    0   32 f   33.150   3.3389  134.500   25.528  134.500   25.528  134.500   25.528   33.150   3.3389   33.150   3.3389 0.000000 0.000000 
1 1 1   13    0   33 o   49.829   4.3847  303.600   50.674  303.600   50.674  303.600   50.674   49.829   4.3847   49.829   4.3847 0.000000 0.000000 
1 1 1   13    0   34 o   7.5191   3.1756   9.5000   5.6958   9.5000   5.6958   9.5000   5.6958   7.5191   3.1756   7.5191   3.1756 0.000000 0.000000 
1 1 1   13    0   35 o   51.972   4.5607  331.900   54.980  331.900   54.980  331.900   54.980   51.972   4.5607   51.972   4.5607 0.000000 0.000000 
1 1 1   13    0   36 o   32.935   3.3288  133.400   25.282  133.400   25.282  133.400   25.282   32.935   3.3288   32.935   3.3288 0.000000 0.000000 
1 1 1   13    0   37 o   70.501   6.0283  626.000   98.670  626.000   98.670  626.000   98.670   70.501   6.0283   70.501   6.0283 0.000000 0.000000 
1 1 1   13    0   38 f   45.675   4.1712  258.600   44.125  258.600   44.125  258.600   44.125   45.675   4.1712   45.675   4.1712 0.000000 0.000000 
1 1 1   13    0   39 o   26.514   3.0275   87.400   18.316   87.400   18.316   87.400   18.316   26.514   3.0275   26.514   3.0275 0.000000 0.000000 
1 1 1   13    0   40 o   30.423   3.2425  115.000   22.628  115.000   22.628  115.000   22.628   30.423   3.2425   30.423   3.2425 0.000000 0.000000 
1 1 1   13    0   41 o   6.1748   2.7844   6.6000   4.3556   6.6000   4.3556   6.6000   4.3556   6.1748   2.7844   6.1748   2.7844 0.000000 0.000000 
1 1 1   13    0   42 o   41.842   4.0297  219.200   38.967  219.200   38.967  219.200   38.967   41.842   4.0297   41.842   4.0297 0.000000 0.000000 
1 1 1   13    0   43 o   22.328   3.0089   63.100   15.054   63.100   15.054   63.100   15.054   22.328   3.0089   22.328   3.0089 0.000000 0.000000 
1 1 1   13    0   44 o   13.309   3.0849   24.400   8.4343   24.400   8.4343   24.400   8.4343   13.309   3.0849   13.309   3.0849 0.000000 0.000000 
1 1 1   13    0   45 o   10.383   3.6794   17.200   8.2092   17.200   8.2092   17.200   8.2092   10.383   3.6794   10.383   3.6794 0.000000 0.000000 
1 1 1   13    0   46 o   16.106   2.9845   34.400   10.204   34.400   10.204   34.400   10.204   16.106   2.9845   16.106   2.9845 0.000000 0.000000 
1 1 1   13    0   47 o   17.646   3.1831   41.400   11.981   41.400   11.981   41.400   11.981   17.646   3.1831   17.646   3.1831 0.000000 0.000000 
1 1 1   13    0   48 o   12.744   3.0740   22.800   8.0205   22.800   8.0205   22.800   8.0205   12.744   3.0740   12.744   3.0740 0.000000 0.000000 
1 1 1   13    0   49 o   10.880   3.7668   19.000   8.7272   19.000   8.7272   19.000   8.7272   10.880   3.7668   10.880   3.7668 0.000000 0.000000 
1 1 1   13    0   50 o   28.544   3.3692  106.000   21.878  106.000   21.878  106.000   21.878   28.544   3.3692   28.544   3.3692 0.000000 0.000000 
1 1 1   13    0   51 o   2.4423   1.6858  -2.4000   3.2630  -2.4000   3.2630  -2.4000   3.2630   2.4423   1.6858   2.4423   1.6858 0.000000 0.000000 
1 1 1   13    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    0   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1    0 o  104.205   8.2011  1310.80  198.924  1310.80  198.924  1310.80  198.924  104.205   8.2011  104.205   8.2011 0.000000 0.000000 
1 1 1   13    1    1 o  236.961   12.552  6774.21  699.842  7384.60  989.925  6164.30  989.528  245.180   17.207  222.968   18.975 22.21216 25.61498 
1 1 1   13    1    2 o   24.451   1.9185   71.052   10.988   77.400   15.537   64.700   15.542   25.458   2.6220   23.217   2.8979 2.241018 3.908067 
1 1 1   13    1    3 o   75.268   4.1745  672.384   73.904  654.600  104.469  690.200  104.563   74.051   6.0267   76.072   5.8663 -2.021004 8.410364 
1 1 1   13    1    4 o  184.951   9.9188  4100.32  431.607  3704.10  610.402  4496.50  610.367  174.072   14.996  192.496   13.514 -18.42482 20.18676 
1 1 1   13    1    5 o  157.987   8.3829  2981.89  311.616  3085.70  441.040  2878.40  440.345  159.826   11.769  154.208   12.192 5.618500 16.94565 
1 1 1   13    1    6 o  201.575   10.814  4884.87  512.877  5118.60  725.293  4651.10  725.342  204.637   15.117  194.659   15.919 9.978195 21.95299 
1 1 1   13    1    7 o  296.303   16.078 10757.18  1120.72 11436.00  1585.02 10078.50  1584.86  300.400   22.508  280.476   24.165 19.92346 33.02398 
1 1 1   13    1    8 o   23.900   1.9081   67.906   10.679   73.900   15.095   61.900   15.109   24.870   2.6092   22.702   2.8835 2.167887 3.888786 
1 1 1   13    1    9 o  172.341   9.4080  3561.89  381.421  3678.30  538.515  3444.70  540.310  173.855   13.216  168.012   13.739 5.842636 19.06398 
1 1 1   13    1   10 o   51.546   3.0533  315.251   36.999  316.500   52.301  314.000   52.349   51.520   4.3394   51.312   4.3618 0.2077980 6.152714 
1 1 1   13    1   11 o  145.785   7.8849  2540.97  270.428  2805.10  382.392  2276.70  382.494  152.422   10.692  136.851   11.956 15.57162 16.03966 
1 1 1   13    1   12 o   42.956   2.6646  218.952   26.895  220.600   38.011  217.300   38.059   43.010   3.7810   42.681   3.8165 0.3294144 5.372329 
1 1 1   13    1   13 o   59.481   3.4660  419.982   48.471  475.600   68.529  364.300   68.569   63.188   4.6250   55.163   5.3304 8.024464 7.057153 
1 1 1   13    1   14 o   57.965   3.3667  398.810   45.884  410.300   64.863  387.300   64.917   58.650   4.7235   56.952   4.8741 1.698273 6.787345 
1 1 1   13    1   15 o   78.079   4.3894  724.495   80.599  787.500  113.944  661.400  114.025   81.196   5.9851   74.279   6.5686 6.917061 8.886415 
1 1 1   13    1   16 o  137.202   7.4023  2251.01  238.934  2265.30  337.746  2236.70  338.061  136.760   10.540  135.864   10.622 0.8969421 14.96358 
1 1 1   13    1   17 o   79.329   4.4502  748.144   83.026  793.000  117.360  703.200  117.474   81.435   6.1484   76.587   6.5590 4.847336 8.990142 
1 1 1   13    1   18 o  119.467   6.5160  1704.52  183.125  1789.10  258.878  1619.80  259.079  121.768   9.0682  115.687   9.5698 6.080711 13.18382 
1 1 1   13    1   19 f   42.455   2.6395  213.950   26.331  213.800   37.233  214.100   37.241   42.324   3.7648   42.354   3.7628 -0.3011322E-01 5.322837 
1 1 1   13    1   20 o  186.697   10.215  4227.02  448.624  4532.10  634.269  3921.60  634.630  191.057   14.160  176.904   15.344 14.15286 20.87910 
1 1 1   13    1   21 o  148.745   8.2275  2665.60  287.862  2793.70  406.548  2536.80  407.651  150.876   11.498  143.417   12.151 7.459213 16.72884 
1 1 1   13    1   22 o  103.156   5.7044  1272.10  138.413  1318.80  195.543  1225.20  195.948  104.427   7.9905  100.528   8.3296 3.899200 11.54251 
1 1 1   13    1   23 o  106.626   8.3909  1382.30  209.560  1382.30  209.560   0.0000   0.0000  106.626   8.3909  ?   ?  0.000000 8.390862 
1 1 1   13    1   24 o  147.214   11.763  2714.70  405.512  2714.70  405.512   0.0000   0.0000  147.214   11.763  ?   ?  0.000000 11.76343 
1 1 1   13    1   25 o   27.827   2.9276   92.800   18.948   92.800   18.948   0.0000   0.0000   27.827   2.9276  ?   ?  0.000000 2.927554 
1 1 1   13    1   26 o  114.740   9.1977  1637.50  247.110  1637.50  247.110   0.0000   0.0000  114.740   9.1977  ?   ?  0.000000 9.197692 
1 1 1   13    1   27 o   90.788   7.2991  1013.30  155.158  1013.30  155.158   0.0000   0.0000   90.788   7.2991  ?   ?  0.000000 7.299127 
1 1 1   13    1   28 o  103.020   8.3516  1327.20  201.417  1327.20  201.417   0.0000   0.0000  103.020   8.3516  ?   ?  0.000000 8.351560 
1 1 1   13    1   29 o   26.707   2.8829   85.800   17.892   85.800   17.892   0.0000   0.0000   26.707   2.8829  ?   ?  0.000000 2.882895 
1 1 1   13    1   30 o   21.986   2.6592   58.300   13.525   58.300   13.525   0.0000   0.0000   21.986   2.6592  ?   ?  0.000000 2.659214 
1 1 1   13    1   31 o   71.309   5.8996  627.400   98.449  627.400   98.449   0.0000   0.0000   71.309   5.8996  ?   ?  0.000000 5.899646 
1 1 1   13    1   32 o   20.798   2.6276   52.300   12.616   52.300   12.616   0.0000   0.0000   20.798   2.6276  ?   ?  0.000000 2.627599 
1 1 1   13    1   33 o   21.882   2.6666   57.900   13.494   57.900   13.494   0.0000   0.0000   21.882   2.6666  ?   ?  0.000000 2.666637 
1 1 1   13    1   34 o   44.006   3.9472  235.900   40.581  235.900   40.581   0.0000   0.0000   44.006   3.9472  ?   ?  0.000000 3.947230 
1 1 1   13    1   35 o   40.001   3.6888  195.000   34.451  195.000   34.451   0.0000   0.0000   40.001   3.6888  ?   ?  0.000000 3.688799 
1 1 1   13    1   36 o   31.318   3.1600  119.400   23.050  119.400   23.050   0.0000   0.0000   31.318   3.1600  ?   ?  0.000000 3.160009 
1 1 1   13    1   37 o   16.612   2.4956   33.800   9.4869   33.800   9.4869   0.0000   0.0000   16.612   2.4956  ?   ?  0.000000 2.495591 
1 1 1   13    1   38 o   17.788   2.5404   38.800   10.368   38.800   10.368   0.0000   0.0000   17.788   2.5404  ?   ?  0.000000 2.540378 
1 1 1   13    1   39 o   37.934   3.6337  178.900   32.151  178.900   32.151   0.0000   0.0000   37.934   3.6337  ?   ?  0.000000 3.633695 
1 1 1   13    1   40 o   22.229   2.7340   60.800   14.049   60.800   14.049   0.0000   0.0000   22.229   2.7340  ?   ?  0.000000 2.734034 
1 1 1   13    1   41 o   19.626   2.6463   47.500   11.951   47.500   11.951   0.0000   0.0000   19.626   2.6463  ?   ?  0.000000 2.646268 
1 1 1   13    1   42 o   11.224   2.4244   15.800   6.2377   15.800   6.2377   0.0000   0.0000   11.224   2.4244  ?   ?  0.000000 2.424412 
1 1 1   13    1   43 o   37.746   3.6635  180.000   32.242  180.000   32.242   0.0000   0.0000   37.746   3.6635  ?   ?  0.000000 3.663529 
1 1 1   13    1   44 o   14.647   2.5505   26.900   8.5009   26.900   8.5009   0.0000   0.0000   14.647   2.5505  ?   ?  0.000000 2.550539 
1 1 1   13    1   45 o   26.997   3.0516   92.000   19.112   92.000   19.112   0.0000   0.0000   26.997   3.0516  ?   ?  0.000000 3.051576 
1 1 1   13    1   46 o   38.699   3.8864  197.500   35.035  197.500   35.035   0.0000   0.0000   38.699   3.8864  ?   ?  0.000000 3.886390 
1 1 1   13    1   47 o   15.218   2.5881   29.500   8.9674   29.500   8.9674   0.0000   0.0000   15.218   2.5881  ?   ?  0.000000 2.588089 
1 1 1   13    1   48 o   23.849   2.9722   73.100   16.375   73.100   16.375   0.0000   0.0000   23.849   2.9722  ?   ?  0.000000 2.972250 
1 1 1   13    1   49 o   23.790   2.9405   73.200   16.167   73.200   16.167   0.0000   0.0000   23.790   2.9405  ?   ?  0.000000 2.940505 
1 1 1   13    1   50 o   8.5649   2.5773   9.5000   5.6383   9.5000   5.6383   0.0000   0.0000   8.5649   2.5773  ?   ?  0.000000 2.577305 
1 1 1   13    1   51 o   8.7834   2.6294   10.300   5.8798   10.300   5.8798   0.0000   0.0000   8.7834   2.6294  ?   ?  0.000000 2.629423 
1 1 1   13    1   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    1   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2    0 o   18.846   2.6675   44.400   11.185   44.400   11.185   44.400   11.185   18.846   2.6675   18.846   2.6675 0.000000 0.000000 
1 1 1   13    2    1 o   97.932   5.3343  1139.65  122.891  1148.20  173.815  1131.10  173.774   97.984   7.5710   97.238   7.6293 0.7461395 10.74832 
1 1 1   13    2    2 o  279.690   15.062  9520.69  991.101  9346.20  1401.20  9695.40  1402.05  272.604   21.953  277.999   21.526 -5.394135 30.74592 
1 1 1   13    2    3 o  245.472   12.591  7273.68  727.397  6353.90  1028.04  8195.80  1029.35  225.960   19.457  258.347   16.968 -32.38657 25.81603 
1 1 1   13    2    4 o  167.032   8.9396  3336.89  351.320  3363.50  496.941  3310.30  496.741  166.612   12.727  165.248   12.831 1.364090 18.07232 
1 1 1   13    2    5 o   82.345   4.3582  804.803   84.442  919.700  119.522  690.300  119.317   87.878   5.7922   75.948   6.7226 11.93040 8.873721 
1 1 1   13    2    6 o   80.722   4.3639  773.513   82.872  904.200  117.238  643.000  117.160   87.136   5.7298   73.254   6.8527 13.88134 8.932502 
1 1 1   13    2    7 o  134.005   7.1960  2141.19  226.873  2114.20  320.801  2168.20  320.893  132.468   10.337  134.192   10.203 -1.723999 14.52474 
1 1 1   13    2    8 o   36.409   2.3445  157.285   20.049  174.800   28.367  139.800   28.342   38.320   3.1631   34.195   3.5622 4.124821 4.763882 
1 1 1   13    2    9 o  137.900   7.8282  2272.41  253.860  2644.60  358.646  1898.70  359.379  148.173   10.315  124.860   12.351 23.31283 16.09149 
1 1 1   13    2   10 o  110.935   6.0463  1465.39  157.790  1511.80  223.045  1418.90  223.252  112.233   8.4787  108.645   8.7770 3.587296 12.20343 
1 1 1   13    2   11 o   51.664   3.0299  316.678   36.803  354.500   52.062  278.900   52.032   54.574   4.0692   48.303   4.6180 6.270714 6.155037 
1 1 1   13    2   12 o  291.269   16.098 10468.71  1102.90 10931.90  1559.13 10004.80  1560.33  291.434   22.839  277.513   24.048 13.92096 33.16510 
1 1 1   13    2   13 o  239.431   13.145  6983.75  740.361  7385.90  1046.57  6580.90  1047.48  242.736   18.396  228.144   19.635 14.59207 26.90588 
1 1 1   13    2   14 o  156.504   8.4944  2936.17  312.747  3252.60  442.208  2619.50  442.374  163.742   11.510  146.333   12.935 17.40814 17.31488 
1 1 1   13    2   15 o   63.820   3.6676  483.625   55.039  519.500   77.809  447.700   77.864   65.995   5.0309   61.179   5.4467 4.816158 7.414616 
1 1 1   13    2   16 o   70.419   3.9062  588.895   64.699  681.800   91.526  496.100   91.472   75.635   5.1553   64.322   6.0951 11.31323 7.982930 
1 1 1   13    2   17 o   74.082   4.1745  652.181   72.729  686.400  102.808  617.900  102.901   75.787   5.7885   71.829   6.1252 3.958015 8.427638 
1 1 1   13    2   18 o  173.852   9.4512  3643.67  386.539  3894.50  546.514  3392.60  546.783  178.104   13.086  165.652   14.113 12.45131 19.24646 
1 1 1   13    2   19 o  263.199   14.608  8577.18  904.313  8873.50  1278.29  8280.30  1279.50  261.549   20.871  251.665   21.744 9.884445 30.13978 
1 1 1   13    2   20 o   96.278   5.2690  1104.80  119.335  1231.90  168.763  977.700  168.766  101.307   7.0995   89.978   8.0274 11.32890 10.71642 
1 1 1   13    2   21 o  103.628   5.8175  1283.01  141.780  1385.70  200.259  1179.80  200.756  107.171   7.9703   98.632   8.7091 8.538635 11.80566 
1 1 1   13    2   22 o   56.638   3.2305  381.141   43.027  412.900   60.906  349.500   60.793   58.804   4.4186   54.012   4.8170 4.791576 6.536627 
1 1 1   13    2   23 o  142.412   7.7334  2450.62  259.089  2441.20  365.856  2460.10  366.961  140.446   11.123  140.997   11.112 -0.5511322 15.72199 
1 1 1   13    2   24 o  113.092   8.9409  1567.60  236.820  1567.60  236.820   0.0000   0.0000  113.092   8.9409  ?   ?  0.000000 8.940889 
1 1 1   13    2   25 o  151.411   12.282  2917.00  435.340  2917.00  435.340   0.0000   0.0000  151.411   12.282  ?   ?  0.000000 12.28191 
1 1 1   13    2   26 o   84.504   6.7793  870.300  134.138  870.300  134.138   0.0000   0.0000   84.504   6.7793  ?   ?  0.000000 6.779279 
1 1 1   13    2   27 o   81.889   6.6071  819.700  126.674  819.700  126.674   0.0000   0.0000   81.889   6.6071  ?   ?  0.000000 6.607104 
1 1 1   13    2   28 o  101.979   8.2634  1299.60  197.279  1299.60  197.279   0.0000   0.0000  101.979   8.2634  ?   ?  0.000000 8.263443 
1 1 1   13    2   29 o   43.002   3.8360  222.900   38.543  222.900   38.543   0.0000   0.0000   43.002   3.8360  ?   ?  0.000000 3.836040 
1 1 1   13    2   30 o   20.674   2.6070   51.600   12.444   51.600   12.444   0.0000   0.0000   20.674   2.6070  ?   ?  0.000000 2.606966 
1 1 1   13    2   31 o   11.863   2.3505   17.300   6.3517   17.300   6.3517   0.0000   0.0000   11.863   2.3505  ?   ?  0.000000 2.350501 
1 1 1   13    2   32 o   41.892   3.7869  212.500   37.055  212.500   37.055   0.0000   0.0000   41.892   3.7869  ?   ?  0.000000 3.786871 
1 1 1   13    2   33 o   50.929   4.4080  316.500   52.489  316.500   52.489   0.0000   0.0000   50.929   4.4080  ?   ?  0.000000 4.408008 
1 1 1   13    2   34 o   79.455   6.6764  801.500  124.102  801.500  124.102   0.0000   0.0000   79.455   6.6764  ?   ?  0.000000 6.676394 
1 1 1   13    2   35 o   46.412   4.1343  264.000   44.835  264.000   44.835   0.0000   0.0000   46.412   4.1343  ?   ?  0.000000 4.134259 
1 1 1   13    2   36 o   54.727   4.7703  373.400   61.031  373.400   61.031   0.0000   0.0000   54.727   4.7703  ?   ?  0.000000 4.770341 
1 1 1   13    2   37 o   28.531   3.0239   99.400   20.062   99.400   20.062   0.0000   0.0000   28.531   3.0239  ?   ?  0.000000 3.023926 
1 1 1   13    2   38 o   20.629   2.6595   52.100   12.653   52.100   12.653   0.0000   0.0000   20.629   2.6595  ?   ?  0.000000 2.659492 
1 1 1   13    2   39 o   41.372   3.8737  214.000   37.403  214.000   37.403   0.0000   0.0000   41.372   3.8737  ?   ?  0.000000 3.873662 
1 1 1   13    2   40 o   31.977   3.2646  126.700   24.305  126.700   24.305   0.0000   0.0000   31.977   3.2646  ?   ?  0.000000 3.264569 
1 1 1   13    2   41 o   64.213   5.8796  556.300   88.162  556.300   88.162   0.0000   0.0000   64.213   5.8796  ?   ?  0.000000 5.879605 
1 1 1   13    2   42 o   54.072   4.9485  383.200   62.483  383.200   62.483   0.0000   0.0000   54.072   4.9485  ?   ?  0.000000 4.948496 
1 1 1   13    2   43 o   14.665   2.5077   26.800   8.3718   26.800   8.3718   0.0000   0.0000   14.665   2.5077  ?   ?  0.000000 2.507725 
1 1 1   13    2   44 f   8.9115   2.3983  10.0000   5.1580  10.0000   5.1580   0.0000   0.0000   8.9115   2.3983  ?   ?  0.000000 2.398299 
1 1 1   13    2   45 o   35.452   3.5756  161.500   29.525  161.500   29.525   0.0000   0.0000   35.452   3.5756  ?   ?  0.000000 3.575643 
1 1 1   13    2   46 o   19.996   2.7630   50.600   12.697   50.600   12.697   0.0000   0.0000   19.996   2.7630  ?   ?  0.000000 2.762959 
1 1 1   13    2   47 o   25.247   2.9874   81.600   17.465   81.600   17.465   0.0000   0.0000   25.247   2.9874  ?   ?  0.000000 2.987446 
1 1 1   13    2   48 o   15.386   2.6335   30.300   9.2239   30.300   9.2239   0.0000   0.0000   15.386   2.6335  ?   ?  0.000000 2.633457 
1 1 1   13    2   49 o   18.454   2.7226   43.800   11.507   43.800   11.507   0.0000   0.0000   18.454   2.7226  ?   ?  0.000000 2.722557 
1 1 1   13    2   50 o   16.449   2.6519   35.200   9.9501   35.200   9.9501   0.0000   0.0000   16.449   2.6519  ?   ?  0.000000 2.651936 
1 1 1   13    2   51 o   7.9562   2.3111   8.3000   4.5996   8.3000   4.5996   0.0000   0.0000   7.9562   2.3111  ?   ?  0.000000 2.311105 
1 1 1   13    2   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    2   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3    0 o   83.109   6.6606  833.300  128.784  833.300  128.784  833.300  128.784   83.109   6.6606   83.109   6.6606 0.000000 0.000000 
1 1 1   13    3    1 o   98.266   5.3385  1147.48  123.411  1181.30  174.587  1113.70  174.472   99.403   7.4930   96.461   7.7245 2.941185 10.76163 
1 1 1   13    3    2 o   62.822   3.4900  468.114   51.569  406.100   72.879  530.300   72.979   58.300   5.3537   66.766   4.6581 -8.466625 7.096472 
1 1 1   13    3    3 o  275.501   14.038  9207.94  910.229 10373.50  1288.79  8047.90  1285.73  289.329   18.969  252.821   21.748 36.50838 28.85820 
1 1 1   13    3    4 o   73.183   3.9517  635.466   68.037  692.300   96.375  579.000   96.063   76.243   5.3878   69.626   5.8983 6.616936 7.988638 
1 1 1   13    3    5 o  137.999   7.2222  2269.96  234.528  2446.60  331.997  2094.00  331.348  142.701   9.9140  131.761   10.743 10.94012 14.61864 
1 1 1   13    3    6 o  152.555   7.9915  2778.77  286.885  3064.90  405.912  2493.20  405.520  159.512   10.841  143.436   12.085 16.07530 16.23506 
1 1 1   13    3    7 o   71.444   3.9824  605.832   66.917  654.400   94.652  557.300   94.618   74.099   5.4477   68.285   5.9267 5.814407 8.050065 
1 1 1   13    3    8 f   54.365   3.1743  350.645   40.573  363.500   57.391  337.800   57.367   55.232   4.4378   53.211   4.6112 2.021759 6.399841 
1 1 1   13    3    9 o  208.563   11.215  5245.61  550.313  5443.20  778.234  5048.00  778.286  210.344   15.783  202.177   16.445 8.166565 22.79336 
1 1 1   13    3   10 o  114.731   6.2000  1567.84  167.348  1790.90  236.669  1344.80  236.663  122.252   8.2464  105.561   9.5992 16.69098 12.65497 
1 1 1   13    3   11 o  220.000   11.886  5858.20  615.186  6578.30  869.973  5138.00  870.037  230.883   16.057  202.552   18.391 28.33076 24.41397 
1 1 1   13    3   12 o   69.128   3.8912  567.398   63.261  630.600   89.466  504.200   89.462   72.732   5.2444   64.900   5.9021 7.831726 7.895476 
1 1 1   13    3   13 o  164.998   8.9341  3266.76  346.794  3417.50  490.269  3115.80  490.612  167.515   12.484  159.650   13.130 7.864990 18.11762 
1 1 1   13    3   14 o   68.506   3.8760  557.309   62.444  565.500   88.259  549.100   88.361   68.814   5.4768   67.789   5.5692 1.024590 7.811006 
1 1 1   13    3   15 o  137.613   7.4834  2264.65  242.260  2460.80  342.523  2068.30  342.693  142.698   10.233  130.448   11.235 12.25049 15.19651 
1 1 1   13    3   16 o   37.612   2.4288  167.899   21.456  161.600   30.341  174.200   30.345   36.785   3.5365   38.221   3.3977 -1.435478 4.904217 
1 1 1   13    3   17 o   65.409   3.7168  508.101   57.171  528.100   80.850  488.100   80.854   66.508   5.1891   63.892   5.4099 2.616264 7.496296 
1 1 1   13    3   18 o  154.072   8.3202  2850.62  301.584  3251.30  426.491  2449.90  426.518  163.527   11.111  141.100   12.945 22.42705 17.05970 
1 1 1   13    3   19 o  131.823   7.2174  2080.82  223.812  2297.30  316.430  1864.10  316.607  137.742   9.7924  123.607   10.961 14.13433 14.69795 
1 1 1   13    3   20 o  150.414   8.0134  2719.50  283.596  3118.20  401.142  2321.10  400.989  160.020   10.677  137.161   12.518 22.85902 16.45345 
1 1 1   13    3   21 o   69.041   3.9853  567.003   64.697  602.800   91.363  531.000   91.627   70.963   5.4951   66.504   5.8957 4.458679 8.059524 
1 1 1   13    3   22 o  166.996   9.0995  3383.89  357.476  3631.20  505.504  3136.50  505.591  170.928   12.613  158.108   13.677 12.82018 18.60506 
1 1 1   13    3   23 o   13.568   1.6942   22.096   5.3099   20.000   7.5952   24.100   7.4262   12.769   2.6072   14.091   2.3121 -1.321907 3.484715 
1 1 1   13    3   24 o   96.871   5.3217  1124.09  121.266  1120.10  171.247  1128.10  171.747   95.983   7.6182   96.329   7.6125 -0.3460236 10.76971 
1 1 1   13    3   25 o   84.466   6.7553  866.200  133.610  866.200  133.610   0.0000   0.0000   84.466   6.7553  ?   ?  0.000000 6.755322 
1 1 1   13    3   26 o  107.633   8.6186  1434.60  217.213  1434.60  217.213   0.0000   0.0000  107.633   8.6186  ?   ?  0.000000 8.618599 
1 1 1   13    3   27 o  197.100   18.134  5631.60  834.521  5631.60  834.521   0.0000   0.0000  197.100   18.134  ?   ?  0.000000 18.13371 
1 1 1   13    3   28 o   26.039   2.8407   81.500   17.184   81.500   17.184   0.0000   0.0000   26.039   2.8407  ?   ?  0.000000 2.840689 
1 1 1   13    3   29 o   61.833   5.1491  465.300   74.498  465.300   74.498   0.0000   0.0000   61.833   5.1491  ?   ?  0.000000 5.149077 
1 1 1   13    3   30 o   31.160   3.1173  116.900   22.629  116.900   22.629   0.0000   0.0000   31.160   3.1173  ?   ?  0.000000 3.117284 
1 1 1   13    3   31 o   14.686   2.4265   26.300   8.1209   26.300   8.1209   0.0000   0.0000   14.686   2.4265  ?   ?  0.000000 2.426536 
1 1 1   13    3   32 o   42.073   3.8015  214.400   37.359  214.400   37.359   0.0000   0.0000   42.073   3.8015  ?   ?  0.000000 3.801490 
1 1 1   13    3   33 o  105.574   9.0139  1469.80  222.562  1469.80  222.562   0.0000   0.0000  105.574   9.0139  ?   ?  0.000000 9.013924 
1 1 1   13    3   34 o   13.817   2.4276   23.400   7.6312   23.400   7.6312   0.0000   0.0000   13.817   2.4276  ?   ?  0.000000 2.427586 
1 1 1   13    3   35 o   44.532   3.9964  242.700   41.577  242.700   41.577   0.0000   0.0000   44.532   3.9964  ?   ?  0.000000 3.996401 
1 1 1   13    3   36 o   34.893   3.4450  148.800   28.015  148.800   28.015   0.0000   0.0000   34.893   3.4450  ?   ?  0.000000 3.445012 
1 1 1   13    3   37 o   55.849   4.9301  394.200   64.351  394.200   64.351   0.0000   0.0000   55.849   4.9301  ?   ?  0.000000 4.930078 
1 1 1   13    3   38 o   44.369   4.0606  245.700   42.072  245.700   42.072   0.0000   0.0000   44.369   4.0606  ?   ?  0.000000 4.060583 
1 1 1   13    3   39 o   12.050   2.4459   18.100   6.7218   18.100   6.7218   0.0000   0.0000   12.050   2.4459  ?   ?  0.000000 2.445887 
1 1 1   13    3   40 o   25.978   2.9371   83.200   17.701   83.200   17.701   0.0000   0.0000   25.978   2.9371  ?   ?  0.000000 2.937075 
1 1 1   13    3   41 o   22.476   2.7691   62.300   14.386   62.300   14.386   0.0000   0.0000   22.476   2.7691  ?   ?  0.000000 2.769106 
1 1 1   13    3   42 o   19.401   2.6275   46.500   11.728   46.500   11.728   0.0000   0.0000   19.401   2.6275  ?   ?  0.000000 2.627534 
1 1 1   13    3   43 o   4.5765   1.8094   1.4000   2.8953   1.4000   2.8953   0.0000   0.0000   4.5765   1.8094  ?   ?  0.000000 1.809435 
1 1 1   13    3   44 o   18.090   2.6090   40.800   10.823   40.800   10.823   0.0000   0.0000   18.090   2.6090  ?   ?  0.000000 2.608990 
1 1 1   13    3   45 o   11.444   2.4364   16.600   6.3819   16.600   6.3819   0.0000   0.0000   11.444   2.4364  ?   ?  0.000000 2.436419 
1 1 1   13    3   46 o   14.224   2.4861   25.600   8.0465   25.600   8.0465   0.0000   0.0000   14.224   2.4861  ?   ?  0.000000 2.486075 
1 1 1   13    3   47 o   28.234   3.1673  102.800   20.753  102.800   20.753   0.0000   0.0000   28.234   3.1673  ?   ?  0.000000 3.167260 
1 1 1   13    3   48 o   20.578   2.7493   54.000   13.025   54.000   13.025   0.0000   0.0000   20.578   2.7493  ?   ?  0.000000 2.749331 
1 1 1   13    3   49 o   36.249   3.8278  178.400   32.269  178.400   32.269   0.0000   0.0000   36.249   3.8278  ?   ?  0.000000 3.827758 
1 1 1   13    3   50 o   34.706   3.7977  167.300   30.616  167.300   30.616   0.0000   0.0000   34.706   3.7977  ?   ?  0.000000 3.797746 
1 1 1   13    3   51 o   5.6633   2.3604   1.6000   5.2404   1.6000   5.2404   0.0000   0.0000   5.6633   2.3604  ?   ?  0.000000 2.360355 
1 1 1   13    3   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    3   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    4    0 o  105.716   8.3213  1349.50  204.766  1349.50  204.766  1349.50  204.766  105.716   8.3213  105.716   8.3213 0.000000 0.000000 
1 1 1   13    4    1 o  112.676   5.8047  1509.34  153.920  1248.70  217.503  1770.80  217.848  101.906   9.1357  121.787   7.6134 -19.88099 11.89218 
1 1 1   13    4    2 o  153.445   8.1854  2811.55  295.516  2646.40  417.859  2976.80  417.987  147.877   12.072  157.108   11.343 -9.231415 16.56488 
1 1 1   13    4    3 o  189.573   10.193  4312.02  454.635  4212.70  643.171  4411.20  642.733  185.746   14.786  190.251   14.414 -4.504578 20.64922 
1 1 1   13    4    4 o  163.922   8.7558  3213.26  337.693  3296.40  477.687  3130.20  477.454  165.016   12.349  160.669   12.688 4.346619 17.70498 
1 1 1   13    4    5 o  221.182   11.850  5900.00  616.654  5649.90  871.989  6150.20  872.172  213.846   17.420  223.594   16.638 -9.747192 24.08867 
1 1 1   13    4    6 o  266.632   14.292  8649.97  896.600  9048.20  1268.44  8252.30  1267.53  268.879   20.124  255.964   21.161 12.91547 29.20175 
1 1 1   13    4    7 f  161.520   8.5637  3120.19  325.459  3267.80  460.515  2972.90  460.023  164.327   11.950  156.499   12.554 7.828049 17.33186 
1 1 1   13    4    8 o  121.641   6.5252  1762.70  186.743  1824.90  264.206  1700.60  263.985  123.255   9.1429  118.881   9.4827 4.373093 13.17246 
1 1 1   13    4    9 o  103.935   5.1800  1280.59  127.132  1526.60  180.016  1035.80  179.570  113.121   6.7703   92.829   8.2789 20.29228 10.69469 
1 1 1   13    4   10 o   23.766   1.8932   67.150   10.537   76.400   14.901   57.900   14.901   25.300   2.5281   21.933   2.9520 3.366112 3.886605 
1 1 1   13    4   11 o  127.153   6.7643  1928.23  202.370  2082.10  286.310  1774.60  286.081  131.579   9.2742  121.216   10.086 10.36316 13.70189 
1 1 1   13    4   12 o  151.896   7.9900  2760.20  285.578  3059.90  404.039  2461.00  403.698  159.109   10.818  142.173   12.141 16.93497 16.26164 
1 1 1   13    4   13 o  122.639   6.3944  1792.85  184.535  2012.70  261.148  1573.60  260.797  129.481   8.5899  114.128   9.7714 15.35390 13.01029 
1 1 1   13    4   14 o  104.129   5.6766  1291.17  139.053  1304.50  196.535  1277.80  196.765  104.225   8.0479  103.125   8.1465 1.099434 11.45143 
1 1 1   13    4   15 o   37.969   2.4275  171.083   21.651  183.600   30.640  158.600   30.598   39.254   3.3372   36.432   3.6040 2.822052 4.911760 
1 1 1   13    4   16 o   33.065   2.2169  129.779   17.209  143.000   24.356  116.600   24.318   34.643   3.0072   31.215   3.3517 3.428255 4.503002 
1 1 1   13    4   17 o  175.257   9.4629  3700.03  390.164  3816.40  551.699  3583.60  551.850  176.291   13.352  170.567   13.820 5.723938 19.21641 
1 1 1   13    4   18 f  125.166   6.5778  1871.48  193.732  2219.50  274.083  1524.00  273.873  135.802   8.5912  111.873   10.490 23.92902 13.55884 
1 1 1   13    4   19 o   31.441   2.0403  117.312   15.066  140.400   21.371   94.500   21.243   34.355   2.6549   28.070   3.2660 6.285219 4.208921 
1 1 1   13    4   20 o  101.763   5.5528  1235.45  132.930  1264.60  187.995  1206.30  187.988  102.444   7.8307   99.990   8.0296 2.454643 11.21575 
1 1 1   13    4   21 o   60.464   3.5304  434.559   50.187  471.000   70.918  398.000   71.033   62.783   4.8204   57.607   5.2806 5.175343 7.149902 
1 1 1   13    4   22 o   50.800   2.7919  306.345   33.362  376.900   47.267  236.300   47.096   56.277   3.5754   44.365   4.5604 11.91122 5.794937 
1 1 1   13    4   23 o   27.614   2.0439   90.657   13.233   89.300   18.765   92.000   18.663   27.300   2.9582   27.723   2.8936 -0.4231548 4.138084 
1 1 1   13    4   24 o  132.233   6.9803  2112.20  217.186  2367.30  307.388  1857.90  306.909  138.742   9.4386  122.108   10.754 16.63317 14.30833 
1 1 1   13    4   25 o   67.157   3.8034  538.036   60.068  548.100   85.007  528.000   84.890   67.439   5.3829   66.158   5.4833 1.281052 7.683879 
1 1 1   13    4   26 o   14.219   2.3885   24.600   7.7351   24.600   7.7351   0.0000   0.0000   14.219   2.3885  ?   ?  0.000000 2.388476 
1 1 1   13    4   27 o  103.723   8.3764  1339.70  203.410  1339.70  203.410   0.0000   0.0000  103.723   8.3764  ?   ?  0.000000 8.376361 
1 1 1   13    4   28 o  126.099   10.439  2050.90  308.031  2050.90  308.031   0.0000   0.0000  126.099   10.439  ?   ?  0.000000 10.43858 
1 1 1   13    4   29 o   62.919   5.2337  482.400   77.053  482.400   77.053   0.0000   0.0000   62.919   5.2337  ?   ?  0.000000 5.233709 
1 1 1   13    4   30 o   63.860   5.3160  498.700   79.435  498.700   79.435   0.0000   0.0000   63.860   5.3160  ?   ?  0.000000 5.315969 
1 1 1   13    4   31 f   84.880   7.0062  903.700  139.171  903.700  139.171   0.0000   0.0000   84.880   7.0062  ?   ?  0.000000 7.006194 
1 1 1   13    4   32 o   14.161   2.4072   24.500   7.7611   24.500   7.7611   0.0000   0.0000   14.161   2.4072  ?   ?  0.000000 2.407180 
1 1 1   13    4   33 o   72.240   6.0322  651.100  101.957  651.100  101.957   0.0000   0.0000   72.240   6.0322  ?   ?  0.000000 6.032161 
1 1 1   13    4   34 o   37.018   3.4956  166.300   30.194  166.300   30.194   0.0000   0.0000   37.018   3.4956  ?   ?  0.000000 3.495578 
1 1 1   13    4   35 o   43.021   3.9040  226.400   39.228  226.400   39.228   0.0000   0.0000   43.021   3.9040  ?   ?  0.000000 3.904020 
1 1 1   13    4   36 o   46.537   4.2268  267.800   45.942  267.800   45.942   0.0000   0.0000   46.537   4.2268  ?   ?  0.000000 4.226831 
1 1 1   13    4   37 o   25.804   2.8901   81.300   17.308   81.300   17.308   0.0000   0.0000   25.804   2.8901  ?   ?  0.000000 2.890119 
1 1 1   13    4   38 o   13.729   2.4374   23.300   7.6127   23.300   7.6127   0.0000   0.0000   13.729   2.4374  ?   ?  0.000000 2.437432 
1 1 1   13    4   39 f   33.552   3.3463  139.300   26.159  139.300   26.159   0.0000   0.0000   33.552   3.3463  ?   ?  0.000000 3.346344 
1 1 1   13    4   40 o   9.9125   2.3263   12.300   5.3517   12.300   5.3517   0.0000   0.0000   9.9125   2.3263  ?   ?  0.000000 2.326325 
1 1 1   13    4   41 o   26.855   2.9652   89.100   18.490   89.100   18.490   0.0000   0.0000   26.855   2.9652  ?   ?  0.000000 2.965219 
1 1 1   13    4   42 o   8.3621   2.3250   8.7000   4.7572   8.7000   4.7572   0.0000   0.0000   8.3621   2.3250  ?   ?  0.000000 2.325019 
1 1 1   13    4   43 o   23.159   2.7924   66.500   14.963   66.500   14.963   0.0000   0.0000   23.159   2.7924  ?   ?  0.000000 2.792421 
1 1 1   13    4   44 o   35.545   3.5535  160.800   29.427  160.800   29.427   0.0000   0.0000   35.545   3.5535  ?   ?  0.000000 3.553478 
1 1 1   13    4   45 o   38.360   3.8080  191.100   34.037  191.100   34.037   0.0000   0.0000   38.360   3.8080  ?   ?  0.000000 3.807997 
1 1 1   13    4   46 o   25.352   2.9672   81.700   17.427   81.700   17.427   0.0000   0.0000   25.352   2.9672  ?   ?  0.000000 2.967164 
1 1 1   13    4   47 f   16.330   2.5936   33.900   9.6671   33.900   9.6671   0.0000   0.0000   16.330   2.5936  ?   ?  0.000000 2.593627 
1 1 1   13    4   48 o   14.573   2.5289   27.100   8.3872   27.100   8.3872   0.0000   0.0000   14.573   2.5289  ?   ?  0.000000 2.528898 
1 1 1   13    4   49 o   30.439   3.3535  122.400   23.704  122.400   23.704   0.0000   0.0000   30.439   3.3535  ?   ?  0.000000 3.353478 
1 1 1   13    4   50 o   21.442   2.8362   60.200   14.008   60.200   14.008   0.0000   0.0000   21.442   2.8362  ?   ?  0.000000 2.836246 
1 1 1   13    4   51 o   15.518   2.7633   32.500   9.7549   32.500   9.7549   0.0000   0.0000   15.518   2.7633  ?   ?  0.000000 2.763325 
1 1 1   13    4   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    4   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    4   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    4   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5    0 o  184.808   14.354  4157.30  617.722  4157.30  617.722  4157.30  617.722  184.808   14.354  184.808   14.354 0.000000 0.000000 
1 1 1   13    5    1 o   57.495   3.2983  392.123   44.592  409.600   63.111  374.700   63.014   58.641   4.5944   56.046   4.8079 2.594780 6.650129 
1 1 1   13    5    2 o  139.885   7.4851  2333.70  246.350  2386.90  348.573  2280.60  348.211  140.785   10.562  137.533   10.809 3.251831 15.11276 
1 1 1   13    5    3 o   62.099   3.0873  455.877   45.272  567.900   64.247  345.400   63.803   69.171   3.9498   53.758   5.0866 15.41249 6.440066 
1 1 1   13    5    4 o  261.000   12.533  8211.48  772.412  9825.90  1094.24  6608.10  1090.49  282.995   16.445  229.585   20.325 53.41049 26.14482 
1 1 1   13    5    5 o   35.930   2.2844  153.149   19.281  173.900   27.301  132.500   27.233   38.233   3.0494   33.287   3.5180 4.945747 4.655643 
1 1 1   13    5    6 o  124.114   6.4985  1834.32  189.796  2031.00  268.603  1638.20  268.221  130.174   8.7897  116.616   9.8320 13.55775 13.18815 
1 1 1   13    5    7 o  206.341   10.640  5120.86  516.677  5812.90  731.163  4430.60  730.221  218.320   14.261  189.449   16.487 28.87154 21.79935 
1 1 1   13    5    8 o   43.064   2.5081  219.905   25.394  258.700   35.980  181.400   35.846   46.657   3.2868   38.953   3.9518 7.703785 5.139971 
1 1 1   13    5    9 o   94.076   4.9148  1051.64  108.803  1196.50  154.009  907.300  153.733  100.129   6.5497   86.961   7.5618 13.16780 10.00395 
1 1 1   13    5   10 o   78.287   4.4926  728.279   82.703  781.900  116.712  674.200  117.210   80.908   6.1551   75.012   6.6874 5.896072 9.088768 
1 1 1   13    5   11 o  146.452   7.6732  2563.45  264.437  2836.20  374.179  2291.30  373.762  153.309   10.397  137.341   11.634 15.96854 15.60314 
1 1 1   13    5   12 o  178.757   9.4759  3839.44  398.557  4120.60  563.856  3558.70  563.435  183.789   13.078  170.269   14.141 13.52040 19.26151 
1 1 1   13    5   13 o  158.871   8.3573  3023.62  312.424  3295.20  442.060  2752.60  441.610  164.863   11.426  150.192   12.567 14.67111 16.98471 
1 1 1   13    5   14 o   28.421   2.0282   95.924   13.522  102.200   19.164   89.700   19.083   29.267   2.8074   27.378   3.0008 1.888529 4.109315 
1 1 1   13    5   15 o  111.131   5.8711  1471.20  153.522  1695.50  217.234  1247.40  216.992  118.943   7.7772  101.634   9.1393 17.30944 12.00046 
1 1 1   13    5   16 o  121.534   6.5897  1763.18  188.407  1880.90  266.418  1645.40  266.478  124.934   9.0931  116.623   9.7663 8.310539 13.34409 
1 1 1   13    5   17 o   70.514   3.9682  590.749   65.806  611.500   93.066  570.000   93.062   71.536   5.5529   69.019   5.7628 2.517563 8.002749 
1 1 1   13    5   18 o   57.060   3.3153  386.602   44.478  416.300   62.899  356.900   62.903   59.079   4.5435   54.621   4.9300 4.457302 6.704407 
1 1 1   13    5   19 o  167.892   8.9821  3397.23  354.806  3716.30  501.903  3078.50  501.641  174.109   12.287  157.732   13.601 16.37762 18.32908 
1 1 1   13    5   20 o   85.684   4.7384  874.296   95.500  873.200  134.789  875.400  135.328   85.258   6.7503   85.362   6.7692 -0.1039963 9.559737 
1 1 1   13    5   21 o  107.910   5.8355  1391.78  148.145  1363.30  209.064  1420.50  209.957  106.106   8.4130  108.367   8.2673 -2.260788 11.79521 
1 1 1   13    5   22 f  185.001   9.9828  4179.92  434.487  4645.40  614.606  3714.90  614.309  192.362   13.619  170.503   15.425 21.85825 20.57648 
1 1 1   13    5   23 o  188.279   10.218  4360.03  452.592  4924.10  640.214  3796.50  639.911  196.882   13.859  170.730   16.061 26.15274 21.21424 
1 1 1   13    5   24 o   56.100   3.1678  374.386   41.793  421.400   59.176  327.600   59.032   59.361   4.2498   52.192   4.8452 7.168983 6.444899 
1 1 1   13    5   25 o   42.274   2.4577  212.369   24.428  251.600   34.627  173.500   34.467   45.929   3.2130   37.990   3.8973 7.939014 5.050953 
1 1 1   13    5   26 o   69.491   3.8361  576.996   62.704  638.800   88.752  515.400   88.603   72.780   5.1985   65.155   5.8202 7.624710 7.803729 
1 1 1   13    5   27 o   56.080   3.2879  375.450   43.349  385.200   61.305  365.700   61.305   56.503   4.6355   55.011   4.7664 1.492374 6.648844 
1 1 1   13    5   28 o   68.262   5.6177  567.900   89.749  567.900   89.749   0.0000   0.0000   68.262   5.6177  ?   ?  0.000000 5.617723 
1 1 1   13    5   29 o   91.414   7.4859  1045.40  160.174  1045.40  160.174   0.0000   0.0000   91.414   7.4859  ?   ?  0.000000 7.485910 
1 1 1   13    5   30 f   27.802   2.9447   93.100   19.038   93.100   19.038   0.0000   0.0000   27.802   2.9447  ?   ?  0.000000 2.944661 
1 1 1   13    5   31 o   31.349   3.1396  118.500   22.929  118.500   22.929   0.0000   0.0000   31.349   3.1396  ?   ?  0.000000 3.139592 
1 1 1   13    5   32 o   43.705   3.9169  231.700   39.995  231.700   39.995   0.0000   0.0000   43.705   3.9169  ?   ?  0.000000 3.916940 
1 1 1   13    5   33 o   12.096   2.3539   18.000   6.4818   18.000   6.4818   0.0000   0.0000   12.096   2.3539  ?   ?  0.000000 2.353930 
1 1 1   13    5   34 o   15.647   2.4939   29.900   8.9054   29.900   8.9054   0.0000   0.0000   15.647   2.4939  ?   ?  0.000000 2.493945 
1 1 1   13    5   35 o   37.941   3.5582  175.500   31.506  175.500   31.506   0.0000   0.0000   37.941   3.5582  ?   ?  0.000000 3.558159 
1 1 1   13    5   36 o   61.828   5.3887  484.300   77.888  484.300   77.888   0.0000   0.0000   61.828   5.3887  ?   ?  0.000000 5.388721 
1 1 1   13    5   37 o   7.7023   2.2911   7.2000   4.4746   7.2000   4.4746   0.0000   0.0000   7.7023   2.2911  ?   ?  0.000000 2.291086 
1 1 1   13    5   38 o   39.844   3.7443  197.100   34.816  197.100   34.816   0.0000   0.0000   39.844   3.7443  ?   ?  0.000000 3.744301 
1 1 1   13    5   39 o   31.775   3.2356  124.700   23.939  124.700   23.939   0.0000   0.0000   31.775   3.2356  ?   ?  0.000000 3.235606 
1 1 1   13    5   40 o   13.276   2.4307   21.900   7.3392   21.900   7.3392   0.0000   0.0000   13.276   2.4307  ?   ?  0.000000 2.430732 
1 1 1   13    5   41 o   41.733   3.9350  220.100   38.320  220.100   38.320   0.0000   0.0000   41.733   3.9350  ?   ?  0.000000 3.935043 
1 1 1   13    5   42 o   27.518   3.0181   93.900   19.290   93.900   19.290   0.0000   0.0000   27.518   3.0181  ?   ?  0.000000 3.018069 
1 1 1   13    5   43 o   15.813   2.5127   31.100   9.0689   31.100   9.0689   0.0000   0.0000   15.813   2.5127  ?   ?  0.000000 2.512724 
1 1 1   13    5   44 o   24.226   2.8544   73.300   16.016   73.300   16.016   0.0000   0.0000   24.226   2.8544  ?   ?  0.000000 2.854445 
1 1 1   13    5   45 o   11.831   2.5286   17.800   6.8499   17.800   6.8499   0.0000   0.0000   11.831   2.5286  ?   ?  0.000000 2.528633 
1 1 1   13    5   46 o   30.257   3.2592  117.700   22.919  117.700   22.919   0.0000   0.0000   30.257   3.2592  ?   ?  0.000000 3.259219 
1 1 1   13    5   47 o   21.803   2.7904   60.500   14.037   60.500   14.037   0.0000   0.0000   21.803   2.7904  ?   ?  0.000000 2.790443 
1 1 1   13    5   48 o   21.561   2.7941   59.400   13.891   59.400   13.891   0.0000   0.0000   21.561   2.7941  ?   ?  0.000000 2.794071 
1 1 1   13    5   49 o   18.845   2.6826   45.600   11.601   45.600   11.601   0.0000   0.0000   18.845   2.6826  ?   ?  0.000000 2.682596 
1 1 1   13    5   50 o   6.6668   2.2030   5.4000   4.0317   5.4000   4.0317   0.0000   0.0000   6.6668   2.2030  ?   ?  0.000000 2.202958 
1 1 1   13    5   51 o   17.637   2.9766   42.700   11.956   42.700   11.956   0.0000   0.0000   17.637   2.9766  ?   ?  0.000000 2.976598 
1 1 1   13    5   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    5   55 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    6    0 o   42.266   3.8404  216.300   37.602  216.300   37.602  216.300   37.602   42.266   3.8404   42.266   3.8404 0.000000 0.000000 
1 1 1   13    6    1 o   52.398   3.0868  325.696   38.024  336.400   53.783  315.000   53.764   53.137   4.3238   51.391   4.4751 1.746704 6.222707 
1 1 1   13    6    2 o  144.126   7.6500  2478.47  259.423  2632.30  367.037  2324.90  366.722  147.854   10.583  138.715   11.294 9.138245 15.47713 
1 1 1   13    6    3 o  185.936   9.9497  4147.56  435.269  4188.50  615.844  4106.70  615.284  185.360   14.177  183.477   14.315 1.883057 20.14721 
1 1 1   13    6    4 o  124.485   6.5995  1845.57  193.302  1943.20  273.619  1748.30  273.121  127.244   9.1678  120.546   9.6765 6.698326 13.32981 
1 1 1   13    6    5 o  114.616   5.7024  1558.03  154.335  1872.20  218.497  1245.20  218.030  125.232   7.4218  101.705   9.1774 23.52759 11.80282 
1 1 1   13    6    6 o   85.947   4.7308  877.550   95.643  878.700  135.276  876.400  135.243   85.733   6.7363   85.619   6.7439 0.1141510 9.531908 
1 1 1   13    6    7 f   17.781   1.6881   37.681   7.0030   42.600   9.9231   32.800   9.8844   18.851   2.2752   16.454   2.6327 2.396919 3.479595 
1 1 1   13    6    8 o   87.306   4.7920  905.789   98.414  922.700  139.225  888.900  139.132   87.843   6.7639   86.188   6.8939 1.655045 9.658025 
1 1 1   13    6    9 o   56.365   3.2773  376.999   43.432  372.300   61.415  381.700   61.430   55.862   4.6994   56.576   4.6390 -0.7135201 6.603404 
1 1 1   13    6   10 o  191.717   10.353  4426.24  466.969  4673.70  660.275  4178.60  660.514  195.256   14.423  184.130   15.331 11.12552 21.04849 
1 1 1   13    6   11 o  174.111   9.3200  3640.15  381.790  3838.20  540.005  3442.20  539.861  177.427   12.979  167.649   13.758 9.778320 18.91412 
1 1 1   13    6   12 o  180.142   9.3364  3897.66  395.791  4341.30  560.138  3455.30  559.329  188.841   12.634  167.677   14.262 21.16360 19.05321 
1 1 1   13    6   13 o   91.224   4.8355  989.244  103.790  1100.70  146.918  878.200  146.646   95.984   6.5207   85.542   7.3307 10.44205 9.811145 
1 1 1   13    6   14 o   42.142   2.5594  210.693   25.348  233.600   35.892  187.900   35.803   44.300   3.4586   39.653   3.8731 4.646839 5.192545 
1 1 1   13    6   15 o  137.155   7.3298  2248.97  236.533  2364.80  334.622  2133.30  334.392  139.853   10.203  132.615   10.771 7.238342 14.83654 
1 1 1   13    6   16 o   58.416   3.3365  405.061   45.833  431.700   64.866  378.500   64.770   60.173   4.6000   56.277   4.9235 3.895287 6.738018 
1 1 1   13    6   17 o   71.774   4.0298  612.148   68.022  627.600   96.206  596.700   96.190   72.455   5.6683   70.613   5.8207 1.841774 8.124610 
1 1 1   13    6   18 o   77.158   4.3043  707.856   78.112  716.200  110.425  699.500  110.509   77.344   6.0956   76.417   6.1770 0.9267883 8.678177 
1 1 1   13    6   19 o  119.805   6.6892  1717.44  188.484  1908.70  266.289  1525.40  266.825  125.654   9.0349  111.887   10.212 13.76713 13.63480 
1 1 1   13    6   20 o   71.574   4.1115  609.444   69.198  642.300   97.648  576.300   98.075   73.239   5.6910   69.284   6.0555 3.954948 8.310008 
1 1 1   13    6   21 o   14.566   1.6574   25.394   5.5993   20.700   7.9138   30.100   7.9235   12.991   2.6691   15.807   2.1808 -2.816680 3.446705 
1 1 1   13    6   22 o   90.732   5.0452  983.126  107.667  1001.50  151.951  964.600  152.578   91.072   7.1224   89.319   7.2979 1.752907 10.19744 
1 1 1   13    6   23 o  131.613   7.1873  2092.12  222.525  2130.30  314.618  2053.90  314.778  131.327   10.226  128.820   10.438 2.507645 14.61225 
1 1 1   13    6   24 o   45.703   2.7837  248.394   29.898  256.800   42.297  240.000   42.269   46.315   3.9038   44.741   4.0446 1.574730 5.621238 
1 1 1   13    6   25 o   58.942   3.3894  414.074   46.976  442.100   66.466  386.100   66.404   60.661   4.6761   56.588   5.0216 4.073235 6.861660 
1 1 1   13    6   26 o   78.761   4.4081  743.646   81.654  733.800  115.453  753.500  115.499   77.609   6.3556   78.683   6.2684 -1.073250 8.926684 
1 1 1   13    6   27 o   85.117   4.6934  871.783   93.969  937.500  132.960  806.200  132.826   87.547   6.4776   80.904   7.0223 6.642647 9.553617 
1 1 1   13    6   28 o   66.401   3.5721  527.675   55.804  603.000   79.064  452.900   78.774   70.635   4.7681   60.917   5.5367 9.718685 7.306859 
1 1 1   13    6   29 o   19.446   2.5672   45.700   11.500   45.700   11.500   0.0000   0.0000   19.446   2.5672  ?   ?  0.000000 2.567185 
1 1 1   13    6   30 o   40.486   3.6877  197.900   34.868  197.900   34.868   0.0000   0.0000   40.486   3.6877  ?   ?  0.000000 3.687652 
1 1 1   13    6   31 o   26.565   2.8843   85.100   17.802   85.100   17.802   0.0000   0.0000   26.565   2.8843  ?   ?  0.000000 2.884289 
1 1 1   13    6   32 o   28.114   2.9646   95.400   19.384   95.400   19.384   0.0000   0.0000   28.114   2.9646  ?   ?  0.000000 2.964593 
1 1 1   13    6   33 o   55.006   4.7143  371.200   60.642  371.200   60.642   0.0000   0.0000   55.006   4.7143  ?   ?  0.000000 4.714310 
1 1 1   13    6   34 o   56.419   4.8445  392.800   63.915  392.800   63.915   0.0000   0.0000   56.419   4.8445  ?   ?  0.000000 4.844491 
1 1 1   13    6   35 o   28.278   2.9936   97.100   19.686   97.100   19.686   0.0000   0.0000   28.278   2.9936  ?   ?  0.000000 2.993647 
1 1 1   13    6   36 o   49.220   4.3668  300.900   50.227  300.900   50.227   0.0000   0.0000   49.220   4.3668  ?   ?  0.000000 4.366829 
1 1 1   13    6   37 o   64.629   5.6884  541.200   85.928  541.200   85.928   0.0000   0.0000   64.629   5.6884  ?   ?  0.000000 5.688439 
1 1 1   13    6   38 o   10.934   2.3622   14.900   5.9211   14.900   5.9211   0.0000   0.0000   10.934   2.3622  ?   ?  0.000000 2.362220 
1 1 1   13    6   39 o   38.785   3.6875  187.600   33.366  187.600   33.366   0.0000   0.0000   38.785   3.6875  ?   ?  0.000000 3.687540 
1 1 1   13    6   40 o   15.964   2.5099   31.500   9.1495   31.500   9.1495   0.0000   0.0000   15.964   2.5099  ?   ?  0.000000 2.509924 
1 1 1   13    6   41 o   37.806   3.6542  179.300   32.216  179.300   32.216   0.0000   0.0000   37.806   3.6542  ?   ?  0.000000 3.654211 
1 1 1   13    6   42 o   37.235   3.6328  174.400   31.534  174.400   31.534   0.0000   0.0000   37.235   3.6328  ?   ?  0.000000 3.632763 
1 1 1   13    6   43 o   7.1212   2.4006   5.8000   4.7838   5.8000   4.7838   0.0000   0.0000   7.1212   2.4006  ?   ?  0.000000 2.400626 
1 1 1   13    6   44 o   9.7804   2.3535   12.100   5.3694   12.100   5.3694   0.0000   0.0000   9.7804   2.3535  ?   ?  0.000000 2.353453 
1 1 1   13    6   45 o   30.760   3.2671  120.500   23.367  120.500   23.367   0.0000   0.0000   30.760   3.2671  ?   ?  0.000000 3.267149 
1 1 1   13    6   46 o   35.273   3.6132  162.600   29.671  162.600   29.671   0.0000   0.0000   35.273   3.6132  ?   ?  0.000000 3.613242 
1 1 1   13    6   47 o   3.7926   1.5703   0.5000   2.2974   0.5000   2.2974   0.0000   0.0000   3.7926   1.5703  ?   ?  0.000000 1.570256 
1 1 1   13    6   48 f   34.096   3.5847  154.100   28.429  154.100   28.429   0.0000   0.0000   34.096   3.5847  ?   ?  0.000000 3.584708 
1 1 1   13    6   49 o   30.900   3.3938  126.700   24.355  126.700   24.355   0.0000   0.0000   30.900   3.3938  ?   ?  0.000000 3.393817 
1 1 1   13    6   50 o   12.438   2.5874   20.400   7.3520   20.400   7.3520   0.0000   0.0000   12.438   2.5874  ?   ?  0.000000 2.587353 
1 1 1   13    6   51 o   7.4748   2.5373   7.1000   5.3445   7.1000   5.3445   0.0000   0.0000   7.4748   2.5373  ?   ?  0.000000 2.537336 
1 1 1   13    6   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    6   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    6   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    7    0 o  180.679   14.045  3973.90  590.878  3973.90  590.878  3973.90  590.878  180.679   14.045  180.679   14.045 0.000000 0.000000 
1 1 1   13    7    1 o  102.773   5.5629  1255.92  134.501  1360.70  190.237  1151.20  190.189  106.671   7.6022   97.945   8.3013 8.726364 11.25632 
1 1 1   13    7    2 o  148.423   7.9964  2631.10  279.224  2578.20  395.063  2683.90  394.701  146.015   11.552  149.071   11.297 -3.056061 16.15765 
1 1 1   13    7    3 o  183.515   9.5103  4036.23  410.711  4430.00  581.402  3644.00  580.267  191.092   12.961  172.697   14.359 18.39510 19.34390 
1 1 1   13    7    4 f   82.804   4.5676  814.345   88.965  838.400  125.829  790.300  125.802   83.786   6.4084   81.303   6.6100 2.483635 9.206489 
1 1 1   13    7    5 o   56.936   3.2010  384.508   42.862  427.200   60.681  342.000   60.550   59.918   4.3177   53.514   4.8442 6.404148 6.489146 
1 1 1   13    7    6 f   28.741   2.0527   98.085   13.840  103.500   19.599   92.700   19.545   29.452   2.8539   27.838   3.0218 1.613886 4.156475 
1 1 1   13    7    7 o  144.138   7.6679  2481.58  260.046  2612.40  367.925  2351.00  367.596  147.123   10.663  139.350   11.268 7.772980 15.51318 
1 1 1   13    7    8 o  148.660   7.9302  2641.90  277.376  2911.80  392.341  2372.20  392.198  155.304   10.765  139.717   12.004 15.58676 16.12390 
1 1 1   13    7    9 o   73.844   3.6614  645.177   63.844  819.100   90.426  472.300   90.154   83.023   4.6309   62.763   6.1625 20.26022 7.708570 
1 1 1   13    7   10 o  122.495   6.6130  1789.30  190.575  1988.40  269.516  1590.20  269.513  128.644   8.9275  114.697   10.052 13.94742 13.44436 
1 1 1   13    7   11 o  267.685   14.425  8776.13  908.417  9320.10  1285.07  8232.80  1284.31  271.279   20.206  253.628   21.652 17.65092 29.61536 
1 1 1   13    7   12 o   58.924   3.2204  411.882   44.639  482.500   63.204  341.600   63.054   63.691   4.2265   53.437   5.0572 10.25403 6.590754 
1 1 1   13    7   13 o  116.745   6.2115  1624.55  170.622  1750.30  241.444  1499.10  241.147  120.702   8.5259  111.485   9.2435 9.216476 12.57514 
1 1 1   13    7   14 o   33.368   2.1550  132.117   16.889  156.500   23.926  107.900   23.844   36.273   2.8154   30.005   3.4268 6.267942 4.435031 
1 1 1   13    7   15 o   55.847   3.2143  370.170   42.210  396.700   59.728  343.700   59.661   57.693   4.4178   53.633   4.7603 4.060402 6.494416 
1 1 1   13    7   16 f  147.937   7.9708  2623.35  277.420  2653.90  392.303  2592.80  392.359  147.679   11.336  145.904   11.481 1.775192 16.13445 
1 1 1   13    7   17 o  118.105   6.2757  1664.98  174.394  1793.50  246.797  1536.80  246.465  122.018   8.6211  112.702   9.3454 9.315933 12.71453 
1 1 1   13    7   18 o   57.338   3.3056  390.381   44.568  405.400   63.067  375.400   62.989   58.281   4.6205   56.043   4.8062 2.237965 6.666958 
1 1 1   13    7   19 o   94.897   5.1447  1073.12  114.854  1193.70  162.482  952.700  162.375   99.738   6.9422   88.847   7.8192 10.89150 10.45626 
1 1 1   13    7   20 o  178.161   9.8707  3855.25  413.641  4023.30  584.103  3686.20  585.855  179.611   13.880  171.389   14.616 8.222046 20.15589 
1 1 1   13    7   21 f   47.666   2.8883  269.907   32.356  273.600   45.715  266.200   45.801   47.846   4.0854   47.181   4.1534 0.6656227 5.825877 
1 1 1   13    7   22 o  200.825   11.130  4981.39  525.760  5277.90  743.364  4684.60  743.711  202.449   15.672  189.528   16.791 12.92087 22.96865 
1 1 1   13    7   23 o   96.753   5.2952  1121.06  120.520  1241.60  170.466  1000.60  170.415  101.256   7.1759   90.544   8.0546 10.71162 10.78753 
1 1 1   13    7   24 o  103.012   5.6656  1275.81  137.284  1293.20  194.113  1258.40  194.185  102.781   8.0626  101.326   8.1857 1.454933 11.48963 
1 1 1   13    7   25 o   12.147   1.5212   17.715   4.2673   22.600   6.0892   13.000   5.9821   13.686   1.9384   10.271   2.4919 3.414711 3.157041 
1 1 1   13    7   26 o   49.118   2.8787  287.379   33.243  318.000   47.067  256.900   46.958   51.496   3.8996   46.159   4.3598 5.336956 5.849285 
1 1 1   13    7   27 o   52.063   3.0820  323.440   37.721  338.800   53.364  308.100   53.328   53.031   4.2984   50.501   4.5197 2.529533 6.237306 
1 1 1   13    7   28 o   32.563   2.1537  126.244   16.466  142.900   23.327  109.700   23.248   34.546   2.8860   30.159   3.3193 4.386541 4.398518 
1 1 1   13    7   29 o   81.809   4.4664  808.193   85.955  913.800  121.650  702.900  121.469   86.245   6.0109   75.105   6.9271 11.13933 9.171495 
1 1 1   13    7   30 o   36.914   2.2538  162.371   19.551  188.500   27.719  136.500   27.581   39.655   2.9820   33.596   3.5294 6.059036 4.620496 
1 1 1   13    7   31 o   26.934   2.9094   87.500   18.210   87.500   18.210   0.0000   0.0000   26.934   2.9094  ?   ?  0.000000 2.909378 
1 1 1   13    7   32 o   21.325   2.6506   55.000   13.059   55.000   13.059   0.0000   0.0000   21.325   2.6506  ?   ?  0.000000 2.650554 
1 1 1   13    7   33 o   53.365   4.5992  349.200   57.390  349.200   57.390   0.0000   0.0000   53.365   4.5992  ?   ?  0.000000 4.599191 
1 1 1   13    7   34 f   64.119   5.4449  512.800   81.661  512.800   81.661   0.0000   0.0000   64.119   5.4449  ?   ?  0.000000 5.444946 
1 1 1   13    7   35 f   40.520   3.7355  200.900   35.340  200.900   35.340   0.0000   0.0000   40.520   3.7355  ?   ?  0.000000 3.735506 
1 1 1   13    7   36 f   47.465   4.2428  279.500   47.052  279.500   47.052   0.0000   0.0000   47.465   4.2428  ?   ?  0.000000 4.242752 
1 1 1   13    7   37 o   30.773   3.1547  116.100   22.600  116.100   22.600   0.0000   0.0000   30.773   3.1547  ?   ?  0.000000 3.154691 
1 1 1   13    7   38 o   22.545   2.7397   62.300   14.286   62.300   14.286   0.0000   0.0000   22.545   2.7397  ?   ?  0.000000 2.739689 
1 1 1   13    7   39 o   24.631   2.8447   74.600   16.241   74.600   16.241   0.0000   0.0000   24.631   2.8447  ?   ?  0.000000 2.844732 
1 1 1   13    7   40 o   31.124   3.2106  120.000   23.258  120.000   23.258   0.0000   0.0000   31.124   3.2106  ?   ?  0.000000 3.210639 
1 1 1   13    7   41 o   14.632   2.5108   26.600   8.3629   26.600   8.3629   0.0000   0.0000   14.632   2.5108  ?   ?  0.000000 2.510792 
1 1 1   13    7   42 o   12.120   2.4530   18.400   6.7797   18.400   6.7797   0.0000   0.0000   12.120   2.4530  ?   ?  0.000000 2.453010 
1 1 1   13    7   43 o   20.199   2.6846   50.700   12.488   50.700   12.488   0.0000   0.0000   20.199   2.6846  ?   ?  0.000000 2.684628 
1 1 1   13    7   44 o   40.274   3.9341  210.300   36.936  210.300   36.936   0.0000   0.0000   40.274   3.9341  ?   ?  0.000000 3.934062 
1 1 1   13    7   45 o   21.075   2.7293   55.800   13.264   55.800   13.264   0.0000   0.0000   21.075   2.7293  ?   ?  0.000000 2.729345 
1 1 1   13    7   46 o   16.914   2.5947   36.200   10.032   36.200   10.032   0.0000   0.0000   16.914   2.5947  ?   ?  0.000000 2.594666 
1 1 1   13    7   47 o   45.681   4.6007  291.400   48.952  291.400   48.952   0.0000   0.0000   45.681   4.6007  ?   ?  0.000000 4.600661 
1 1 1   13    7   48 o   24.386   2.9537   76.600   16.662   76.600   16.662   0.0000   0.0000   24.386   2.9537  ?   ?  0.000000 2.953665 
1 1 1   13    7   49 o   11.824   2.4711   18.100   6.6770   18.100   6.6770   0.0000   0.0000   11.824   2.4711  ?   ?  0.000000 2.471056 
1 1 1   13    7   50 o   15.705   2.6421   32.400   9.4506   32.400   9.4506   0.0000   0.0000   15.705   2.6421  ?   ?  0.000000 2.642142 
1 1 1   13    7   51 o   4.9913   2.1836  -0.3000   4.8937  -0.3000   4.8937   0.0000   0.0000   4.9913   2.1836  ?   ?  0.000000 2.183551 
1 1 1   13    7   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    7   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    7   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    8    0 o   80.719   6.4897  786.300  121.860  786.300  121.860  786.300  121.860   80.719   6.4897   80.719   6.4897 0.000000 0.000000 
1 1 1   13    8    1 o  157.561   8.4675  2968.82  313.885  2999.40  443.729  2938.20  444.072  157.366   12.032  155.697   12.175 1.668625 17.11769 
1 1 1   13    8    2 o   86.268   4.7279  884.080   95.945  909.100  135.742  859.100  135.632   87.229   6.6399   84.752   6.8353 2.476875 9.529433 
1 1 1   13    8    3 f  169.893   9.1051  3457.79  363.947  3399.50  514.657  3516.10  514.739  167.153   13.145  170.099   12.911 -2.946030 18.42547 
1 1 1   13    8    4 o  305.966   15.879 11485.70  1143.34 13240.20  1617.94  9735.60  1615.92  323.810   21.278  273.863   25.273 49.94733 33.03738 
1 1 1   13    8    5 o  116.351   5.9224  1610.80  162.178  1908.40  229.567  1314.30  229.142  126.345   7.7319  104.418   9.3937 21.92654 12.16653 
1 1 1   13    8    6 o   42.840   2.5740  217.682   25.918  244.800   36.699  190.700   36.608   45.363   3.4520   39.951   3.9314 5.411869 5.231859 
1 1 1   13    8    7 o  305.133   15.887 11448.52  1140.77 13190.70  1614.30  9710.70  1612.28  322.560   21.314  272.768   25.320 49.79120 33.09683 
1 1 1   13    8    8 o  133.947   7.1128  2141.12  224.168  2419.60  317.125  1863.00  316.919  141.837   9.5237  123.996   10.936 17.84133 14.50145 
1 1 1   13    8    9 o  105.224   5.5347  1317.33  137.040  1514.10  193.938  1121.10  193.670  112.520   7.3393   96.502   8.5887 16.01847 11.29741 
1 1 1   13    8   10 o   79.690   4.3441  754.344   81.437  873.800  115.220  635.100  115.118   85.607   5.7329   72.758   6.7784 12.84824 8.877669 
1 1 1   13    8   11 o   97.141   5.2893  1122.67  120.871  1182.80  170.980  1062.60  170.896   99.376   7.3381   94.081   7.7618 5.295158 10.68149 
1 1 1   13    8   12 o  198.016   10.692  4733.80  498.096  5056.20  704.360  4411.30  704.467  202.650   14.822  188.599   15.968 14.05156 21.78713 
1 1 1   13    8   13 o  228.117   12.410  6328.09  665.989  6507.00  941.482  6148.90  942.219  228.019   17.622  221.212   18.199 6.806992 25.33289 
1 1 1   13    8   14 o   56.279   3.2742  375.946   43.324  372.900   61.231  379.000   61.308   55.894   4.6823   56.357   4.6484 -0.4628410 6.597868 
1 1 1   13    8   15 o  122.509   6.6513  1792.04  191.691  1874.10  271.024  1709.90  271.161  124.646   9.2744  118.898   9.7436 5.747948 13.45191 
1 1 1   13    8   16 o   99.254   5.4421  1173.53  127.064  1279.40  179.670  1067.60  179.721  103.268   7.4173   94.120   8.1674 9.147987 11.03280 
1 1 1   13    8   17 o  174.921   9.3920  3689.80  386.520  4121.30  546.681  3258.50  546.562  183.337   12.706  162.044   14.435 21.29358 19.23046 
1 1 1   13    8   18 o  105.907   5.7659  1338.15  143.652  1467.40  203.158  1208.90  203.150  110.447   7.8406   99.975   8.6918 10.47228 11.70561 
1 1 1   13    8   19 o   58.355   3.4331  404.623   47.098  422.600   66.472  386.500   66.742   59.470   4.7737   56.818   5.0264 2.652107 6.932034 
1 1 1   13    8   20 o  126.079   9.8714  1938.40  291.542  1938.40  291.542   0.0000   0.0000  126.079   9.8714  ?   ?  0.000000 9.871383 
1 1 1   13    8   21 o   33.113   3.2173  131.100   24.839  131.100   24.839   0.0000   0.0000   33.113   3.2173  ?   ?  0.000000 3.217300 
1 1 1   13    8   22 o  105.300   5.9419  1330.34  147.143  1459.00  207.817  1201.00  208.367  109.564   8.0897   99.005   9.0114 10.55901 12.10982 
1 1 1   13    8   23 o   7.0513   1.6530   6.1148   2.7045   5.8000   3.9225   6.4000   3.7340   7.0109   2.1579   7.2701   2.0735 -0.2591372 2.992686 
1 1 1   13    8   24 o   94.358   5.1352  1068.28  113.989  1035.10  160.667  1101.90  161.748   92.069   7.4541   95.090   7.2583 -3.021400 10.40413 
1 1 1   13    8   25 o   62.805   3.7454  471.231   55.294  538.400   78.092  403.700   78.302   66.859   4.9821   57.616   5.8359 9.243088 7.673265 
1 1 1   13    8   26 o   61.361   3.5511  449.900   51.234  449.800   72.294  450.000   72.618   60.981   5.0663   60.989   5.0888 -0.7266998E-02 7.180812 
1 1 1   13    8   27 o   36.259   2.3606  156.561   20.101  150.300   28.340  162.900   28.515   35.352   3.4385   36.840   3.3133 -1.488052 4.775027 
1 1 1   13    8   28 o   28.700   2.0842   98.150   14.029   96.700   19.836   99.600   19.843   28.345   3.0097   28.780   2.9620 -0.4349651 4.222758 
1 1 1   13    8   29 o   81.559   4.5840  804.539   87.926  842.000  124.365  767.100  124.328   82.508   6.4341   78.542   6.7697 3.965683 9.339506 
1 1 1   13    8   30 o   27.195   2.0238   88.202   12.903   87.600   18.272   88.800   18.224   26.957   2.9171   27.149   2.8870 -0.1918240 4.104148 
1 1 1   13    8   31 o   38.547   2.4946  177.505   22.586  181.000   31.917  174.000   31.965   38.704   3.5311   37.921   3.6134 0.7825699 5.052288 
1 1 1   13    8   32 o   67.133   3.8300  544.316   60.463  565.600   85.576  523.100   85.439   67.702   5.3977   64.975   5.6241 2.727470 7.795236 
1 1 1   13    8   33 o   18.262   2.5325   40.500   10.627   40.500   10.627   0.0000   0.0000   18.262   2.5325  ?   ?  0.000000 2.532534 
1 1 1   13    8   34 o   40.574   3.7287  200.700   35.324  200.700   35.324   0.0000   0.0000   40.574   3.7287  ?   ?  0.000000 3.728654 
1 1 1   13    8   35 o   46.297   4.1357  264.100   44.737  264.100   44.737   0.0000   0.0000   46.297   4.1357  ?   ?  0.000000 4.135745 
1 1 1   13    8   36 o   28.398   3.0093   98.400   19.872   98.400   19.872   0.0000   0.0000   28.398   3.0093  ?   ?  0.000000 3.009306 
1 1 1   13    8   37 o   62.384   5.5029  503.200   80.232  503.200   80.232   0.0000   0.0000   62.384   5.5029  ?   ?  0.000000 5.502856 
1 1 1   13    8   38 o   28.109   3.0202   97.100   19.733   97.100   19.733   0.0000   0.0000   28.109   3.0202  ?   ?  0.000000 3.020244 
1 1 1   13    8   39 o   27.297   2.9756   91.800   18.869   91.800   18.869   0.0000   0.0000   27.297   2.9756  ?   ?  0.000000 2.975600 
1 1 1   13    8   40 o   42.250   3.9578  225.100   39.026  225.100   39.026   0.0000   0.0000   42.250   3.9578  ?   ?  0.000000 3.957753 
1 1 1   13    8   41 o   44.027   4.0997  246.300   42.131  246.300   42.131   0.0000   0.0000   44.027   4.0997  ?   ?  0.000000 4.099662 
1 1 1   13    8   42 o   29.132   3.1027  105.500   21.015  105.500   21.015   0.0000   0.0000   29.132   3.1027  ?   ?  0.000000 3.102655 
1 1 1   13    8   43 o   11.584   2.4271   16.900   6.4265   16.900   6.4265   0.0000   0.0000   11.584   2.4271  ?   ?  0.000000 2.427105 
1 1 1   13    8   44 o   16.866   2.5601   35.600   9.8754   35.600   9.8754   0.0000   0.0000   16.866   2.5601  ?   ?  0.000000 2.560072 
1 1 1   13    8   45 o   29.756   3.2045  112.900   22.161  112.900   22.161   0.0000   0.0000   29.756   3.2045  ?   ?  0.000000 3.204469 
1 1 1   13    8   46 o   24.696   2.9329   77.700   16.769   77.700   16.769   0.0000   0.0000   24.696   2.9329  ?   ?  0.000000 2.932896 
1 1 1   13    8   47 f   24.695   2.9506   78.100   16.865   78.100   16.865   0.0000   0.0000   24.695   2.9506  ?   ?  0.000000 2.950557 
1 1 1   13    8   48 o   5.9988   2.0587   4.1000   3.5190   4.1000   3.5190   0.0000   0.0000   5.9988   2.0587  ?   ?  0.000000 2.058678 
1 1 1   13    8   49 o   26.085   3.0916   89.400   18.672   89.400   18.672   0.0000   0.0000   26.085   3.0916  ?   ?  0.000000 3.091603 
1 1 1   13    8   50 f   4.1277   1.9075  -3.1000   4.3651  -3.1000   4.3651   0.0000   0.0000   4.1277   1.9075  ?   ?  0.000000 1.907508 
1 1 1   13    8   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    8   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    8   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    8   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    9    0 o  237.338   18.580  6935.40  1026.60  6935.40  1026.60  6935.40  1026.60  237.338   18.580  237.338   18.580 0.000000 0.000000 
1 1 1   13    9    1 o  146.718   7.9383  2572.30  274.002  2453.80  387.658  2690.60  387.338  142.310   11.638  149.236   11.070 -6.925247 16.06205 
1 1 1   13    9    2 o  256.690   13.654  8014.19  824.653  8812.00  1166.83  7218.00  1165.64  265.854   18.706  238.954   20.867 26.90025 28.02421 
1 1 1   13    9    3 o  138.152   7.4746  2278.72  242.935  2450.40  343.494  2106.90  343.628  142.592   10.270  131.925   11.135 10.66692 15.14792 
1 1 1   13    9    4 o   80.744   4.3463  774.179   82.564  863.300  116.842  685.300  116.683   85.092   5.8506   75.656   6.5974 9.436020 8.817840 
1 1 1   13    9    5 o  112.749   6.0547  1513.62  160.611  1718.30  227.183  1309.10  227.095  119.777   8.0795  104.207   9.3275 15.56992 12.34019 
1 1 1   13    9    6 o  324.656   18.473 13138.36  1410.36 13982.90  1991.78 12289.10  1997.34  326.670   26.037  303.630   28.179 23.03992 38.36644 
1 1 1   13    9    7 o  193.971   10.478  4532.00  478.127  4794.50  676.048  4269.30  676.298  197.725   14.582  186.057   15.535 11.66759 21.30714 
1 1 1   13    9    8 o  160.860   8.6836  3100.97  328.623  3396.30  464.685  2805.50  464.802  167.331   11.837  151.536   13.119 15.79428 17.66952 
1 1 1   13    9    9 o  105.801   6.0934  1334.05  151.590  1563.90  214.033  1102.70  214.730  114.221   7.9857   95.445   9.6605 18.77628 12.53380 
1 1 1   13    9   10 o  164.827   8.8742  3259.03  344.124  3327.50  486.573  3190.50  486.757  165.266   12.562  161.693   12.855 3.573059 17.97359 
1 1 1   13    9   11 o  220.566   11.854  5898.02  615.109  6665.90  869.970  5130.40  869.820  232.107   15.970  201.951   18.443 30.15588 24.39674 
1 1 1   13    9   12 o  108.286   5.8579  1396.77  149.231  1544.90  211.067  1248.70  211.022  113.499   7.9250  101.772   8.8695 11.72750 11.89431 
1 1 1   13    9   13 o  192.320   10.378  4463.18  469.558  4690.50  664.011  4235.80  664.099  195.199   14.509  185.003   15.340 10.19629 21.11499 
1 1 1   13    9   14 o  136.643   7.2812  2232.40  234.089  2498.40  331.145  1966.70  330.960  143.867   9.8060  127.149   11.135 16.71753 14.83748 
1 1 1   13    9   15 o   51.865   3.0677  319.297   37.404  317.800   52.836  320.800   52.959   51.601   4.3775   51.847   4.3663 -0.2458267 6.182810 
1 1 1   13    9   16 o  219.426   11.985  5869.76  618.665  6157.40  874.687  5581.80  875.163  221.408   16.857  210.025   17.814 11.38313 24.52549 
1 1 1   13    9   17 o  166.038   9.0371  3321.95  352.987  3651.70  499.089  2991.90  499.310  172.646   12.323  155.500   13.739 17.14616 18.45621 
1 1 1   13    9   18 o   66.220   3.7688  521.159   58.688  547.900   82.983  494.400   83.012   67.702   5.2313   64.244   5.5258 3.458176 7.609286 
1 1 1   13    9   19 o  242.501   13.893  7313.88  792.226  8401.90  1119.56  6222.70  1121.19  254.805   18.739  215.176   22.394 39.62918 29.19982 
1 1 1   13    9   20 o   30.078   2.0887  107.468   14.743   94.800   20.783  120.300   20.917   28.115   3.1867   31.759   2.8184 -3.643709 4.254227 
1 1 1   13    9   21 o  135.531   10.697  2265.30  339.549  2265.30  339.549   0.0000   0.0000  135.531   10.697  ?   ?  0.000000 10.69664 
1 1 1   13    9   22 o   67.046   3.9622  535.840   62.450  642.200   88.218  429.000   88.417   73.197   5.1364   59.475   6.3962 13.72238 8.203259 
1 1 1   13    9   23 o  119.839   6.7729  1736.46  190.876  1880.00  269.513  1592.00  270.367  123.443   9.3145  113.035   10.240 10.40811 13.84296 
1 1 1   13    9   24 f  108.527   6.1428  1423.19  156.775  1556.50  221.434  1289.20  221.995  112.415   8.4025  101.755   9.3434 10.66036 12.56586 
1 1 1   13    9   25 o   94.038   5.3146  1065.82  117.530  1146.00  166.037  985.300  166.389   96.651   7.3296   89.271   7.9773 7.380768 10.83325 
1 1 1   13    9   26 o   50.493   2.9535  303.951   35.062  285.400   49.389  322.800   49.784   48.647   4.3452   51.815   4.1024 -3.168358 5.975794 
1 1 1   13    9   27 f   74.664   4.3089  670.488   75.646  777.800  106.911  562.900  107.049   79.902   5.7038   67.453   6.8142 12.44988 8.886324 
1 1 1   13    9   28 o   60.491   3.5473  438.698   50.449  453.200   71.229  424.100   71.464   61.043   4.9850   58.967   5.1850 2.075367 7.192695 
1 1 1   13    9   29 o   48.998   3.0196  287.224   34.767  335.700   49.131  238.600   49.205   52.745   3.9738   44.184   4.7929 8.560421 6.226018 
1 1 1   13    9   30 o   56.300   3.3029  380.220   43.719  374.300   61.674  386.200   61.982   55.394   4.7612   56.294   4.7059 -0.8999748 6.694349 
1 1 1   13    9   31 o   55.122   3.3379  365.098   43.243  395.800   61.057  334.200   61.252   56.976   4.5768   52.149   5.0367 4.826359 6.805583 
1 1 1   13    9   32 o   48.596   2.9630  283.263   33.839  287.000   47.774  279.500   47.937   48.535   4.2101   47.866   4.2866 0.6695404 6.008322 
1 1 1   13    9   33 o   57.020   3.2276  391.403   43.279  437.200   61.305  345.900   61.108   59.806   4.3713   52.903   4.9492 6.902775 6.603228 
1 1 1   13    9   34 o   21.134   1.8328   53.458   9.0562   52.900   12.901   54.000   12.716   20.863   2.6806   21.098   2.6079 -0.2352314 3.739882 
1 1 1   13    9   35 o   27.380   2.9499   91.200   18.771   91.200   18.771   0.0000   0.0000   27.380   2.9499  ?   ?  0.000000 2.949948 
1 1 1   13    9   36 o   55.236   4.8664  385.200   62.824  385.200   62.824   0.0000   0.0000   55.236   4.8664  ?   ?  0.000000 4.866382 
1 1 1   13    9   37 o   44.267   4.0519  244.500   41.885  244.500   41.885   0.0000   0.0000   44.267   4.0519  ?   ?  0.000000 4.051939 
1 1 1   13    9   38 o   15.856   2.4941   31.000   9.0300   31.000   9.0300   0.0000   0.0000   15.856   2.4941  ?   ?  0.000000 2.494082 
1 1 1   13    9   39 f   37.853   3.6342  178.800   32.085  178.800   32.085   0.0000   0.0000   37.853   3.6342  ?   ?  0.000000 3.634176 
1 1 1   13    9   40 o   24.505   2.8339   74.000   16.096   74.000   16.096   0.0000   0.0000   24.505   2.8339  ?   ?  0.000000 2.833920 
1 1 1   13    9   41 o   18.652   2.6193   43.000   11.218   43.000   11.218   0.0000   0.0000   18.652   2.6193  ?   ?  0.000000 2.619264 
1 1 1   13    9   42 o   33.134   3.3568  137.500   25.902  137.500   25.902   0.0000   0.0000   33.134   3.3568  ?   ?  0.000000 3.356784 
1 1 1   13    9   43 o   48.048   4.5238  304.200   50.722  304.200   50.722   0.0000   0.0000   48.048   4.5238  ?   ?  0.000000 4.523802 
1 1 1   13    9   44 o   16.732   2.5813   35.100   9.8704   35.100   9.8704   0.0000   0.0000   16.732   2.5813  ?   ?  0.000000 2.581261 
1 1 1   13    9   45 o   4.1222   1.6214   1.2000   2.3135   1.2000   2.3135   0.0000   0.0000   4.1222   1.6214  ?   ?  0.000000 1.621365 
1 1 1   13    9   46 o   14.528   2.5813   26.900   8.5309   26.900   8.5309   0.0000   0.0000   14.528   2.5813  ?   ?  0.000000 2.581312 
1 1 1   13    9   47 o   24.825   2.9688   79.000   17.058   79.000   17.058   0.0000   0.0000   24.825   2.9688  ?   ?  0.000000 2.968842 
1 1 1   13    9   48 f   27.982   3.1733  102.100   20.597  102.100   20.597   0.0000   0.0000   27.982   3.1733  ?   ?  0.000000 3.173304 
1 1 1   13    9   49 o   3.7312   1.5686   0.3000   2.3448   0.3000   2.3448   0.0000   0.0000   3.7312   1.5686  ?   ?  0.000000 1.568612 
1 1 1   13    9   50 o   21.068   2.9720   59.800   14.375   59.800   14.375   0.0000   0.0000   21.068   2.9720  ?   ?  0.000000 2.971978 
1 1 1   13    9   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    9   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    9   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13    9   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   10    0 o  192.087   14.987  4507.50  670.261  4507.50  670.261  4507.50  670.261  192.087   14.987  192.087   14.987 0.000000 0.000000 
1 1 1   13   10    1 o  114.784   6.1511  1568.91  166.115  1629.40  235.096  1508.60  234.750  116.516   8.6056  112.014   8.9498 4.501648 12.41591 
1 1 1   13   10    2 o   59.015   3.4213  413.314   47.473  427.300   67.102  399.300   67.171   59.865   4.7868   57.835   4.9666 2.029884 6.897899 
1 1 1   13   10    3 o  294.374   16.063 10663.78  1112.37 10585.10  1572.41 10742.60  1573.86  286.882   23.416  289.190   23.244 -2.307861 32.99321 
1 1 1   13   10    4 o  152.881   8.0826  2794.97  290.750  3217.90  411.296  2372.50  411.069  163.310   10.725  139.521   12.613 23.78920 16.55681 
1 1 1   13   10    5 o  116.357   6.3308  1613.25  173.290  1787.30  245.032  1439.10  245.107  122.047   8.5564  109.211   9.6020 12.83527 12.86119 
1 1 1   13   10    6 o   15.981   1.6721   30.496   6.2164   32.700   8.7989   28.300   8.7839   16.473   2.3268   15.273   2.5237 1.199726 3.432687 
1 1 1   13   10    7 o   56.674   3.2108  381.078   42.793  429.100   60.596  333.300   60.441   60.043   4.3024   52.804   4.9033 7.238518 6.523254 
1 1 1   13   10    8 o  282.239   14.506  9754.11  963.506 11784.30  1363.54  7729.50  1361.67  306.517   18.931  243.741   23.968 62.77621 30.54287 
1 1 1   13   10    9 o  168.272   9.2104  3400.25  364.586  4017.20  515.438  2782.50  515.769  181.884   12.070  150.172   14.734 31.71161 19.04675 
1 1 1   13   10   10 o  152.246   8.0945  2774.83  289.958  3180.80  410.150  2369.20  409.976  162.201   10.770  139.257   12.604 22.94417 16.57862 
1 1 1   13   10   11 o   72.902   3.4247  628.782   58.955  814.100   83.699  446.300   83.056   82.794   4.2959   61.028   5.8345 21.76636 7.245452 
1 1 1   13   10   12 o   84.703   4.6957  852.976   93.553  955.100  132.288  750.800  132.321   89.409   6.3062   79.070   7.1647 10.33945 9.544688 
1 1 1   13   10   13 o  168.819   9.1164  3425.90  362.073  3754.70  512.006  3097.00  512.090  175.443   12.439  158.661   13.806 16.78191 18.58343 
1 1 1   13   10   14 o  181.417   9.6707  3966.48  412.789  4515.70  583.889  3417.70  583.656  192.095   12.948  165.959   15.057 26.13603 19.85866 
1 1 1   13   10   15 o   54.502   3.2255  352.683   41.326  386.500   58.416  318.800   58.473   56.937   4.3784   51.614   4.8547 5.323250 6.537446 
1 1 1   13   10   16 o  100.130   5.4881  1194.78  129.267  1210.80  182.637  1178.70  182.986  100.340   7.7687   98.964   7.8961 1.376625 11.07705 
1 1 1   13   10   17 o   19.051   1.6523   43.203   7.3597   52.300   10.525   34.500   10.295   20.924   2.1613   16.874   2.6728 4.050129 3.437299 
1 1 1   13   10   18 o  157.496   8.8203  2994.51  326.714  3422.60  461.661  2565.00  462.425  167.008   11.782  143.432   13.824 23.57559 18.16388 
1 1 1   13   10   19 o  166.016   9.2854  3341.71  362.548  3616.70  512.065  3065.30  513.380  170.764   12.792  156.363   14.054 14.40080 19.00403 
1 1 1   13   10   20 o  138.074   7.7861  2300.76  252.824  2624.30  357.184  1975.90  357.913  146.277   10.409  125.944   12.187 20.33305 16.02714 
1 1 1   13   10   21 o   42.134   2.6409  210.955   26.142  212.300   36.904  209.600   37.038   42.132   3.7485   41.855   3.7886 0.2766991 5.329596 
1 1 1   13   10   22 o   68.947   3.8249  566.407   62.028  642.500   87.775  490.500   87.668   73.195   5.1104   63.732   5.8921 9.463692 7.799561 
1 1 1   13   10   23 o   65.564   3.8164  512.880   58.831  537.100   82.978  488.400   83.422   66.782   5.3056   63.587   5.6135 3.194893 7.724028 
1 1 1   13   10   24 o   81.519   4.6789  797.033   89.690  858.400  126.602  735.200  127.081   84.041   6.4283   77.526   7.0179 6.515327 9.517026 
1 1 1   13   10   25 f  124.644   7.2267  1904.14  211.791  2172.70  299.134  1634.20  299.904  131.271   9.7192  112.378   11.462 18.89354 15.02803 
1 1 1   13   10   26 o   49.507   3.0516  292.505   35.501  320.700   50.113  264.100   50.299   51.621   4.1461   46.700   4.6218 4.920803 6.208971 
1 1 1   13   10   27 o   51.313   3.0796  314.566   37.142  342.800   52.513  286.300   52.542   53.313   4.2055   48.578   4.6367 4.734661 6.259809 
1 1 1   13   10   28 o   29.310   2.0914  102.376   14.379  113.200   20.358   91.600   20.313   30.714   2.8391   27.538   3.1823 3.175652 4.264701 
1 1 1   13   10   29 o   94.251   5.2499  1083.06  116.378  1064.90  164.167  1101.40  165.003   91.865   7.6371   93.512   7.5364 -1.647392 10.72954 
1 1 1   13   10   30 o   33.466   2.2787  133.652   17.900  138.600   25.308  128.700   25.320   33.912   3.1982   32.639   3.3320 1.273342 4.618567 
1 1 1   13   10   31 o   59.821   3.4908  430.586   49.097  428.000   69.240  433.200   69.628   59.061   5.0121   59.422   5.0089 -0.3611374 7.085890 
1 1 1   13   10   32 o   61.176   3.5963  451.686   51.724  484.600   73.108  418.700   73.188   62.766   4.9734   58.109   5.3953 4.656307 7.337853 
1 1 1   13   10   33 o   89.962   5.2380  1001.39  110.790  1050.00  156.376  952.400  156.988   90.107   7.4152   85.322   7.8809 4.784653 10.82099 
1 1 1   13   10   34 o   17.314   1.7145   35.941   6.9175   39.300   9.7954   32.600   9.7704   17.997   2.3620   16.309   2.6262 1.687893 3.532091 
1 1 1   13   10   35 o   76.068   4.3920  716.019   78.556  770.500  111.178  661.700  111.012   77.265   6.1443   71.013   6.6994 6.252266 9.090354 
1 1 1   13   10   36 o   24.432   1.9316   71.639   11.053   73.600   15.676   69.700   15.588   24.567   2.7493   23.880   2.8186 0.6870670 3.937458 
1 1 1   13   10   37 o   14.129   1.6172   24.064   5.2986   25.800   7.5738   22.400   7.4154   14.497   2.2884   13.457   2.4227 1.040427 3.332599 
1 1 1   13   10   38 o   61.169   5.4773  490.500   78.277  490.500   78.277   0.0000   0.0000   61.169   5.4773  ?   ?  0.000000 5.477314 
1 1 1   13   10   39 o   21.126   2.6834   54.900   13.085   54.900   13.085   0.0000   0.0000   21.126   2.6834  ?   ?  0.000000 2.683411 
1 1 1   13   10   40 o   38.883   3.7257  189.800   33.790  189.800   33.790   0.0000   0.0000   38.883   3.7257  ?   ?  0.000000 3.725731 
1 1 1   13   10   41 o   18.587   2.6039   42.700   11.115   42.700   11.115   0.0000   0.0000   18.587   2.6039  ?   ?  0.000000 2.603874 
1 1 1   13   10   42 o   38.435   3.7245  187.300   33.379  187.300   33.379   0.0000   0.0000   38.435   3.7245  ?   ?  0.000000 3.724544 
1 1 1   13   10   43 o   50.275   4.7430  337.100   55.643  337.100   55.643   0.0000   0.0000   50.275   4.7430  ?   ?  0.000000 4.743049 
1 1 1   13   10   44 o   10.754   2.4563   14.700   6.1010   14.700   6.1010   0.0000   0.0000   10.754   2.4563  ?   ?  0.000000 2.456343 
1 1 1   13   10   45 o   14.809   2.5647   27.800   8.6438   27.800   8.6438   0.0000   0.0000   14.809   2.5647  ?   ?  0.000000 2.564717 
1 1 1   13   10   46 o   37.739   3.8327  189.300   33.681  189.300   33.681   0.0000   0.0000   37.739   3.8327  ?   ?  0.000000 3.832659 
1 1 1   13   10   47 o   30.780   3.3278  123.400   23.803  123.400   23.803   0.0000   0.0000   30.780   3.3278  ?   ?  0.000000 3.327841 
1 1 1   13   10   48 o   28.094   3.1774  103.100   20.709  103.100   20.709   0.0000   0.0000   28.094   3.1774  ?   ?  0.000000 3.177404 
1 1 1   13   10   49 o   12.898   2.5357   21.700   7.4475   21.700   7.4475   0.0000   0.0000   12.898   2.5357  ?   ?  0.000000 2.535658 
1 1 1   13   10   50 o   6.3855   2.5248   3.6000   5.6374   3.6000   5.6374   0.0000   0.0000   6.3855   2.5248  ?   ?  0.000000 2.524792 
1 1 1   13   10   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   10   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   10   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   10   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11    0 o  210.645   16.514  5443.20  809.800  5443.20  809.800  5443.20  809.800  210.645   16.514  210.645   16.514 0.000000 0.000000 
1 1 1   13   11    1 o  170.491   8.7392  3481.67  350.651  3119.20  494.686  3847.70  497.113  159.865   13.223  178.197   11.882 -18.33179 17.77725 
1 1 1   13   11    2 o  148.222   7.9798  2627.27  278.267  2832.60  393.509  2421.90  393.550  153.081   10.959  141.185   11.916 11.89613 16.18883 
1 1 1   13   11    3 o   75.680   4.2316  680.262   75.318  699.200  106.483  661.300  106.549   76.514   5.9402   74.371   6.1215 2.142281 8.529840 
1 1 1   13   11    4 o  135.309   7.0546  2184.58  224.624  2568.80  317.839  1801.20  317.492  146.226   9.2526  121.829   11.160 24.39711 14.49695 
1 1 1   13   11    5 o  159.544   8.5189  3048.75  319.779  3442.50  452.297  2655.20  452.176  168.630   11.426  147.399   13.129 21.23100 17.40456 
1 1 1   13   11    6 o  143.221   7.6243  2451.55  256.923  2776.90  363.426  2126.50  363.263  151.752   10.201  132.235   11.756 19.51721 15.56510 
1 1 1   13   11    7 o  237.195   12.890  6843.32  719.289  7360.00  1017.11  6326.40  1017.35  242.802   17.865  223.915   19.434 18.88631 26.39773 
1 1 1   13   11    8 o   86.046   4.7072  880.003   95.281  991.600  134.776  768.500  134.719   91.127   6.3020   80.014   7.2075 11.11298 9.574117 
1 1 1   13   11    9 o  124.347   6.7116  1844.85  196.342  1840.40  277.542  1849.30  277.797  123.531   9.5898  123.834   9.5744 -0.3039551 13.55113 
1 1 1   13   11   10 o  219.112   11.783  5820.42  607.415  6456.20  859.099  5184.90  858.930  228.317   16.036  203.203   18.090 25.11432 24.17444 
1 1 1   13   11   11 o   97.340   5.3231  1127.61  121.891  1228.50  172.375  1026.70  172.386  101.283   7.2554   92.402   7.9788 8.881439 10.78437 
1 1 1   13   11   12 o  243.861   13.305  7267.96  763.239  7552.10  1079.17  6983.60  1079.60  244.512   18.836  234.381   19.689 10.13033 27.24771 
1 1 1   13   11   13 o  110.010   6.0553  1443.13  156.695  1577.80  221.492  1308.20  221.707  114.576   8.2416  104.062   9.1144 10.51453 12.28807 
1 1 1   13   11   14 o  107.225   5.7346  1370.25  144.673  1300.80  204.376  1440.00  204.822  103.903   8.4018  109.458   7.9793 -5.555046 11.58703 
1 1 1   13   11   15 o   71.345   3.9716  604.813   66.644  668.900   94.276  540.800   94.222   74.855   5.3693   67.165   6.0042 7.689857 8.054767 
1 1 1   13   11   16 o  232.634   12.423  6626.13  679.956  7688.40  961.907  5565.20  961.299  247.274   16.570  207.475   19.864 39.79872 25.86773 
1 1 1   13   11   17 f  169.270   9.0208  3459.05  359.267  3900.80  508.226  3017.80  507.936  178.224   12.149  155.688   13.965 22.53583 18.50952 
1 1 1   13   11   18 o   61.274   3.6366  446.405   52.383  522.600   74.006  369.900   74.156   66.161   4.7690   55.439   5.7481 10.72189 7.468859 
1 1 1   13   11   19 o   27.786   2.9293   92.400   18.931   92.400   18.931   0.0000   0.0000   27.786   2.9293  ?   ?  0.000000 2.929321 
1 1 1   13   11   20 o  139.326   7.6872  2345.09  251.930  2444.80  355.851  2244.90  356.716  140.747   10.789  134.538   11.334 6.208542 15.64812 
1 1 1   13   11   21 o  107.892   6.0625  1398.50  153.830  1501.30  217.233  1295.10  217.865  110.960   8.3521  102.719   9.0754 8.241600 12.33370 
1 1 1   13   11   22 f   44.260   2.7355  232.957   28.449  253.000   40.226  212.900   40.240   45.995   3.7360   42.108   4.0990 3.887375 5.546071 
1 1 1   13   11   23 o   62.408   3.4307  464.102   50.363  546.500   71.310  382.100   71.139   67.526   4.4979   56.199   5.4282 11.32680 7.049636 
1 1 1   13   11   24 o   75.874   4.3377  689.767   77.394  722.500  109.258  656.800  109.648   77.139   6.0465   73.408   6.3892 3.731056 8.796745 
1 1 1   13   11   25 o   63.461   3.7619  481.924   56.122  583.100   79.300  380.400   79.436   69.532   4.8604   55.708   6.1406 13.82309 7.831374 
1 1 1   13   11   26 o  114.157   6.4195  1594.46  172.346  1632.90  243.233  1555.70  244.239  113.521   9.1514  110.546   9.4472 2.975372 13.15288 
1 1 1   13   11   27 o   24.038   1.9257   68.896   10.839   68.600   15.233   69.200   15.426   23.865   2.7536   23.966   2.7773 -0.1013451 3.910940 
1 1 1   13   11   28 o   65.828   3.8210  520.906   59.139  579.700   83.595  462.000   83.674   68.958   5.1714   61.241   5.8576 7.716740 7.813732 
1 1 1   13   11   29 o   41.282   2.6071  203.541   25.285  202.300   35.626  204.800   35.891   40.914   3.7285   41.166   3.7327 -0.2527657 5.275883 
1 1 1   13   11   30 o   39.719   2.5605  188.522   23.887  194.500   33.720  182.500   33.843   40.116   3.5978   38.813   3.7388 1.302876 5.188745 
1 1 1   13   11   31 o   70.579   4.0709  603.036   67.558  613.400   95.378  592.600   95.705   70.308   5.7965   69.022   5.9296 1.286247 8.292137 
1 1 1   13   11   32 o   64.384   3.7399  501.400   56.614  501.300   79.965  501.500   80.164   63.581   5.3766   63.586   5.3897 -0.5565643E-02 7.612880 
1 1 1   13   11   33 o   31.627   2.1601  119.602   16.036  108.300   22.581  131.100   22.777   29.845   3.2571   32.945   2.9593 -3.100462 4.400739 
1 1 1   13   11   34 o   37.729   2.4666  170.892   21.854  169.100   30.835  172.700   30.978   37.203   3.5531   37.609   3.5295 -0.4054031 5.008240 
1 1 1   13   11   35 o   24.792   1.8674   73.598   10.852   87.900   15.459   59.700   15.239   26.980   2.4533   22.054   3.0044 4.925962 3.878761 
1 1 1   13   11   36 o   49.124   3.0690  293.672   35.422  331.400   50.046  255.800   50.142   51.580   4.1439   44.875   4.8067 6.704876 6.346387 
1 1 1   13   11   37 o   5.0601   1.4463   3.1153   1.8147   7.6000   2.7835  -0.2000   2.3932   7.8575   1.5552   3.6118   1.5537 4.245776 2.198351 
1 1 1   13   11   38 o   26.774   2.0296   86.350   12.737   85.700   18.015   87.000   18.009   26.390   2.9410   26.601   2.9148 -0.2111416 4.140703 
1 1 1   13   11   39 o   34.395   2.2134  142.818   17.881  166.900   25.358  119.000   25.218   36.896   2.9348   30.859   3.5239 6.036764 4.585995 
1 1 1   13   11   40 o   43.086   4.0304  235.000   40.530  235.000   40.530   0.0000   0.0000   43.086   4.0304  ?   ?  0.000000 4.030417 
1 1 1   13   11   41 o   19.488   2.6190   46.900   11.747   46.900   11.747   0.0000   0.0000   19.488   2.6190  ?   ?  0.000000 2.618991 
1 1 1   13   11   42 o   44.930   4.2512  261.400   44.567  261.400   44.567   0.0000   0.0000   44.930   4.2512  ?   ?  0.000000 4.251241 
1 1 1   13   11   43 o   16.636   2.5676   34.600   9.7618   34.600   9.7618   0.0000   0.0000   16.636   2.5676  ?   ?  0.000000 2.567595 
1 1 1   13   11   44 o   25.628   2.9549   82.800   17.554   82.800   17.554   0.0000   0.0000   25.628   2.9549  ?   ?  0.000000 2.954857 
1 1 1   13   11   45 o   10.834   2.4402   15.000   6.0926   15.000   6.0926   0.0000   0.0000   10.834   2.4402  ?   ?  0.000000 2.440153 
1 1 1   13   11   46 o   22.357   2.8154   63.600   14.534   63.600   14.534   0.0000   0.0000   22.357   2.8154  ?   ?  0.000000 2.815379 
1 1 1   13   11   47 o   14.642   2.5524   27.400   8.5045   27.400   8.5045   0.0000   0.0000   14.642   2.5524  ?   ?  0.000000 2.552422 
1 1 1   13   11   48 f   20.723   2.7851   55.300   13.284   55.300   13.284   0.0000   0.0000   20.723   2.7851  ?   ?  0.000000 2.785080 
1 1 1   13   11   49 o   16.989   2.9581   38.500   11.436   38.500   11.436   0.0000   0.0000   16.989   2.9581  ?   ?  0.000000 2.958059 
1 1 1   13   11   50 o   12.887   2.9099   23.000   8.6454   23.000   8.6454   0.0000   0.0000   12.887   2.9099  ?   ?  0.000000 2.909933 
1 1 1   13   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   11   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   12    0 o  219.203   17.163  5906.90  875.845  5906.90  875.845  5906.90  875.845  219.203   17.163  219.203   17.163 0.000000 0.000000 
1 1 1   13   12    1 o   72.544   4.0974  624.990   69.903  633.100   98.618  616.800   99.099   72.806   5.7839   71.841   5.8935 0.9650497 8.257568 
1 1 1   13   12    2 o  169.046   9.2768  3430.56  368.893  3649.60  520.970  3210.30  522.420  173.095   12.837  161.898   13.797 11.19673 18.84538 
1 1 1   13   12    3 o   92.923   5.0899  1026.79  111.261  1041.00  157.383  1012.60  157.310   93.236   7.2044   91.929   7.3070 1.306488 10.26137 
1 1 1   13   12    4 o  113.817   6.1296  1543.25  164.134  1739.60  232.150  1347.00  232.091  120.451   8.2109  105.652   9.4011 14.79919 12.48202 
1 1 1   13   12    5 o   86.626   4.3879  891.051   89.463  1116.60  126.689  666.700  126.352   96.845   5.5632   74.475   7.2777 22.36937 9.160502 
1 1 1   13   12    6 o  121.636   6.5772  1764.46  188.213  1911.20  266.166  1617.70  266.180  126.075   8.9997  115.728   9.8335 10.34612 13.33007 
1 1 1   13   12    7 o  129.593   6.9553  2004.66  212.064  2406.10  299.938  1603.40  299.871  141.511   9.0230  114.815   11.203 26.69592 14.38493 
1 1 1   13   12    8 o   58.848   3.2626  410.882   45.160  493.700   63.931  328.400   63.801   64.429   4.2255   52.360   5.2302 12.06902 6.723789 
1 1 1   13   12    9 o  186.663   9.8002  4193.23  430.460  4900.60  608.988  3486.90  608.537  200.464   12.934  167.750   15.539 32.71445 20.21756 
1 1 1   13   12   10 o  171.810   9.1668  3546.66  370.556  3834.30  524.177  3259.30  523.913  177.323   12.601  162.922   13.746 14.40050 18.64775 
1 1 1   13   12   11 o  163.760   8.8184  3220.16  339.748  3244.40  480.373  3195.90  480.580  162.984   12.579  161.708   12.687 1.275452 17.86614 
1 1 1   13   12   12 o   14.466   1.6394   25.038   5.5012   28.700   7.7932   21.400   7.7665   15.429   2.2015   13.228   2.5791 2.200851 3.390875 
1 1 1   13   12   13 o  122.682   6.6667  1797.95  192.405  1840.90  271.954  1754.90  272.250  123.443   9.4004  120.434   9.6544 3.008934 13.47491 
1 1 1   13   12   14 o  179.185   9.6748  3874.71  407.845  4180.20  576.773  3569.20  576.786  184.374   13.338  169.661   14.537 14.71342 19.72892 
1 1 1   13   12   15 o  146.650   7.6445  2578.34  263.808  3018.70  373.278  2138.90  372.885  157.860   10.066  132.000   12.098 25.86002 15.73789 
1 1 1   13   12   16 o  102.001   5.5529  1241.03  133.243  1226.30  188.309  1255.80  188.560  100.851   7.9723  102.087   7.8830 -1.235855 11.21158 
1 1 1   13   12   17 o   75.861   4.2615  684.777   76.029  690.300  107.263  679.200  107.782   75.873   6.0368   75.241   6.1194 0.6323624 8.595900 
1 1 1   13   12   18 o  101.294   5.4614  1225.31  130.149  1186.00  183.609  1265.00  184.510   99.035   7.9175  102.367   7.6892 -3.331635 11.03681 
1 1 1   13   12   19 o  126.876   7.0384  1936.97  210.043  2157.40  296.861  1716.00  297.232  132.913   9.5216  117.898   10.796 15.01450 14.39521 
1 1 1   13   12   20 o   52.859   3.1232  332.241   38.811  328.200   54.822  336.300   54.951   52.340   4.4789   52.994   4.4320 -0.6544800 6.300998 
1 1 1   13   12   21 o   36.281   2.4233  156.492   20.641  169.200   29.143  143.700   29.239   37.624   3.3141   34.602   3.6327 3.021465 4.917317 
1 1 1   13   12   22 f   62.943   3.5601  472.190   52.697  526.700   74.566  417.800   74.484   66.244   4.7994   58.818   5.4238 7.425583 7.242415 
1 1 1   13   12   23 o   12.623   1.6344   19.157   4.7575   18.800   6.7918   19.500   6.6663   12.388   2.4086   12.634   2.3199 -0.2469263 3.344156 
1 1 1   13   12   24 o   58.403   3.3908  407.144   46.562  398.600   65.826  415.700   65.871   57.447   4.8994   58.702   4.7939 -1.255444 6.854606 
1 1 1   13   12   25 o   32.425   2.1829  125.135   16.616  116.900   23.407  133.500   23.592   31.181   3.2257   33.377   3.0262 -2.195511 4.422971 
1 1 1   13   12   26 o   48.620   2.9568  282.220   33.785  340.500   47.772  223.900   47.788   53.234   3.8258   42.871   4.8031 10.36367 6.140569 
1 1 1   13   12   27 o   1.6306   0.7639  -0.7638   0.7387  -4.3000   1.1270   1.9000   0.9781  ?   ?    3.9390   1.0373 0.000000 1.037278 
1 1 1   13   12   28 o   30.019   2.1422  107.447   15.085  107.100   21.243  107.800   21.426   29.819   3.0603   29.914   3.0772 -0.9490585E-01 4.339824 
1 1 1   13   12   29 o   25.797   1.9727   79.382   11.926   77.400   16.790   81.400   16.943   25.328   2.8572   25.992   2.8049 -0.6637897 4.003912 
1 1 1   13   12   30 o   20.712   1.8243   51.255   8.8315   53.600   12.477   48.900   12.502   21.068   2.5606   20.082   2.7053 0.9857655 3.724947 
1 1 1   13   12   31 o   32.044   2.2502  122.688   16.919  133.000   23.883  112.300   23.970   33.205   3.0811   30.415   3.3954 2.789629 4.584964 
1 1 1   13   12   32 o   39.494   2.5415  186.787   23.576  185.600   33.169  188.000   33.518   39.084   3.6356   39.334   3.6503 -0.2496262 5.151900 
1 1 1   13   12   33 o   24.103   1.9432   69.513   10.966   74.500   15.487   64.500   15.528   24.813   2.6861   23.014   2.9233 1.799055 3.969943 
1 1 1   13   12   34 o   25.786   1.9993   79.663   12.079   82.200   17.039   77.100   17.125   26.013   2.8190   25.153   2.9385 0.8597298 4.072074 
1 1 1   13   12   35 o   17.393   1.7459   36.355   7.0740   41.300   9.9990   31.400   10.009   18.427   2.3516   15.934   2.7602 2.493008 3.626059 
1 1 1   13   12   36 o   7.9262   1.6562   7.7537   3.0000   6.3000   4.1787   9.3000   4.3096   7.2482   2.2267   8.6481   2.1254 -1.399811 3.078226 
1 1 1   13   12   37 o   33.305   2.3133  133.927   18.080  146.100   25.541  121.700   25.598   34.467   3.1738   31.285   3.5265 3.181679 4.744366 
1 1 1   13   12   38 o   52.064   3.2384  333.335   39.616  363.300   55.946  303.200   56.105   53.417   4.4766   48.357   4.9848 5.060101 6.699910 
1 1 1   13   12   39 o   32.818   2.1801  130.016   16.799  153.000   23.827  107.300   23.687   35.334   2.8807   29.292   3.4935 6.042761 4.528051 
1 1 1   13   12   40 f   43.374   2.5898  228.936   26.404  276.500   37.445  181.900   37.237   47.200   3.3821   37.696   4.2579 9.503490 5.437668 
1 1 1   13   12   41 o   22.977   1.8785   63.712   10.103   66.300   14.397   61.200   14.182   23.191   2.6781   22.242   2.7596 0.9495373 3.845525 
1 1 1   13   12   42 o   21.552   2.7064   57.700   13.469   57.700   13.469   0.0000   0.0000   21.552   2.7064  ?   ?  0.000000 2.706370 
1 1 1   13   12   43 o   11.692   2.4618   17.300   6.5820   17.300   6.5820   0.0000   0.0000   11.692   2.4618  ?   ?  0.000000 2.461846 
1 1 1   13   12   44 o   29.250   3.1708  108.900   21.550  108.900   21.550   0.0000   0.0000   29.250   3.1708  ?   ?  0.000000 3.170795 
1 1 1   13   12   45 o   13.627   2.5024   23.600   7.7553   23.600   7.7553   0.0000   0.0000   13.627   2.5024  ?   ?  0.000000 2.502402 
1 1 1   13   12   46 o   27.065   3.0765   94.100   19.313   94.100   19.313   0.0000   0.0000   27.065   3.0765  ?   ?  0.000000 3.076532 
1 1 1   13   12   47 o   5.2379   1.9597   2.6000   3.2668   2.6000   3.2668   0.0000   0.0000   5.2379   1.9597  ?   ?  0.000000 1.959733 
1 1 1   13   12   48 o   6.4948   2.1756   5.0000   3.9289   5.0000   3.9289   0.0000   0.0000   6.4948   2.1756  ?   ?  0.000000 2.175641 
1 1 1   13   12   49 o   6.1675   2.4032   3.4000   5.0439   3.4000   5.0439   0.0000   0.0000   6.1675   2.4032  ?   ?  0.000000 2.403236 
1 1 1   13   12   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   12   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   12   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   12   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   13    0 o  102.081   8.0665  1259.60  191.650  1259.60  191.650  1259.60  191.650  102.081   8.0665  102.081   8.0665 0.000000 0.000000 
1 1 1   13   13    1 o   71.870   3.4857  611.076   59.157  812.900   83.896  411.500   83.427   82.739   4.3090   58.543   6.1256 24.19580 7.489370 
1 1 1   13   13    2 o  134.007   7.2544  2144.70  228.702  2160.90  322.893  2128.40  323.977  133.745   10.303  132.695   10.423 1.050400 14.65622 
1 1 1   13   13    3 o   73.469   4.0772  640.999   70.456  622.500   99.372  659.700   99.911   72.169   5.8823   74.329   5.7367 -2.160004 8.216514 
1 1 1   13   13    4 o  160.296   8.2375  3075.93  310.751  3509.10  439.934  2644.60  439.003  170.352   10.995  147.167   12.759 23.18517 16.84290 
1 1 1   13   13    5 o  140.821   6.7371  2359.25  224.030  2947.70  317.395  1775.00  316.261  156.805   8.6048  120.856   11.210 35.94910 14.13137 
1 1 1   13   13    6 o   79.185   4.0104  744.229   74.743  873.300  106.042  616.800  105.366   85.642   5.2692   71.769   6.2805 13.87289 8.198097 
1 1 1   13   13    7 o  130.061   7.0244  2019.86  214.933  2218.60  303.949  1821.10  303.973  135.702   9.5462  122.584   10.606 13.11824 14.26921 
1 1 1   13   13    8 o   29.722   2.2329  104.979   15.557  125.500   21.907   84.100   22.097   32.451   2.8890   26.412   3.6396 6.039467 4.646872 
1 1 1   13   13    9 o  192.934   9.5103  4466.00  433.274  5607.20  613.307  3329.00  612.177  214.795   12.142  163.508   16.063 51.28630 20.13519 
1 1 1   13   13   10 o  115.213   6.2420  1583.00  169.186  1656.20  239.266  1509.80  239.266  117.315   8.6990  111.871   9.1371 5.444183 12.61584 
1 1 1   13   13   11 o   77.667   4.3257  716.953   79.019  723.100  111.724  710.800  111.777   77.743   6.1358   77.065   6.1947 0.6778107 8.719017 
1 1 1   13   13   12 o   92.048   4.9906  1008.28  108.070  1116.90  152.885  899.800  152.783   96.593   6.7452   86.486   7.5570 10.10645 10.12941 
1 1 1   13   13   13 o   71.708   3.9732  610.932   67.015  678.500   94.821  543.500   94.726   75.397   5.3608   67.334   6.0211 8.063126 8.061755 
1 1 1   13   13   14 o   57.191   3.2901  388.358   44.245  442.600   62.597  334.200   62.548   60.944   4.3789   52.816   5.0778 8.128456 6.705102 
1 1 1   13   13   15 o  169.263   9.1947  3459.63  366.125  3722.40  517.699  3196.70  517.859  173.873   12.697  160.466   13.801 13.40680 18.75317 
1 1 1   13   13   16 o  242.686   13.472  7293.45  769.032  7613.20  1087.14  6973.20  1088.01  242.341   19.154  230.781   20.168 11.55966 27.81355 
1 1 1   13   13   17 o  123.455   6.7919  1828.12  197.239  1896.60  278.596  1759.30  279.281  124.826   9.5235  120.035   9.9425 4.790375 13.76778 
1 1 1   13   13   18 o  121.690   6.5848  1777.23  188.514  1752.80  265.957  1801.90  267.246  119.817   9.4774  121.531   9.3851 -1.713753 13.33796 
1 1 1   13   13   19 o  115.356   6.3949  1598.94  173.514  1669.20  245.050  1528.30  245.724  116.916   8.9439  111.648   9.4081 5.268089 12.98095 
1 1 1   13   13   20 o  117.073   6.4962  1650.83  178.885  1936.50  252.900  1364.80  253.063  125.941   8.5546  104.806   10.361 21.13520 13.43626 
1 1 1   13   13   21 o   30.249   2.0273  108.728   14.397  133.900   20.410   83.800   20.311   33.523   2.5987   26.365   3.3372 7.157501 4.229643 
1 1 1   13   13   22 o  113.035   6.1294  1543.78  162.991  1750.20  230.570  1337.60  230.439  119.306   8.2346  103.522   9.5339 15.78426 12.59778 
1 1 1   13   13   23 o   37.812   2.4124  170.108   21.428  188.800   30.337  151.500   30.269   39.725   3.2629   35.488   3.6648 4.236961 4.906916 
1 1 1   13   13   24 o   97.872   5.3718  1157.53  123.673  1313.80  174.941  1001.40  174.858  103.359   7.2130   89.551   8.3659 13.80733 11.04605 
1 1 1   13   13   25 o   46.186   2.7307  254.245   29.649  294.700   41.985  214.000   41.876   49.571   3.6116   42.056   4.2762 7.515541 5.597275 
1 1 1   13   13   26 o   56.284   3.2968  379.045   43.625  391.000   61.707  367.100   61.683   56.804   4.6409   54.980   4.7992 1.823963 6.676118 
1 1 1   13   13   27 o   60.344   3.6029  437.050   51.105  467.300   72.096  406.500   72.453   61.960   4.9694   57.609   5.3886 4.350979 7.330201 
1 1 1   13   13   28 f   24.273   1.9109   70.273   10.864   66.300   15.313   74.300   15.417   23.429   2.8249   24.848   2.6692 -1.419697 3.886514 
1 1 1   13   13   29 o   26.439   2.0201   83.417   12.517   98.000   17.691   68.800   17.712   28.570   2.6526   23.779   3.2385 4.790344 4.186192 
1 1 1   13   13   30 o   9.9928   1.7013   12.162   3.8706   16.000   5.4652   8.3000   5.4827   11.430   2.1022   8.3400   2.5486 3.090436 3.303763 
1 1 1   13   13   31 o   44.405   2.7961  236.403   29.169  243.400   41.097  229.300   41.407   44.734   3.9305   43.355   4.0929 1.378323 5.674554 
1 1 1   13   13   32 o   17.103   1.7418   35.068   6.9365   37.000   9.7651   33.100   9.8550   17.453   2.4359   16.452   2.6250 1.000875 3.581076 
1 1 1   13   13   33 o   69.221   3.8870  584.446   63.277  538.400   89.243  631.000   89.733   65.117   5.8669   70.899   5.4004 -5.781776 7.973999 
1 1 1   13   13   34 o   26.116   2.0246   81.778   12.388   87.200   17.474   76.300   17.565   26.792   2.8035   24.980   3.0405 1.812786 4.135718 
1 1 1   13   13   35 o   29.419   2.1203  103.973   14.631   98.700   20.639  109.300   20.744   28.372   3.1329   29.925   2.9750 -1.552927 4.320343 
1 1 1   13   13   36 o   31.884   2.2481  122.473   16.817  145.200   23.771   99.700   23.796   34.493   2.9468   28.279   3.6485 6.213614 4.689857 
1 1 1   13   13   37 o   22.709   1.9137   62.075   10.166   66.100   14.334   58.000   14.421   23.240   2.6599   21.681   2.8887 1.558680 3.926780 
1 1 1   13   13   38 o   23.658   1.9015   67.372   10.533   76.700   14.918   58.100   14.873   25.068   2.5559   21.647   2.9894 3.420866 3.933082 
1 1 1   13   13   39 o   37.744   2.3536  172.467   20.873  232.100   29.576  113.300   29.461   43.543   2.8930   29.664   4.3336 13.87815 5.210484 
1 1 1   13   13   40 o   27.262   2.0039   89.673   12.810  103.700   18.166   75.800   18.066   29.095   2.6741   24.648   3.1779 4.446581 4.153270 
1 1 1   13   13   41 o   12.497   1.6387   18.977   4.7194   24.100   6.7228   14.000   6.6266   13.999   2.0983   10.517   2.6650 3.482087 3.391906 
1 1 1   13   13   42 o   39.126   2.5355  187.650   23.300  206.000   32.995  169.400   32.906   40.349   3.4976   36.272   3.9034 4.077602 5.241123 
1 1 1   13   13   43 o   24.452   2.8717   75.000   16.266   75.000   16.266   0.0000   0.0000   24.452   2.8717  ?   ?  0.000000 2.871730 
1 1 1   13   13   44 o   3.4681   1.4788   0.0000   2.1340   0.0000   2.1340   0.0000   0.0000   3.4681   1.4788  ?   ?  0.000000 1.478837 
1 1 1   13   13   45 o   3.5721   1.5243   0.0000   2.2702   0.0000   2.2702   0.0000   0.0000   3.5721   1.5243  ?   ?  0.000000 1.524286 
1 1 1   13   13   46 o   16.768   2.5871   35.700   9.9141   35.700   9.9141   0.0000   0.0000   16.768   2.5871  ?   ?  0.000000 2.587077 
1 1 1   13   13   47 f   27.467   3.1199   98.000   19.877   98.000   19.877   0.0000   0.0000   27.467   3.1199  ?   ?  0.000000 3.119874 
1 1 1   13   13   48 o   14.341   2.6445   26.800   8.6254   26.800   8.6254   0.0000   0.0000   14.341   2.6445  ?   ?  0.000000 2.644467 
1 1 1   13   13   49 o   7.6483   2.4318   7.5000   4.9401   7.5000   4.9401   0.0000   0.0000   7.6483   2.4318  ?   ?  0.000000 2.431811 
1 1 1   13   13   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   13   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   13   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14    0 o   62.026   5.1663  464.600   74.461  464.600   74.461  464.600   74.461   62.026   5.1663   62.026   5.1663 0.000000 0.000000 
1 1 1   13   14    1 o  347.607   19.094 15177.14  1561.25 13715.40  2206.99 16641.40  2208.89  317.155   29.819  354.297   26.597 -37.14212 39.95697 
1 1 1   13   14    2 o   67.987   3.7625  548.701   60.169  631.700   85.143  465.900   85.041   72.826   4.9810   62.370   5.8423 10.45600 7.677436 
1 1 1   13   14    3 o  218.249   11.763  5771.08  603.986  6015.70  854.295  5526.60  854.036  220.137   16.556  210.458   17.339 9.679443 23.97372 
1 1 1   13   14    4 o  127.718   6.1992  1938.51  186.961  2371.30  264.876  1508.80  263.932  140.732   8.0036  111.641   10.122 29.09179 12.90376 
1 1 1   13   14    5 o   59.154   3.4178  415.348   47.538  432.300   67.233  398.400   67.224   60.206   4.7681   57.755   4.9778 2.451313 6.892979 
1 1 1   13   14    6 o  104.905   4.8981  1304.75  121.336  1665.80  172.050  947.500  171.143  118.230   6.1841   88.687   8.2675 29.54316 10.32444 
1 1 1   13   14    7 o  147.917   7.1573  2606.75  249.993  3146.50  354.286  2071.50  352.805  161.751   9.3150  130.440   11.574 31.31123 14.85720 
1 1 1   13   14    8 o  185.205   10.459  4142.38  455.538  4643.10  643.346  3638.90  645.114  194.374   14.113  170.898   16.178 23.47603 21.46898 
1 1 1   13   14    9 o   71.051   3.8156  599.360   63.782  700.800   90.309  498.400   90.095   76.701   5.0137   64.485   5.9849 12.21632 7.807490 
1 1 1   13   14   10 o  154.039   7.8695  2842.22  285.292  3421.30  403.754  2264.80  403.174  168.246   10.211  135.851   12.716 32.39531 16.30830 
1 1 1   13   14   11 o   80.300   4.4438  766.633   83.933  832.400  118.715  700.900  118.684   83.442   6.0665   76.430   6.6421 7.012421 8.995589 
1 1 1   13   14   12 o   79.296   4.3745  747.565   81.595  839.500  115.415  655.700  115.371   83.825   5.8678   73.890   6.6847 9.935638 8.894675 
1 1 1   13   14   13 o   19.593   1.7606   45.721   8.0584   39.200   11.371   52.300   11.422   17.999   2.7638   20.902   2.3552 -2.903376 3.631135 
1 1 1   13   14   14 o  242.709   13.112  7255.09  748.668  8133.60  1059.08  6377.60  1058.47  252.645   17.868  221.047   20.512 31.59877 27.20290 
1 1 1   13   14   15 o  292.386   16.425 10807.77  1129.44 11522.40  1597.25 10093.10  1597.29  292.385   23.328  270.717   25.279 21.66766 34.39832 
1 1 1   13   14   16 o   59.305   3.4866  418.086   48.611  449.100   68.652  386.900   68.842   61.298   4.7807   56.801   5.1899 4.496830 7.056252 
1 1 1   13   14   17 o   58.640   3.4285  408.841   47.268  425.600   66.766  392.000   66.928   59.641   4.7809   57.186   5.0067 2.455582 6.922753 
1 1 1   13   14   18 o  143.719   7.9976  2500.63  270.340  2623.10  381.732  2377.40  382.908  145.511   11.196  138.099   11.857 7.411667 16.30733 
1 1 1   13   14   19 o   53.500   3.2285  340.555   40.596  371.300   57.314  309.600   57.510   55.697   4.3935   50.746   4.8587 4.951496 6.550520 
1 1 1   13   14   20 f  105.882   5.8952  1348.51  146.812  1540.30  207.537  1156.40  207.709  112.396   7.8692   96.736   9.2039 15.65992 12.10930 
1 1 1   13   14   21 o   99.490   5.6489  1191.78  132.164  1337.50  186.732  1045.50  187.084  104.610   7.6115   91.927   8.7229 12.68229 11.57692 
1 1 1   13   14   22 o   78.083   4.3327  730.097   79.575  827.800  112.566  632.500  112.505   82.715   5.7999   71.948   6.6991 10.76709 8.860914 
1 1 1   13   14   23 o  125.391   6.9058  1922.21  203.687  2108.30  288.091  1736.20  288.023  129.410   9.4938  116.507   10.585 12.90289 14.21861 
1 1 1   13   14   24 o   39.430   2.3811  185.026   22.066  224.300   31.277  146.100   31.137   43.322   3.0774   34.773   3.8570 8.549049 4.934256 
1 1 1   13   14   25 o   82.865   4.3985  826.680   85.760  981.100  121.429  673.000  121.137   89.691   5.7639   73.617   7.0549 16.07388 9.110092 
1 1 1   13   14   26 o   19.741   1.6042   46.431   7.4138   59.500   10.575   33.800   10.396   22.313   2.0292   16.645   2.7404 5.668043 3.409939 
1 1 1   13   14   27 o   34.155   2.1475  138.940   17.232  164.600   24.447  113.600   24.293   37.080   2.8130   30.649   3.4147 6.431055 4.424180 
1 1 1   13   14   28 o   35.512   2.3904  150.535   19.928  154.000   28.043  147.000   28.324   35.732   3.3632   34.876   3.4860 0.8561249 4.843848 
1 1 1   13   14   29 o   47.499   2.8799  270.099   32.149  264.400   45.266  275.900   45.668   46.648   4.1528   47.677   4.0962 -1.028801 5.833067 
1 1 1   13   14   30 o   29.135   2.1325  101.382   14.569  105.300   20.520   97.400   20.689   29.538   2.9829   28.362   3.1420 1.175585 4.332377 
1 1 1   13   14   31 o   17.695   1.7965   37.532   7.4026   48.100   10.429   26.800   10.509   19.982   2.2493   14.685   3.1266 5.297771 3.851637 
1 1 1   13   14   32 o   27.211   2.0957   88.633   13.363  100.700   18.833   76.400   18.962   28.869   2.7978   24.989   3.2938 3.880257 4.321628 
1 1 1   13   14   33 o   35.120   2.3011  147.888   18.978  135.800   26.717  160.200   26.963   33.329   3.4444   36.314   3.1762 -2.985828 4.685330 
1 1 1   13   14   34 o   27.469   2.0393   90.508   13.133   86.900   18.467   94.200   18.682   26.676   2.9828   27.814   2.8864 -1.138128 4.150701 
1 1 1   13   14   35 o   49.734   3.1123  301.198   36.366  319.900   51.296  282.300   51.564   50.552   4.3392   47.249   4.6833 3.302540 6.384553 
1 1 1   13   14   36 o   51.108   3.0898  318.976   37.114  305.500   52.345  332.600   52.631   49.064   4.5706   51.349   4.3825 -2.285011 6.332189 
1 1 1   13   14   37 o   53.462   3.3283  351.961   41.810  387.200   59.036  316.500   59.220   55.098   4.5790   49.294   5.1643 5.803875 6.901988 
1 1 1   13   14   38 o   15.429   1.7111   28.750   6.1291   36.300   8.6679   21.200   8.6679   17.254   2.1759   12.955   2.9050 4.298442 3.629556 
1 1 1   13   14   39 o   19.952   1.8062   47.980   8.4176   43.000   11.880   53.000   11.928   18.615   2.7886   20.801   2.4772 -2.186279 3.729976 
1 1 1   13   14   40 o   26.220   2.0053   83.007   12.322   94.200   17.459   71.900   17.392   27.702   2.7034   24.003   3.1440 3.698877 4.146496 
1 1 1   13   14   41 o   13.045   1.6307   20.657   4.9133   25.200   7.0222   16.300   6.8770   14.301   2.1456   11.344   2.6201 2.956992 3.386489 
1 1 1   13   14   42 o   16.059   1.6926   31.266   6.3221   38.400   8.9947   24.300   8.8878   17.669   2.2037   13.814   2.8201 3.855312 3.579020 
1 1 1   13   14   43 o   32.993   3.4077  139.100   26.167  139.100   26.167   0.0000   0.0000   32.993   3.4077  ?   ?  0.000000 3.407686 
1 1 1   13   14   44 o   24.782   2.9289   77.900   16.808   77.900   16.808   0.0000   0.0000   24.782   2.9289  ?   ?  0.000000 2.928888 
1 1 1   13   14   45 o   14.276   2.5123   25.900   8.1599   25.900   8.1599   0.0000   0.0000   14.276   2.5123  ?   ?  0.000000 2.512325 
1 1 1   13   14   46 o   6.5098   2.1598   5.0000   3.8740   5.0000   3.8740   0.0000   0.0000   6.5098   2.1598  ?   ?  0.000000 2.159835 
1 1 1   13   14   47 o   25.240   3.0050   82.500   17.558   82.500   17.558   0.0000   0.0000   25.240   3.0050  ?   ?  0.000000 3.005038 
1 1 1   13   14   48 o   10.572   2.7705   14.900   6.9997   14.900   6.9997   0.0000   0.0000   10.572   2.7705  ?   ?  0.000000 2.770466 
1 1 1   13   14   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   14   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   15    0 o   32.821   3.2937  131.100   24.937  131.100   24.937  131.100   24.937   32.821   3.2937   32.821   3.2937 0.000000 0.000000 
1 1 1   13   15    1 o   59.147   3.3607  415.174   46.744  456.300   66.168  374.200   66.045   61.890   4.5597   55.949   5.0536 5.940907 6.806563 
1 1 1   13   15    2 o  273.073   14.901  9165.82  957.205  9380.60  1353.94  8951.20  1353.45  270.761   21.350  263.921   21.916 6.839874 30.59565 
1 1 1   13   15    3 o  120.367   6.5131  1728.15  184.431  1677.10  260.819  1779.20  260.831  117.908   9.4470  121.543   9.1552 -3.634407 13.15537 
1 1 1   13   15    4 o   41.976   2.6141  209.088   25.782  217.700   36.486  200.500   36.436   42.735   3.6507   40.981   3.8088 1.753738 5.275802 
1 1 1   13   15    5 o  142.790   7.7291  2439.82  259.638  2898.10  367.155  1981.40  367.211  154.960   10.089  127.267   12.376 27.69331 15.96684 
1 1 1   13   15    6 o  217.736   11.436  5744.85  585.923  7029.20  829.073  4463.30  828.168  238.913   14.768  187.645   18.950 51.26765 24.02499 
1 1 1   13   15    7 o  197.809   10.090  4718.72  469.732  5558.70  664.988  3882.20  663.617  213.144   13.278  176.504   16.099 36.63960 20.86861 
1 1 1   13   15    8 o  159.292   7.5345  3028.38  283.409  3790.20  401.613  2272.70  399.992  177.358   9.6255  136.169   12.582 41.18933 15.84169 
1 1 1   13   15    9 o  130.853   6.2559  2037.26  193.303  2552.30  273.983  1526.80  272.763  145.901   7.9827  112.065   10.427 33.83551 13.13197 
1 1 1   13   15   10 o   69.317   3.8499  570.730   62.767  616.000   88.834  525.600   88.697   71.840   5.2735   66.260   5.7251 5.579735 7.783753 
1 1 1   13   15   11 o  107.048   5.7759  1366.29  145.462  1527.70  205.754  1205.00  205.675  112.783   7.7732   99.848   8.8137 12.93483 11.75181 
1 1 1   13   15   12 o   88.811   4.6884  938.395   97.975  1118.60  138.656  758.700  138.460   96.747   6.1005   79.330   7.4797 17.41761 9.652034 
1 1 1   13   15   13 o   28.047   2.0235   93.451   13.312   99.000   18.910   88.000   18.742   28.793   2.8174   27.110   2.9766 1.682518 4.098513 
1 1 1   13   15   14 o  166.943   8.6669  3361.82  340.486  4012.40  481.808  2712.80  481.231  181.099   11.324  147.392   13.994 33.70703 18.00188 
1 1 1   13   15   15 o   65.213   3.7076  505.643   56.857  499.300   80.366  512.000   80.451   64.563   5.3187   65.395   5.2542 -0.8325500 7.476322 
1 1 1   13   15   16 o  105.100   5.9089  1322.20  146.052  1460.10  206.328  1183.70  206.770  109.853   8.0092   98.535   8.9854 11.31800 12.03680 
1 1 1   13   15   17 o  111.981   6.2923  1505.44  165.711  1640.50  234.061  1369.70  234.643  116.100   8.5987  105.676   9.5047 10.42365 12.81705 
1 1 1   13   15   18 o   58.700   3.3710  409.949   46.530  399.700   65.641  420.300   65.967   57.720   4.8612   59.219   4.7576 -1.498184 6.801909 
1 1 1   13   15   19 o   99.603   5.5674  1190.92  130.420  1247.60  184.160  1133.90  184.725  101.180   7.7672   96.258   8.2053 4.921989 11.29850 
1 1 1   13   15   20 o   34.484   2.3333  141.427   18.888  161.100   26.693  121.700   26.731   36.720   3.1077   31.798   3.6247 4.921545 4.774535 
1 1 1   13   15   21 o  145.341   8.1712  2597.48  279.301  2975.40  394.845  2219.00  395.137  153.178   10.989  130.407   13.005 22.77040 17.02634 
1 1 1   13   15   22 o   43.752   2.6797  227.923   27.552  247.700   38.991  208.200   38.937   45.459   3.6634   41.586   4.0151 3.873890 5.435210 
1 1 1   13   15   23 o   56.177   3.2788  376.785   43.306  392.200   61.274  361.400   61.214   57.021   4.5896   54.669   4.7901 2.351559 6.634005 
1 1 1   13   15   24 o   77.177   4.3234  716.320   78.473  783.800  111.003  648.900  110.953   80.122   5.9088   72.589   6.5434 7.532646 8.816408 
1 1 1   13   15   25 o   44.578   2.7366  237.138   28.667  255.700   40.555  218.600   40.529   46.086   3.7593   42.510   4.0878 3.575294 5.553648 
1 1 1   13   15   26 o   59.044   3.1338  416.836   43.536  513.300   61.702  321.200   61.437   65.284   4.0221   51.238   5.1474 14.04654 6.532486 
1 1 1   13   15   27 o   54.864   3.2260  360.687   41.611  383.700   58.863  337.700   58.830   56.223   4.4707   52.617   4.7873 3.605556 6.550178 
1 1 1   13   15   28 o   66.112   3.4965  525.060   54.391  645.200   77.046  405.700   76.795   72.911   4.4970   57.231   5.7609 15.67990 7.308249 
1 1 1   13   15   29 o   29.934   2.1649  106.986   15.200  126.000   21.475   87.900   21.516   32.378   2.8375   26.863   3.4732 5.515549 4.484913 
1 1 1   13   15   30 o   43.821   2.6752  229.939   27.550  218.200   38.699  242.000   39.228   42.346   3.9144   44.664   3.7542 -2.318031 5.423724 
1 1 1   13   15   31 o   6.4014   1.7846   5.0027   2.7989   11.000   3.8527  -1.7000   4.0730   9.4738   1.7877   4.3570   1.9447 5.116792 2.641527 
1 1 1   13   15   32 o   26.638   2.0174   84.920   12.595   83.300   17.651   86.600   17.979   26.193   2.9026   26.714   2.8964 -0.5211830 4.100558 
1 1 1   13   15   33 o   23.893   1.9559   68.440   10.938   74.400   15.418   62.400   15.521   24.761   2.6797   22.575   2.9847 2.186033 4.011157 
1 1 1   13   15   34 o   40.884   2.6151  201.778   25.114  216.600   35.543  187.000   35.490   41.952   3.6235   38.822   3.9253 3.129902 5.342066 
1 1 1   13   15   35 o   54.944   3.3864  369.968   43.721  398.400   61.704  341.300   61.960   56.094   4.7017   51.544   5.1600 4.550522 6.980809 
1 1 1   13   15   36 o   41.657   2.6549  210.507   25.979  206.700   36.535  214.400   36.949   40.689   3.8482   41.463   3.8167 -0.7742462 5.419929 
1 1 1   13   15   37 o   30.813   2.2072  114.616   15.954  118.000   22.508  111.200   22.616   30.935   3.1241   29.971   3.2475 0.9638176 4.506282 
1 1 1   13   15   38 o   22.077   1.8665   58.712   9.6392   55.500   13.552   62.000   13.713   21.208   2.7725   22.478   2.6334 -1.270359 3.823809 
1 1 1   13   15   39 o   23.807   1.9384   68.370   10.803   80.100   15.297   56.700   15.257   25.588   2.5662   21.297   3.1271 4.291889 4.045226 
1 1 1   13   15   40 o   23.830   1.9703   68.648   10.988   74.500   15.476   62.700   15.604   24.586   2.7107   22.416   3.0252 2.170906 4.061973 
1 1 1   13   15   41 o   28.924   2.1054  101.525   14.281  124.300   20.230   78.900   20.163   31.741   2.7254   24.865   3.5334 6.876415 4.462360 
1 1 1   13   15   42 o   16.618   2.5255   34.500   9.5986   34.500   9.5986   0.0000   0.0000   16.618   2.5255  ?   ?  0.000000 2.525490 
1 1 1   13   15   43 o   19.740   2.6904   49.000   12.214   49.000   12.214   0.0000   0.0000   19.740   2.6904  ?   ?  0.000000 2.690375 
1 1 1   13   15   44 o   19.309   2.6646   47.100   11.826   47.100   11.826   0.0000   0.0000   19.309   2.6646  ?   ?  0.000000 2.664649 
1 1 1   13   15   45 o   17.897   2.6261   40.600   10.768   40.600   10.768   0.0000   0.0000   17.897   2.6261  ?   ?  0.000000 2.626083 
1 1 1   13   15   46 o   21.385   2.7720   58.400   13.669   58.400   13.669   0.0000   0.0000   21.385   2.7720  ?   ?  0.000000 2.771971 
1 1 1   13   15   47 f   5.7228   2.2489   2.6000   4.4470   2.6000   4.4470   0.0000   0.0000   5.7228   2.2489  ?   ?  0.000000 2.248875 
1 1 1   13   15   48 o   12.416   2.6893   20.500   7.6564   20.500   7.6564   0.0000   0.0000   12.416   2.6893  ?   ?  0.000000 2.689291 
1 1 1   13   15   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   15   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   15   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16    0 f  302.979   24.334 11607.10  1715.14 11607.10  1715.14 11607.10  1715.14  302.979   24.334  302.979   24.334 0.000000 0.000000 
1 1 1   13   16    1 o  193.600   10.378  4523.37  472.732  4690.80  668.914  4356.30  668.174  195.111   14.625  187.672   15.208 7.438690 21.09935 
1 1 1   13   16    2 o  243.147   12.238  7186.29  700.430  8644.00  991.753  5735.60  989.365  264.117   15.977  212.122   19.988 51.99532 25.58839 
1 1 1   13   16    3 o  141.569   7.2270  2394.95  240.792  2783.00  340.949  2008.80  340.114  151.981   9.5488  128.475   11.327 23.50659 14.81483 
1 1 1   13   16    4 o   59.985   3.1183  426.737   44.017  524.600   62.431  330.000   62.071   66.440   3.9979   52.502   5.0697 13.93755 6.456432 
1 1 1   13   16    5 o  193.777   10.384  4535.53  473.414  4831.90  669.758  4239.60  669.259  197.991   14.425  184.809   15.478 13.18181 21.15785 
1 1 1   13   16    6 o  212.038   10.718  5438.80  534.917  6866.40  757.418  4018.20  755.560  236.613   13.614  178.117   18.220 58.49634 22.74452 
1 1 1   13   16    7 f   79.327   4.2494  747.722   79.311  955.500  112.306  541.000  112.020   89.553   5.3350   66.977   7.1956 22.57568 8.957622 
1 1 1   13   16    8 o  133.934   7.2024  2145.90  226.951  2503.40  321.001  1788.60  320.913  144.025   9.4918  121.037   11.361 22.98709 14.80429 
1 1 1   13   16    9 o   58.979   3.2298  412.810   44.811  480.300   63.510  345.900   63.237   63.521   4.2587   53.754   5.0408 9.767574 6.598999 
1 1 1   13   16   10 o  137.115   6.8036  2241.96  220.285  2727.10  311.978  1759.60  311.083  150.474   8.8186  120.019   11.102 30.45466 14.17846 
1 1 1   13   16   11 o   35.658   2.1786  150.849   18.257  185.700   25.932  116.600   25.707   39.525   2.7965   31.180   3.5551 8.344961 4.523155 
1 1 1   13   16   12 o   27.127   2.0077   87.441   12.769   96.600   18.067   78.300   18.050   28.449   2.7227   25.543   3.0531 2.905952 4.090797 
1 1 1   13   16   13 o  114.145   6.1524  1557.78  165.219  1748.50  233.697  1367.20  233.613  120.362   8.2727  106.005   9.4312 14.35645 12.54533 
1 1 1   13   16   14 o   67.526   3.8255  542.299   60.749  541.800   85.863  542.800   85.961   67.244   5.4545   67.306   5.4555 -0.6225586E-01 7.714528 
1 1 1   13   16   15 o   83.759   4.6601  836.424   91.805  848.400  129.705  824.400  129.958   83.954   6.5957   82.723   6.7108 1.231049 9.409472 
1 1 1   13   16   16 o   67.440   3.8975  541.602   61.804  586.000   87.303  497.000   87.504   69.908   5.3287   64.246   5.8315 5.662102 7.899425 
1 1 1   13   16   17 o   77.812   4.3775  722.392   80.106  732.800  113.058  711.900  113.518   77.972   6.1914   76.814   6.3143 1.158356 8.843268 
1 1 1   13   16   18 o   16.213   1.6636   31.399   6.2787   37.200   8.9187   25.700   8.8407   17.596   2.1941   14.502   2.6803 3.093867 3.463828 
1 1 1   13   16   19 o   57.700   3.3636  396.603   45.630  397.200   64.399  396.000   64.664   57.484   4.7879   57.390   4.8162 0.9398270E-01 6.791103 
1 1 1   13   16   20 o   77.762   4.4730  724.318   81.790  788.200  115.516  660.100  115.821   80.643   6.1116   73.549   6.7439 7.094215 9.101228 
1 1 1   13   16   21 o   53.919   3.2481  346.794   41.162  370.900   58.100  322.500   58.326   55.522   4.4693   51.663   4.8373 3.859669 6.585920 
1 1 1   13   16   22 o   45.196   2.6598  243.214   28.261  279.600   40.042  207.100   39.892   48.323   3.5336   41.432   4.1326 6.890907 5.437304 
1 1 1   13   16   23 f   58.294   3.4437  406.409   47.194  446.200   66.693  366.500   66.791   60.771   4.6836   54.887   5.2160 5.883732 7.010175 
1 1 1   13   16   24 o   62.487   3.6453  468.098   53.554  487.600   75.645  448.500   75.829   63.329   5.1017   60.632   5.3511 2.696598 7.393365 
1 1 1   13   16   25 o   59.207   3.4791  420.187   48.427  453.900   68.449  386.400   68.524   61.149   4.7784   56.239   5.2194 4.909153 7.076368 
1 1 1   13   16   26 o   23.278   1.8524   64.616   10.098   72.400   14.313   56.900   14.249   24.556   2.5034   21.677   2.8531 2.879084 3.795658 
1 1 1   13   16   27 o   71.271   3.9567  612.333   66.329  719.700   93.854  505.200   93.752   76.721   5.2115   63.694   6.3166 13.02642 8.188908 
1 1 1   13   16   28 o   41.407   2.4896  204.720   24.229  240.400   34.328  169.300   34.203   44.709   3.2744   37.310   3.9419 7.398739 5.124416 
1 1 1   13   16   29 o   86.480   4.8789  914.977   99.225  1003.60  140.344  826.400  140.308   89.225   6.7102   80.309   7.4850 8.916084 10.05246 
1 1 1   13   16   30 o   65.940   3.8927  527.090   60.343  545.500   85.018  508.400   85.662   66.254   5.4835   63.792   5.7485 2.462635 7.944415 
1 1 1   13   16   31 o   37.385   2.4796  167.588   21.766  172.800   30.671  162.300   30.893   37.689   3.4857   36.469   3.6359 1.219933 5.036871 
1 1 1   13   16   32 o   17.074   1.7503   35.000   6.9571   35.000   9.7124   35.000   9.9705   16.929   2.5053   16.913   2.5781 0.1593399E-01 3.594884 
1 1 1   13   16   33 o   66.955   3.8154  550.236   60.074  512.900   84.606  588.200   85.315   63.154   5.7358   68.007   5.3559 -4.852905 7.847672 
1 1 1   13   16   34 o   39.680   2.6000  190.199   24.227  195.100   34.094  185.200   34.432   39.751   3.6738   38.652   3.8226 1.098812 5.301759 
1 1 1   13   16   35 o   29.473   2.0918  104.487   14.464   95.600   20.327  113.600   20.585   27.861   3.1447   30.489   2.8938 -2.628502 4.273598 
1 1 1   13   16   36 o   21.324   1.8350   54.706   9.1500   51.000   12.783   58.600   13.103   20.354   2.7282   21.884   2.5856 -1.529043 3.758793 
1 1 1   13   16   37 o   12.988   1.7388   20.481   5.1990   26.100   7.3006   14.700   7.4056   14.589   2.1866   10.805   2.8583 3.783587 3.598796 
1 1 1   13   16   38 o   38.787   2.5552  182.815   23.272  186.200   32.839  179.400   32.984   38.591   3.6469   37.819   3.7426 0.7718773 5.225584 
1 1 1   13   16   39 o   34.924   2.4187  148.116   19.824  164.600   27.979  131.500   28.091   36.408   3.2899   32.272   3.7565 4.136547 4.993461 
1 1 1   13   16   40 o   17.043   1.8081   35.197   7.1657   42.100   10.065   28.100   10.204   18.505   2.3568   14.870   3.0094 3.634536 3.822395 
1 1 1   13   16   41 o   35.511   2.4408  154.339   20.343  172.100   28.738  136.500   28.800   36.963   3.3282   32.572   3.8169 4.391144 5.064126 
1 1 1   13   16   42 o   4.2650   1.7063   1.1000   2.6037   1.1000   2.6037   0.0000   0.0000   4.2650   1.7063  ?   ?  0.000000 1.706301 
1 1 1   13   16   43 o   5.7126   2.0205   3.5000   3.4042   3.5000   3.4042   0.0000   0.0000   5.7126   2.0205  ?   ?  0.000000 2.020470 
1 1 1   13   16   44 o   17.917   2.6173   40.600   10.747   40.600   10.747   0.0000   0.0000   17.917   2.6173  ?   ?  0.000000 2.617253 
1 1 1   13   16   45 o   25.187   2.9642   81.100   17.293   81.100   17.293   0.0000   0.0000   25.187   2.9642  ?   ?  0.000000 2.964229 
1 1 1   13   16   46 o   11.528   2.7744   17.400   7.4610   17.400   7.4610   0.0000   0.0000   11.528   2.7744  ?   ?  0.000000 2.774409 
1 1 1   13   16   47 o   27.945   3.2611  103.800   21.115  103.800   21.115   0.0000   0.0000   27.945   3.2611  ?   ?  0.000000 3.261120 
1 1 1   13   16   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   16   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17    0 o   3.6484   2.0459   2.1000   2.6562   2.1000   2.6562   2.1000   2.6562   3.6484   2.0459   3.6484   2.0459 0.000000 0.000000 
1 1 1   13   17    1 o   89.637   4.9051  955.859  103.430  1014.30  146.324  897.500  146.222   92.036   6.7805   86.460   7.2284 5.576797 9.910820 
1 1 1   13   17    2 o   46.808   2.8325  260.036   31.160  267.000   44.111  253.100   44.024   47.315   3.9851   46.045   4.0916 1.269863 5.711614 
1 1 1   13   17    3 o  258.923   14.116  8244.05  859.822  7697.40  1215.80  8791.00  1216.14  244.078   21.308  262.483   19.766 -18.40480 29.06440 
1 1 1   13   17    4 o  119.319   6.1377  1697.72  172.348  1949.20  244.068  1447.60  243.406  127.409   8.1552  109.368   9.5199 18.04049 12.53536 
1 1 1   13   17    5 o  140.624   7.3410  2365.94  242.923  2663.50  343.869  2069.50  343.221  148.464   9.8648  130.317   11.264 18.14734 14.97321 
1 1 1   13   17    6 o  140.862   6.8395  2364.72  227.500  2898.20  322.364  1835.40  321.107  155.223   8.8313  122.670   11.209 32.55315 14.27019 
1 1 1   13   17    7 o   72.260   3.7429  619.927   63.647  810.200   90.207  431.300   89.816   82.525   4.6480   59.844   6.4581 22.68082 7.956819 
1 1 1   13   17    8 o  153.746   8.2770  2839.99  299.390  2978.50  423.500  2701.60  423.302  156.199   11.564  148.455   12.183 7.743561 16.79710 
1 1 1   13   17    9 o  103.083   4.5798  1260.57  111.480  1674.00  158.291  853.700  157.029  118.645   5.6500   84.061   8.0077 34.58396 9.800242 
1 1 1   13   17   10 o   6.3290   1.6572   4.9056   2.5060   9.6000   3.6689   0.8000   3.4311   8.8521   1.8161   4.6998   1.9296 4.152301 2.649825 
1 1 1   13   17   11 f   61.222   3.4696  445.282   49.953  501.800   70.687  388.900   70.601   64.854   4.6465   56.950   5.3113 7.904579 7.056869 
1 1 1   13   17   12 o  121.230   6.5671  1760.22  187.295  1806.80  264.965  1713.70  264.785  121.982   9.2681  118.687   9.5280 3.294838 13.29214 
1 1 1   13   17   13 o  101.850   5.5958  1239.54  134.067  1337.80  189.564  1141.20  189.636  105.283   7.6778   96.997   8.3611 8.286194 11.35154 
1 1 1   13   17   14 o   92.083   4.9275  1011.71  106.757  1162.40  151.073  861.400  150.880   98.344   6.5428   84.301   7.6632 14.04341 10.07632 
1 1 1   13   17   15 o   72.260   4.1259  622.188   70.109  648.600   98.986  595.600   99.314   73.472   5.7514   70.323   6.0393 3.148430 8.339725 
1 1 1   13   17   16 o   9.6937   1.5496   11.383   3.4276   7.8000   4.7143   15.400   4.9923   8.0450   2.3406   11.252   1.9496 -3.206648 3.046181 
1 1 1   13   17   17 o   64.177   3.7416  490.911   56.456  514.700   79.656  466.900   80.027   65.439   5.1977   62.239   5.5018 3.200294 7.568758 
1 1 1   13   17   18 o   96.523   5.4463  1119.50  123.628  1275.10  174.722  963.500  174.950  102.353   7.2765   88.415   8.4838 13.93827 11.17688 
1 1 1   13   17   19 o   35.620   2.4367  150.998   20.372  191.600   28.776  110.200   28.846   40.063   3.0650   30.128   4.1660 9.935003 5.172041 
1 1 1   13   17   20 o  178.901   10.252  4038.97  431.288  4225.80  609.244  3851.30  610.624  177.166   14.696  167.841   15.585 9.325516 21.42067 
1 1 1   13   17   21 o   64.694   3.7629  500.674   57.236  528.000   80.836  473.200   81.053   66.051   5.2254   62.407   5.5584 3.644669 7.628928 
1 1 1   13   17   22 o   83.073   4.6569  831.106   90.984  846.400  128.644  815.800  128.697   83.020   6.6170   81.432   6.7538 1.588219 9.455104 
1 1 1   13   17   23 o  126.190   7.0548  1968.25  209.377  2070.80  296.098  1865.70  296.109  126.673   9.9798  119.566   10.598 7.106880 14.55696 
1 1 1   13   17   24 o   37.721   2.4459  169.649   21.669  168.100   30.632  171.200   30.656   37.354   3.5140   37.707   3.4823 -0.3525352 4.947222 
1 1 1   13   17   25 o   81.085   4.5290  795.000   86.369  885.200  122.179  704.900  122.111   84.753   6.1467   75.138   6.9614 9.615387 9.286691 
1 1 1   13   17   26 o   21.074   1.6666   52.926   8.2261   68.600   11.699   37.600   11.569   23.956   2.0891   17.538   2.8943 6.417664 3.569499 
1 1 1   13   17   27 o   65.582   3.7564  518.122   57.931  556.600   81.956  479.700   81.897   67.384   5.1906   62.328   5.6251 5.056034 7.653999 
1 1 1   13   17   28 o   38.580   2.2913  177.573   20.780  219.100   29.487  136.600   29.289   42.735   2.9399   33.500   3.7679 9.234940 4.779101 
1 1 1   13   17   29 o   44.048   2.6706  232.329   27.647  258.000   39.153  206.800   39.045   46.165   3.6207   41.162   4.0704 5.002865 5.447684 
1 1 1   13   17   30 o   16.268   1.4911   31.624   5.6643   42.500   8.0968   21.200   7.9270   18.830   1.8447   13.092   2.6550 5.737903 3.232962 
1 1 1   13   17   31 o   28.140   2.1104   94.837   13.921   97.200   19.536   92.400   19.842   28.298   2.9677   27.547   3.1044 0.7508106 4.294704 
1 1 1   13   17   32 o   27.294   2.9463   90.700   18.688   90.700   18.688   0.0000   0.0000   27.294   2.9463  ?   ?  0.000000 2.946300 
1 1 1   13   17   33 o   52.248   4.6298  343.100   56.529  343.100   56.529   0.0000   0.0000   52.248   4.6298  ?   ?  0.000000 4.629764 
1 1 1   13   17   34 o   52.887   3.2679  341.950   40.611  360.200   57.277  323.500   57.590   53.421   4.5850   50.378   4.9032 3.042358 6.712923 
1 1 1   13   17   35 o   32.074   2.2136  123.985   16.662  117.300   23.452  130.800   23.678   30.824   3.2721   32.632   3.1105 -1.808163 4.514631 
1 1 1   13   17   36 o   8.2024   1.7556   8.3310   3.2977   4.5000   4.5949   12.400   4.7354   6.5791   2.3452   9.9933   2.0746 -3.414217 3.131136 
1 1 1   13   17   37 o   42.173   2.6979  216.535   26.726  215.000   37.612  218.100   37.984   41.357   3.8974   41.649   3.9078 -0.2923660 5.519134 
1 1 1   13   17   38 o   38.744   2.4980  182.330   22.732  171.500   31.973  193.400   32.326   36.956   3.7141   39.383   3.5129 -2.427418 5.112262 
1 1 1   13   17   39 o   43.096   2.8285  227.770   28.625  267.200   40.420  188.100   40.543   46.061   3.7487   37.996   4.6134 8.065380 5.944427 
1 1 1   13   17   40 o   17.972   1.7861   39.108   7.4795   46.100   10.572   32.100   10.583   19.360   2.3615   15.929   2.9212 3.430346 3.756348 
1 1 1   13   17   41 o   8.1603   1.7631   8.3000   3.2982   11.700   4.6643   4.9000   4.6643   9.6544   2.1053   6.7170   2.3662 2.937347 3.167207 
1 1 1   13   17   42 o   26.780   3.0199   90.600   18.764   90.600   18.764   0.0000   0.0000   26.780   3.0199  ?   ?  0.000000 3.019890 
1 1 1   13   17   43 o   13.915   2.5528   24.600   8.0791   24.600   8.0791   0.0000   0.0000   13.915   2.5528  ?   ?  0.000000 2.552847 
1 1 1   13   17   44 o   38.153   3.8495  193.100   34.207  193.100   34.207   0.0000   0.0000   38.153   3.8495  ?   ?  0.000000 3.849477 
1 1 1   13   17   45 f   20.169   2.7659   51.900   12.826   51.900   12.826   0.0000   0.0000   20.169   2.7659  ?   ?  0.000000 2.765939 
1 1 1   13   17   46 o   29.194   3.3130  112.100   22.435  112.100   22.435   0.0000   0.0000   29.194   3.3130  ?   ?  0.000000 3.313017 
1 1 1   13   17   47 o   24.961   3.1204   82.900   17.990   82.900   17.990   0.0000   0.0000   24.961   3.1204  ?   ?  0.000000 3.120400 
1 1 1   13   17   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   17   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18    0 o   58.658   4.9417  415.800   67.332  415.800   67.332  415.800   67.332   58.658   4.9417   58.658   4.9417 0.000000 0.000000 
1 1 1   13   18    1 o  153.452   8.2668  2826.29  298.447  2881.90  422.116  2770.70  422.019  153.712   11.718  150.600   11.966 3.112747 16.74770 
1 1 1   13   18    2 o  188.418   10.088  4289.40  447.189  4034.60  632.116  4544.70  632.724  180.262   14.986  191.935   14.058 -11.67281 20.54779 
1 1 1   13   18    3 o  148.310   7.9579  2637.91  277.677  2491.90  392.578  2784.10  392.811  142.834   11.743  151.298   11.072 -8.464035 16.13978 
1 1 1   13   18    4 f   43.903   2.7047  228.788   27.903  247.000   39.475  210.600   39.448   45.524   3.7042   41.972   4.0297 3.552139 5.473573 
1 1 1   13   18    5 o  112.678   5.9524  1514.57  157.816  1674.40  223.454  1355.50  222.917  117.999   8.0679  105.866   9.0026 12.13283 12.08873 
1 1 1   13   18    6 o   37.186   2.0564  163.914   17.987  222.900   25.622  106.600   25.257   43.347   2.5140   29.780   3.6692 13.56646 4.447824 
1 1 1   13   18    7 o  225.251   12.519  6222.18  663.252  6990.60  937.475  5452.10  938.486  235.189   16.995  205.377   19.589 29.81264 25.93354 
1 1 1   13   18    8 o   74.727   4.0172  663.716   70.625  782.200  100.000  545.800   99.760   80.962   5.2592   67.381   6.3446 13.58109 8.240875 
1 1 1   13   18    9 o  180.225   9.6359  3933.60  408.595  4299.70  578.115  3568.20  577.568  186.428   13.218  168.889   14.627 17.53972 19.71440 
1 1 1   13   18   10 o   23.799   1.8257   67.323   10.182   77.800   14.488   57.100   14.312   25.535   2.4323   21.784   2.8508 3.750996 3.747373 
1 1 1   13   18   11 o  112.762   6.0478  1520.94  160.448  1644.20  227.056  1398.00  226.760  116.605   8.3003  107.235   9.0394 9.370956 12.27216 
1 1 1   13   18   12 o   51.951   2.8845  320.435   35.246  387.500   49.945  253.900   49.747   57.048   3.7280   45.993   4.6441 11.05503 5.955330 
1 1 1   13   18   13 o  124.113   6.5810  1849.91  192.185  2073.30  271.996  1627.20  271.585  130.534   8.8770  115.061   10.098 15.47243 13.44496 
1 1 1   13   18   14 o   95.382   5.1940  1087.83  116.545  1051.00  164.454  1125.00  165.187   93.101   7.5453   96.419   7.3096 -3.317627 10.50535 
1 1 1   13   18   15 o   72.535   4.0831  627.273   69.651  622.800   98.210  631.800   98.795   71.914   5.8336   72.437   5.8250 -0.5233307 8.243909 
1 1 1   13   18   16 o   56.806   3.2466  384.026   43.369  364.900   61.135  403.400   61.531   55.119   4.7433   58.016   4.5273 -2.896801 6.557101 
1 1 1   13   18   17 o   42.827   2.7969  218.316   28.130  259.700   39.703  176.600   39.861   46.607   3.6363   38.226   4.5024 8.381275 5.787410 
1 1 1   13   18   18 o   45.473   2.7601  246.077   29.498  237.400   41.543  254.900   41.891   44.467   3.9992   46.110   3.8835 -1.643188 5.574482 
1 1 1   13   18   19 o   39.780   2.5129  188.316   23.483  183.100   33.104  193.600   33.318   39.055   3.6311   40.183   3.5478 -1.127666 5.076612 
1 1 1   13   18   20 o   79.900   4.5271  766.775   85.064  786.600  120.071  746.800  120.526   80.265   6.3879   78.111   6.5962 2.154114 9.182315 
1 1 1   13   18   21 o   81.447   4.6182  798.531   88.454  827.500  124.918  769.400  125.268   82.162   6.4915   79.079   6.7738 3.082954 9.382108 
1 1 1   13   18   22 o   66.196   3.7885  525.445   58.973  532.200   83.430  518.700   83.371   66.107   5.3915   65.231   5.4628 0.8754730 7.675296 
1 1 1   13   18   23 o   31.388   2.1854  117.399   16.097  114.700   22.761  120.100   22.767   30.866   3.1678   31.606   3.0900 -0.7396488 4.425281 
1 1 1   13   18   24 o  106.869   5.9741  1400.90  150.157  1525.10  212.358  1276.70  212.351  109.690   8.2592   99.563   9.1340 10.12694 12.31438 
1 1 1   13   18   25 o   18.247   1.7399   39.798   7.4063   40.000   10.525   39.600   10.424   18.174   2.5204   18.083   2.5088 0.9069633E-01 3.556181 
1 1 1   13   18   26 o   97.805   5.5104  1173.41  126.746  1192.00  179.191  1154.80  179.301   96.691   7.9176   95.031   8.0664 1.660591 11.30287 
1 1 1   13   18   27 o   51.568   3.0875  318.898   37.424  324.400   52.933  313.400   52.919   51.614   4.3846   50.697   4.4661 0.9173164 6.258605 
1 1 1   13   18   28 f   77.503   4.3718  730.697   79.683  807.500  112.727  654.000  112.649   80.482   5.9742   71.891   6.7135 8.591141 8.986718 
1 1 1   13   18   29 o   13.220   1.6228   21.028   4.9594   23.200   7.0494   18.900   6.9784   13.790   2.2419   12.377   2.4741 1.412161 3.338790 
1 1 1   13   18   30 o   75.577   4.3405  700.245   77.138  776.000  109.093  624.500  109.086   78.339   5.9416   69.599   6.7211 8.739815 8.970853 
1 1 1   13   18   31 o   28.964   1.9271  100.281   13.105  122.200   18.627   78.800   18.440   31.861   2.4958   25.381   3.1441 6.480482 4.014225 
1 1 1   13   18   32 o   9.2837   1.7301   10.579   3.6531   8.5000   4.9805   13.000   5.3747   8.3304   2.4006   10.228   2.2831 -1.897775 3.312952 
1 1 1   13   18   33 o   52.889   3.3566  342.071   41.704  390.800   58.816  292.800   59.141   55.797   4.5023   47.676   5.3453 8.120750 6.988772 
1 1 1   13   18   34 o   38.523   2.5588  179.608   23.144  193.500   32.663  165.600   32.799   39.564   3.5333   36.414   3.8740 3.150421 5.243238 
1 1 1   13   18   35 o   31.779   2.3085  122.022   17.205  131.600   24.180  112.200   24.486   32.687   3.1726   30.015   3.5216 2.671997 4.739959 
1 1 1   13   18   36 o   60.143   3.7227  449.779   52.609  480.000   74.123  419.100   74.681   60.695   5.2226   56.190   5.7077 4.504490 7.736499 
1 1 1   13   18   37 o   62.605   3.8847  490.782   57.145  552.400   80.664  428.700   80.967   64.866   5.3128   56.089   6.2178 8.776505 8.178436 
1 1 1   13   18   38 f   43.608   2.7983  232.488   28.663  241.300   40.449  223.600   40.623   43.695   3.9634   41.913   4.1594 1.781868 5.745354 
1 1 1   13   18   39 o   27.225   2.9949   92.100   18.935   92.100   18.935   0.0000   0.0000   27.225   2.9949  ?   ?  0.000000 2.994876 
1 1 1   13   18   40 o   8.2090   1.8049   8.4000   3.4034   8.4000   4.7098   8.4000   4.9236   8.2065   2.3247   8.2219   2.3919 -0.1540852E-01 3.335478 
1 1 1   13   18   41 o   11.816   1.8670   17.210   5.0364   23.900   6.9474   9.8000   7.3117   13.876   2.1931   9.0108   2.9662 4.865367 3.688902 
1 1 1   13   18   42 o   13.527   2.5340   23.200   7.7970   23.200   7.7970   0.0000   0.0000   13.527   2.5340  ?   ?  0.000000 2.534012 
1 1 1   13   18   43 o   19.472   2.6728   47.900   11.965   47.900   11.965   0.0000   0.0000   19.472   2.6728  ?   ?  0.000000 2.672768 
1 1 1   13   18   44 o   15.480   2.6131   30.500   9.2119   30.500   9.2119   0.0000   0.0000   15.480   2.6131  ?   ?  0.000000 2.613143 
1 1 1   13   18   45 o   20.352   2.8191   53.100   13.184   53.100   13.184   0.0000   0.0000   20.352   2.8191  ?   ?  0.000000 2.819125 
1 1 1   13   18   46 o   12.680   2.7231   21.100   7.9104   21.100   7.9104   0.0000   0.0000   12.680   2.7231  ?   ?  0.000000 2.723142 
1 1 1   13   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   18   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19    0 o   33.423   3.3576  136.000   25.886  136.000   25.886  136.000   25.886   33.423   3.3576   33.423   3.3576 0.000000 0.000000 
1 1 1   13   19    1 f  297.253   16.587 11102.97  1159.62 10947.20  1639.78 11258.80  1640.11  285.147   24.594  289.763   24.191 -4.615997 34.49739 
1 1 1   13   19    2 o  269.302   13.548  8936.71  858.821 10715.00  1216.32  7168.70  1212.80  290.602   17.811  232.952   22.321 57.64973 28.55612 
1 1 1   13   19    3 o  136.961   7.4101  2248.76  238.762  2156.70  337.674  2340.80  337.647  132.976   10.848  138.751   10.381 -5.775238 15.01479 
1 1 1   13   19    4 o  109.115   5.8698  1420.94  150.685  1548.10  213.198  1294.00  213.005  113.397   8.0136  103.410   8.8069 9.986870 11.90706 
1 1 1   13   19    5 o  188.021   10.073  4285.57  445.580  5111.00  630.331  3461.10  629.961  203.533   13.186  165.408   16.342 38.12463 20.99854 
1 1 1   13   19    6 o   20.801   1.8033   51.510   8.7696   60.500   12.430   42.600   12.374   22.496   2.3759   18.759   2.8860 3.737093 3.738134 
1 1 1   13   19    7 o  155.377   7.9086  2902.75  289.208  3477.70  409.538  2330.80  408.467  169.071   10.307  137.182   12.756 31.88951 16.39952 
1 1 1   13   19    8 o  165.729   8.3927  3311.65  327.373  3913.30  463.674  2713.60  462.281  178.873   11.031  147.589   13.411 31.28377 17.36493 
1 1 1   13   19    9 o   66.353   3.3597  522.793   52.469  650.800   74.454  396.500   73.954   73.931   4.2832   57.447   5.5197 16.48391 6.986556 
1 1 1   13   19   10 o   96.095   4.8479  1100.68  109.651  1348.80  155.392  854.600  154.751  106.091   6.2301   83.946   7.8997 22.14452 10.06079 
1 1 1   13   19   11 o  224.300   11.347  6201.63  599.025  7591.40  848.273  4819.20  846.030  244.734   14.747  190.503   19.063 54.23109 24.10145 
1 1 1   13   19   12 o   15.146   1.5706   27.399   5.5354   38.000   7.9659   17.500   7.6974   17.825   1.9230   11.920   2.7848 5.904875 3.384233 
1 1 1   13   19   13 o   74.318   4.2621  658.706   74.485  772.200  105.265  544.900  105.410   80.211   5.5926   67.038   6.7506 13.17252 8.766335 
1 1 1   13   19   14 o   64.350   3.6756  493.237   55.621  547.100   78.669  439.400   78.650   67.548   4.9669   60.367   5.5806 7.181553 7.470861 
1 1 1   13   19   15 o   41.776   2.5615  207.453   25.147  244.600   35.610  170.500   35.517   45.276   3.3546   37.645   4.0598 7.631275 5.266437 
1 1 1   13   19   16 o   52.250   3.1979  325.220   39.266  389.700   55.480  260.500   55.582   57.053   4.1464   46.381   5.1626 10.67217 6.621572 
1 1 1   13   19   17 o   88.572   5.0687  942.690  105.573  1057.10  149.146  827.800  149.459   93.167   6.8269   81.990   7.8142 11.17628 10.37631 
1 1 1   13   19   18 o   71.322   4.0972  608.902   68.714  648.000   97.051  569.600   97.303   73.139   5.6635   68.409   6.0871 4.730125 8.314338 
1 1 1   13   19   19 o  126.651   7.1133  1965.56  211.875  2054.10  299.290  1876.60  299.983  127.225   10.044  121.104   10.597 6.120407 14.60032 
1 1 1   13   19   20 o  120.336   6.5519  1770.78  185.475  1697.00  261.556  1845.40  263.053  115.483   9.6808  120.789   9.2940 -5.305519 13.41996 
1 1 1   13   19   21 o   67.199   3.8516  541.662   60.862  566.700   86.051  516.600   86.094   68.239   5.3840   65.031   5.6630 3.208130 7.813918 
1 1 1   13   19   22 o   34.409   2.2858  141.075   18.467  158.400   26.135  123.800   26.097   36.343   3.0742   32.014   3.5096 4.328442 4.665628 
1 1 1   13   19   23 o   57.558   3.3579  396.836   45.441  379.500   64.237  414.200   64.290   55.824   4.9234   58.415   4.7006 -2.590542 6.807027 
1 1 1   13   19   24 o   62.121   3.5844  463.388   52.356  519.600   74.051  407.200   74.035   65.358   4.8324   57.555   5.5149 7.802326 7.332573 
1 1 1   13   19   25 o   11.909   1.6497   17.116   4.5146   16.000   6.4316   18.200   6.3387   11.384   2.4640   12.183   2.2873 -0.7988472 3.361952 
1 1 1   13   19   26 o   63.958   3.6770  492.621   55.299  539.400   78.229  445.900   78.181   66.384   5.0278   60.077   5.5745 6.306458 7.506954 
1 1 1   13   19   27 o   54.936   3.2459  362.740   41.919  343.900   59.267  381.600   59.299   52.935   4.7934   55.891   4.5321 -2.955566 6.596694 
1 1 1   13   19   28 o   11.022   1.6123   14.701   4.0722   18.600   5.8356   11.000   5.6853   12.346   2.0754   9.4415   2.5077 2.904359 3.255117 
1 1 1   13   19   29 o   62.134   3.6000  467.869   52.593  515.400   74.402  420.400   74.353   64.519   4.9206   57.898   5.5046 6.620636 7.383332 
1 1 1   13   19   30 o   8.8734   1.8823   9.7163   3.8219   1.7000   5.5003   17.200   5.3144   6.0329   2.4561   11.869   1.9650 -5.835675 3.145419 
1 1 1   13   19   31 o   45.615   2.7737  251.092   29.734  278.700   42.095  223.600   42.006   47.641   3.7727   42.420   4.2507 5.220783 5.683519 
1 1 1   13   19   32 o   33.783   2.1670  137.005   17.196  160.300   24.395  114.000   24.243   36.339   2.8662   30.416   3.4356 5.922941 4.474234 
1 1 1   13   19   33 o   8.4493   1.4248   8.7096   2.7417   11.900   4.1319   6.2000   3.6646   9.8329   1.8474   7.1254   2.0609 2.707420 2.767681 
1 1 1   13   19   34 o   10.650   1.7888   13.890   4.3391   18.800   6.0528   8.7000   6.2236   12.353   2.1533   8.5530   2.7306 3.800201 3.477434 
1 1 1   13   19   35 o   23.090   1.9528   64.220   10.547   68.900   14.808   59.400   15.027   23.718   2.6916   21.911   2.9819 1.807884 4.016964 
1 1 1   13   19   36 o   26.466   2.0469   84.460   12.693   82.900   17.733   86.100   18.176   25.933   2.9482   26.429   2.9636 -0.4959011 4.180250 
1 1 1   13   19   37 o   12.661   1.7473   19.501   5.0847   21.400   7.0156   17.400   7.3799   13.135   2.3481   11.746   2.7151 1.389410 3.589602 
1 1 1   13   19   38 o   40.560   2.6573  200.919   25.310  203.600   35.666  198.200   35.923   40.144   3.8080   39.543   3.8978 0.6004028 5.449237 
1 1 1   13   19   39 o   22.060   1.9495   58.965   10.051   65.900   14.099   51.800   14.331   23.099   2.6319   20.274   3.0914 2.824944 4.060011 
1 1 1   13   19   40 o   19.308   1.8178   45.205   8.1902   48.100   11.572   42.300   11.593   19.681   2.5499   18.361   2.7592 1.319843 3.756997 
1 1 1   13   19   41 o   5.8988   1.7356   4.2599   2.5792   1.1000   3.5483   7.8000   3.7557   4.8172   1.9683   7.8780   2.0118 -3.060778 2.814508 
1 1 1   13   19   42 o   32.780   3.4203  138.600   26.085  138.600   26.085   0.0000   0.0000   32.780   3.4203  ?   ?  0.000000 3.420310 
1 1 1   13   19   43 o   17.941   2.6203   40.700   10.774   40.700   10.774   0.0000   0.0000   17.941   2.6203  ?   ?  0.000000 2.620333 
1 1 1   13   19   44 o   9.9832   2.6805   12.900   6.4520   12.900   6.4520   0.0000   0.0000   9.9832   2.6805  ?   ?  0.000000 2.680460 
1 1 1   13   19   45 o   29.880   3.3792  117.500   23.424  117.500   23.424   0.0000   0.0000   29.880   3.3792  ?   ?  0.000000 3.379194 
1 1 1   13   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   19   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   20    0 o   63.115   5.2558  481.600   77.081  481.600   77.081  481.600   77.081   63.115   5.2558   63.115   5.2558 0.000000 0.000000 
1 1 1   13   20    1 o  224.432   12.115  6180.44  639.659  6681.70  905.030  5680.10  904.198  229.447   16.821  210.032   18.417 19.41521 24.94287 
1 1 1   13   20    2 o   44.187   2.6324  231.744   27.342  269.400   38.748  194.400   38.587   47.570   3.4735   40.284   4.1141 7.285152 5.384347 
1 1 1   13   20    3 o   18.354   1.7585   40.169   7.5279   46.100   10.674   34.300   10.618   19.606   2.3526   16.808   2.7719 2.798330 3.635717 
1 1 1   13   20    4 o  141.153   7.5225  2393.67  249.831  2645.80  353.512  2142.10  353.116  147.372   10.222  132.011   11.441 15.36075 15.34196 
1 1 1   13   20    5 o   34.554   2.3326  141.816   18.921  160.800   26.747  122.800   26.770   36.726   3.1135   31.994   3.6063 4.732037 4.764372 
1 1 1   13   20    6 o   95.308   4.8120  1082.11  107.947  1307.00  152.980  859.100  152.341  104.470   6.2296   84.262   7.7430 20.20734 9.937909 
1 1 1   13   20    7 o   64.829   3.5347  499.489   53.907  613.400   76.341  386.200   76.132   71.724   4.5307   56.634   5.7736 15.09068 7.339074 
1 1 1   13   20    8 o  189.792   9.4817  4370.49  424.940  5263.90  601.873  3482.50  600.044  205.988   12.432  165.128   15.573 40.85971 19.92630 
1 1 1   13   20    9 o   89.207   4.9229  949.841  103.301  940.400  146.023  959.300  146.155   88.259   7.0658   89.165   6.9977 -0.9065018 9.944498 
1 1 1   13   20   10 o   45.540   2.7875  246.441   29.831  280.700   42.194  212.200   42.182   48.502   3.7122   42.042   4.3098 6.460232 5.688149 
1 1 1   13   20   11 o   50.287   2.8480  300.414   33.680  358.100   47.728  243.200   47.533   54.809   3.7096   44.991   4.5360 9.818199 5.859743 
1 1 1   13   20   12 o   3.5449   1.3792   0.9000   1.6593   3.9000   2.2926  -2.4000   2.4046   5.6801   1.6264   2.9625   1.3848 2.717571 2.136100 
1 1 1   13   20   13 o  118.228   6.5035  1685.90  180.867  1698.90  255.300  1672.80  256.271  117.419   9.2834  116.448   9.3999 0.9713287 13.21136 
1 1 1   13   20   14 f  183.225   10.394  4181.58  447.850  4666.50  632.947  3695.40  633.765  189.342   14.261  165.986   16.383 23.35576 21.72084 
1 1 1   13   20   15 o   99.554   7.9564  1216.40  185.478  1216.40  185.478   0.0000   0.0000   99.554   7.9564  ?   ?  0.000000 7.956405 
1 1 1   13   20   16 o   23.956   1.9637   68.362   11.011   76.800   15.514   59.800   15.629   25.318   2.6336   22.240   3.0568 3.077965 4.034789 
1 1 1   13   20   17 o   82.299   4.5210  812.572   87.524  783.900  123.397  841.600  124.162   80.124   6.5801   83.120   6.3744 -2.996605 9.161373 
1 1 1   13   20   18 o  114.037   6.4266  1584.23  172.352  1655.40  243.345  1512.60  244.141  114.878   9.0438  109.423   9.5442 5.455360 13.14848 
1 1 1   13   20   19 o   38.346   2.5106  175.193   22.608  205.300   31.950  145.000   31.996   41.398   3.2956   34.612   3.9877 6.785931 5.173254 
1 1 1   13   20   20 o  125.939   7.3345  1964.98  217.175  2154.10  306.585  1774.50  307.682  129.192   10.131  115.923   11.387 13.26885 15.24138 
1 1 1   13   20   21 o   46.768   2.8384  261.085   31.198  285.000   44.135  237.200   44.107   48.649   3.8740   44.257   4.2736 4.391953 5.768134 
1 1 1   13   20   22 o   72.510   4.1257  633.107   70.350  647.900   99.467  618.300   99.512   72.654   5.8472   70.894   6.0007 1.760246 8.378448 
1 1 1   13   20   23 o   63.477   3.7105  484.255   55.375  532.400   78.267  436.000   78.357   66.083   5.0539   59.531   5.6413 6.551868 7.574090 
1 1 1   13   20   24 o   25.776   1.9831   79.256   11.978   87.300   16.933   71.200   16.946   26.949   2.6971   24.249   3.0252 2.700348 4.052974 
1 1 1   13   20   25 o   20.044   1.7939   47.997   8.4011   49.600   11.893   46.400   11.869   20.262   2.5417   19.570   2.6354 0.6919308 3.661327 
1 1 1   13   20   26 o   38.425   2.4787  176.484   22.371  183.300   31.675  169.700   31.599   38.936   3.4819   37.416   3.6218 1.520290 5.024065 
1 1 1   13   20   27 o   14.815   1.6278   26.326   5.6009   31.900   7.9747   20.900   7.8680   16.247   2.1300   13.007   2.6517 3.240288 3.401220 
1 1 1   13   20   28 o   67.500   3.9063  553.752   61.996  571.500   87.672  536.000   87.680   67.621   5.5392   65.342   5.7409 2.278893 7.977491 
1 1 1   13   20   29 o   23.830   1.8159   67.870   10.141   87.700   14.390   48.300   14.295   27.023   2.2762   19.799   3.1642 7.223993 3.897834 
1 1 1   13   20   30 o   51.706   3.1021  323.674   37.701  340.700   53.358  306.700   53.277   52.440   4.3482   49.599   4.6013 2.840401 6.330745 
1 1 1   13   20   31 o   45.173   2.7708  246.646   29.413  272.700   41.640  220.700   41.553   47.051   3.7797   42.072   4.2405 4.979416 5.680506 
1 1 1   13   20   32 o   36.683   2.2784  161.852   19.638  192.200   27.865  131.900   27.682   39.733   2.9919   32.620   3.6566 7.112434 4.724640 
1 1 1   13   20   33 o   26.160   1.9078   82.151   11.704   98.700   16.601   65.800   16.502   28.531   2.4891   23.067   3.1086 5.463484 3.982340 
1 1 1   13   20   34 o   57.361   3.2921  403.977   44.405  439.000   62.954  369.300   62.643   58.781   4.5714   53.507   5.0165 5.274395 6.786973 
1 1 1   13   20   35 o   26.585   2.0888   85.246   13.008   97.300   18.323   73.000   18.469   28.191   2.7890   24.195   3.3201 3.996336 4.336134 
1 1 1   13   20   36 o   17.889   1.7962   38.615   7.4853   40.100   10.535   37.100   10.638   18.047   2.5426   17.304   2.6908 0.7424507 3.702039 
1 1 1   13   20   37 o   41.391   2.7270  209.152   26.504  227.700   37.380  190.400   37.586   42.583   3.7559   38.638   4.1865 3.945663 5.624365 
1 1 1   13   20   38 o   33.378   2.3246  135.456   18.208  155.500   25.745  115.400   25.753   35.382   3.1132   30.137   3.6964 5.244963 4.832717 
1 1 1   13   20   39 o   33.057   2.3411  133.355   18.156  139.300   25.560  127.300   25.795   33.272   3.2966   31.667   3.5085 1.605005 4.814296 
1 1 1   13   20   40 o   29.488   2.2875  106.397   15.804  120.100   22.117   92.100   22.591   30.921   3.0696   26.696   3.6815 4.225163 4.793335 
1 1 1   13   20   41 o   47.199   3.0243  280.259   33.529  357.000   47.415  203.500   47.421   52.297   3.8669   37.682   5.4907 14.61578 6.715732 
1 1 1   13   20   42 o   23.223   2.8473   68.300   15.286   68.300   15.286   0.0000   0.0000   23.223   2.8473  ?   ?  0.000000 2.847260 
1 1 1   13   20   43 o   19.072   2.8306   46.400   12.361   46.400   12.361   0.0000   0.0000   19.072   2.8306  ?   ?  0.000000 2.830603 
1 1 1   13   20   44 o   11.330   2.6982   16.700   7.1155   16.700   7.1155   0.0000   0.0000   11.330   2.6982  ?   ?  0.000000 2.698167 
1 1 1   13   20   45 o   9.5834   2.6913   12.000   6.3409   12.000   6.3409   0.0000   0.0000   9.5834   2.6913  ?   ?  0.000000 2.691270 
1 1 1   13   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   20   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   20   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   20   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21    0 o  200.449   15.918  5000.30  742.540  5000.30  742.540  5000.30  742.540  200.449   15.918  200.449   15.918 0.000000 0.000000 
1 1 1   13   21    1 o   56.235   3.2947  375.811   43.559  359.100   61.623  392.500   61.581   54.760   4.8145   57.303   4.5895 -2.543110 6.651518 
1 1 1   13   21    2 o   76.288   4.2112  692.749   75.568  738.900  106.986  646.800  106.753   78.516   5.8117   73.349   6.2221 5.167053 8.514148 
1 1 1   13   21    3 o   79.043   4.3988  744.143   81.777  733.500  115.612  754.800  115.690   78.112   6.3221   79.265   6.2311 -1.152954 8.876703 
1 1 1   13   21    4 o  119.554   6.5071  1714.15  183.010  1656.00  258.823  1772.30  258.808  116.491   9.4916  120.672   9.1507 -4.180695 13.18428 
1 1 1   13   21    5 o   52.763   3.1084  330.831   38.558  351.500   54.554  310.200   54.504   54.239   4.2945   50.887   4.5851 3.352039 6.282216 
1 1 1   13   21    6 o  195.939   10.933  4722.79  503.829  4990.60  711.744  4453.80  713.301  197.639   15.372  185.654   16.441 11.98532 22.50740 
1 1 1   13   21    7 f  204.527   11.259  5166.25  541.659  5352.00  766.127  4980.60  765.917  203.651   16.062  195.724   16.733 7.927231 23.19409 
1 1 1   13   21    8 o  110.182   5.8179  1454.60  150.833  1657.70  213.547  1252.40  213.075  116.991   7.7743  101.165   9.0139 15.82529 11.90333 
1 1 1   13   21    9 o   45.514   2.6645  246.067   28.512  284.700   40.445  207.900   40.200   48.865   3.5288   41.626   4.1450 7.239452 5.443645 
1 1 1   13   21   10 o   38.629   2.4776  177.342   22.480  189.200   31.803  165.500   31.781   39.792   3.4178   37.161   3.6697 2.631527 5.014819 
1 1 1   13   21   11 o  138.918   7.3894  2338.84  241.526  2607.00  341.891  2071.70  341.247  145.139   10.037  128.476   11.365 16.66243 15.16319 
1 1 1   13   21   12 o   26.209   1.9829   81.717   12.181   75.800   17.109   87.800   17.347   25.117   2.9403   27.084   2.7506 -1.966108 4.026265 
1 1 1   13   21   13 o   33.899   2.3118  136.678   18.395  163.200   26.001  110.100   26.029   36.973   3.0041   30.206   3.7283 6.766911 4.788033 
1 1 1   13   21   14 o   71.626   4.0234  613.044   67.774  592.800   95.714  633.400   95.979   69.965   5.8470   72.393   5.6596 -2.427406 8.137486 
1 1 1   13   21   15 o  111.725   6.1440  1511.84  161.470  1492.60  227.702  1531.30  229.008  109.532   8.8801  110.995   8.8099 -1.463081 12.50884 
1 1 1   13   21   16 o   58.032   3.4345  402.090   46.855  415.400   66.041  388.600   66.487   58.682   4.8082   56.690   5.0186 1.991936 6.950131 
1 1 1   13   21   17 o   85.342   6.9048  894.400  137.954  894.400  137.954   0.0000   0.0000   85.342   6.9048  ?   ?  0.000000 6.904755 
1 1 1   13   21   18 o   56.745   3.2477  384.551   43.337  363.300   61.076  406.100   61.502   54.787   4.7685   58.015   4.5252 -3.227695 6.573891 
1 1 1   13   21   19 o  120.274   6.9180  1783.78  195.650  2026.60  276.449  1540.10  276.934  126.059   9.3538  108.319   10.979 17.73991 14.42314 
1 1 1   13   21   20 o   98.758   5.6945  1189.33  132.234  1343.50  186.810  1034.50  187.205  103.663   7.6863   90.032   8.9231 13.63042 11.77713 
1 1 1   13   21   21 o   64.503   3.7013  499.389   56.140  494.600   79.307  504.200   79.480   63.641   5.3263   64.277   5.2833 -0.6355896 7.502146 
1 1 1   13   21   22 o   80.481   4.5512  783.762   86.138  823.800  121.799  743.700  121.835   81.585   6.3728   77.283   6.7438 4.302505 9.278557 
1 1 1   13   21   23 o   42.468   2.6438  215.434   26.381  204.700   37.280  226.200   37.337   41.115   3.8859   43.289   3.6878 -2.173893 5.357236 
1 1 1   13   21   24 o   27.389   2.0319   89.494   13.048  107.300   18.456   71.700   18.449   29.907   2.6404   24.270   3.3052 5.637791 4.230392 
1 1 1   13   21   25 o   79.878   4.4971  775.824   84.479  831.100  119.554  720.700  119.390   81.603   6.2519   75.620   6.7572 5.982750 9.205724 
1 1 1   13   21   26 o   8.8502   1.6581   9.5850   3.3379   13.800   4.7290   5.4000   4.7122   10.616   1.9586   7.0088   2.3825 3.607117 3.084233 
1 1 1   13   21   27 o   77.705   4.3994  737.982   80.393  835.900  113.732  640.200  113.653   81.597   5.9435   70.631   6.9025 10.96587 9.108810 
1 1 1   13   21   28 o   37.695   2.4568  170.397   21.749  190.600   30.760  150.200   30.754   39.633   3.3172   35.005   3.7807 4.628513 5.029672 
1 1 1   13   21   29 o   76.997   4.4655  732.665   80.842  774.400  114.308  690.900  114.348   77.494   6.3012   72.748   6.7328 4.746521 9.221480 
1 1 1   13   21   30 o   69.410   4.0367  594.072   65.876  625.200   93.205  563.000   93.120   69.766   5.7076   65.856   6.0559 3.909805 8.321741 
1 1 1   13   21   31 o   54.133   3.1131  356.393   39.626  420.100   56.132  293.100   55.949   58.170   4.1130   47.968   5.0135 10.20198 6.484704 
1 1 1   13   21   32 o   41.275   2.6352  206.244   25.550  209.500   36.168  203.000   36.099   41.079   3.7706   40.401   3.8296 0.6776505 5.374328 
1 1 1   13   21   33 o   45.623   2.8172  253.116   30.202  281.000   42.738  225.300   42.685   47.500   3.8433   42.197   4.3460 5.302467 5.801576 
1 1 1   13   21   34 o   29.211   2.0441  102.684   14.011  113.400   19.876   92.100   19.753   30.464   2.7942   27.313   3.1185 3.150246 4.187163 
1 1 1   13   21   35 o   33.874   2.1462  138.277   17.079  158.200   24.259  118.700   24.048   35.960   2.8811   30.924   3.3465 5.035431 4.415900 
1 1 1   13   21   36 o   48.363   2.9745  286.593   33.805  277.200   47.419  296.300   48.205   46.607   4.3593   48.265   4.2738 -1.657780 6.104790 
1 1 1   13   21   37 o   41.659   2.6706  212.067   26.133  206.700   36.679  217.600   37.242   40.375   3.8956   41.467   3.8471 -1.092876 5.475039 
1 1 1   13   21   38 o   27.865   2.0856   94.132   13.624   91.300   19.045   97.100   19.497   27.054   3.0334   27.923   3.0042 -0.8684349 4.269258 
1 1 1   13   21   39 o   17.090   1.7699   35.443   7.0391   33.700   9.8002   37.300   10.117   16.402   2.6183   17.296   2.5539 -0.8935833 3.657599 
1 1 1   13   21   40 o   50.694   3.3028  325.717   39.321  352.700   55.438  298.400   55.781   51.108   4.6443   46.285   5.1932 4.822598 6.967007 
1 1 1   13   21   41 o   15.610   1.7483   29.735   6.3337   28.800   8.8890   30.700   9.0270   15.079   2.5897   15.599   2.5380 -0.5195274 3.626036 
1 1 1   13   21   42 o   14.818   2.5861   27.900   8.7201   27.900   8.7201   0.0000   0.0000   14.818   2.5861  ?   ?  0.000000 2.586130 
1 1 1   13   21   43 o   27.150   3.1669   95.100   19.922   95.100   19.922   0.0000   0.0000   27.150   3.1669  ?   ?  0.000000 3.166936 
1 1 1   13   21   44 o   15.115   2.7245   29.500   9.3668   29.500   9.3668   0.0000   0.0000   15.115   2.7245  ?   ?  0.000000 2.724549 
1 1 1   13   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   21   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22    0 o   82.811   6.6784  831.300  128.639  831.300  128.639  831.300  128.639   82.811   6.6784   82.811   6.6784 0.000000 0.000000 
1 1 1   13   22    1 o  143.816   7.7973  2499.33  263.806  2445.70  372.834  2553.10  373.324  140.490   11.335  143.702   11.087 -3.211975 15.85602 
1 1 1   13   22    2 o  127.857   6.7578  1965.58  203.303  1726.30  287.263  2205.70  287.767  118.343   10.385  134.492   9.1149 -16.14931 13.81744 
1 1 1   13   22    3 o   36.954   2.4106  162.243   20.920  150.400   29.576  174.100   29.594   35.433   3.5841   38.185   3.3150 -2.751808 4.882112 
1 1 1   13   22    4 o   45.486   2.6920  245.760   28.786  286.300   40.780  205.500   40.639   49.007   3.5479   41.378   4.2182 7.628666 5.511895 
1 1 1   13   22    5 f  174.410   9.2695  3713.69  380.390  4224.70  538.380  3204.30  537.526  183.644   12.489  158.217   14.550 25.42633 19.17548 
1 1 1   13   22    6 o   96.431   5.1438  1112.01  116.706  1312.30  165.187  912.400  164.908  104.322   6.7416   86.460   8.1742 17.86204 10.59560 
1 1 1   13   22    7 o   43.765   2.6987  227.662   27.754  244.300   39.295  211.100   39.206   45.214   3.7133   41.963   4.0053 3.251099 5.461716 
1 1 1   13   22    8 o   37.513   2.3236  167.165   20.481  202.900   29.061  131.900   28.870   41.268   3.0028   33.116   3.7584 8.151981 4.810605 
1 1 1   13   22    9 o  109.565   5.9828  1444.04  154.202  1550.80  218.132  1337.40  218.016  112.631   8.2592  104.244   8.9434 8.387039 12.17371 
1 1 1   13   22   10 o  130.572   6.9093  2064.04  212.275  2306.90  300.550  1822.30  299.854  136.672   9.3692  120.636   10.635 16.03590 14.17337 
1 1 1   13   22   11 f   71.860   3.9965  616.516   67.547  589.600   95.117  643.900   95.940   69.835   5.8210   73.061   5.6037 -3.225693 8.079937 
1 1 1   13   22   12 f   27.932   2.0515   92.824   13.437   82.600   18.979  103.100   19.026   26.196   3.1300   29.359   2.7774 -3.162668 4.184635 
1 1 1   13   22   13 o   70.803   3.9945  599.314   66.512  587.900   93.713  610.900   94.416   69.664   5.7481   71.045   5.6754 -1.380363 8.077755 
1 1 1   13   22   14 o   91.877   5.1802  1016.77  111.928  1074.30  158.055  958.900  158.526   93.600   7.2065   88.173   7.6908 5.426338 10.53954 
1 1 1   13   22   15 o   66.979   3.8771  536.835   61.059  591.600   86.284  481.900   86.418   69.943   5.2628   62.893   5.8873 7.049290 7.896724 
1 1 1   13   22   16 o   33.937   2.2904  137.124   18.247  155.200   25.824  119.100   25.787   36.003   3.0668   31.422   3.5368 4.580353 4.681293 
1 1 1   13   22   17 o   35.358   2.3294  148.895   19.340  143.700   27.210  154.200   27.495   34.567   3.3766   35.836   3.2858 -1.268578 4.711457 
1 1 1   13   22   18 o   48.958   2.9869  286.241   34.366  293.200   48.459  279.200   48.744   49.283   4.2043   48.048   4.3431 1.234859 6.044779 
1 1 1   13   22   19 o   52.970   3.2231  335.661   40.123  356.500   56.593  314.600   56.894   54.281   4.4545   50.871   4.7928 3.410229 6.543151 
1 1 1   13   22   20 o   41.957   3.7820  212.400   37.068  212.400   37.068   0.0000   0.0000   41.957   3.7820  ?   ?  0.000000 3.782042 
1 1 1   13   22   21 o   22.134   1.8693   58.464   9.6785   67.300   13.676   49.600   13.698   23.671   2.4838   20.195   2.9603 3.475330 3.864326 
1 1 1   13   22   22 o   29.007   2.1098  100.363   14.353  106.500   20.276   94.200   20.320   29.752   2.9238   27.922   3.1360 1.829338 4.287566 
1 1 1   13   22   23 o   30.816   2.1930  113.324   15.854  124.200   22.396  102.400   22.445   32.129   2.9861   29.076   3.3291 3.052868 4.472118 
1 1 1   13   22   24 o   69.095   3.9973  577.340   64.941  607.700   91.780  546.900   91.902   70.118   5.5896   66.311   5.9318 3.806877 8.150435 
1 1 1   13   22   25 o   11.185   1.5644   15.108   4.0189   20.100   5.9422   10.900   5.4560   12.857   2.0242   9.3947   2.4382 3.462069 3.168955 
1 1 1   13   22   26 o   61.759   3.6159  461.413   52.504  468.800   74.185  454.000   74.318   61.504   5.1555   60.463   5.2576 1.041180 7.363524 
1 1 1   13   22   27 o   35.913   2.3842  154.548   20.104  165.000   28.434  144.100   28.429   36.871   3.3008   34.361   3.5551 2.509678 4.851192 
1 1 1   13   22   28 o   66.876   3.8926  546.793   61.205  541.300   86.505  552.300   86.609   65.312   5.6652   66.021   5.6086 -0.7091675 7.971827 
1 1 1   13   22   29 o   40.869   2.6031  201.289   24.991  225.900   35.350  176.700   35.334   42.958   3.5157   37.747   4.0263 5.210670 5.345179 
1 1 1   13   22   30 o   63.345   3.7158  492.970   55.339  475.400   78.194  510.600   78.327   60.819   5.5043   63.233   5.2945 -2.413361 7.637377 
1 1 1   13   22   31 o   38.349   2.4081  177.322   21.696  204.300   30.757  150.600   30.610   40.854   3.2142   34.795   3.7867 6.058914 4.966915 
1 1 1   13   22   32 o   20.934   1.8339   52.694   8.9742   53.400   12.743   52.000   12.640   20.877   2.6443   20.592   2.6618 0.2847672 3.751980 
1 1 1   13   22   33 o   27.362   2.0648   90.160   13.243   88.700   18.794   91.600   18.663   26.845   3.0171   27.312   2.9402 -0.4674072 4.212787 
1 1 1   13   22   34 o   49.531   3.0432  300.295   35.422  314.800   50.103  285.800   50.085   49.862   4.2973   47.313   4.5386 2.548611 6.250256 
1 1 1   13   22   35 o   30.790   2.0477  114.191   14.803  129.700   21.044   99.000   20.827   32.568   2.7624   28.264   3.1755 4.304567 4.208894 
1 1 1   13   22   36 o   58.005   3.3506  416.868   45.698  467.400   64.712  366.600   64.543   60.224   4.5848   52.613   5.2658 7.610962 6.982028 
1 1 1   13   22   37 o   20.808   1.9135   52.422   9.2968   56.500   12.961   48.100   13.342   21.387   2.6214   19.583   2.9793 1.803841 3.968372 
1 1 1   13   22   38 o   34.735   2.4405  147.657   19.890  157.600   27.981  137.500   28.280   35.324   3.3964   32.766   3.7210 2.558239 5.038006 
1 1 1   13   22   39 o   44.121   2.8676  241.886   29.714  245.600   41.823  238.100   42.223   43.326   4.1382   42.533   4.2613 0.7930603 5.939984 
1 1 1   13   22   40 o   28.198   2.2006   97.464   14.536  110.100   20.427   84.500   20.691   29.551   2.9674   25.525   3.5270 4.025843 4.609221 
1 1 1   13   22   41 o   19.645   1.8866   47.144   8.6444   54.800   12.190   39.400   12.260   20.936   2.5162   17.461   3.0863 3.475065 3.981963 
1 1 1   13   22   42 o   26.465   3.1663   90.000   19.394   90.000   19.394   0.0000   0.0000   26.465   3.1663  ?   ?  0.000000 3.166252 
1 1 1   13   22   43 o   24.374   3.0287   76.500   17.056   76.500   17.056   0.0000   0.0000   24.374   3.0287  ?   ?  0.000000 3.028661 
1 1 1   13   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   22   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23    0 o   76.323   6.2153  706.500  110.307  706.500  110.307  706.500  110.307   76.323   6.2153   76.323   6.2153 0.000000 0.000000 
1 1 1   13   23    1 o   83.073   4.5161  823.824   88.257  726.600  124.701  921.400  124.927   77.426   6.8927   87.491   6.0847 -10.06566 9.194154 
1 1 1   13   23    2 o   19.399   1.7890   44.867   8.1026   40.100   11.420   49.700   11.498   18.200   2.7422   20.347   2.4419 -2.147125 3.671893 
1 1 1   13   23    3 o   79.715   4.4369  758.639   83.187  741.700  117.608  775.600  117.682   78.348   6.4131   80.170   6.2661 -1.822121 8.966190 
1 1 1   13   23    4 o   56.175   3.3007  375.565   43.591  378.900   61.513  372.200   61.781   56.201   4.6776   55.686   4.7436 0.5153198 6.661927 
1 1 1   13   23    5 o   75.477   3.9344  678.961   69.880  786.300   99.122  572.900   98.530   80.966   5.2122   68.838   6.1255 12.12844 8.042935 
1 1 1   13   23    6 o   65.482   3.7422  511.098   57.625  519.200   81.504  503.000   81.484   65.693   5.2992   64.633   5.3880 1.059868 7.557269 
1 1 1   13   23    7 o   62.580   3.6047  466.748   53.043  468.400   75.064  465.100   74.964   62.393   5.1406   62.169   5.1529 0.2243805 7.278653 
1 1 1   13   23    8 o   84.925   4.6619  863.246   93.132  781.200  131.586  945.600  131.832   80.078   7.0299   88.393   6.3585 -8.314552 9.478889 
1 1 1   13   23    9 o   22.228   1.8648   58.850   9.6976   66.300   13.714   51.400   13.714   23.526   2.5073   20.621   2.8964 2.905460 3.830919 
1 1 1   13   23   10 o   40.976   2.5658  199.732   24.701  190.700   34.803  208.900   35.064   39.863   3.7410   41.763   3.5905 -1.899891 5.185265 
1 1 1   13   23   11 o   67.866   3.8530  550.292   61.491  539.200   86.739  561.500   87.187   66.754   5.5530   68.155   5.4633 -1.400902 7.790009 
1 1 1   13   23   12 o  107.217   5.7885  1389.72  146.009  1304.40  205.911  1476.00  207.070  102.439   8.5918  109.317   8.0789 -6.878517 11.79355 
1 1 1   13   23   13 o   92.879   5.1366  1039.40  112.218  1019.70  158.300  1059.30  159.105   91.003   7.4314   92.820   7.3184 -1.816833 10.42996 
1 1 1   13   23   14 o  106.840   5.8052  1384.10  145.908  1321.60  205.688  1447.40  207.010  102.837   8.5477  107.889   8.1866 -5.051590 11.83570 
1 1 1   13   23   15 o   74.960   4.3063  675.083   75.904  768.000  107.268  581.900  107.422   79.444   5.7571   68.723   6.7050 10.72140 8.837436 
1 1 1   13   23   16 f   20.353   1.8379   49.444   8.7380   47.500   12.340   51.400   12.375   19.817   2.7079   20.647   2.5956 -0.8302860 3.750992 
1 1 1   13   23   17 o   40.281   2.5975  193.497   24.575  197.600   34.561  189.300   34.951   40.513   3.6519   39.618   3.7819 0.8947525 5.257310 
1 1 1   13   23   18 o   12.790   1.7723   19.737   5.2087   27.000   7.2989   12.200   7.4355   14.942   2.1288   10.040   2.9448 4.902675 3.633676 
1 1 1   13   23   19 o   46.048   2.7375  253.092   29.633  338.000   41.971  168.700   41.843   53.103   3.3645   37.060   4.9017 16.04228 5.945281 
1 1 1   13   23   20 o   78.957   4.4789  753.873   83.163  771.300  117.534  736.400  117.686   78.937   6.3594   77.023   6.5321 1.914055 9.116509 
1 1 1   13   23   21 o   33.921   2.2068  137.167   17.580  118.600   24.775  156.000   24.951   31.312   3.4056   36.054   2.9567 -4.742130 4.509985 
1 1 1   13   23   22 o   12.819   1.7506   19.832   5.1609   20.100   6.9403   19.500   7.7187   12.802   2.3835   12.562   2.6835 0.2397652 3.589237 
1 1 1   13   23   23 o   31.003   2.1610  114.725   15.722  111.900   22.138  117.600   22.332   30.437   3.1244   31.222   3.0686 -0.7853603 4.379280 
1 1 1   13   23   24 o   28.353   2.0753   95.995   13.798   94.300   19.482   97.700   19.543   27.928   3.0012   28.443   2.9528 -0.5147438 4.210280 
1 1 1   13   23   25 o   17.865   1.7714   38.239   7.3740   42.900   10.385   33.500   10.472   18.829   2.3896   16.524   2.7828 2.304995 3.668002 
1 1 1   13   23   26 o   39.382   2.5594  186.077   23.672  197.400   33.438  174.700   33.517   40.277   3.5521   37.788   3.8081 2.489166 5.207600 
1 1 1   13   23   27 o   36.722   2.4123  161.824   20.801  144.800   29.395  178.900   29.440   34.355   3.6807   38.364   3.2814 -4.008198 4.931020 
1 1 1   13   23   28 o   22.249   1.8694   59.346   9.7305   57.000   13.749   61.700   13.773   21.609   2.7573   22.525   2.6395 -0.9157314 3.817029 
1 1 1   13   23   29 o   29.514   2.1348  104.604   14.778  117.800   20.896   91.400   20.902   31.125   2.8755   27.248   3.3171 3.877714 4.389954 
1 1 1   13   23   30 o   20.757   1.8296   51.750   8.8759   54.500   12.552   49.000   12.552   21.137   2.5677   19.983   2.7316 1.153402 3.748986 
1 1 1   13   23   31 o   41.533   2.6430  208.937   25.787  223.700   36.484  194.200   36.452   42.495   3.6719   39.418   3.9702 3.076454 5.407890 
1 1 1   13   23   32 o   9.4225   1.6865   10.894   3.6146  10.0000   5.0945   11.800   5.1292   8.9606   2.3709   9.7236   2.2744 -0.7630949 3.285462 
1 1 1   13   23   33 o   5.3591   1.6329   3.4349   2.2529   4.0000   3.4163   3.0000   2.9968   5.9904   2.0286   5.3621   1.8958 0.6282735 2.776595 
1 1 1   13   23   34 o   35.168   2.3291  149.559   19.233  173.400   27.223  125.800   27.175   37.549   3.0978   31.668   3.7040 5.881390 4.828704 
1 1 1   13   23   35 o   43.546   2.5832  230.525   26.444  274.000   37.517  187.600   37.279   47.004   3.4031   38.379   4.1810 8.625076 5.390960 
1 1 1   13   23   36 o   32.724   2.2156  129.797   17.020  139.000   24.140  120.700   24.001   33.472   3.0891   31.055   3.3245 2.416723 4.538136 
1 1 1   13   23   37 o   17.473   1.6808   36.887   6.8494   39.800   9.7961   34.100   9.5806   17.965   2.3668   16.556   2.5310 1.408710 3.465207 
1 1 1   13   23   38 o   40.188   2.5720  198.499   24.280  184.700   33.976  212.900   34.709   37.853   3.8549   40.844   3.6367 -2.991257 5.299614 
1 1 1   13   23   39 o   10.628   1.9356   14.055   4.6787   19.000   6.3298   8.1000   6.9467   12.307   2.2615   8.3708   2.8913 3.936021 3.670673 
1 1 1   13   23   40 o   23.587   2.0465   68.094   11.285   78.200   15.812   57.600   16.113   24.962   2.7268   21.067   3.3512 3.895271 4.320416 
1 1 1   13   23   41 o   20.102   2.8174   51.300   13.007   51.300   13.007   0.0000   0.0000   20.102   2.8174  ?   ?  0.000000 2.817412 
1 1 1   13   23   42 o   23.740   2.9808   72.200   16.342   72.200   16.342   0.0000   0.0000   23.740   2.9808  ?   ?  0.000000 2.980810 
1 1 1   13   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   23   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24    0 o   35.420   3.4492  152.700   28.221  152.700   28.221  152.700   28.221   35.420   3.4492   35.420   3.4492 0.000000 0.000000 
1 1 1   13   24    1 o  101.718   5.4146  1242.11  129.587  1085.30  183.069  1399.60  183.460   93.991   8.3348  107.292   7.2844 -13.30076 11.06935 
1 1 1   13   24    2 o   45.323   2.7804  244.344   29.613  236.300   41.862  252.400   41.896   44.383   4.0385   45.905   3.9020 -1.521709 5.615597 
1 1 1   13   24    3 o   23.712   1.9014   66.927   10.557   69.900   14.988   64.000   14.872   24.143   2.6739   23.073   2.7861 1.070370 3.861585 
1 1 1   13   24    4 o  101.220   5.4492  1231.10  129.766  1355.10  183.699  1107.60  183.335  105.442   7.4253   94.920   8.2619 10.52233 11.10826 
1 1 1   13   24    5 o   38.388   2.5080  175.293   22.610  188.200   31.922  162.300   32.029   39.657   3.4430   36.757   3.7423 2.899731 5.085141 
1 1 1   13   24    6 o   53.916   3.1728  346.231   40.216  359.400   56.916  333.100   56.832   54.710   4.4440   52.621   4.6205 2.088940 6.410743 
1 1 1   13   24    7 o   80.176   4.4864  769.737   84.597  786.500  119.683  753.000  119.593   80.490   6.3485   78.697   6.4936 1.792915 9.081275 
1 1 1   13   24    8 o   26.439   2.0062   83.196   12.432   85.200   17.597   81.200   17.566   26.652   2.8398   26.001   2.9109 0.6507549 4.066706 
1 1 1   13   24    9 f   27.869   2.0463   92.431   13.372   87.600   18.687   97.500   19.143   27.004   2.9802   28.521   2.8820 -1.517162 4.145785 
1 1 1   13   24   10 o   21.447   1.9095   54.861   9.5689   60.200   13.397   49.300   13.673   22.386   2.5816   20.167   2.9590 2.218912 3.926884 
1 1 1   13   24   11 o   38.804   2.3531  179.092   21.460  146.100   30.036  213.500   30.673   34.825   3.7095   42.277   3.0939 -7.452259 4.830440 
1 1 1   13   24   12 o   90.353   4.6921  981.560   99.766  1249.10  141.339  715.900  140.842  101.429   5.9269   75.795   7.9895 25.63403 9.947888 
1 1 1   13   24   13 o  115.573   6.1780  1627.20  167.992  1504.80  236.762  1751.30  238.399  109.045   9.2832  118.238   8.5974 -9.193100 12.65280 
1 1 1   13   24   14 o   33.881   2.2918  136.736   18.228  153.100   25.789  120.400   25.768   35.740   3.0860   31.585   3.5145 4.155750 4.677125 
1 1 1   13   24   15 o   40.981   2.4892  200.074   23.974  177.000   33.671  223.800   34.144   38.306   3.7713   43.198   3.3740 -4.892056 5.060250 
1 1 1   13   24   16 o   55.589   3.0146  368.902   39.423  311.100   55.401  428.200   56.113   50.627   4.6873   59.662   4.0062 -9.034569 6.166061 
1 1 1   13   24   17 o   32.169   2.2254  123.339   16.801  121.000   23.706  125.700   23.816   31.700   3.2112   32.326   3.1604 -0.6254654 4.505550 
1 1 1   13   24   18 o   63.847   3.6941  489.496   55.456  546.400   78.430  432.600   78.424   67.017   4.9918   59.331   5.6665 7.685970 7.551677 
1 1 1   13   24   19 o   65.311   3.4822  511.541   53.510  424.000   75.352  600.600   76.002   58.754   5.4950   70.392   4.5976 -11.63763 7.164719 
1 1 1   13   24   20 o   30.683   2.1613  112.290   15.560  105.600   21.988  119.000   22.022   29.569   3.2001   31.449   3.0018 -1.879704 4.387664 
1 1 1   13   24   21 o   34.853   2.3322  145.000   19.083  159.000   26.988  131.000   26.988   36.342   3.1768   32.882   3.5311 3.460175 4.749777 
1 1 1   13   24   22 o   81.665   4.4707  810.439   85.887  745.100  121.221  876.300  121.704   76.920   6.7419   83.858   6.1898 -6.938065 9.152413 
1 1 1   13   24   23 o   79.163   4.5498  764.011   84.693  815.300  119.702  712.600  119.845   80.614   6.3394   74.975   6.8448 5.638817 9.329450 
1 1 1   13   24   24 o   48.435   2.9516  281.904   33.597  319.600   47.510  244.200   47.515   51.237   3.9575   44.511   4.5863 6.725983 6.057741 
1 1 1   13   24   25 o   7.0142   1.7786   6.0682   2.9502   5.9000   3.8753   6.3000   4.5497   7.0278   2.1416   7.3375   2.3338 -0.3096595 3.167538 
1 1 1   13   24   26 o   52.554   3.0243  333.334   37.372  297.400   52.696  369.700   53.011   48.927   4.6155   54.857   4.1225 -5.929726 6.188536 
1 1 1   13   24   27 o   62.726   3.7208  481.437   54.865  516.500   77.550  446.300   77.632   63.949   5.1800   59.072   5.6337 4.877525 7.653186 
1 1 1   13   24   28 o   47.281   2.9276  270.764   32.525  279.400   45.961  262.100   46.035   47.445   4.1440   45.856   4.3016 1.588226 5.972960 
1 1 1   13   24   29 o   36.320   2.4452  159.087   20.849  166.600   29.414  151.500   29.557   36.811   3.4231   35.003   3.6287 1.807438 4.988507 
1 1 1   13   24   30 o   12.147   1.6796   17.896   4.6886   17.000   6.6161   18.800   6.6453   11.677   2.4763   12.313   2.3715 -0.6366844 3.428717 
1 1 1   13   24   31 o   18.850   1.7834   42.753   7.8439   42.000   11.112   43.500   11.074   18.485   2.6191   18.834   2.5559 -0.3497276 3.659580 
1 1 1   13   24   32 o   15.969   1.7070   30.744   6.3372   32.400   8.9779   29.100   8.9465   16.238   2.4149   15.335   2.5609 0.9027576 3.519955 
1 1 1   13   24   33 f   15.781   1.6834   30.030   6.1763   34.600   8.7541   25.500   8.7154   16.823   2.2609   14.296   2.6801 2.526698 3.506374 
1 1 1   13   24   34 o   26.049   1.9786   81.755   12.080   88.000   17.146   75.600   17.022   26.791   2.7493   24.733   2.9741 2.057581 4.050179 
1 1 1   13   24   35 o   41.986   2.6837  215.394   26.469  232.100   37.439  198.700   37.425   42.933   3.7300   39.469   4.0742 3.464664 5.523767 
1 1 1   13   24   36 o   26.956   1.9863   87.876   12.554   95.400   17.843   80.500   17.666   27.797   2.7547   25.409   3.0024 2.388275 4.074634 
1 1 1   13   24   37 o   14.664   1.7037   26.119   5.7897   24.300   8.2315   27.900   8.1449   13.888   2.6058   14.975   2.3832 -1.087182 3.531290 
1 1 1   13   24   38 o   4.8514   1.7429   2.4063   2.5425   1.9000   3.0341   3.6000   4.6589   4.8517   1.8713   6.2179   2.3376 -1.366142 2.994361 
1 1 1   13   24   39 o   28.085   2.0980   96.409   13.813   90.300   19.317  102.800   19.759   26.632   3.1314   28.530   2.9768 -1.897738 4.320525 
1 1 1   13   24   40 o   20.375   1.9477   50.779   9.2566   48.200   13.166   53.300   13.017   19.417   2.9655   20.539   2.7533 -1.122133 4.046552 
1 1 1   13   24   41 o   11.571   2.8147   17.400   7.6169   17.400   7.6169   0.0000   0.0000   11.571   2.8147  ?   ?  0.000000 2.814652 
1 1 1   13   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   24   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25    0 o   61.046   5.1322  452.400   72.778  452.400   72.778  452.400   72.778   61.046   5.1322   61.046   5.1322 0.000000 0.000000 
1 1 1   13   25    1 o   20.336   1.7874   49.293   8.4961   43.500   11.957   55.200   12.074   18.959   2.7511   21.451   2.4264 -2.491720 3.668212 
1 1 1   13   25    2 o   81.486   4.5316  795.472   86.852  835.300  122.869  755.700  122.785   82.950   6.3204   78.755   6.6650 4.195236 9.185257 
1 1 1   13   25    3 o  132.623   6.9210  2139.34  215.993  2588.10  305.754  1692.30  305.168  144.471   9.0074  115.064   11.381 29.40663 14.51385 
1 1 1   13   25    4 o   39.747   2.5222  187.969   23.549  176.000   33.260  200.000   33.348   38.276   3.7272   40.865   3.4893 -2.589378 5.105579 
1 1 1   13   25    5 o   34.560   2.3340  142.122   18.936  147.800   26.729  136.400   26.831   35.120   3.2601   33.701   3.4189 1.419659 4.724135 
1 1 1   13   25    6 o   27.434   2.0307   89.576   13.062   97.800   18.499   81.400   18.446   28.580   2.7762   26.005   3.0625 2.574697 4.133559 
1 1 1   13   25    7 o   76.110   4.2074  693.688   75.324  632.300  106.384  755.400  106.664   72.014   6.3199   78.959   5.7605 -6.945679 8.551302 
1 1 1   13   25    8 o   21.945   1.8693   57.404   9.5945   54.700   13.458   60.200   13.682   21.299   2.7393   22.376   2.6404 -1.077105 3.804689 
1 1 1   13   25    9 o   48.423   2.9854  279.596   33.970  325.700   47.991  233.300   48.091   52.100   3.9297   43.874   4.7159 8.226513 6.138612 
1 1 1   13   25   10 f   29.785   2.1648  105.651   15.122  133.800   21.366   77.400   21.405   33.464   2.7276   25.218   3.7050 8.246008 4.600786 
1 1 1   13   25   11 o   80.847   4.5631  786.531   86.757  793.300  122.414  779.700  122.975   80.427   6.5013   79.688   6.5945 0.7391663 9.260336 
1 1 1   13   25   12 o   10.704   1.6975   13.892   4.1475   13.000   5.8395   14.800   5.8917   10.264   2.4444   10.964   2.3465 -0.7003527 3.388395 
1 1 1   13   25   13 o   17.718   1.7783   37.534   7.3395   36.500   10.300   38.600   10.462   17.345   2.5944   17.854   2.5542 -0.5088558 3.640721 
1 1 1   13   25   14 o   18.337   1.8042   40.195   7.7111   43.200   10.826   37.100   10.987   18.917   2.4835   17.459   2.7563 1.457935 3.710123 
1 1 1   13   25   15 o   82.674   4.6858  825.911   91.102  837.900  128.510  813.800  129.167   82.322   6.6682   81.044   6.8127 1.278793 9.532928 
1 1 1   13   25   16 o   52.885   3.1615  334.615   39.300  344.900   55.538  324.300   55.619   53.358   4.4484   51.681   4.6058 1.676228 6.403253 
1 1 1   13   25   17 o   35.184   2.3514  147.632   19.423  145.100   27.371  150.200   27.567   34.694   3.3841   35.312   3.3459 -0.6180458 4.758911 
1 1 1   13   25   18 o   21.697   1.9220   56.241   9.7455   60.300   13.634   52.000   13.935   22.364   2.6321   20.690   2.9346 1.674570 3.942082 
1 1 1   13   25   19 o   60.824   3.5331  444.457   50.526  437.100   71.250  451.900   71.662   59.766   5.0973   60.800   5.0367 -1.034843 7.165961 
1 1 1   13   25   20 o   90.727   5.0997  1005.97  108.812  1057.80  153.929  954.200  153.838   91.553   7.1776   86.597   7.6000 4.956345 10.45362 
1 1 1   13   25   21 o   41.311   2.5724  204.037   24.969  226.000   35.363  182.200   35.261   43.267   3.4910   38.705   3.9117 4.561687 5.242911 
1 1 1   13   25   22 o   8.9319   1.6751   9.7640   3.4033   7.7000   4.7196   12.000   4.9122   7.9801   2.3477   9.8578   2.1691 -1.877742 3.196376 
1 1 1   13   25   23 o   32.057   2.2271  122.901   16.754  127.700   23.690  118.100   23.697   32.483   3.1272   31.192   3.2657 1.290895 4.521491 
1 1 1   13   25   24 o   21.257   1.8186   54.064   9.0407   49.200   12.738   59.000   12.833   20.093   2.7574   22.090   2.5045 -1.996429 3.725042 
1 1 1   13   25   25 o   26.652   2.0219   85.052   12.630   89.300   17.858   80.800   17.865   27.137   2.8283   25.758   2.9930 1.379425 4.117904 
1 1 1   13   25   26 o   18.573   1.7547   41.385   7.6044   38.800   10.723   44.000   10.786   17.800   2.6303   19.017   2.4596 -1.216949 3.601125 
1 1 1   13   25   27 o   28.677   2.0986   98.698   14.112  105.300   19.961   92.100   19.954   29.411   2.9125   27.420   3.1383 1.990835 4.281531 
1 1 1   13   25   28 o   12.358   1.6668   18.492   4.7397   17.700   6.6689   19.300   6.7374   11.933   2.4487   12.488   2.3714 -0.5550146 3.408749 
1 1 1   13   25   29 o   54.858   3.2702  368.054   42.169  351.400   59.554  384.800   59.719   52.525   4.8565   55.162   4.6275 -2.636765 6.708176 
1 1 1   13   25   30 o   32.609   2.2738  128.217   17.399  132.900   24.562  123.500   24.651   32.872   3.2050   31.619   3.3527 1.253456 4.638200 
1 1 1   13   25   31 o   40.819   2.6477  202.129   25.383  232.800   35.879  171.400   35.913   43.379   3.5334   36.829   4.2050 6.550182 5.492424 
1 1 1   13   25   32 o   13.913   1.6905   23.412   5.4397   26.000   7.6746   20.800   7.7112   14.534   2.3137   12.898   2.6213 1.636582 3.496327 
1 1 1   13   25   33 o   4.6584   1.5827   2.3908   2.0794   6.2000   2.9252  -1.5000   2.9564   7.0686   1.7594   3.6299   1.6355 3.438713 2.402187 
1 1 1   13   25   34 o   24.401   1.9374   71.826   11.072   66.400   15.623   77.300   15.693   23.143   2.9241   25.081   2.6917 -1.937817 3.974375 
1 1 1   13   25   35 o   36.585   2.4619  163.165   21.145  167.100   29.847  159.200   29.960   36.447   3.5115   35.497   3.6252 0.9494781 5.046979 
1 1 1   13   25   36 o   16.766   1.7299   34.050   6.7502   33.900   9.5607   34.200   9.5319   16.497   2.5354   16.578   2.5137 -0.8150482E-01 3.570298 
1 1 1   13   25   37 o   17.677   1.7390   37.893   7.1653   33.500   9.8178   42.900   10.481   16.332   2.6354   18.594   2.4464 -2.262100 3.595882 
1 1 1   13   25   38 o   25.845   1.8760   81.076   11.371   65.700   15.665   98.200   16.532   22.775   2.9846   28.165   2.5120 -5.390123 3.901082 
1 1 1   13   25   39 o   32.571   2.3243  130.596   17.759  129.800   25.051  131.400   25.180   31.758   3.3931   31.958   3.3884 -0.2000637 4.795262 
1 1 1   13   25   40 o   13.457   1.8655   22.314   5.7688   25.200   8.3680   19.700   7.9636   14.062   2.6164   12.342   2.7972 1.719821 3.830115 
1 1 1   13   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   25   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26    0 o   32.215   3.2764  126.700   24.333  126.700   24.333  126.700   24.333   32.215   3.2764   32.215   3.2764 0.000000 0.000000 
1 1 1   13   26    1 o   61.790   3.5440  455.910   51.494  413.600   72.788  498.300   72.858   58.421   5.3352   64.307   4.8333 -5.885792 7.198934 
1 1 1   13   26    2 o  116.212   6.3310  1640.70  173.080  1766.90  244.919  1514.80  244.626  119.104   8.7700  109.718   9.5368 9.385605 12.95623 
1 1 1   13   26    3 o  112.500   6.2988  1537.89  166.658  1669.80  235.524  1405.60  235.855  115.799   8.6763  105.611   9.5611 10.18788 12.91099 
1 1 1   13   26    4 o   40.301   2.4698  193.264   23.391  158.000   33.016  228.800   33.144   36.188   3.9267   43.751   3.2310 -7.562550 5.085068 
1 1 1   13   26    5 o   87.502   4.8615  921.460  100.053  879.900  141.428  963.100  141.565   84.576   7.1485   88.668   6.8134 -4.092026 9.875391 
1 1 1   13   26    6 o  107.391   5.8745  1398.95  148.407  1511.90  210.016  1286.30  209.741  110.345   8.1170  101.263   8.8606 9.082291 12.01654 
1 1 1   13   26    7 o   49.043   2.8351  286.596   32.693  257.800   45.956  316.100   46.518   46.232   4.2574   51.320   3.8670 -5.087383 5.751448 
1 1 1   13   26    8 o  134.617   7.4338  2236.41  235.389  2167.40  332.321  2305.90  333.461  129.275   10.991  133.723   10.649 -4.448563 15.30311 
1 1 1   13   26    9 o   82.978   4.5447  828.750   88.709  767.400  124.999  891.000  125.914   78.922   6.7729   85.314   6.2946 -6.392021 9.246303 
1 1 1   13   26   10 o   93.130   5.2715  1050.72  115.452  1125.30  163.091  975.800  163.458   95.299   7.3029   88.343   7.9197 6.955956 10.77285 
1 1 1   13   26   11 o   65.897   3.4942  519.447   54.178  418.300   76.301  622.300   76.942   58.502   5.5914   71.829   4.5600 -13.32626 7.215024 
1 1 1   13   26   12 o   92.104   5.0578  1027.17  109.581  972.700  154.579  1082.20  155.367   88.330   7.4813   93.441   7.0943 -5.111496 10.31020 
1 1 1   13   26   13 o   50.050   3.0345  299.334   35.694  328.500   50.450  270.100   50.509   52.184   4.1278   47.163   4.5935 5.020950 6.175692 
1 1 1   13   26   14 o   41.374   2.6591  204.318   25.842  209.200   36.298  199.300   36.798   41.654   3.7298   40.612   3.8845 1.041550 5.385222 
1 1 1   13   26   15 o   13.993   1.7472   23.546   5.6473   23.400   7.8863   23.700   8.0907   13.824   2.5082   13.907   2.5580 -0.8246517E-01 3.582560 
1 1 1   13   26   16 o   56.987   3.2796  389.045   43.946  359.500   61.936  419.000   62.364   54.294   4.8831   58.772   4.5286 -4.477730 6.659780 
1 1 1   13   26   17 o   31.139   2.2139  115.679   16.173  122.800   22.825  108.500   22.919   31.943   3.0637   29.961   3.2938 1.981552 4.498363 
1 1 1   13   26   18 o   22.686   1.9435   61.478   10.311   66.800   14.477   56.000   14.689   23.544   2.6501   21.469   2.9776 2.075191 3.986148 
1 1 1   13   26   19 o   17.218   1.7287   35.487   6.9339   38.600   9.8271   32.400   9.7851   17.861   2.3899   16.292   2.6333 1.569016 3.556062 
1 1 1   13   26   20 o   42.774   2.6413  218.868   26.548  245.100   37.603  192.800   37.486   45.042   3.5646   39.778   4.0472 5.263474 5.393165 
1 1 1   13   26   21 o   18.001   1.7271   38.777   7.2511   46.400   10.304   31.300   10.206   19.621   2.2656   15.960   2.8106 3.660996 3.610050 
1 1 1   13   26   22 o   39.886   2.5437  190.622   23.833  216.500   33.723  164.800   33.686   42.281   3.4065   36.686   3.9508 5.595226 5.216667 
1 1 1   13   26   23 o   38.833   2.5146  180.904   22.935  184.500   32.416  177.300   32.453   38.913   3.5675   38.113   3.6506 0.8005638 5.104324 
1 1 1   13   26   24 o   45.828   2.8861  253.268   31.072  273.400   43.869  233.000   44.017   47.190   3.9739   43.371   4.3568 3.818569 5.896889 
1 1 1   13   26   25 o   14.639   1.6466   25.781   5.5933   23.200   7.8090   28.500   8.0154   13.710   2.5043   15.279   2.2924 -1.568454 3.395069 
1 1 1   13   26   26 o   24.232   1.9326   70.425   10.967   76.900   15.539   64.000   15.479   25.162   2.6554   22.856   2.9360 2.306091 3.958671 
1 1 1   13   26   27 o   16.168   1.7143   31.456   6.4450   36.900   9.1096   26.000   9.1197   17.413   2.2694   14.455   2.7726 2.957683 3.582899 
1 1 1   13   26   28 o   14.367   1.6161   24.865   5.3877   16.200   7.5410   33.900   7.7001   11.359   2.8236   16.732   1.9878 -5.373169 3.453116 
1 1 1   13   26   29 f   73.806   4.3620  683.805   75.685  687.500  106.958  680.100  107.111   71.642   6.3895   71.185   6.4419 0.4568863 9.073258 
1 1 1   13   26   30 o   13.168   1.7309   21.020   5.2517   20.000   7.1693   22.200   7.7146   12.678   2.4836   13.362   2.5379 -0.6834068 3.550880 
1 1 1   13   26   31 f   28.368   2.0944   96.949   13.930   95.900   19.686   98.000   19.714   27.912   3.0358   28.231   3.0035 -0.3190937 4.270485 
1 1 1   13   26   32 o   29.842   2.1563  107.450   15.093  125.600   21.345   89.300   21.345   32.030   2.8519   26.733   3.4627 5.297367 4.485907 
1 1 1   13   26   33 o   22.781   1.8720   62.542   9.9810   72.900   14.155   52.300   14.076   24.427   2.4888   20.485   2.9986 3.941639 3.896920 
1 1 1   13   26   34 o   51.916   3.2214  334.324   39.298  354.700   55.542  313.900   55.609   52.268   4.5454   48.812   4.8903 3.456444 6.676523 
1 1 1   13   26   35 o   14.109   1.7152   24.190   5.5968   27.900   7.8730   20.400   7.9578   15.014   2.2935   12.677   2.7383 2.336091 3.571887 
1 1 1   13   26   36 o   37.116   2.4683  168.862   21.510  179.400   30.475  158.400   30.364   37.603   3.4713   35.143   3.7153 2.459969 5.084671 
1 1 1   13   26   37 o   18.107   1.8805   39.971   7.9231   42.900   10.908   36.700   11.528   18.527   2.5618   16.945   2.9903 1.581923 3.937600 
1 1 1   13   26   38 o   5.9095   1.9823   4.0062   3.2617   2.8000   4.0949   6.1000   5.3950   5.6940   2.1796   7.3398   2.5473 -1.645829 3.352489 
1 1 1   13   26   39 o   7.6183   2.0680   7.2965   3.8156   16.000   5.4289  -1.2000   5.3640   11.294   2.1133   5.1484   2.2682 6.145877 3.100108 
1 1 1   13   26   40 o   18.443   2.8433   43.500   11.984   0.0000   0.0000   43.500   11.984  ?   ?    18.443   2.8433 0.000000 2.843283 
1 1 1   13   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   26   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27    0 o   44.188   4.0023  237.500   40.973  237.500   40.973  237.500   40.973   44.188   4.0023   44.188   4.0023 0.000000 0.000000 
1 1 1   13   27    1 o  103.864   5.7484  1309.17  140.436  1270.50  198.539  1347.90  198.675  100.772   8.4206  103.991   8.1561 -3.219383 11.72295 
1 1 1   13   27    2 o   47.412   2.8808  268.048   32.100  266.100   45.371  270.000   45.422   46.995   4.1304   47.347   4.1032 -0.3515396 5.822106 
1 1 1   13   27    3 o   23.896   1.9382   68.059   10.843   70.400   15.305   65.700   15.363   24.199   2.7260   23.347   2.8455 0.8517609 3.940506 
1 1 1   13   27    4 o   22.673   2.0072   61.362   10.636   74.800   14.899   47.400   15.187   24.977   2.5625   19.676   3.3912 5.300905 4.250477 
1 1 1   13   27    5 o  153.169   8.4920  2937.13  305.942  2696.00  432.380  3178.90  432.954  141.348   13.103  155.215   11.903 -13.86778 17.70269 
1 1 1   13   27    6 o   45.417   2.5844  245.649   27.603  208.100   38.659  284.700   39.425   41.530   3.9912   48.752   3.4469 -7.221275 5.273589 
1 1 1   13   27    7 o  138.752   7.9367  2398.28  258.962  2608.00  365.814  2187.60  366.643  141.337   11.049  127.975   12.284 13.36233 16.52147 
1 1 1   13   27    8 o   74.169   4.2678  661.588   74.430  821.400  105.215  501.500  105.306   82.214   5.4506   63.465   7.1514 18.74823 8.991704 
1 1 1   13   27    9 f   44.415   2.7538  235.340   28.740  233.600   40.527  237.100   40.763   44.014   3.9411   44.347   3.9334 -0.3325386 5.568130 
1 1 1   13   27   10 o   9.7925   1.7464   11.693   3.8902   8.4000   4.9348   17.100   6.3227   8.3200   2.3872   11.799   2.3518 -3.479383 3.351088 
1 1 1   13   27   11 o   61.527   3.4237  453.210   49.546  404.100   69.622  503.600   70.523   57.571   5.1766   64.500   4.6617 -6.928394 6.966290 
1 1 1   13   27   12 o   67.406   3.5047  544.233   55.592  460.800   77.904  630.800   79.353   61.383   5.4307   72.190   4.6803 -10.80704 7.169176 
1 1 1   13   27   13 o   79.634   4.5382  766.473   84.985  796.600  120.041  736.200  120.333   80.298   6.3836   77.013   6.6832 3.285088 9.242064 
1 1 1   13   27   14 o   69.835   4.1006  587.878   67.325  629.600   94.954  545.700   95.471   71.629   5.6600   66.426   6.1566 5.202820 8.362974 
1 1 1   13   27   15 o   59.182   3.4052  420.081   47.387  498.400   67.066  342.000   66.964   64.138   4.4559   52.718   5.4583 11.41903 7.046099 
1 1 1   13   27   16 o   84.815   4.8033  874.315   95.804  881.800  135.355  866.800  135.619   83.932   6.8902   83.156   6.9710 0.7763367 9.801493 
1 1 1   13   27   17 o   35.272   2.3850  148.582   19.748  150.600   27.714  146.500   28.148   35.316   3.3639   34.803   3.4714 0.5132751 4.833879 
1 1 1   13   27   18 o   61.279   3.5952  452.331   51.796  515.100   73.232  389.500   73.268   64.913   4.8119   56.048   5.6113 8.864197 7.391971 
1 1 1   13   27   19 o   40.218   2.5160  193.401   23.774  214.700   33.700  172.300   33.543   42.168   3.4137   37.634   3.8278 4.534382 5.128835 
1 1 1   13   27   20 o   18.005   1.7797   38.836   7.4676   42.700   10.580   35.000   10.542   18.776   2.4443   16.911   2.7331 1.864727 3.666596 
1 1 1   13   27   21 o   53.789   3.1728  348.738   40.122  386.800   56.787  310.800   56.695   56.185   4.3132   50.083   4.8548 6.101192 6.494085 
1 1 1   13   27   22 o   60.385   3.5650  442.554   50.608  440.600   71.646  444.500   71.496   59.382   5.1607   59.669   5.1239 -0.2869949 7.272375 
1 1 1   13   27   23 o   14.159   1.5902   24.093   5.2246   35.400   7.5121   13.500   7.2711   17.148   1.8863   10.436   2.8639 6.712489 3.429299 
1 1 1   13   27   24 o   10.779   1.6390   14.115   4.0403   11.300   5.5455   17.300   5.8986   9.5357   2.4498   11.855   2.1877 -2.319268 3.284405 
1 1 1   13   27   25 o   41.333   2.6396  206.106   25.629  208.400   36.195  203.800   36.294   41.114   3.7701   40.629   3.8282 0.4859810 5.372961 
1 1 1   13   27   26 o   2.2484   1.0134  -0.6000   1.1364  -0.6000   1.3754  -0.6000   2.0171   2.5246   1.1282   3.1539   1.3901 -0.6292973 1.790343 
1 1 1   13   27   27 o   40.569   2.6117  199.055   24.887  206.100   35.181  192.000   35.209   40.811   3.6906   39.305   3.8427 1.506210 5.327949 
1 1 1   13   27   28 o   43.746   2.7679  232.212   28.445  240.800   40.198  223.600   40.257   43.973   3.9122   42.265   4.0846 1.708141 5.655929 
1 1 1   13   27   29 o   22.932   1.8650   63.196   10.012   51.600   14.126   74.900   14.191   20.403   3.0236   24.831   2.4524 -4.427944 3.893121 
1 1 1   13   27   30 o   38.003   2.5094  174.867   22.392  186.000   31.644  163.700   31.691   38.757   3.4952   36.209   3.7614 2.547703 5.134617 
1 1 1   13   27   31 o   35.165   2.2765  149.295   18.802  172.000   26.712  127.000   26.470   37.439   3.0480   31.904   3.5750 5.534475 4.697951 
1 1 1   13   27   32 o   12.201   1.5449   18.016   4.3512   10.900   5.7065   27.900   6.7254   9.3344   2.5270   15.146   1.9239 -5.811136 3.176024 
1 1 1   13   27   33 o   53.517   3.2150  354.815   40.440  403.200   57.271  306.700   57.111   55.979   4.3671   48.070   5.1097 7.909370 6.721668 
1 1 1   13   27   34 o   11.016   1.7378   14.881   4.3705   16.500   6.0390   13.100   6.3330   11.477   2.3083   10.170   2.6207 1.306592 3.492286 
1 1 1   13   27   35 o   31.289   2.2108  119.215   16.229  133.400   22.980  105.100   22.923   32.696   3.0102   28.754   3.4446 3.941910 4.574525 
1 1 1   13   27   36 o   16.092   1.8452   31.598   6.8849   33.600   9.4183   29.300   10.090   16.386   2.5144   15.133   2.9294 1.252619 3.860565 
1 1 1   13   27   37 o   22.903   1.9899   64.015   10.655   64.600   14.885   63.400   15.260   22.635   2.8478   22.365   2.9624 0.2707901 4.109224 
1 1 1   13   27   38 o   32.147   2.3077  127.129   17.401  120.700   24.297  133.900   24.934   30.604   3.4206   32.330   3.3129 -1.725538 4.761900 
1 1 1   13   27   39 o   27.241   3.2401   95.600   20.434   0.0000   0.0000   95.600   20.434  ?   ?    27.241   3.2401 0.000000 3.240114 
1 1 1   13   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   27   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28    0 o   40.843   3.7803  203.100   35.741  203.100   35.741  203.100   35.741   40.843   3.7803   40.843   3.7803 0.000000 0.000000 
1 1 1   13   28    1 o   13.449   1.7042   21.747   5.2907   21.500   7.4372   22.000   7.5281   13.250   2.4678   13.407   2.4688 -0.1569118 3.490678 
1 1 1   13   28    2 o   40.622   2.5847  196.707   24.665  206.500   34.869  186.900   34.893   41.445   3.5987   39.372   3.8003 2.072506 5.233801 
1 1 1   13   28    3 o   50.077   2.9036  299.184   34.188  258.200   48.223  340.600   48.477   46.167   4.4799   53.234   3.8832 -7.067585 5.928626 
1 1 1   13   28    4 o   31.723   2.2688  119.944   16.883  145.100   23.832   94.600   23.921   34.808   2.9266   27.903   3.7235 6.905245 4.735981 
1 1 1   13   28    5 o   44.150   2.7380  232.519   28.404  228.200   40.026  236.900   40.313   43.499   3.9395   44.339   3.8897 -0.8395691 5.536170 
1 1 1   13   28    6 o   21.350   1.7110   54.300   8.5536   41.000   11.786   69.100   12.433   18.365   2.8070   24.039   2.2151 -5.674696 3.575788 
1 1 1   13   28    7 o   37.398   2.3913  166.656   21.008  151.000   29.575  182.600   29.845   35.381   3.5897   39.005   3.2706 -3.623989 4.856161 
1 1 1   13   28    8 o   56.938   3.3174  387.964   44.409  484.100   62.832  292.000   62.776   63.375   4.2228   48.749   5.5525 14.62607 6.975790 
1 1 1   13   28    9 o   43.536   2.7784  226.330   28.415  272.600   40.128  179.800   40.241   47.627   3.5945   38.401   4.5246 9.226032 5.778642 
1 1 1   13   28   10 o   36.050   2.4358  155.026   20.614  159.500   28.912  150.400   29.400   36.395   3.4036   35.297   3.5768 1.098946 4.937380 
1 1 1   13   28   11 o   25.158   1.9810   75.487   11.673   72.000   16.365   79.100   16.657   24.424   2.8936   25.633   2.7972 -1.208857 4.024646 
1 1 1   13   28   12 o   37.025   2.3545  163.446   20.479  191.100   29.070  136.200   28.854   39.912   3.1090   33.528   3.7066 6.384205 4.837819 
1 1 1   13   28   13 f   64.119   3.4776  493.151   52.456  413.200   73.910  574.300   74.462   57.997   5.4611   68.812   4.6092 -10.81517 7.146236 
1 1 1   13   28   14 o   44.254   2.7369  234.071   28.461  248.600   40.290  219.600   40.209   45.365   3.7960   42.550   4.0508 2.815140 5.551418 
1 1 1   13   28   15 o   9.6578   1.7790   11.403   3.9077   7.5000   5.2150   16.400   5.9009   7.9772   2.4936   11.556   2.2434 -3.578931 3.354212 
1 1 1   13   28   16 o   24.848   1.9692   73.713   11.460   71.300   15.931   76.300   16.497   24.291   2.8305   25.139   2.8281 -0.8485279 4.001231 
1 1 1   13   28   17 o   31.859   2.2504  121.248   16.821  132.300   23.737  110.100   23.840   33.127   3.0693   30.117   3.4125 3.010529 4.589741 
1 1 1   13   28   18 f   17.591   1.7807   37.078   7.2947   33.700   10.360   40.400   10.273   16.590   2.7403   18.259   2.4440 -1.668997 3.671839 
1 1 1   13   28   19 o   34.830   2.3205  145.127   18.976  129.400   26.774  161.000   26.898   32.592   3.5355   36.501   3.1517 -3.908230 4.736349 
1 1 1   13   28   20 o   42.376   2.6744  215.597   26.624  234.200   37.655  197.000   37.649   43.861   3.6694   40.074   4.0334 3.786777 5.452731 
1 1 1   13   28   21 o   67.812   3.9448  561.542   62.895  551.100   88.912  572.000   88.981   65.959   5.7666   67.293   5.6520 -1.334663 8.074550 
1 1 1   13   28   22 o   17.912   1.6093   38.404   6.7341   53.200   9.6750   24.500   9.3789   21.046   1.9697   14.020   2.9275 7.025836 3.528468 
1 1 1   13   28   23 o   78.337   4.4611  761.318   82.180  837.900  116.359  685.100  116.081   80.463   6.1711   71.924   6.9202 8.538635 9.272126 
1 1 1   13   28   24 o   10.467   1.7371   13.376   4.1429   14.300   5.6481   12.300   6.0954   10.733   2.2979   9.9374   2.5762 0.7952681 3.452130 
1 1 1   13   28   25 o   35.827   2.3992  154.657   20.180  172.200   28.534  137.100   28.545   37.507   3.2539   33.262   3.6968 4.244793 4.924881 
1 1 1   13   28   26 o   75.809   4.3077  718.179   76.796  824.500  108.770  612.500  108.441   79.455   5.8382   67.135   6.9406 12.31934 9.069564 
1 1 1   13   28   27 o   24.871   1.9854   74.375   11.563   76.800   16.270   71.900   16.437   25.059   2.7973   24.194   2.9373 0.8651333 4.056203 
1 1 1   13   28   28 o   30.519   2.1788  112.199   15.598  115.300   22.063  109.100   22.056   30.637   3.0919   29.758   3.1884 0.8790245 4.441363 
1 1 1   13   28   29 o   25.638   2.0046   79.117   12.040   84.700   17.001   73.500   17.053   26.310   2.7786   24.410   3.0231 1.899961 4.106070 
1 1 1   13   28   30 o   11.258   1.7071   15.450   4.3959   11.600   6.2167   19.300   6.2167   9.6405   2.6491   12.507   2.1844 -2.866811 3.433585 
1 1 1   13   28   31 o   26.308   2.0093   83.469   12.388   94.800   17.544   72.200   17.495   27.820   2.7048   24.085   3.1518 3.735523 4.153271 
1 1 1   13   28   32 o   20.748   1.8528   51.983   8.9821   61.900   12.714   42.100   12.692   22.486   2.4332   18.300   3.0439 4.185947 3.896890 
1 1 1   13   28   33 o   19.492   1.8038   45.945   8.2086   47.600   11.628   44.300   11.590   19.612   2.5729   18.875   2.6751 0.7371178 3.711631 
1 1 1   13   28   34 o   36.796   2.4963  165.848   21.561  165.700   30.302  166.000   30.686   36.090   3.6039   36.090   3.6510 0.6866455E-03 5.130066 
1 1 1   13   28   35 o   16.276   1.8591   32.316   7.0168   29.000   10.288   35.200   9.5947   15.035   3.0028   16.792   2.4956 -1.756481 3.904493 
1 1 1   13   28   36 o   7.8135   2.1599   7.6589   4.1183   2.5000   5.8581   12.700   5.7908   6.3253   2.5492   9.9827   2.4700 -3.657421 3.549576 
1 1 1   13   28   37 o   10.464   2.0334   13.714   4.8433   12.000   6.8776   15.400   6.8217   9.7029   2.8282   10.949   2.6638 -1.246497 3.885204 
1 1 1   13   28   38 o   14.529   2.7885   27.100   9.2190   0.0000   0.0000   27.100   9.2190  ?   ?    14.529   2.7885 0.000000 2.788509 
1 1 1   13   28   39 o   17.276   2.8858   38.400   11.357   0.0000   0.0000   38.400   11.357  ?   ?    17.276   2.8858 0.000000 2.885821 
1 1 1   13   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   28   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29    0 o   66.325   5.5440  537.300   85.433  537.300   85.433  537.300   85.433   66.325   5.5440   66.325   5.5440 0.000000 0.000000 
1 1 1   13   29    1 o   77.527   3.9575  721.679   72.209  552.500  101.814  892.900  102.427   66.823   6.5360   85.810   5.0775 -18.98655 8.276553 
1 1 1   13   29    2 o   86.885   4.9227  913.994  100.582  937.700  141.964  890.100  142.526   86.940   6.9738   84.554   7.2071 2.385765 10.02873 
1 1 1   13   29    3 o   22.059   1.8705   58.047   9.6513   60.000   13.658   56.100   13.639   22.317   2.6431   21.553   2.7421 0.7645493 3.808549 
1 1 1   13   29    4 o   49.391   3.0542  291.634   35.446  342.600   50.063  240.400   50.194   53.322   4.0052   44.382   4.8694 8.940002 6.304973 
1 1 1   13   29    5 o   27.648   2.2050   91.242   14.276  116.100   20.073   65.800   20.308   31.126   2.7597   23.148   3.8505 7.977509 4.737348 
1 1 1   13   29    6 o   86.509   4.8702  906.492   99.083  904.200  139.882  908.800  140.369   85.264   7.0096   85.478   7.0162 -0.2139587 9.917763 
1 1 1   13   29    7 o   65.518   3.5878  514.751   55.297  459.800   77.614  571.400   78.804   61.303   5.4174   68.596   4.8972 -7.292862 7.302795 
1 1 1   13   29    8 o   73.158   4.0197  644.117   69.176  587.800   97.415  701.400   98.248   69.059   6.0344   75.724   5.5328 -6.665085 8.186923 
1 1 1   13   29    9 o   68.387   3.7369  561.785   60.117  507.700   84.432  617.400   85.618   64.309   5.6163   71.178   5.1283 -6.868889 7.605451 
1 1 1   13   29   10 o   92.867   5.3040  1051.79  115.831  1254.50  163.732  848.700  163.887  100.328   6.9541   81.245   8.6768 19.08305 11.11959 
1 1 1   13   29   11 o   12.568   1.7723   19.080   5.1138   16.800   6.9334   21.800   7.5729   11.660   2.5859   13.330   2.4977 -1.669807 3.595157 
1 1 1   13   29   12 o  142.316   8.2712  2586.99  276.761  2678.20  390.887  2495.30  391.914  139.177   12.011  133.380   12.592 5.797379 17.40239 
1 1 1   13   29   13 o   41.089   2.6139  201.786   25.230  199.200   35.582  204.400   35.779   40.563   3.7575   41.101   3.7270 -0.5380936 5.292355 
1 1 1   13   29   14 o   62.451   3.7053  470.101   54.397  499.100   76.731  440.800   77.130   63.765   5.1396   59.722   5.5321 4.043842 7.551085 
1 1 1   13   29   15 o   19.644   1.9360   46.229   8.8638   54.800   12.310   37.000   12.773   21.314   2.4930   17.310   3.2442 4.003841 4.091448 
1 1 1   13   29   16 o   51.799   3.2014  322.727   38.966  347.400   54.911  297.700   55.304   53.324   4.4002   49.168   4.8255 4.156216 6.530458 
1 1 1   13   29   17 o   35.639   2.3660  151.954   19.798  168.700   28.037  135.300   27.960   37.362   3.2090   33.323   3.6112 4.039318 4.830997 
1 1 1   13   29   18 o   19.717   1.8137   46.549   8.3500   46.600   11.874   46.500   11.744   19.579   2.6352   19.564   2.6071 0.1545906E-01 3.706979 
1 1 1   13   29   19 o   41.369   2.6496  205.577   25.747  211.100   36.323  200.000   36.503   41.577   3.7397   40.412   3.8726 1.164463 5.383544 
1 1 1   13   29   20 o   20.543   1.8133   50.555   8.7060   63.300   12.359   38.000   12.266   22.912   2.3160   17.523   3.0766 5.388849 3.850911 
1 1 1   13   29   21 o   31.696   2.1758  120.456   16.186  139.100   23.012  102.200   22.771   33.879   2.9046   28.854   3.4078 5.025135 4.477705 
1 1 1   13   29   22 o   73.920   4.3151  676.656   74.994  660.700  106.077  692.600  106.038   71.124   6.3840   73.016   6.2090 -1.892242 8.905464 
1 1 1   13   29   23 o   26.615   2.0542   85.054   12.810   84.700   18.230   85.400   18.005   26.319   2.9862   26.445   2.9327 -0.1256943 4.185461 
1 1 1   13   29   24 o   52.358   2.9631  332.663   36.485  393.500   51.785  272.700   51.411   56.407   3.9121   46.402   4.7594 10.00442 6.160850 
1 1 1   13   29   25 o   25.267   1.9953   76.724   11.808   81.100   16.653   72.300   16.745   25.776   2.7801   24.259   2.9862 1.516283 4.079987 
1 1 1   13   29   26 f   39.673   2.5333  190.231   23.609  223.200   33.424  157.400   33.353   42.632   3.3470   35.429   4.0601 7.203384 5.261839 
1 1 1   13   29   27 o   44.563   2.7952  241.244   29.265  236.500   41.360  246.000   41.414   43.444   4.0795   44.365   3.9961 -0.9210625 5.710597 
1 1 1   13   29   28 o   32.773   2.2775  129.607   17.516  134.800   24.755  124.400   24.788   33.084   3.2090   31.708   3.3619 1.376638 4.647634 
1 1 1   13   29   29 f   15.140   1.7332   27.693   6.0847   30.200   8.5327   25.100   8.6793   15.672   2.3806   14.183   2.6900 1.489024 3.592174 
1 1 1   13   29   30 o   1.3942   0.6889  -1.8773   0.8292  -4.4000   1.2694   0.0000   1.0951   1.4710   0.7441   2.4984   1.0622 -1.027455 1.296929 
1 1 1   13   29   31 o   27.772   2.0695   93.236   13.475   90.900   18.999   95.600   19.113   27.069   3.0241   27.795   2.9576 -0.7264996 4.229924 
1 1 1   13   29   32 o   27.682   2.0728   92.841   13.451   90.800   18.980   94.900   19.066   26.992   3.0302   27.629   2.9689 -0.6371994 4.242242 
1 1 1   13   29   33 o   52.069   3.2344  338.747   39.571  336.300   55.924  341.200   56.000   50.311   4.7641   50.716   4.7306 -0.4058533 6.713839 
1 1 1   13   29   34 o   10.039   1.8291   12.492   4.1762   20.300   5.8540   4.4000   5.9596   12.820   1.9990   6.9422   2.6360 5.877808 3.308246 
1 1 1   13   29   35 o   29.088   2.1424  103.345   14.612   91.900   20.485  115.200   20.849   26.815   3.3050   30.280   2.9535 -3.464130 4.432403 
1 1 1   13   29   36 o   16.778   2.8184   35.800   10.770   0.0000   0.0000   35.800   10.770  ?   ?    16.778   2.8184 0.000000 2.818444 
1 1 1   13   29   37 o   21.114   3.0309   57.000   14.677   0.0000   0.0000   57.000   14.677  ?   ?    21.114   3.0309 0.000000 3.030856 
1 1 1   13   29   38 o   22.623   2.9848   65.500   15.555   0.0000   0.0000   65.500   15.555  ?   ?    22.623   2.9848 0.000000 2.984758 
1 1 1   13   29   39 o   19.456   2.9219   49.000   13.009   0.0000   0.0000   49.000   13.009  ?   ?    19.456   2.9219 0.000000 2.921866 
1 1 1   13   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   29   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   30    0 f   67.643   5.6400  559.800   88.646  559.800   88.646  559.800   88.646   67.643   5.6400   67.643   5.6400 0.000000 0.000000 
1 1 1   13   30    1 o   51.075   2.9713  311.763   35.681  266.400   50.358  357.500   50.564   46.787   4.6183   54.460   3.9590 -7.672878 6.082900 
1 1 1   13   30    2 o   29.726   2.0987  105.310   14.637  114.200   20.806   96.600   20.594   30.838   2.8910   28.295   3.1349 2.543068 4.264468 
1 1 1   13   30    3 o   75.139   6.2014  696.800  109.048  696.800  109.048   0.0000   0.0000   75.139   6.2014  ?   ?  0.000000 6.201371 
1 1 1   13   30    4 o   31.482   2.1945  118.163   16.212  131.300   22.960  105.100   22.895   33.068   2.9721   29.484   3.3478 3.584698 4.476745 
1 1 1   13   30    5 f   12.398   1.7895   18.581   5.0872   16.400   6.8870   21.200   7.5469   11.520   2.5941   13.139   2.5241 -1.619157 3.619489 
1 1 1   13   30    6 o   76.131   4.5753  701.732   81.870  828.600  115.496  573.600  116.070   82.036   6.0038   67.444   7.4102 14.59170 9.537158 
1 1 1   13   30    7 o   77.665   4.4802  729.774   81.815  756.700  115.334  702.500  116.079   78.185   6.3005   75.143   6.6091 3.041733 9.131078 
1 1 1   13   30    8 o   97.916   5.6334  1175.35  129.703  1265.90  183.122  1084.20  183.736   99.959   7.8204   91.848   8.5705 8.111237 11.60230 
1 1 1   13   30    9 o   30.872   1.9405  113.458   14.074   80.900   19.575  148.300   20.250   25.816   3.2855   35.236   2.4490 -9.419542 4.097806 
1 1 1   13   30   10 o   41.092   2.5837  201.729   24.942  190.600   35.163  213.000   35.386   39.664   3.8008   42.001   3.6027 -2.336941 5.236899 
1 1 1   13   30   11 o   54.848   3.2120  360.911   41.419  342.600   58.356  379.500   58.796   52.950   4.7166   55.831   4.4979 -2.881248 6.517505 
1 1 1   13   30   12 o   48.665   2.9910  283.857   34.205  293.000   48.224  274.600   48.523   49.095   4.2002   47.458   4.3793 1.636669 6.067936 
1 1 1   13   30   13 o   25.718   1.9497   78.944   11.752   71.600   16.451   86.600   16.796   24.315   2.9237   26.820   2.6882 -2.504759 3.971723 
1 1 1   13   30   14 o   30.792   2.1410  113.240   15.471  103.800   21.699  123.000   22.064   29.264   3.1918   31.938   2.9592 -2.673662 4.352521 
1 1 1   13   30   15 o   32.936   2.2977  129.767   17.758  132.100   25.022  127.400   25.206   33.021   3.2512   32.399   3.3427 0.6220474 4.663027 
1 1 1   13   30   16 o   12.193   1.6122   17.934   4.5280   8.6000   5.9479   30.800   6.9831   8.5180   2.6632   15.994   1.8852 -7.475871 3.262876 
1 1 1   13   30   17 o   29.851   2.1584  106.660   15.112  107.800   21.277  105.500   21.467   29.806   3.0668   29.466   3.1332 0.3402748 4.384313 
1 1 1   13   30   18 o   47.150   2.8253  267.660   31.311  294.700   44.396  240.900   44.166   49.080   3.8618   44.164   4.2891 4.916237 5.771516 
1 1 1   13   30   19 o   9.5129   1.8086   11.114   3.9142   5.1000   5.5898   16.900   5.4827   7.1409   2.5818   11.743   2.0519 -4.601939 3.297900 
1 1 1   13   30   20 o   27.343   2.0409   89.618   13.082  107.800   18.518   71.500   18.485   29.859   2.6540   24.085   3.3401 5.773888 4.266159 
1 1 1   13   30   21 o   10.602   1.8036   13.745   4.3537   15.200   6.1681   12.300   6.1462   11.055   2.4292   9.9407   2.5917 1.113910 3.552168 
1 1 1   13   30   22 o   16.438   1.7644   32.534   6.7420   33.600   9.6078   31.500   9.4630   16.544   2.5406   15.995   2.5943 0.5489273 3.631074 
1 1 1   13   30   23 o   9.5546   1.8017   11.228   3.9159   8.9000   5.5715   13.500   5.5050   8.5518   2.5594   10.417   2.2996 -1.864652 3.440751 
1 1 1   13   30   24 o   34.691   2.3135  144.950   18.843  160.200   26.736  129.900   26.560   36.178   3.1614   32.407   3.5278 3.770378 4.737036 
1 1 1   13   30   25 o   36.570   2.4399  161.448   20.949  160.200   29.604  162.700   29.648   36.004   3.5274   36.297   3.5025 -0.2935600 4.970963 
1 1 1   13   30   26 o   18.983   1.7867   43.346   7.9146   44.900   11.208   41.800   11.178   19.148   2.5416   18.437   2.6431 0.7108173 3.666825 
1 1 1   13   30   27 o   7.5627   1.7810   7.0956   3.1281   8.8000   4.2593   5.1000   4.6089   8.4091   2.1397   6.8239   2.3552 1.585119 3.182028 
1 1 1   13   30   28 o   20.569   1.8780   50.975   9.0210   60.500   12.708   41.300   12.808   22.276   2.4568   18.171   3.0959 4.104345 3.952271 
1 1 1   13   30   29 o   28.819   2.1333  100.319   14.414  103.700   20.328   96.900   20.442   28.987   3.0139   27.955   3.1518 1.032131 4.360870 
1 1 1   13   30   30 o   32.973   2.2769  131.804   17.620  146.700   24.957  117.000   24.880   34.421   3.1038   30.509   3.5179 3.911722 4.691408 
1 1 1   13   30   31 o   22.868   1.9215   63.252   10.280   63.500   14.485   63.000   14.592   22.630   2.7684   22.526   2.8040 0.1040115 3.940324 
1 1 1   13   30   32 o   21.979   1.8915   58.500   9.7216   58.400   13.729   58.600   13.768   21.669   2.7447   21.705   2.7478 -0.3631973E-01 3.883747 
1 1 1   13   30   33 o   41.685   2.7002  214.674   26.436  224.200   37.638  205.400   37.139   41.657   3.8705   39.735   4.0132 1.922310 5.575529 
1 1 1   13   30   34 o   14.393   1.7096   25.238   5.6967   31.200   8.5607   20.500   7.6318   15.824   2.3634   12.689   2.6333 3.135436 3.538395 
1 1 1   13   30   35 o   43.111   4.2952  247.700   43.144   0.0000   0.0000  247.700   43.144  ?   ?    43.111   4.2952 0.000000 4.295217 
1 1 1   13   30   36 o   28.417   3.2417  103.400   21.363   0.0000   0.0000  103.400   21.363  ?   ?    28.417   3.2417 0.000000 3.241656 
1 1 1   13   30   37 o   30.302   3.3411  118.700   23.509   0.0000   0.0000  118.700   23.509  ?   ?    30.302   3.3411 0.000000 3.341091 
1 1 1   13   30   38 o   9.2498   2.7594   11.000   6.4838   0.0000   0.0000   11.000   6.4838  ?   ?    9.2498   2.7594 0.000000 2.759396 
1 1 1   13   30   39 o   11.172   2.8322   16.600   7.4815   0.0000   0.0000   16.600   7.4815  ?   ?    11.172   2.8322 0.000000 2.832187 
1 1 1   13   30   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   30   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   30   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   30   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   31    0 o   13.049   2.9490   23.000   7.9264   23.000   7.9264   23.000   7.9264   13.049   2.9490   13.049   2.9490 0.000000 0.000000 
1 1 1   13   31    1 o  120.040   6.6499  1789.56  187.762  1697.70  264.906  1882.30  266.168  113.488   9.9868  120.166   9.4566 -6.677986 13.75366 
1 1 1   13   31    2 o   37.460   2.4223  167.451   21.313  187.800   30.177  147.200   30.104   39.518   3.2630   34.853   3.7151 4.664860 4.944662 
1 1 1   13   31    3 o   45.994   2.7602  252.802   29.839  232.900   41.942  273.200   42.461   43.818   4.1012   47.568   3.8122 -3.750317 5.599364 
1 1 1   13   31    4 f   40.503   2.6104  195.993   24.834  209.000   35.062  182.900   35.178   41.615   3.6036   38.839   3.8879 2.776020 5.301104 
1 1 1   13   31    5 o   57.804   3.4823  401.492   47.311  487.800   66.833  314.800   66.982   63.383   4.4945   50.389   5.7313 12.99392 7.283381 
1 1 1   13   31    6 o   55.604   3.3871  371.347   44.262  447.500   62.515  294.800   62.676   60.724   4.3893   48.808   5.5361 11.91638 7.065012 
1 1 1   13   31    7 o   68.459   4.0153  566.018   64.625  667.600   91.318  464.100   91.470   73.786   5.2759   60.879   6.4616 12.90735 8.341900 
1 1 1   13   31    8 o   75.551   4.2055  690.786   74.729  648.800  105.293  733.400  106.078   72.165   6.2403   76.974   5.8806 -4.808647 8.574533 
1 1 1   13   31    9 o   62.642   3.6440  472.730   53.669  467.400   75.756  478.100   76.044   61.631   5.2557   62.358   5.2121 -0.7266083 7.401911 
1 1 1   13   31   10 o   31.139   2.1155  115.701   15.463  148.600   21.970   83.400   21.769   35.210   2.6620   26.109   3.6290 9.100927 4.500636 
1 1 1   13   31   11 o   67.048   3.9841  544.722   62.794  587.100   88.522  501.800   89.089   68.841   5.4912   63.307   6.0325 5.534103 8.157451 
1 1 1   13   31   12 o   40.600   2.5461  197.297   24.286  183.000   34.166  211.900   34.529   38.775   3.7795   41.826   3.5289 -3.051113 5.170862 
1 1 1   13   31   13 o   48.022   2.9798  277.229   33.623  299.900   47.468  254.400   47.633   49.572   4.0917   45.476   4.4946 4.095615 6.078094 
1 1 1   13   31   14 o   22.243   1.7251   59.066   8.9902   40.600   12.508   78.800   12.931   18.168   3.0217   25.642   2.1555 -7.473730 3.711712 
1 1 1   13   31   15 o   15.961   1.8473   30.666   6.8337   32.900   9.3460   28.100   10.018   16.420   2.4885   15.061   2.9222 1.358778 3.838191 
1 1 1   13   31   16 o   22.077   1.9175   58.401   9.8969   58.800   13.983   58.000   14.009   21.984   2.7541   21.826   2.7814 0.1585312 3.914222 
1 1 1   13   31   17 o   78.153   4.0840  749.221   75.107  921.500  106.522  578.900  105.915   85.627   5.2942   66.457   6.8473 19.17064 8.655336 
1 1 1   13   31   18 o   35.045   2.3648  147.501   19.455  147.000   27.553  148.000   27.475   34.673   3.4094   34.799   3.3864 -0.1263580 4.805408 
1 1 1   13   31   19 o   37.595   2.4533  170.009   21.660  181.600   30.687  158.500   30.577   38.539   3.4071   35.891   3.6590 2.648605 4.999673 
1 1 1   13   31   20 o   24.839   1.9563   74.014   11.381   80.400   16.142   67.700   16.051   25.719   2.6980   23.507   2.9570 2.212118 4.002925 
1 1 1   13   31   21 o   50.815   3.0774  313.858   36.752  282.500   51.941  345.300   52.011   47.302   4.7129   52.663   4.2178 -5.361485 6.324684 
1 1 1   13   31   22 o   48.094   2.9602  280.925   33.454  288.800   47.387  273.100   47.236   48.091   4.2154   46.685   4.3343 1.405972 6.046174 
1 1 1   13   31   23 o   30.774   2.1875  113.946   15.793  112.200   22.309  115.700   22.359   30.229   3.1727   30.718   3.1261 -0.4890118 4.454030 
1 1 1   13   31   24 o   32.043   2.1902  123.568   16.473  155.600   23.345   91.800   23.249   35.777   2.7853   27.088   3.7339 8.689163 4.658316 
1 1 1   13   31   25 o   24.281   1.9802   70.922   11.254   62.700   15.938   79.100   15.895   22.520   3.0776   25.463   2.6840 -2.943031 4.083560 
1 1 1   13   31   26 f   7.3340   1.8736   6.6690   3.2565   9.8000   4.3318   2.6000   4.9383   8.8711   2.1004   6.0352   2.3704 2.835909 3.167104 
1 1 1   13   31   27 o   15.438   1.7490   28.798   6.2634   28.200   8.8432   29.400   8.8725   15.081   2.5758   15.419   2.5242 -0.3381729 3.606424 
1 1 1   13   31   28 o   40.024   2.6482  195.165   24.887  217.800   35.146  172.400   35.246   41.761   3.5992   36.809   4.1261 4.952198 5.475263 
1 1 1   13   31   29 o   16.090   1.7363   31.310   6.4924   28.600   9.1150   34.100   9.2497   15.135   2.6468   16.624   2.4280 -1.488445 3.591736 
1 1 1   13   31   30 o   37.688   2.5030  173.390   22.149  171.100   31.253  175.700   31.393   36.774   3.6471   37.294   3.6100 -0.5196609 5.131612 
1 1 1   13   31   31 o   4.4989   1.6621   1.9091   2.3351  -2.3000   3.9333   4.2000   2.9018   4.0978   1.8624   5.9361   1.8608 -1.838312 2.632711 
1 1 1   13   31   32 o   19.018   1.9028   44.003   8.4307   37.200   12.111   50.400   11.743   17.048   3.1235   20.154   2.5228 -3.105677 4.015077 
1 1 1   13   31   33 o   21.292   2.7812   56.900   13.649   0.0000   0.0000   56.900   13.649  ?   ?    21.292   2.7812 0.000000 2.781181 
1 1 1   13   31   34 o   22.395   2.9009   63.300   14.980   0.0000   0.0000   63.300   14.980  ?   ?    22.395   2.9009 0.000000 2.900881 
1 1 1   13   31   35 o   10.064   2.7578   13.000   6.7480   0.0000   0.0000   13.000   6.7480  ?   ?    10.064   2.7578 0.000000 2.757773 
1 1 1   13   31   36 o   19.529   2.8613   48.600   12.804   0.0000   0.0000   48.600   12.804  ?   ?    19.529   2.8613 0.000000 2.861270 
1 1 1   13   31   37 o   10.317   2.8886   13.900   7.3162   0.0000   0.0000   13.900   7.3162  ?   ?    10.317   2.8886 0.000000 2.888569 
1 1 1   13   31   38 o   10.605   2.8304   14.900   7.2200   0.0000   0.0000   14.900   7.2200  ?   ?    10.605   2.8304 0.000000 2.830387 
1 1 1   13   31   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   31   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   31   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   32    0 f   35.661   3.5210  155.600   28.986  155.600   28.986  155.600   28.986   35.661   3.5210   35.661   3.5210 0.000000 0.000000 
1 1 1   13   32    1 o   29.149   2.0232  101.305   13.839   84.800   19.347  118.600   19.805   26.455   3.1596   31.440   2.6936 -4.984900 4.151957 
1 1 1   13   32    2 o   80.237   6.6685  807.100  125.202  807.100  125.202   0.0000   0.0000   80.237   6.6685  ?   ?  0.000000 6.668481 
1 1 1   13   32    3 o   84.795   4.5775  873.853   91.315  795.400  128.416  954.100  129.875   79.453   6.9135   87.500   6.3284 -8.046730 9.372560 
1 1 1   13   32    4 o  135.173   8.0476  2344.33  255.710  2645.20  361.194  2042.00  362.065  138.741   11.118  118.644   13.144 20.09760 17.21597 
1 1 1   13   32    5 o   16.120   1.9275   31.267   7.1917   38.900   9.8362   22.500   10.542   17.930   2.3821   13.444   3.3363 4.486109 4.099473 
1 1 1   13   32    6 o   41.145   2.5822  202.479   24.960  191.300   35.111  213.900   35.491   39.692   3.7922   42.043   3.6099 -2.350433 5.235696 
1 1 1   13   32    7 o   25.622   2.0037   78.420   12.026   74.500   16.840   82.500   17.180   24.802   2.9322   26.137   2.8286 -1.335917 4.074160 
1 1 1   13   32    8 o   24.960   2.0422   74.499   11.932   82.400   16.720   66.300   17.032   26.131   2.7510   23.318   3.1758 2.813692 4.201608 
1 1 1   13   32    9 o   15.870   1.7921   30.258   6.5980   31.100   9.2890   29.400   9.3735   15.957   2.5511   15.484   2.6594 0.4730759 3.685231 
1 1 1   13   32   10 o   75.059   4.4001  688.176   77.648  717.700  109.395  658.200  110.230   75.446   6.1952   71.960   6.5592 3.486305 9.022339 
1 1 1   13   32   11 o   24.664   1.9712   72.753   11.384   71.400   15.838   74.200   16.375   24.271   2.8159   24.739   2.8554 -0.4685135 4.010318 
1 1 1   13   32   12 o   53.774   3.1876  348.831   40.295  335.500   56.840  362.300   57.133   52.105   4.6692   54.243   4.5011 -2.138577 6.485510 
1 1 1   13   32   13 o   58.581   3.6208  416.835   49.841  465.000   70.208  367.900   70.767   61.193   4.8998   53.960   5.6370 7.232494 7.468896 
1 1 1   13   32   14 o   28.315   2.1248   96.065   14.103   96.900   19.766   95.200   20.128   28.234   3.0112   27.958   3.1011 0.2757225 4.322512 
1 1 1   13   32   15 o   67.594   3.7701  557.710   59.936  654.900   85.000  461.600   84.527   72.382   5.0038   59.946   6.0543 12.43668 7.854490 
1 1 1   13   32   16 o   30.661   2.1852  112.750   15.718  109.100   22.079  116.500   22.381   29.901   3.1755   30.930   3.1064 -1.028854 4.442242 
1 1 1   13   32   17 o   44.014   2.5664  233.097   26.557  287.800   37.733  179.400   37.385   48.634   3.3053   37.963   4.2429 10.67073 5.378403 
1 1 1   13   32   18 o   48.766   2.9881  288.188   34.243  293.400   48.484  283.000   48.371   48.569   4.2708   47.652   4.3466 0.9170837 6.093661 
1 1 1   13   32   19 o   50.008   2.9464  303.094   34.639  246.300   48.899  360.300   49.076   44.141   4.7670   54.045   3.8711 -9.904476 6.140815 
1 1 1   13   32   20 o   34.488   2.3243  143.180   18.819  131.000   26.592  155.400   26.636   32.581   3.5119   35.639   3.1991 -3.058472 4.750538 
1 1 1   13   32   21 o   24.520   1.9622   72.215   11.266   67.300   15.877   77.200   15.990   23.417   2.9357   25.163   2.7351 -1.745441 4.012334 
1 1 1   13   32   22 o   63.698   3.7262  500.265   55.803  426.700   78.871  574.000   78.963   56.987   5.9488   67.116   5.0187 -10.12875 7.782990 
1 1 1   13   32   23 o   14.882   1.7950   26.779   6.1806   21.200   8.8460   32.100   8.6390   12.980   2.9527   16.198   2.3253 -3.218349 3.758427 
1 1 1   13   32   24 o   63.992   3.8087  507.500   57.293  507.600   81.042  507.400   81.006   62.373   5.5607   62.362   5.5591 0.1070404E-01 7.862934 
1 1 1   13   32   25 o   23.320   1.8340   65.312   10.018   83.100   14.265   48.000   14.072   26.197   2.3303   19.623   3.1431 6.573874 3.912702 
1 1 1   13   32   26 o   25.531   2.0088   78.550   12.013   84.300   16.989   72.800   16.989   26.219   2.7868   24.261   3.0317 1.957630 4.117959 
1 1 1   13   32   27 o   8.2867   1.7940   8.5224   3.4087   5.5000   4.7614   11.700   4.8821   7.0128   2.3948   9.6759   2.1881 -2.663089 3.243888 
1 1 1   13   32   28 o   33.082   2.3061  132.816   17.902  136.000   25.256  129.600   25.379   33.030   3.2817   32.180   3.3910 0.8499184 4.718927 
1 1 1   13   32   29 o   23.808   1.9660   68.592   10.954   66.700   15.458   70.500   15.524   23.154   2.8901   23.845   2.8111 -0.6907253 4.031739 
1 1 1   13   32   30 o   29.013   2.3130  102.763   15.715   75.400   22.418  129.200   22.035   23.980   4.1067   32.249   2.9254 -8.269474 5.042077 
1 1 1   13   32   31 o   52.201   3.4512  344.924   42.301  283.800   60.058  405.100   59.590   44.696   5.8292   55.167   4.6168 -10.47148 7.436022 
1 1 1   13   32   32 o   21.990   2.7752   60.600   14.090   0.0000   0.0000   60.600   14.090  ?   ?    21.990   2.7752 0.000000 2.775172 
1 1 1   13   32   33 o   11.413   2.5501   16.600   6.6996   0.0000   0.0000   16.600   6.6996  ?   ?    11.413   2.5501 0.000000 2.550134 
1 1 1   13   32   34 o   32.756   3.5386  138.700   26.936   0.0000   0.0000  138.700   26.936  ?   ?    32.756   3.5386 0.000000 3.538598 
1 1 1   13   32   35 o   11.001   2.5081   15.500   6.3707   0.0000   0.0000   15.500   6.3707  ?   ?    11.001   2.5081 0.000000 2.508126 
1 1 1   13   32   36 o   22.610   2.9862   65.800   15.553   0.0000   0.0000   65.800   15.553  ?   ?    22.610   2.9862 0.000000 2.986154 
1 1 1   13   32   37 o   13.474   2.8929   24.000   8.9293   0.0000   0.0000   24.000   8.9293  ?   ?    13.474   2.8929 0.000000 2.892897 
1 1 1   13   32   38 o   9.4148   2.7686   11.800   6.5649   0.0000   0.0000   11.800   6.5649  ?   ?    9.4148   2.7686 0.000000 2.768627 
1 1 1   13   32   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   32   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   32   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   32   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   33    0 o   33.016   3.3607  133.700   25.579  133.700   25.579  133.700   25.579   33.016   3.3607   33.016   3.3607 0.000000 0.000000 
1 1 1   13   33    1 o   25.162   2.0363   75.701   11.995   81.700   16.893   69.600   17.035   26.009   2.7944   23.919   3.0882 2.089684 4.164776 
1 1 1   13   33    2 o   16.568   1.9090   33.012   7.3320   41.200   10.103   23.900   10.657   18.454   2.3734   13.842   3.3060 4.611990 4.069769 
1 1 1   13   33    3 o   24.751   1.9870   73.226   11.515   72.500   16.027   74.000   16.556   24.474   2.8250   24.715   2.8915 -0.2410393 4.042433 
1 1 1   13   33    4 o   29.130   2.2146  101.522   15.119  117.300   21.235   85.300   21.532   31.182   2.9178   26.400   3.5434 4.782459 4.590157 
1 1 1   13   33    5 o   94.756   5.5079  1114.59  122.709  1201.70  173.302  1027.00  173.773   96.223   7.6915   88.103   8.4566 8.119530 11.43125 
1 1 1   13   33    6 o   20.965   1.8249   52.566   8.9441   46.400   12.336   59.400   12.987   19.518   2.7529   22.175   2.5252 -2.657017 3.735648 
1 1 1   13   33    7 o   26.728   2.1220   85.514   13.283   90.400   18.403   80.200   19.191   27.330   2.8957   25.642   3.2419 1.687569 4.346873 
1 1 1   13   33    8 o   18.343   1.8744   40.381   8.0050   48.700   11.202   31.700   11.444   20.067   2.4123   15.981   3.1445 4.086179 3.963182 
1 1 1   13   33    9 o   57.678   3.4362  402.559   46.588  403.800   65.654  401.300   66.121   57.051   4.9216   56.843   4.9762 0.2084084 6.998898 
1 1 1   13   33   10 o   14.201   1.7791   24.323   5.8348   14.000   7.9927   36.100   8.5375   10.659   3.0314   17.282   2.1376 -6.622843 3.709321 
1 1 1   13   33   11 o   35.545   2.2301  151.257   18.624  117.500   26.113  186.200   26.568   30.936   3.6446   39.281   2.8844 -8.344944 4.647919 
1 1 1   13   33   12 o   25.480   1.9538   77.717   11.666   68.800   16.169   87.400   16.850   23.750   2.9462   26.874   2.6914 -3.123304 3.990484 
1 1 1   13   33   13 o   48.605   2.9086  285.075   33.229  266.600   46.652  304.100   47.342   46.406   4.3063   49.705   4.0692 -3.298595 5.924765 
1 1 1   13   33   14 o   70.967   3.7391  615.277   62.438  513.900   87.633  719.800   88.982   63.248   5.9371   75.793   4.9999 -12.54553 7.761922 
1 1 1   13   33   15 o   14.658   1.8885   25.997   6.3845   33.300   8.8312   18.000   9.2408   16.531   2.3267   11.991   3.2029 4.540045 3.958841 
1 1 1   13   33   16 o   24.702   1.9412   73.172   11.232   80.000   15.977   66.500   15.793   25.665   2.6756   23.306   2.9348 2.358900 3.971328 
1 1 1   13   33   17 o   59.759   3.4292  436.029   48.188  388.400   67.956  484.200   68.342   55.161   5.2818   62.109   4.6945 -6.948292 7.066492 
1 1 1   13   33   18 o   30.550   2.0717  111.991   14.857  131.900   21.178   92.700   20.846   32.976   2.7447   27.438   3.2827 5.537996 4.278948 
1 1 1   13   33   19 o   40.912   2.4572  201.667   23.629  145.800   33.274  258.500   33.560   34.074   4.2261   46.074   3.1027 -12.00018 5.242750 
1 1 1   13   33   20 o   23.475   1.9356   66.200   10.634   66.600   15.044   65.800   15.034   23.336   2.7850   23.189   2.8024 0.1472054 3.950896 
1 1 1   13   33   21 o   55.351   3.1103  373.322   40.488  455.300   57.445  292.400   57.073   60.512   4.0435   47.687   5.1502 12.82470 6.547845 
1 1 1   13   33   22 o   15.430   1.7732   28.743   6.3433   32.300   9.1853   25.500   8.7707   16.212   2.4781   14.316   2.6932 1.895368 3.659841 
1 1 1   13   33   23 o   35.790   2.3721  154.608   19.934  171.400   28.269  138.000   28.114   37.352   3.2371   33.317   3.6323 4.034210 4.865453 
1 1 1   13   33   24 f   24.163   1.9129   70.216   10.825   79.900   15.460   60.900   15.163   25.599   2.5933   22.202   2.9665 3.397621 3.940214 
1 1 1   13   33   25 o   48.823   2.9995  291.903   34.413  268.900   48.618  315.000   48.718   45.802   4.5557   49.910   4.1720 -4.107735 6.177362 
1 1 1   13   33   26 o   25.396   1.9743   77.795   11.747   84.300   16.684   71.400   16.541   26.196   2.7376   23.998   2.9833 2.197874 4.049052 
1 1 1   13   33   27 o   28.038   2.0048   94.943   13.186  113.400   18.945   77.600   18.364   30.406   2.6654   24.898   3.1974 5.507700 4.162674 
1 1 1   13   33   28 o   43.353   2.8424  231.329   28.936  216.700   41.105  245.700   40.742   40.888   4.3228   43.851   3.9779 -2.962658 5.874554 
1 1 1   13   33   29 o   29.746   3.1955  111.200   22.093   0.0000   0.0000  111.200   22.093  ?   ?    29.746   3.1955 0.000000 3.195512 
1 1 1   13   33   30 o   33.833   3.4592  145.600   27.248   0.0000   0.0000  145.600   27.248  ?   ?    33.833   3.4592 0.000000 3.459168 
1 1 1   13   33   31 o   49.549   4.7764  332.000   55.194   0.0000   0.0000  332.000   55.194  ?   ?    49.549   4.7764 0.000000 4.776399 
1 1 1   13   33   32 o   6.8749   2.2373   5.6000   4.1642   0.0000   0.0000   5.6000   4.1642  ?   ?    6.8749   2.2373 0.000000 2.237280 
1 1 1   13   33   33 o   13.645   2.9800   24.100   9.3327   0.0000   0.0000   24.100   9.3327  ?   ?    13.645   2.9800 0.000000 2.979955 
1 1 1   13   33   34 o   10.765   2.8233   15.000   7.2654   0.0000   0.0000   15.000   7.2654  ?   ?    10.765   2.8233 0.000000 2.823282 
1 1 1   13   33   35 o   9.6018   2.7821   11.900   6.6727   0.0000   0.0000   11.900   6.6727  ?   ?    9.6018   2.7821 0.000000 2.782064 
1 1 1   13   33   36 o   15.521   2.6814   31.200   9.4720   0.0000   0.0000   31.200   9.4720  ?   ?    15.521   2.6814 0.000000 2.681432 
1 1 1   13   33   37 o   10.088   2.9018   13.700   7.2831   0.0000   0.0000   13.700   7.2831  ?   ?    10.088   2.9018 0.000000 2.901771 
1 1 1   13   33   38 o   7.0472   2.6733   5.3000   6.1255   0.0000   0.0000   5.3000   6.1255  ?   ?    7.0472   2.6733 0.000000 2.673295 
1 1 1   13   33   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   33   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   33   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   33   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   34    0 o   29.865   3.2394  109.900   22.164  109.900   22.164  109.900   22.164   29.865   3.2394   29.865   3.2394 0.000000 0.000000 
1 1 1   13   34    1 o   57.222   2.9944  393.793   40.320  519.900   57.404  271.000   56.645   65.453   3.7295   46.530   5.2470 18.92231 6.437428 
1 1 1   13   34    2 o   26.132   2.0852   81.761   12.760   67.400   18.116   95.900   17.976   23.430   3.3715   28.184   2.7355 -4.753960 4.341659 
1 1 1   13   34    3 o   35.483   2.4408  150.956   20.327  141.500   28.910  160.200   28.585   34.026   3.6555   36.315   3.3719 -2.288952 4.973185 
1 1 1   13   34    4 o   45.590   2.6895  249.521   28.825  212.300   40.430  288.000   41.107   41.547   4.1776   48.682   3.6015 -7.134838 5.515732 
1 1 1   13   34    5 o   45.036   2.5801  243.269   27.324  196.000   38.274  292.400   39.020   39.912   4.1203   49.122   3.3846 -9.210445 5.332211 
1 1 1   13   34    6 o   41.086   2.4800  202.414   23.948  163.600   33.516  242.900   34.230   36.476   3.9545   44.782   3.2593 -8.306572 5.124610 
1 1 1   13   34    7 f   54.315   3.3175  357.335   42.346  381.800   59.723  332.600   60.051   55.521   4.5967   51.581   4.9927 3.939388 6.786486 
1 1 1   13   34    8 o   65.576   3.9085  525.516   60.248  557.400   84.985  493.300   85.425   66.497   5.4605   62.220   5.8841 4.276760 8.027426 
1 1 1   13   34    9 o   43.201   2.8436  225.083   28.846  250.700   40.574  198.900   41.019   45.227   3.8353   40.007   4.4156 5.220268 5.848657 
1 1 1   13   34   10 o   30.475   2.1903  111.354   15.657  112.200   22.088  110.500   22.196   30.355   3.1263   30.109   3.1695 0.2457142 4.451897 
1 1 1   13   34   11 o   51.794   3.1644  325.045   38.517  331.500   54.284  318.500   54.659   51.649   4.4957   50.543   4.6312 1.105736 6.454440 
1 1 1   13   34   12 o   18.219   1.8044   39.869   7.6607   40.900   10.737   38.800   10.933   18.304   2.5538   17.789   2.6864 0.5152512 3.706607 
1 1 1   13   34   13 o   29.789   2.0579  106.351   14.387   89.000   19.964  125.100   20.752   26.943   3.2004   32.139   2.7613 -5.195467 4.226952 
1 1 1   13   34   14 o   51.207   3.1207  318.351   37.555  317.100   53.133  319.600   53.088   50.363   4.5157   50.577   4.4919 -0.2138977 6.369327 
1 1 1   13   34   15 o   32.401   2.2551  126.195   17.146  122.500   24.074  130.000   24.427   31.613   3.2723   32.596   3.2155 -0.9826794 4.587754 
1 1 1   13   34   16 o   43.614   2.5866  229.421   26.520  178.100   37.351  281.600   37.661   37.713   4.2693   48.009   3.3430 -10.29549 5.422407 
1 1 1   13   34   17 o   5.9354   1.9006   4.1040   3.0134   1.8000   4.3137   6.3000   4.2114   5.4939   2.1969   7.2571   2.2364 -1.763155 3.134888 
1 1 1   13   34   18 o   17.104   1.7709   35.210   7.0487   37.400   10.062   33.100   9.8776   17.474   2.5106   16.387   2.6425 1.086658 3.645030 
1 1 1   13   34   19 o   43.739   2.7371  231.707   28.127  262.500   39.806  201.000   39.750   46.106   3.6870   40.006   4.2739 6.100151 5.644445 
1 1 1   13   34   20 o   47.354   2.9401  272.600   32.713  273.000   46.273  272.200   46.254   46.676   4.2447   46.604   4.2498 0.7215881E-01 6.006560 
1 1 1   13   34   21 o   11.626   1.7932   16.484   4.7644   11.200   6.7274   21.800   6.7483   9.5352   2.8023   13.314   2.2250 -3.778810 3.578183 
1 1 1   13   34   22 o   16.742   1.7336   33.765   6.7541   29.000   9.3782   38.900   9.7354   15.281   2.6976   17.841   2.3694 -2.560276 3.590484 
1 1 1   13   34   23 o   32.134   2.2580  124.703   17.025  124.300   24.169  125.100   23.986   31.698   3.2763   31.818   3.2376 -0.1195183 4.606107 
1 1 1   13   34   24 o   49.074   3.0378  295.528   35.029  261.700   49.522  329.400   49.554   44.979   4.7337   51.004   4.1504 -6.025555 6.295549 
1 1 1   13   34   25 o   9.4772   1.8170   11.100   3.9184   7.3000   5.4714   15.100   5.6142   7.8731   2.5646   11.004   2.2368 -3.131321 3.403007 
1 1 1   13   34   26 o   8.8543   2.4516   9.8000   5.3011   0.0000   0.0000   9.8000   5.3011  ?   ?    8.8543   2.4516 0.000000 2.451647 
1 1 1   13   34   27 o   11.251   2.5599   16.000   6.6477   0.0000   0.0000   16.000   6.6477  ?   ?    11.251   2.5599 0.000000 2.559927 
1 1 1   13   34   28 o   35.640   3.5643  161.500   29.595   0.0000   0.0000  161.500   29.595  ?   ?    35.640   3.5643 0.000000 3.564310 
1 1 1   13   34   29 o   45.417   4.3485  271.800   46.066   0.0000   0.0000  271.800   46.066  ?   ?    45.417   4.3485 0.000000 4.348520 
1 1 1   13   34   30 o   36.096   3.6235  167.300   30.469   0.0000   0.0000  167.300   30.469  ?   ?    36.096   3.6235 0.000000 3.623545 
1 1 1   13   34   31 o   7.5183   2.3360   6.9000   4.5842   0.0000   0.0000   6.9000   4.5842  ?   ?    7.5183   2.3360 0.000000 2.335954 
1 1 1   13   34   32 o   17.386   2.6473   38.100   10.526   0.0000   0.0000   38.100   10.526  ?   ?    17.386   2.6473 0.000000 2.647325 
1 1 1   13   34   33 o   21.885   2.8812   60.800   14.527   0.0000   0.0000   60.800   14.527  ?   ?    21.885   2.8812 0.000000 2.881203 
1 1 1   13   34   34 o   15.687   2.8907   31.900   10.313   0.0000   0.0000   31.900   10.313  ?   ?    15.687   2.8907 0.000000 2.890725 
1 1 1   13   34   35 o   18.130   2.8926   42.900   11.967   0.0000   0.0000   42.900   11.967  ?   ?    18.130   2.8926 0.000000 2.892600 
1 1 1   13   34   36 o   9.2966   2.5308   11.400   5.7048   0.0000   0.0000   11.400   5.7048  ?   ?    9.2966   2.5308 0.000000 2.530757 
1 1 1   13   34   37 o   2.9803   1.3972  -2.4000   2.4789   0.0000   0.0000  -2.4000   2.4789  ?   ?    2.9803   1.3972 0.000000 1.397243 
1 1 1   13   34   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   34   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   34   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   34   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   35    0 o   50.683   4.5331  316.800   53.254  316.800   53.254  316.800   53.254   50.683   4.5331   50.683   4.5331 0.000000 0.000000 
1 1 1   13   35    1 o   31.281   3.2203  119.200   23.447  119.200   23.447   0.0000   0.0000   31.281   3.2203  ?   ?  0.000000 3.220282 
1 1 1   13   35    2 o   50.548   3.0771  308.752   36.554  302.600   51.496  315.000   51.898   49.424   4.4604   50.465   4.3990 -1.041153 6.264701 
1 1 1   13   35    3 o   16.319   1.7853   32.023   6.7674   21.600   9.2730   43.900   9.8988   13.142   3.0474   19.054   2.2430 -5.912592 3.783837 
1 1 1   13   35    4 o   30.127   2.1316  108.726   15.067   92.500   21.102  125.600   21.519   27.485   3.3185   32.217   2.8584 -4.731739 4.379806 
1 1 1   13   35    5 o   21.590   1.9188   55.900   9.6804   40.600   13.668   71.300   13.712   18.061   3.3274   24.304   2.4215 -6.243275 4.115235 
1 1 1   13   35    6 o   31.194   2.1605  116.612   15.816  106.300   22.020  127.600   22.732   29.509   3.2121   32.422   3.0032 -2.913828 4.397336 
1 1 1   13   35    7 f   41.109   2.7298  203.725   26.349  228.300   37.096  178.700   37.433   43.180   3.6730   37.932   4.2523 5.248013 5.618987 
1 1 1   13   35    8 o   2.4551   1.1589  -2.0190   1.7571  -1.6000   2.1781  -2.8000   2.9736   2.9729   1.3642   3.3242   1.5492 -0.3513477 2.064281 
1 1 1   13   35    9 o   36.322   2.3424  158.423   19.983  141.400   27.921  176.300   28.612   33.939   3.5359   38.052   3.2144 -4.112995 4.778590 
1 1 1   13   35   10 o   36.895   2.5313  163.988   21.920  194.200   30.904  133.400   31.096   39.894   3.3105   32.712   4.1168 7.181938 5.282710 
1 1 1   13   35   11 o   50.775   3.1625  313.147   37.729  340.500   53.214  285.500   53.500   52.319   4.3467   47.599   4.8266 4.720238 6.495362 
1 1 1   13   35   12 o   64.716   3.5432  511.910   53.941  435.100   75.638  591.400   76.947   58.212   5.5706   68.640   4.7771 -10.42780 7.338376 
1 1 1   13   35   13 o   28.550   2.0926   97.859   14.010   90.700   19.624  105.300   20.006   27.206   3.1106   29.398   2.9206 -2.191895 4.266865 
1 1 1   13   35   14 o   13.599   1.8767   22.446   5.8659   27.000   8.0173   17.200   8.6051   14.834   2.3684   11.709   3.0734 3.125274 3.880070 
1 1 1   13   35   15 o   24.957   1.9821   74.785   11.585   71.400   16.348   78.200   16.418   24.144   2.9273   25.321   2.7923 -1.177513 4.045466 
1 1 1   13   35   16 o   31.335   2.1969  118.062   16.153  128.400   22.886  107.800   22.801   32.432   3.0233   29.592   3.3204 2.840147 4.490561 
1 1 1   13   35   17 o   23.198   1.9232   64.646   10.440   58.300   14.759   71.000   14.769   21.766   2.9475   24.146   2.6330 -2.380360 3.952228 
1 1 1   13   35   18 o   20.685   1.8707   51.446   9.0385   62.000   12.755   40.800   12.810   22.595   2.4286   18.097   3.1097 4.498331 3.945725 
1 1 1   13   35   19 o   29.966   2.1321  108.024   14.988  118.800   21.323   97.500   21.072   31.185   2.9300   28.122   3.2320 3.063160 4.362463 
1 1 1   13   35   20 o   10.338   1.7708   13.092   4.1672   15.800   5.9584   10.500   5.8304   11.274   2.3157   9.2024   2.5794 2.071386 3.466360 
1 1 1   13   35   21 o   30.422   2.2060  111.652   15.740  111.300   22.333  112.000   22.186   30.028   3.1988   30.137   3.1649 -0.1089325 4.499862 
1 1 1   13   35   22 o   56.352   3.4036  392.413   45.077  361.600   63.711  423.300   63.788   52.563   5.2012   57.352   4.7529 -4.788944 7.045722 
1 1 1   13   35   23 o   16.267   1.7680   31.989   6.6818   33.700   9.4789   30.300   9.4204   16.516   2.5094   15.604   2.6516 0.9121761 3.650783 
1 1 1   13   35   24 o   55.909   3.4379  389.278   45.168  383.400   64.030  395.100   63.726   53.861   5.0950   54.811   4.9779 -0.9506111 7.123101 
1 1 1   13   35   25 o   30.829   3.2374  118.700   23.215   0.0000   0.0000  118.700   23.215  ?   ?    30.829   3.2374 0.000000 3.237378 
1 1 1   13   35   26 o   13.540   2.5251   23.000   7.7763   0.0000   0.0000   23.000   7.7763  ?   ?    13.540   2.5251 0.000000 2.525125 
1 1 1   13   35   27 o   30.094   3.2178  114.000   22.513   0.0000   0.0000  114.000   22.513  ?   ?    30.094   3.2178 0.000000 3.217794 
1 1 1   13   35   28 o   42.509   4.1220  235.900   40.856   0.0000   0.0000  235.900   40.856  ?   ?    42.509   4.1220 0.000000 4.121986 
1 1 1   13   35   29 o   22.900   2.8595   65.800   15.126   0.0000   0.0000   65.800   15.126  ?   ?    22.900   2.8595 0.000000 2.859498 
1 1 1   13   35   30 o   13.077   2.5954   21.700   7.7315   0.0000   0.0000   21.700   7.7315  ?   ?    13.077   2.5954 0.000000 2.595393 
1 1 1   13   35   31 o   38.511   3.8694  194.200   34.712   0.0000   0.0000  194.200   34.712  ?   ?    38.511   3.8694 0.000000 3.869387 
1 1 1   13   35   32 o   9.8242   2.7447   12.400   6.6128   0.0000   0.0000   12.400   6.6128  ?   ?    9.8242   2.7447 0.000000 2.744662 
1 1 1   13   35   33 o   36.938   3.9790  184.300   34.159   0.0000   0.0000  184.300   34.159  ?   ?    36.938   3.9790 0.000000 3.979001 
1 1 1   13   35   34 o   25.679   3.2131   87.100   19.057   0.0000   0.0000   87.100   19.057  ?   ?    25.679   3.2131 0.000000 3.213103 
1 1 1   13   35   35 o   16.125   2.9184   34.700   10.703   0.0000   0.0000   34.700   10.703  ?   ?    16.125   2.9184 0.000000 2.918377 
1 1 1   13   35   36 o   11.451   3.0184   18.200   8.2770   0.0000   0.0000   18.200   8.2770  ?   ?    11.451   3.0184 0.000000 3.018385 
1 1 1   13   35   37 o   6.4458   2.2295   5.0000   4.1312   0.0000   0.0000   5.0000   4.1312  ?   ?    6.4458   2.2295 0.000000 2.229508 
1 1 1   13   35   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   35   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   35   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   36    0 o   30.829   3.3428  117.500   23.610  117.500   23.610  117.500   23.610   30.829   3.3428   30.829   3.3428 0.000000 0.000000 
1 1 1   13   36    1 o   24.648   2.0688   72.943   11.930   74.400   16.912   71.500   16.830   24.685   2.9605   24.178   3.0132 0.5068016 4.224195 
1 1 1   13   36    2 o   49.507   3.0578  296.808   35.572  299.800   50.239  293.800   50.374   49.124   4.3768   48.592   4.4392 0.5315857 6.234021 
1 1 1   13   36    3 o   22.995   2.0317   63.523   10.919   58.000   15.776   68.600   15.126   21.693   3.1737   23.741   2.7490 -2.048239 4.198752 
1 1 1   13   36    4 o   40.204   2.5064  194.449   23.677  239.200   33.656  150.600   33.314   44.343   3.2365   34.789   4.1364 9.554420 5.252114 
1 1 1   13   36    5 o   28.167   2.1144   95.208   13.961  112.700   19.914   78.300   19.578   30.486   2.7974   25.201   3.3746 5.284777 4.383347 
1 1 1   13   36    6 o   34.204   2.3629  140.662   18.968  154.400   26.912  127.100   26.738   35.571   3.2395   32.126   3.5858 3.444576 4.832378 
1 1 1   13   36    7 f   36.442   2.3973  159.702   20.514  142.600   28.887  177.100   29.136   34.014   3.6538   38.094   3.2707 -4.080021 4.903846 
1 1 1   13   36    8 o   6.8695   2.1108   5.6356   3.7550   7.9000   4.7589   1.9000   6.1123   8.0493   2.3544   6.3484   2.5874 1.700898 3.498271 
1 1 1   13   36    9 o   30.076   2.1634  108.638   15.262  103.400   21.458  114.000   21.711   29.055   3.1794   30.565   3.0487 -1.510664 4.404961 
1 1 1   13   36   10 o   18.569   1.8441   41.468   7.9790   36.500   10.947   47.100   11.655   17.201   2.7907   19.644   2.5744 -2.443346 3.796780 
1 1 1   13   36   11 o   17.392   1.7570   36.365   7.1169   24.100   9.9715   49.100   10.161   13.846   3.1242   20.155   2.1691 -6.309327 3.803313 
1 1 1   13   36   12 o   39.544   2.6450  188.912   24.556  210.300   34.597  167.200   34.858   41.355   3.5781   36.610   4.1027 4.744846 5.443818 
1 1 1   13   36   13 o   27.197   2.0767   88.865   13.236   98.600   18.704   79.100   18.733   28.458   2.8205   25.345   3.2016 3.112982 4.266768 
1 1 1   13   36   14 o   10.326   1.8300   13.078   4.2989   9.3000   6.1024   16.800   6.0570   8.7729   2.6901   11.648   2.2837 -2.875596 3.528714 
1 1 1   13   36   15 o   35.206   2.3484  149.275   19.411  162.100   27.532  136.600   27.370   36.380   3.2388   33.255   3.5398 3.124378 4.797939 
1 1 1   13   36   16 o   22.701   1.8884   61.896   10.031   49.300   14.101   74.800   14.272   19.938   3.0955   24.831   2.4667 -4.893114 3.958082 
1 1 1   13   36   17 o   11.891   1.6740   17.157   4.5701   24.200   6.5559   10.500   6.3742   14.090   2.0289   9.2485   2.7305 4.841642 3.401783 
1 1 1   13   36   18 o   18.968   1.8218   43.308   8.0596   40.200   11.323   46.500   11.475   18.049   2.7430   19.489   2.5549 -1.440691 3.748557 
1 1 1   13   36   19 o   45.175   2.8767  248.617   30.527  231.600   43.257  265.500   43.087   42.765   4.3438   46.041   4.0030 -3.275291 5.906969 
1 1 1   13   36   20 o   19.812   1.8687   47.334   8.6391   44.700   12.423   49.800   12.022   18.983   2.8602   20.139   2.5878 -1.156078 3.857121 
1 1 1   13   36   21 o   2.4275   1.1260  -1.3500   1.5422  -5.6000   2.1810   2.9000   2.1810   2.1603   1.0759   5.0057   1.6184 -2.845430 1.943358 
1 1 1   13   36   22 o   26.649   2.0712   85.842   12.931   88.400   18.706   83.500   17.895   26.706   3.0193   25.966   2.9721 0.7397690 4.236692 
1 1 1   13   36   23 o   12.283   2.4616   18.900   6.8910   0.0000   0.0000   18.900   6.8910  ?   ?    12.283   2.4616 0.000000 2.461606 
1 1 1   13   36   24 o   5.4022   2.0370   2.6000   3.5429   0.0000   0.0000   2.6000   3.5429  ?   ?    5.4022   2.0370 0.000000 2.036954 
1 1 1   13   36   25 o   8.7910   2.4204   9.7000   5.1838   0.0000   0.0000   9.7000   5.1838  ?   ?    8.7910   2.4204 0.000000 2.420450 
1 1 1   13   36   26 o   18.903   2.6668   44.600   11.573   0.0000   0.0000   44.600   11.573  ?   ?    18.903   2.6668 0.000000 2.666804 
1 1 1   13   36   27 o   10.644   2.5341   14.400   6.2775   0.0000   0.0000   14.400   6.2775  ?   ?    10.644   2.5341 0.000000 2.534121 
1 1 1   13   36   28 o   11.477   2.6434   16.800   7.0161   0.0000   0.0000   16.800   7.0161  ?   ?    11.477   2.6434 0.000000 2.643379 
1 1 1   13   36   29 o   7.0513   2.2295   6.0000   4.1567   0.0000   0.0000   6.0000   4.1567  ?   ?    7.0513   2.2295 0.000000 2.229473 
1 1 1   13   36   30 o   16.470   2.6053   34.200   9.7954   0.0000   0.0000   34.200   9.7954  ?   ?    16.470   2.6053 0.000000 2.605320 
1 1 1   13   36   31 o   19.648   2.7217   48.900   12.288   0.0000   0.0000   48.900   12.288  ?   ?    19.648   2.7217 0.000000 2.721685 
1 1 1   13   36   32 o   10.912   2.8258   15.600   7.3392   0.0000   0.0000   15.600   7.3392  ?   ?    10.912   2.8258 0.000000 2.825841 
1 1 1   13   36   33 o   15.385   3.0804   31.600   10.801   0.0000   0.0000   31.600   10.801  ?   ?    15.385   3.0804 0.000000 3.080382 
1 1 1   13   36   34 o   17.455   2.9017   40.500   11.540   0.0000   0.0000   40.500   11.540  ?   ?    17.455   2.9017 0.000000 2.901698 
1 1 1   13   36   35 o   12.951   2.9207   23.000   8.7191   0.0000   0.0000   23.000   8.7191  ?   ?    12.951   2.9207 0.000000 2.920738 
1 1 1   13   36   36 o   6.4945   2.5264   4.1000   5.5671   0.0000   0.0000   4.1000   5.5671  ?   ?    6.4945   2.5264 0.000000 2.526437 
1 1 1   13   36   37 o   22.487   3.2425   71.700   16.720   0.0000   0.0000   71.700   16.720  ?   ?    22.487   3.2425 0.000000 3.242457 
1 1 1   13   36   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   36   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   37    1 o   13.850   1.9211   23.286   6.1140   27.700   8.5654   18.700   8.7298   15.005   2.5058   12.207   3.0401 2.798369 3.939703 
1 1 1   13   37    2 o   18.617   1.8750   41.694   8.1307   40.800   11.173   42.700   11.854   18.242   2.6732   18.643   2.7775 -0.4015961 3.854916 
1 1 1   13   37    3 o   69.492   4.1275  596.796   67.425  619.800   95.157  573.600   95.552   69.280   5.8719   66.342   6.1701 2.937256 8.517605 
1 1 1   13   37    4 o   28.969   2.1117  100.731   14.346   79.800   20.161  122.200   20.418   25.401   3.4505   31.752   2.7504 -6.350451 4.412580 
1 1 1   13   37    5 o   17.886   1.8382   38.491   7.6532   34.400   10.879   42.500   10.769   16.671   2.8667   18.663   2.5070 -1.991308 3.808279 
1 1 1   13   37    6 o   34.050   2.4079  139.613   19.235  146.700   26.991  132.300   27.419   34.601   3.3452   32.747   3.6056 1.854221 4.918396 
1 1 1   13   37    7 o   58.402   3.5025  417.050   48.079  452.000   67.994  382.100   67.994   59.886   4.8499   54.675   5.3344 5.210934 7.209517 
1 1 1   13   37    8 o   59.468   3.5749  433.105   49.968  394.600   70.715  471.500   70.614   55.441   5.4730   61.084   4.9378 -5.643124 7.371237 
1 1 1   13   37    9 o   24.772   1.9152   73.590   11.116   63.500   15.228   85.100   16.264   22.765   2.8985   26.477   2.6364 -3.712349 3.918174 
1 1 1   13   37   10 o   23.902   1.9836   68.639   11.095   73.700   15.631   63.500   15.750   24.589   2.7385   22.727   3.0088 1.862310 4.068489 
1 1 1   13   37   11 o   3.1888   1.4346  -1.1332   2.2645  -3.0000   2.5200   6.7000   5.1620   2.9129   1.3789   7.6102   2.4916 -4.697277 2.847732 
1 1 1   13   37   12 o   24.542   1.9892   72.360   11.429   68.600   16.077   76.200   16.249   23.649   2.9426   24.984   2.8025 -1.334396 4.063616 
1 1 1   13   37   13 o   24.427   2.0106   71.740   11.495   75.400   16.169   68.000   16.345   24.842   2.8055   23.515   3.0128 1.326954 4.116726 
1 1 1   13   37   14 o   30.823   2.2917  114.511   16.561   95.600   23.554  133.000   23.290   27.688   3.6947   32.993   3.0230 -5.304716 4.773834 
1 1 1   13   37   15 o   43.932   2.7597  233.976   28.484  223.600   40.235  244.400   40.329   42.300   4.0787   44.346   3.8906 -2.045731 5.636691 
1 1 1   13   37   16 o   28.975   2.1353  101.090   14.507  112.000   20.525   90.200   20.506   30.264   2.9078   27.000   3.2839 3.264339 4.386277 
1 1 1   13   37   17 o   21.995   1.8900   58.224   9.7209   50.200   13.725   66.300   13.770   20.121   2.9787   23.313   2.5426 -3.191616 3.916275 
1 1 1   13   37   18 o   13.763   1.7624   22.973   5.5959   25.000   7.9683   21.000   7.8605   14.204   2.4652   12.947   2.6600 1.256537 3.626703 
1 1 1   13   37   19 o   49.145   3.0029  295.987   34.681  318.700   49.169  273.500   48.924   50.155   4.1900   46.165   4.5469 3.989582 6.183057 
1 1 1   13   37   20 o   20.600   1.9210   51.286   9.2364   43.500   13.135   58.900   12.990   18.610   3.0981   21.904   2.5597 -3.294859 4.018744 
1 1 1   13   37   21 o   17.950   2.6794   40.000   11.009   0.0000   0.0000   40.000   11.009  ?   ?    17.950   2.6794 0.000000 2.679438 
1 1 1   13   37   22 o   33.867   3.4381  144.000   27.114   0.0000   0.0000  144.000   27.114  ?   ?    33.867   3.4381 0.000000 3.438111 
1 1 1   13   37   23 o   19.972   2.6984   49.600   12.400   0.0000   0.0000   49.600   12.400  ?   ?    19.972   2.6984 0.000000 2.698395 
1 1 1   13   37   24 o   10.544   2.5444   14.100   6.2626   0.0000   0.0000   14.100   6.2626  ?   ?    10.544   2.5444 0.000000 2.544414 
1 1 1   13   37   25 o   23.084   2.8409   66.600   15.159   0.0000   0.0000   66.600   15.159  ?   ?    23.084   2.8409 0.000000 2.840889 
1 1 1   13   37   26 o   11.573   2.5481   17.000   6.7752   0.0000   0.0000   17.000   6.7752  ?   ?    11.573   2.5481 0.000000 2.548139 
1 1 1   13   37   27 o   20.860   2.7546   54.500   13.236   0.0000   0.0000   54.500   13.236  ?   ?    20.860   2.7546 0.000000 2.754565 
1 1 1   13   37   28 o   28.854   3.1594  105.600   21.174   0.0000   0.0000  105.600   21.174  ?   ?    28.854   3.1594 0.000000 3.159368 
1 1 1   13   37   29 o   13.518   2.6467   23.300   8.1464   0.0000   0.0000   23.300   8.1464  ?   ?    13.518   2.6467 0.000000 2.646729 
1 1 1   13   37   30 o   15.944   2.6025   32.300   9.4606   0.0000   0.0000   32.300   9.4606  ?   ?    15.944   2.6025 0.000000 2.602536 
1 1 1   13   37   31 o   6.4686   2.3003   4.6000   4.4183   0.0000   0.0000   4.6000   4.4183  ?   ?    6.4686   2.3003 0.000000 2.300329 
1 1 1   13   37   32 o   7.7307   2.3338   7.6000   4.6177   0.0000   0.0000   7.6000   4.6177  ?   ?    7.7307   2.3338 0.000000 2.333793 
1 1 1   13   37   33 o   16.627   2.7742   36.600   10.509   0.0000   0.0000   36.600   10.509  ?   ?    16.627   2.7742 0.000000 2.774233 
1 1 1   13   37   34 o   12.213   2.8503   20.400   8.0700   0.0000   0.0000   20.400   8.0700  ?   ?    12.213   2.8503 0.000000 2.850317 
1 1 1   13   37   35 o   10.180   2.8924   14.400   7.2797   0.0000   0.0000   14.400   7.2797  ?   ?    10.180   2.8924 0.000000 2.892409 
1 1 1   13   37   36 o   7.5187   2.7030   7.0000   6.1162   0.0000   0.0000   7.0000   6.1162  ?   ?    7.5187   2.7030 0.000000 2.702985 
1 1 1   13   37   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   37   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   38    0 f   44.677   4.1518  246.900   42.932  246.900   42.932  246.900   42.932   44.677   4.1518   44.677   4.1518 0.000000 0.000000 
1 1 1   13   38    1 o   15.787   1.9592   30.167   7.1466   24.300   10.517   35.200   9.7408   13.883   3.2633   16.952   2.5093 -3.068686 4.116523 
1 1 1   13   38    2 o   22.410   1.8811   60.263   9.8621   73.800   14.244   47.800   13.668   24.682   2.4774   19.667   3.0412 5.015551 3.922547 
1 1 1   13   38    3 o   17.127   1.9590   35.429   7.7802   34.600   10.870   36.300   11.140   16.717   2.8563   17.133   2.8539 -0.4159565 4.037708 
1 1 1   13   38    4 o   5.0273   2.0429   1.2093   3.7962   10.900   5.2631  -9.3000   5.4809   9.3586   2.3770   3.9088   1.8970 5.449822 3.041172 
1 1 1   13   38    5 o   31.779   2.3453  121.648   17.475  106.700   24.968  136.000   24.466   29.320   3.6879   33.358   3.1430 -4.037861 4.845474 
1 1 1   13   38    6 o   28.822   2.2225   99.969   15.010   85.700   21.394  113.800   21.063   26.286   3.5365   30.551   2.9566 -4.265205 4.609629 
1 1 1   13   38    7 o   42.550   2.7451  219.022   27.434  203.800   38.762  234.300   38.834   40.439   4.1166   43.541   3.8156 -3.101559 5.612918 
1 1 1   13   38    8 o   23.483   1.9851   66.274   10.905   72.900   15.981   60.500   14.917   24.428   2.8224   22.200   2.9162 2.228546 4.058328 
1 1 1   13   38    9 o   50.044   3.1050  304.834   36.511  319.400   51.574  290.200   51.693   50.505   4.3675   47.964   4.6213 2.540806 6.358536 
1 1 1   13   38   10 o   53.137   3.2367  344.600   40.419  356.400   57.283  332.900   57.040   53.173   4.6077   51.267   4.7663 1.905895 6.629374 
1 1 1   13   38   11 o   33.207   2.3153  132.838   18.042  148.600   25.606  117.300   25.424   34.848   3.1457   30.773   3.5648 4.075373 4.754265 
1 1 1   13   38   12 o   15.576   1.7915   29.290   6.4695   25.500   9.0789   33.200   9.2213   14.299   2.7890   16.452   2.4482 -2.153450 3.711086 
1 1 1   13   38   13 o   16.122   1.7740   31.354   6.6418   30.700   9.4233   32.000   9.3627   15.758   2.6248   16.116   2.5448 -0.3575706 3.655863 
1 1 1   13   38   14 o   27.940   2.0955   94.004   13.725   92.700   19.441   95.300   19.379   27.449   3.0510   27.856   2.9930 -0.4072189 4.273985 
1 1 1   13   38   15 o   31.798   2.1363  121.808   15.947  156.200   22.684   88.200   22.424   35.823   2.7015   26.493   3.6842 9.330395 4.568495 
1 1 1   13   38   16 o   47.474   2.5725  273.268   28.731  355.700   40.957  193.400   40.315   53.779   3.2403   38.878   4.4729 14.90132 5.523231 
1 1 1   13   38   17 o   14.751   1.7762   26.365   6.0625   22.400   8.6466   30.200   8.5027   13.331   2.8340   15.658   2.3740 -2.327368 3.696976 
1 1 1   13   38   18 f   25.843   2.0967   80.777   12.685   58.700   18.012  102.500   17.867   21.451   3.6890   28.941   2.6436 -7.490715 4.538444 
1 1 1   13   38   19 o   57.464   5.2827  438.800   70.880   0.0000   0.0000  438.800   70.880  ?   ?    57.464   5.2827 0.000000 5.282721 
1 1 1   13   38   20 o   31.854   3.3088  126.900   24.525   0.0000   0.0000  126.900   24.525  ?   ?    31.854   3.3088 0.000000 3.308802 
1 1 1   13   38   21 o   42.589   4.0781  233.300   40.511   0.0000   0.0000  233.300   40.511  ?   ?    42.589   4.0781 0.000000 4.078050 
1 1 1   13   38   22 o   32.176   3.3327  130.400   24.954   0.0000   0.0000  130.400   24.954  ?   ?    32.176   3.3327 0.000000 3.332668 
1 1 1   13   38   23 o   14.000   2.6167   24.700   8.3324   0.0000   0.0000   24.700   8.3324  ?   ?    14.000   2.6167 0.000000 2.616670 
1 1 1   13   38   24 o   21.520   2.7973   57.900   13.879   0.0000   0.0000   57.900   13.879  ?   ?    21.520   2.7973 0.000000 2.797324 
1 1 1   13   38   25 o   27.284   3.0908   93.700   19.562   0.0000   0.0000   93.700   19.562  ?   ?    27.284   3.0908 0.000000 3.090778 
1 1 1   13   38   26 o   17.596   2.6095   38.800   10.514   0.0000   0.0000   38.800   10.514  ?   ?    17.596   2.6095 0.000000 2.609513 
1 1 1   13   38   27 o   34.944   3.5727  157.400   29.066   0.0000   0.0000  157.400   29.066  ?   ?    34.944   3.5727 0.000000 3.572718 
1 1 1   13   38   28 o   23.468   2.9189   69.900   15.827   0.0000   0.0000   69.900   15.827  ?   ?    23.468   2.9189 0.000000 2.918941 
1 1 1   13   38   29 o   9.5049   2.4251   11.600   5.4607   0.0000   0.0000   11.600   5.4607  ?   ?    9.5049   2.4251 0.000000 2.425067 
1 1 1   13   38   30 o   16.999   2.9846   37.900   11.543   0.0000   0.0000   37.900   11.543  ?   ?    16.999   2.9846 0.000000 2.984588 
1 1 1   13   38   31 o   9.6723   2.8641   12.400   7.0044   0.0000   0.0000   12.400   7.0044  ?   ?    9.6723   2.8641 0.000000 2.864089 
1 1 1   13   38   32 o   18.291   2.9556   44.900   12.330   0.0000   0.0000   44.900   12.330  ?   ?    18.291   2.9556 0.000000 2.955554 
1 1 1   13   38   33 o   13.633   2.6617   24.900   8.2614   0.0000   0.0000   24.900   8.2614  ?   ?    13.633   2.6617 0.000000 2.661700 
1 1 1   13   38   34 o   9.7989   2.6434   13.100   6.2574   0.0000   0.0000   13.100   6.2574  ?   ?    9.7989   2.6434 0.000000 2.643416 
1 1 1   13   38   35 o   3.9251   1.7243  -0.5000   3.0801   0.0000   0.0000  -0.5000   3.0801  ?   ?    3.9251   1.7243 0.000000 1.724304 
1 1 1   13   38   36 o   4.2253   1.9323  -2.3000   4.3189   0.0000   0.0000  -2.3000   4.3189  ?   ?    4.2253   1.9323 0.000000 1.932346 
1 1 1   13   39    0 o   46.595   4.2972  269.200   46.356  269.200   46.356  269.200   46.356   46.595   4.2972   46.595   4.2972 0.000000 0.000000 
1 1 1   13   39    1 o   41.713   3.9368  216.000   38.319   0.0000   0.0000  216.000   38.319  ?   ?    41.713   3.9368 0.000000 3.936828 
1 1 1   13   39    2 o   15.291   1.9714   28.352   6.9522   31.800   10.434   25.600   9.3232   16.000   2.8669   14.322   2.8570 1.678775 4.047442 
1 1 1   13   39    3 o   35.761   2.4236  154.163   20.345  168.100   28.759  140.200   28.786   37.024   3.3249   33.644   3.6836 3.380245 4.962237 
1 1 1   13   39    4 f   8.7013   2.3242   9.3907   4.8660   16.000   6.4404   0.6000   7.4276   11.330   2.4764   6.5811   2.7806 4.748997 3.723453 
1 1 1   13   39    5 o   8.7759   2.2936   9.5663   4.8059   13.500   6.0601   2.9000   7.8890   10.397   2.4992   7.2918   2.9514 3.105548 3.867388 
1 1 1   13   39    6 o   34.053   2.3852  139.784   19.059  120.200   27.011  159.200   26.896   31.089   3.7555   36.070   3.1906 -4.981350 4.927878 
1 1 1   13   39    7 o   67.607   4.0316  566.854   64.069  564.300   90.682  569.400   90.533   65.693   5.9090   66.035   5.8670 -0.3424377 8.326968 
1 1 1   13   39    8 o   40.850   2.6438  201.929   25.366  217.400   36.016  186.700   35.732   41.931   3.6745   38.691   3.9671 3.239376 5.407411 
1 1 1   13   39    9 f   62.745   3.5025  483.739   51.688  373.100   72.674  597.000   73.530   53.227   5.8803   68.822   4.5502 -15.59489 7.435167 
1 1 1   13   39   10 o   43.291   2.7583  227.501   28.050  264.600   39.695  190.500   39.643   46.230   3.6663   38.780   4.4074 7.450706 5.732924 
1 1 1   13   39   11 o   48.818   3.0798  291.307   35.321  236.800   50.000  345.600   49.902   42.786   5.0460   52.552   4.0526 -9.766369 6.471852 
1 1 1   13   39   12 o   13.726   1.8148   22.875   5.7377   32.000   9.0314   16.700   7.4298   16.125   2.4490   11.517   2.7666 4.607607 3.694779 
1 1 1   13   39   13 o   18.310   1.8950   40.506   8.0749   38.500   11.752   42.300   11.114   17.573   2.9355   18.534   2.6119 -0.9611225 3.929296 
1 1 1   13   39   14 o   15.689   1.7696   29.763   6.4413   31.100   9.2406   28.500   8.9836   15.850   2.5558   15.145   2.6059 0.7048998 3.650071 
1 1 1   13   39   15 o   29.548   2.1865  105.586   15.148  100.600   21.501  110.500   21.344   28.432   3.2615   29.899   3.0665 -1.466755 4.476710 
1 1 1   13   39   16 o   30.155   3.2070  113.000   22.485   0.0000   0.0000  113.000   22.485  ?   ?    30.155   3.2070 0.000000 3.206960 
1 1 1   13   39   17 o   31.626   3.2845  124.700   24.171   0.0000   0.0000  124.700   24.171  ?   ?    31.626   3.2845 0.000000 3.284460 
1 1 1   13   39   18 o   52.098   4.8372  357.200   58.830   0.0000   0.0000  357.200   58.830  ?   ?    52.098   4.8372 0.000000 4.837205 
1 1 1   13   39   19 o   45.551   4.3147  269.000   45.856   0.0000   0.0000  269.000   45.856  ?   ?    45.551   4.3147 0.000000 4.314672 
1 1 1   13   39   20 o   9.8599   2.5729   12.300   6.0539   0.0000   0.0000   12.300   6.0539  ?   ?    9.8599   2.5729 0.000000 2.572908 
1 1 1   13   39   21 o   24.744   2.9301   76.500   16.788   0.0000   0.0000   76.500   16.788  ?   ?    24.744   2.9301 0.000000 2.930095 
1 1 1   13   39   22 o   30.106   3.2290  114.200   22.597   0.0000   0.0000  114.200   22.597  ?   ?    30.106   3.2290 0.000000 3.228960 
1 1 1   13   39   23 o   35.533   3.5754  161.000   29.592   0.0000   0.0000  161.000   29.592  ?   ?    35.533   3.5754 0.000000 3.575354 
1 1 1   13   39   24 o   23.657   2.8802   70.200   15.758   0.0000   0.0000   70.200   15.758  ?   ?    23.657   2.8802 0.000000 2.880237 
1 1 1   13   39   25 o   24.460   2.9487   75.400   16.688   0.0000   0.0000   75.400   16.688  ?   ?    24.460   2.9487 0.000000 2.948706 
1 1 1   13   39   26 o   12.030   2.4907   18.400   6.8427   0.0000   0.0000   18.400   6.8427  ?   ?    12.030   2.4907 0.000000 2.490721 
1 1 1   13   39   27 o   5.6414   2.1543   2.8000   3.9944   0.0000   0.0000   2.8000   3.9944  ?   ?    5.6414   2.1543 0.000000 2.154271 
1 1 1   13   39   28 o   9.7604   2.4810   12.300   5.7306   0.0000   0.0000   12.300   5.7306  ?   ?    9.7604   2.4810 0.000000 2.481044 
1 1 1   13   39   29 o   7.3513   2.3456   6.7000   4.5929   0.0000   0.0000   6.7000   4.5929  ?   ?    7.3513   2.3456 0.000000 2.345585 
1 1 1   13   39   30 o   4.4828   1.9837  -1.0000   4.1472   0.0000   0.0000  -1.0000   4.1472  ?   ?    4.4828   1.9837 0.000000 1.983679 
1 1 1   13   39   31 f   17.428   2.8179   40.500   11.201   0.0000   0.0000   40.500   11.201  ?   ?    17.428   2.8179 0.000000 2.817873 
1 1 1   13   39   32 o   13.148   2.9467   23.800   8.9221   0.0000   0.0000   23.800   8.9221  ?   ?    13.148   2.9467 0.000000 2.946719 
1 1 1   13   39   33 o   9.7071   2.7032   12.900   6.4253   0.0000   0.0000   12.900   6.4253  ?   ?    9.7071   2.7032 0.000000 2.703173 
1 1 1   13   39   34 o   5.6776   2.2953   2.4000   4.7656   0.0000   0.0000   2.4000   4.7656  ?   ?    5.6776   2.2953 0.000000 2.295340 
1 1 1   13   39   35 o   3.9174   1.8053  -2.5000   3.8702   0.0000   0.0000  -2.5000   3.8702  ?   ?    3.9174   1.8053 0.000000 1.805342 
1 1 1   13   40    0 o   16.995   3.2232   38.000   11.581   38.000   11.581   38.000   11.581   16.995   3.2232   16.995   3.2232 0.000000 0.000000 
1 1 1   13   40    1 o   27.824   2.0750   93.109   13.535   67.200   18.914  120.300   19.377   23.168   3.5722   31.483   2.6305 -8.315182 4.436200 
1 1 1   13   40    2 o   13.861   1.8401   23.311   5.8740   27.700   8.2966   18.900   8.3176   15.000   2.4250   12.253   2.9167 2.747042 3.793098 
1 1 1   13   40    3 o   3.7043   1.5921  -0.1922   2.5091   1.9000   3.3982  -2.7000   3.7205   5.0669   1.9731   3.8812   1.7818 1.185695 2.658531 
1 1 1   13   40    4 o   51.577   3.1242  324.892   37.871  308.000   53.234  342.200   53.887   49.251   4.6317   52.089   4.4228 -2.837822 6.404205 
1 1 1   13   40    5 o   22.054   2.0132   58.642   10.369   60.000   14.219   57.100   15.152   22.106   2.7859   21.468   3.0769 0.6383934 4.150703 
1 1 1   13   40    6 o   24.862   1.9286   74.304   11.233   54.600   15.677   95.100   16.105   20.910   3.2832   28.000   2.4608 -7.090069 4.102993 
1 1 1   13   40    7 o   37.090   2.4593  166.427   21.417  151.900   29.964  181.600   30.623   34.904   3.6915   38.332   3.4191 -3.428345 5.031644 
1 1 1   13   40    8 o   32.888   2.3014  130.645   17.760  109.000   25.057  152.500   25.178   29.507   3.6758   35.255   3.0546 -5.747536 4.779291 
1 1 1   13   40    9 o   28.985   2.1712  101.376   14.752  111.500   20.940   91.400   20.787   30.128   2.9826   27.125   3.3143 3.002911 4.458717 
1 1 1   13   40   10 o   17.888   1.8107   38.609   7.5432   27.100   10.151   52.800   11.272   14.654   3.0334   20.818   2.3331 -6.163952 3.826852 
1 1 1   13   40   11 o   18.811   1.7991   42.663   7.8938   47.700   11.587   38.300   10.783   19.706   2.5498   17.588   2.6812 2.118280 3.700083 
1 1 1   13   40   12 f   16.458   1.8689   32.818   7.1341   32.500   10.401   33.100   9.8035   16.121   2.8358   16.333   2.6313 -0.2114754 3.868521 
1 1 1   13   40   13 o   29.901   3.1597  110.900   21.971   0.0000   0.0000  110.900   21.971  ?   ?    29.901   3.1597 0.000000 3.159677 
1 1 1   13   40   14 o   48.673   4.5260  305.700   51.424   0.0000   0.0000  305.700   51.424  ?   ?    48.673   4.5260 0.000000 4.526031 
1 1 1   13   40   15 o   39.143   3.7888  193.900   34.582   0.0000   0.0000  193.900   34.582  ?   ?    39.143   3.7888 0.000000 3.788842 
1 1 1   13   40   16 o   49.178   4.5935  315.800   52.726   0.0000   0.0000  315.800   52.726  ?   ?    49.178   4.5935 0.000000 4.593549 
1 1 1   13   40   17 o   16.096   2.5878   32.300   9.5027   0.0000   0.0000   32.300   9.5027  ?   ?    16.096   2.5878 0.000000 2.587790 
1 1 1   13   40   18 o   32.790   3.3753  135.500   25.761   0.0000   0.0000  135.500   25.761  ?   ?    32.790   3.3753 0.000000 3.375328 
1 1 1   13   40   19 o   6.8419   2.4012   5.1000   4.8003   0.0000   0.0000   5.1000   4.8003  ?   ?    6.8419   2.4012 0.000000 2.401193 
1 1 1   13   40   20 o   28.855   3.1543  104.600   21.143   0.0000   0.0000  104.600   21.143  ?   ?    28.855   3.1543 0.000000 3.154287 
1 1 1   13   40   21 o   18.110   2.6754   41.000   11.097   0.0000   0.0000   41.000   11.097  ?   ?    18.110   2.6754 0.000000 2.675422 
1 1 1   13   40   22 o   13.907   2.5841   24.400   8.1736   0.0000   0.0000   24.400   8.1736  ?   ?    13.907   2.5841 0.000000 2.584116 
1 1 1   13   40   23 o   18.848   2.7108   44.600   11.718   0.0000   0.0000   44.600   11.718  ?   ?    18.848   2.7108 0.000000 2.710810 
1 1 1   13   40   24 o   11.281   2.4950   16.200   6.4700   0.0000   0.0000   16.200   6.4700  ?   ?    11.281   2.4950 0.000000 2.495002 
1 1 1   13   40   25 o   14.640   2.6472   27.300   8.8146   0.0000   0.0000   27.300   8.8146  ?   ?    14.640   2.6472 0.000000 2.647196 
1 1 1   13   40   26 o   7.6074   2.3286   7.2000   4.5748   0.0000   0.0000   7.2000   4.5748  ?   ?    7.6074   2.3286 0.000000 2.328620 
1 1 1   13   40   27 o   25.111   3.0255   81.900   17.579   0.0000   0.0000   81.900   17.579  ?   ?    25.111   3.0255 0.000000 3.025539 
1 1 1   13   40   28 o   17.466   2.7250   39.700   10.872   0.0000   0.0000   39.700   10.872  ?   ?    17.466   2.7250 0.000000 2.724973 
1 1 1   13   40   29 o   5.6197   2.3600   1.2000   5.2987   0.0000   0.0000   1.2000   5.2987  ?   ?    5.6197   2.3600 0.000000 2.360044 
1 1 1   13   40   30 o   4.8600   2.0126   1.1000   3.7752   0.0000   0.0000   1.1000   3.7752  ?   ?    4.8600   2.0126 0.000000 2.012602 
1 1 1   13   40   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   40   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   40   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   40   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41    0 o   6.1248   3.1386   6.6000   5.7589   6.6000   5.7589   6.6000   5.7589   6.1248   3.1386   6.1248   3.1386 0.000000 0.000000 
1 1 1   13   41    1 o   20.270   1.8977   49.542   8.9776   45.900   12.229   53.800   13.222   19.277   2.7657   20.905   2.7448 -1.627205 3.896489 
1 1 1   13   41    2 o   15.813   2.8244   31.200   10.159   0.0000   0.0000   31.200   10.159  ?   ?    15.813   2.8244 0.000000 2.824390 
1 1 1   13   41    3 o   33.848   2.3863  138.684   18.951  112.300   26.844  164.900   26.758   29.820   3.9060   36.613   3.1249 -6.792673 5.002199 
1 1 1   13   41    4 o   24.672   2.1158   73.552   12.207   64.700   17.469   82.000   17.065   22.734   3.3550   25.833   2.8447 -3.099020 4.398667 
1 1 1   13   41    5 o   18.695   2.0078   42.338   8.7245   74.100   12.568   12.800   12.120   24.746   2.1728   10.732   3.8107 14.01455 4.386615 
1 1 1   13   41    6 o   13.594   1.9998   22.598   6.2274   26.600   9.8143   19.900   8.0573   14.526   2.9617   12.565   2.7885 1.961063 4.067792 
1 1 1   13   41    7 o   34.164   2.4941  141.806   19.982  106.900   28.448  175.800   28.074   28.827   4.3116   37.740   3.1798 -8.912996 5.357337 
1 1 1   13   41    8 o   4.5848   1.9716  -0.2515   3.8514   16.000   5.8218 -12.9000   5.1360   11.339   2.2537   3.3298   1.6572 8.008932 2.797408 
1 1 1   13   41    9 o   12.443   2.0732   19.065   5.8769   13.300   9.0934   23.200   7.7015   10.425   3.2977   13.653   2.4801 -3.228846 4.126215 
1 1 1   13   41   10 o   19.692   2.0157   47.006   9.2411   50.400   13.155   43.700   12.984   20.151   2.8437   18.671   3.0503 1.480230 4.170218 
1 1 1   13   41   11 o   15.993   2.6075   31.800   9.5082   0.0000   0.0000   31.800   9.5082  ?   ?    15.993   2.6075 0.000000 2.607504 
1 1 1   13   41   12 o   28.355   3.1211  100.100   20.552   0.0000   0.0000  100.100   20.552  ?   ?    28.355   3.1211 0.000000 3.121127 
1 1 1   13   41   13 o   16.095   2.6269   32.300   9.6393   0.0000   0.0000   32.300   9.6393  ?   ?    16.095   2.6269 0.000000 2.626856 
1 1 1   13   41   14 o   19.493   2.6963   47.200   12.079   0.0000   0.0000   47.200   12.079  ?   ?    19.493   2.6963 0.000000 2.696298 
1 1 1   13   41   15 o   18.838   2.7038   44.200   11.683   0.0000   0.0000   44.200   11.683  ?   ?    18.838   2.7038 0.000000 2.703769 
1 1 1   13   41   16 o   24.142   2.8763   72.600   16.075   0.0000   0.0000   72.600   16.075  ?   ?    24.142   2.8763 0.000000 2.876328 
1 1 1   13   41   17 o   20.536   2.7192   52.500   12.862   0.0000   0.0000   52.500   12.862  ?   ?    20.536   2.7192 0.000000 2.719234 
1 1 1   13   41   18 o   12.513   2.5994   19.800   7.4297   0.0000   0.0000   19.800   7.4297  ?   ?    12.513   2.5994 0.000000 2.599412 
1 1 1   13   41   19 o   27.062   3.0735   91.900   19.292   0.0000   0.0000   91.900   19.292  ?   ?    27.062   3.0735 0.000000 3.073510 
1 1 1   13   41   20 o   14.736   2.6567   27.400   8.9041   0.0000   0.0000   27.400   8.9041  ?   ?    14.736   2.6567 0.000000 2.656664 
1 1 1   13   41   21 o   11.166   2.6032   15.900   6.7376   0.0000   0.0000   15.900   6.7376  ?   ?    11.166   2.6032 0.000000 2.603235 
1 1 1   13   41   22 o   22.135   2.8540   61.700   14.570   0.0000   0.0000   61.700   14.570  ?   ?    22.135   2.8540 0.000000 2.853996 
1 1 1   13   41   23 o   33.894   3.5470  149.000   27.968   0.0000   0.0000  149.000   27.968  ?   ?    33.894   3.5470 0.000000 3.546982 
1 1 1   13   41   24 o   11.442   2.7509   17.000   7.3411   0.0000   0.0000   17.000   7.3411  ?   ?    11.442   2.7509 0.000000 2.750860 
1 1 1   13   41   25 o   16.301   2.9057   34.600   10.775   0.0000   0.0000   34.600   10.775  ?   ?    16.301   2.9057 0.000000 2.905745 
1 1 1   13   41   26 o   7.3493   2.4849   6.5000   5.1259   0.0000   0.0000   6.5000   5.1259  ?   ?    7.3493   2.4849 0.000000 2.484945 
1 1 1   13   41   27 o   10.589   3.0611   15.200   8.0866   0.0000   0.0000   15.200   8.0866  ?   ?    10.589   3.0611 0.000000 3.061114 
1 1 1   13   41   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   41   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42    0 o   42.161   4.0154  222.000   39.143  222.000   39.143  222.000   39.143   42.161   4.0154   42.161   4.0154 0.000000 0.000000 
1 1 1   13   42    1 o   44.243   2.8208  239.325   29.316  231.800   41.256  247.000   41.664   42.709   4.1429   44.172   4.0391 -1.463692 5.786044 
1 1 1   13   42    2 o   24.914   2.0222   74.954   11.794   54.900   16.599   95.400   16.760   20.814   3.5017   27.949   2.5683 -7.135275 4.342531 
1 1 1   13   42    3 o   37.173   2.5538  168.184   22.281  147.600   31.613  188.500   31.407   34.080   4.0047   38.895   3.4556 -4.815582 5.289487 
1 1 1   13   42    4 o   11.873   2.1789   17.471   5.8838   18.900   8.5751   16.200   8.0881   12.196   2.9986   11.306   2.9854 0.8895187 4.231314 
1 1 1   13   42    5 o   47.760   3.0541  280.776   34.264  339.000   48.446  222.500   48.467   51.767   3.9940   41.021   5.1146 10.74567 6.489352 
1 1 1   13   42    6 o   22.539   1.9734   61.421   10.397   65.800   14.932   57.300   14.485   23.071   2.7982   21.460   2.9353 1.610910 4.055345 
1 1 1   13   42    7 o   6.3117   2.2937   4.0000   4.4201   0.0000   0.0000   4.0000   4.4201  ?   ?    6.3117   2.2937 0.000000 2.293716 
1 1 1   13   42    8 o   51.117   4.7934  342.400   57.183   0.0000   0.0000  342.400   57.183  ?   ?    51.117   4.7934 0.000000 4.793362 
1 1 1   13   42    9 o   19.483   2.7624   47.200   12.353   0.0000   0.0000   47.200   12.353  ?   ?    19.483   2.7624 0.000000 2.762438 
1 1 1   13   42   10 o   11.118   2.5356   15.600   6.5091   0.0000   0.0000   15.600   6.5091  ?   ?    11.118   2.5356 0.000000 2.535601 
1 1 1   13   42   11 o   45.555   4.2948  268.500   45.654   0.0000   0.0000  268.500   45.654  ?   ?    45.555   4.2948 0.000000 4.294761 
1 1 1   13   42   12 o   7.9620   2.3787   7.8000   4.8155   0.0000   0.0000   7.8000   4.8155  ?   ?    7.9620   2.3787 0.000000 2.378671 
1 1 1   13   42   13 o   8.0504   2.3862   8.0000   4.8602   0.0000   0.0000   8.0000   4.8602  ?   ?    8.0504   2.3862 0.000000 2.386194 
1 1 1   13   42   14 o   39.412   3.8843  199.000   35.679   0.0000   0.0000  199.000   35.679  ?   ?    39.412   3.8843 0.000000 3.884305 
1 1 1   13   42   15 o   14.928   2.9130   28.300   9.8996   0.0000   0.0000   28.300   9.8996  ?   ?    14.928   2.9130 0.000000 2.912990 
1 1 1   13   42   16 o   10.467   3.0143   13.900   7.8545   0.0000   0.0000   13.900   7.8545  ?   ?    10.467   3.0143 0.000000 3.014251 
1 1 1   13   42   17 o   29.202   3.2142  107.500   21.797   0.0000   0.0000  107.500   21.797  ?   ?    29.202   3.2142 0.000000 3.214217 
1 1 1   13   42   18 o   19.824   2.9923   49.700   13.571   0.0000   0.0000   49.700   13.571  ?   ?    19.824   2.9923 0.000000 2.992304 
1 1 1   13   42   19 o   38.037   3.8592  187.500   34.183   0.0000   0.0000  187.500   34.183  ?   ?    38.037   3.8592 0.000000 3.859214 
1 1 1   13   42   20 o   16.164   2.9869   33.500   10.981   0.0000   0.0000   33.500   10.981  ?   ?    16.164   2.9869 0.000000 2.986949 
1 1 1   13   42   21 o   7.1639   2.6701   5.1000   6.0532   0.0000   0.0000   5.1000   6.0532  ?   ?    7.1639   2.6701 0.000000 2.670139 
1 1 1   13   42   22 o   32.289   3.5460  136.500   26.592   0.0000   0.0000  136.500   26.592  ?   ?    32.289   3.5460 0.000000 3.545976 
1 1 1   13   42   23 o   23.190   3.0751   69.800   16.424   0.0000   0.0000   69.800   16.424  ?   ?    23.190   3.0751 0.000000 3.075064 
1 1 1   13   42   24 o   13.606   3.0205   24.700   9.4513   0.0000   0.0000   24.700   9.4513  ?   ?    13.606   3.0205 0.000000 3.020462 
1 1 1   13   42   25 o   9.7456   3.0245   12.600   7.6876   0.0000   0.0000   12.600   7.6876  ?   ?    9.7456   3.0245 0.000000 3.024539 
1 1 1   13   42   26 o   24.650   3.1499   81.800   17.916   0.0000   0.0000   81.800   17.916  ?   ?    24.650   3.1499 0.000000 3.149940 
1 1 1   13   42   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   42   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   43    0 o   58.722   5.2737  441.800   71.771  441.800   71.771  441.800   71.771   58.722   5.2737   58.722   5.2737 0.000000 0.000000 
1 1 1   13   43    1 o   37.124   2.5235  168.155   21.990  182.300   31.094  154.000   31.104   38.112   3.4939   34.787   3.8511 3.324837 5.199801 
1 1 1   13   43    2 o   5.4215   2.1892   1.6276   4.3298 -10.7000   6.4747   11.600   5.8234   4.2575   2.0652   9.5993   2.5325 -5.341804 3.267765 
1 1 1   13   43    3 o   21.876   2.8562   59.500   14.402   0.0000   0.0000   59.500   14.402  ?   ?    21.876   2.8562 0.000000 2.856152 
1 1 1   13   43    4 o   61.691   5.8434  523.500   84.109   0.0000   0.0000  523.500   84.109  ?   ?    61.691   5.8434 0.000000 5.843354 
1 1 1   13   43    5 o   9.6756   2.9608   11.600   7.3967   0.0000   0.0000   11.600   7.3967  ?   ?    9.6756   2.9608 0.000000 2.960832 
1 1 1   13   43    6 o   25.751   3.0333   82.700   18.090   0.0000   0.0000   82.700   18.090  ?   ?    25.751   3.0333 0.000000 3.033274 
1 1 1   13   43    7 o   18.785   2.8178   44.100   12.114   0.0000   0.0000   44.100   12.114  ?   ?    18.785   2.8178 0.000000 2.817764 
1 1 1   13   43    8 o   41.624   4.0821  222.800   39.606   0.0000   0.0000  222.800   39.606  ?   ?    41.624   4.0821 0.000000 4.082106 
1 1 1   13   43    9 o   44.685   4.2637  258.600   44.443   0.0000   0.0000  258.600   44.443  ?   ?    44.685   4.2637 0.000000 4.263657 
1 1 1   13   43   10 o   33.712   3.4924  143.600   27.398   0.0000   0.0000  143.600   27.398  ?   ?    33.712   3.4924 0.000000 3.492399 
1 1 1   13   43   11 o   8.2176   2.4909   8.3000   5.2524   0.0000   0.0000   8.3000   5.2524  ?   ?    8.2176   2.4909 0.000000 2.490871 
1 1 1   13   43   12 o   10.031   2.8799   12.700   7.1800   0.0000   0.0000   12.700   7.1800  ?   ?    10.031   2.8799 0.000000 2.879923 
1 1 1   13   43   13 o   35.120   3.6305  157.000   29.673   0.0000   0.0000  157.000   29.673  ?   ?    35.120   3.6305 0.000000 3.630486 
1 1 1   13   43   14 o   20.644   2.9029   53.500   13.760   0.0000   0.0000   53.500   13.760  ?   ?    20.644   2.9029 0.000000 2.902903 
1 1 1   13   43   15 o   12.248   2.9881   19.300   8.5653   0.0000   0.0000   19.300   8.5653  ?   ?    12.248   2.9881 0.000000 2.988124 
1 1 1   13   43   16 o   25.075   3.0798   79.300   17.852   0.0000   0.0000   79.300   17.852  ?   ?    25.075   3.0798 0.000000 3.079780 
1 1 1   13   43   17 o   40.783   4.0456  217.600   38.446   0.0000   0.0000  217.600   38.446  ?   ?    40.783   4.0456 0.000000 4.045637 
1 1 1   13   43   18 o   37.134   3.8173  180.000   32.997   0.0000   0.0000  180.000   32.997  ?   ?    37.134   3.8173 0.000000 3.817300 
1 1 1   13   43   19 o   2.3410   1.1882 -12.6000   3.4151   0.0000   0.0000 -12.6000   3.4151  ?   ?    2.3410   1.1882 0.000000 1.188161 
1 1 1   13   43   20 o   20.600   2.9636   54.500   14.001   0.0000   0.0000   54.500   14.001  ?   ?    20.600   2.9636 0.000000 2.963597 
1 1 1   13   43   21 o   21.422   2.9751   59.400   14.644   0.0000   0.0000   59.400   14.644  ?   ?    21.422   2.9751 0.000000 2.975144 
1 1 1   13   43   22 o   21.293   3.0523   59.500   14.909   0.0000   0.0000   59.500   14.909  ?   ?    21.293   3.0523 0.000000 3.052330 
1 1 1   13   43   23 f   4.3732   2.0611  -5.5000   5.5195   0.0000   0.0000  -5.5000   5.5195  ?   ?    4.3732   2.0611 0.000000 2.061104 
1 1 1   13   43   24 o   7.1617   2.7869   4.9000   6.7755   0.0000   0.0000   4.9000   6.7755  ?   ?    7.1617   2.7869 0.000000 2.786853 
1 1 1   13   43   25 o   11.591   2.8287   18.200   7.6743   0.0000   0.0000   18.200   7.6743  ?   ?    11.591   2.8287 0.000000 2.828729 
1 1 1   13   43   26 o   6.6139   2.4128   4.9000   4.8978   0.0000   0.0000   4.9000   4.8978  ?   ?    6.6139   2.4128 0.000000 2.412793 
1 1 1   13   43   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   43   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   43   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44    2 f   36.801   3.7666  172.400   32.271   0.0000   0.0000  172.400   32.271  ?   ?    36.801   3.7666 0.000000 3.766629 
1 1 1   13   44    3 o   11.617   2.8544   17.200   7.7738   0.0000   0.0000   17.200   7.7738  ?   ?    11.617   2.8544 0.000000 2.854360 
1 1 1   13   44    4 o   42.819   4.1580  236.500   41.512   0.0000   0.0000  236.500   41.512  ?   ?    42.819   4.1580 0.000000 4.158007 
1 1 1   13   44    5 o   16.473   2.8822   34.200   10.803   0.0000   0.0000   34.200   10.803  ?   ?    16.473   2.8822 0.000000 2.882195 
1 1 1   13   44    6 o   10.174   2.8091   13.100   6.9705   0.0000   0.0000   13.100   6.9705  ?   ?    10.174   2.8091 0.000000 2.809051 
1 1 1   13   44    7 o   49.088   4.7790  319.000   54.693   0.0000   0.0000  319.000   54.693  ?   ?    49.088   4.7790 0.000000 4.778996 
1 1 1   13   44    8 o   18.036   2.9470   41.000   12.118   0.0000   0.0000   41.000   12.118  ?   ?    18.036   2.9470 0.000000 2.946964 
1 1 1   13   44    9 o   19.088   2.9104   45.800   12.703   0.0000   0.0000   45.800   12.703  ?   ?    19.088   2.9104 0.000000 2.910405 
1 1 1   13   44   10 o   20.588   2.9600   53.300   13.976   0.0000   0.0000   53.300   13.976  ?   ?    20.588   2.9600 0.000000 2.959951 
1 1 1   13   44   11 o   22.146   2.9636   61.600   15.110   0.0000   0.0000   61.600   15.110  ?   ?    22.146   2.9636 0.000000 2.963648 
1 1 1   13   44   12 o   11.501   2.7522   16.900   7.3747   0.0000   0.0000   16.900   7.3747  ?   ?    11.501   2.7522 0.000000 2.752170 
1 1 1   13   44   13 o   26.294   3.2856   87.800   19.955   0.0000   0.0000   87.800   19.955  ?   ?    26.294   3.2856 0.000000 3.285627 
1 1 1   13   44   14 o   17.815   2.6977   39.900   10.993   0.0000   0.0000   39.900   10.993  ?   ?    17.815   2.6977 0.000000 2.697693 
1 1 1   13   44   15 o   8.5367   2.6750   9.0000   5.9973   0.0000   0.0000   9.0000   5.9973  ?   ?    8.5367   2.6750 0.000000 2.675047 
1 1 1   13   44   16 o   5.8278   2.5198  -0.3000   6.3593   0.0000   0.0000  -0.3000   6.3593  ?   ?    5.8278   2.5198 0.000000 2.519776 
1 1 1   13   44   17 o   20.844   2.9934   55.700   14.311   0.0000   0.0000   55.700   14.311  ?   ?    20.844   2.9934 0.000000 2.993389 
1 1 1   13   44   18 o   18.286   2.8064   42.900   11.731   0.0000   0.0000   42.900   11.731  ?   ?    18.286   2.8064 0.000000 2.806366 
1 1 1   13   44   19 o   24.692   3.0461   79.200   17.384   0.0000   0.0000   79.200   17.384  ?   ?    24.692   3.0461 0.000000 3.046129 
1 1 1   13   44   20 o   29.099   3.3823  112.800   22.807   0.0000   0.0000  112.800   22.807  ?   ?    29.099   3.3823 0.000000 3.382296 
1 1 1   13   44   21 o   4.8364   2.1757  -2.0000   5.2084   0.0000   0.0000  -2.0000   5.2084  ?   ?    4.8364   2.1757 0.000000 2.175745 
1 1 1   13   44   22 o   15.277   2.9830   31.400   10.375   0.0000   0.0000   31.400   10.375  ?   ?    15.277   2.9830 0.000000 2.982969 
1 1 1   13   44   23 o   13.446   2.6687   24.000   8.1741   0.0000   0.0000   24.000   8.1741  ?   ?    13.446   2.6687 0.000000 2.668717 
1 1 1   13   44   24 o   19.943   2.8684   53.200   13.119   0.0000   0.0000   53.200   13.119  ?   ?    19.943   2.8684 0.000000 2.868360 
1 1 1   13   44   25 o   14.841   2.8175   29.800   9.5127   0.0000   0.0000   29.800   9.5127  ?   ?    14.841   2.8175 0.000000 2.817508 
1 1 1   13   44   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   44   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45    8 o   8.2844   2.5833   8.4000   5.6006   0.0000   0.0000   8.4000   5.6006  ?   ?    8.2844   2.5833 0.000000 2.583261 
1 1 1   13   45    9 o   28.929   3.3331  106.300   22.352   0.0000   0.0000  106.300   22.352  ?   ?    28.929   3.3331 0.000000 3.333067 
1 1 1   13   45   10 o   32.804   3.5392  138.000   26.981   0.0000   0.0000  138.000   26.981  ?   ?    32.804   3.5392 0.000000 3.539218 
1 1 1   13   45   11 o   14.272   3.1071   26.400   10.174   0.0000   0.0000   26.400   10.174  ?   ?    14.272   3.1071 0.000000 3.107122 
1 1 1   13   45   12 o   27.506   3.1302   96.200   19.969   0.0000   0.0000   96.200   19.969  ?   ?    27.506   3.1302 0.000000 3.130217 
1 1 1   13   45   13 o   6.6681   2.6087   3.6000   5.9616   0.0000   0.0000   3.6000   5.9616  ?   ?    6.6681   2.6087 0.000000 2.608727 
1 1 1   13   45   14 o   16.282   2.9294   34.200   10.848   0.0000   0.0000   34.200   10.848  ?   ?    16.282   2.9294 0.000000 2.929385 
1 1 1   13   45   15 o   17.922   2.8904   41.400   11.816   0.0000   0.0000   41.400   11.816  ?   ?    17.922   2.8904 0.000000 2.890352 
1 1 1   13   45   16 o   6.1095   2.5418   1.6000   6.0618   0.0000   0.0000   1.6000   6.0618  ?   ?    6.1095   2.5418 0.000000 2.541820 
1 1 1   13   45   17 f   10.956   2.8827   15.900   7.5589   0.0000   0.0000   15.900   7.5589  ?   ?    10.956   2.8827 0.000000 2.882736 
1 1 1   13   45   18 o   10.157   3.2233   13.700   8.6823   0.0000   0.0000   13.700   8.6823  ?   ?    10.157   3.2233 0.000000 3.223292 
1 1 1   13   45   19 o   24.868   3.1586   82.500   18.130   0.0000   0.0000   82.500   18.130  ?   ?    24.868   3.1586 0.000000 3.158592 
1 1 1   13   45   20 o   17.549   2.8094   40.700   11.249   0.0000   0.0000   40.700   11.249  ?   ?    17.549   2.8094 0.000000 2.809380 
1 1 1   13   45   21 o   8.5251   2.6512   9.5000   5.9035   0.0000   0.0000   9.5000   5.9035  ?   ?    8.5251   2.6512 0.000000 2.651216 
1 1 1   13   45   22 o   9.8174   2.7204   13.000   6.5244   0.0000   0.0000   13.000   6.5244  ?   ?    9.8174   2.7204 0.000000 2.720397 
1 1 1   13   45   23 o   7.7796   2.5070   7.8000   5.2369   0.0000   0.0000   7.8000   5.2369  ?   ?    7.7796   2.5070 0.000000 2.506999 
1 1 1   13   45   24 o   12.650   2.7671   21.700   8.0355   0.0000   0.0000   21.700   8.0355  ?   ?    12.650   2.7671 0.000000 2.767118 
1 1 1   13   45   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   45   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   46   16 o   9.7549   2.7295   12.600   6.5346   0.0000   0.0000   12.600   6.5346  ?   ?    9.7549   2.7295 0.000000 2.729457 
1 1 1   13   46   17 o   24.888   3.2016   83.200   18.379   0.0000   0.0000   83.200   18.379  ?   ?    24.888   3.2016 0.000000 3.201553 
1 1 1   13   46   18 o   10.823   3.0622   16.000   8.1775   0.0000   0.0000   16.000   8.1775  ?   ?    10.823   3.0622 0.000000 3.062239 
1 1 1   13   46   19 o   16.647   3.1716   38.000   12.012   0.0000   0.0000   38.000   12.012  ?   ?    16.647   3.1716 0.000000 3.171572 
1 1 1   13   46   20 o   6.5209   2.6303   3.3000   6.2429   0.0000   0.0000   3.3000   6.2429  ?   ?    6.5209   2.6303 0.000000 2.630333 
1 1 1   13   46   21 o   22.466   3.2127   69.400   16.558   0.0000   0.0000   69.400   16.558  ?   ?    22.466   3.2127 0.000000 3.212707 
1 1 1   13   46   22 o   12.959   3.0170   23.200   9.0597   0.0000   0.0000   23.200   9.0597  ?   ?    12.959   3.0170 0.000000 3.016960 
1 1 1   13   46   23 o   14.613   3.1108   29.800   10.405   0.0000   0.0000   29.800   10.405  ?   ?    14.613   3.1108 0.000000 3.110810 
1 1 1   13   46   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   47   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   48   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   49   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   50   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   51    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   51    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   51    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   13   51    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0    0 o  130.546   10.169  2055.80  309.107  2055.80  309.107  2055.80  309.107  130.546   10.169  130.546   10.169 0.000000 0.000000 
1 1 1   14    0    1 o  309.532   16.314 11619.84  1184.88 11619.84  1184.88 11619.84  1184.88  309.532   16.314  309.532   16.314 0.000000 0.000000 
1 1 1   14    0    2 o  155.882   8.5219  2909.51  311.544  2909.51  311.544  2909.51  311.544  155.882   8.5219  155.882   8.5219 0.000000 0.000000 
1 1 1   14    0    3 o   52.840   3.0353  333.121   37.587  333.121   37.587  333.121   37.587   52.840   3.0353   52.840   3.0353 0.000000 0.000000 
1 1 1   14    0    4 o   5.6776   1.8674   4.8635   2.2218   4.8635   2.2218   4.8635   2.2218   5.6776   1.8674   5.6776   1.8674 0.000000 0.000000 
1 1 1   14    0    5 o   38.554   2.5140  177.810   22.664  177.810   22.664  177.810   22.664   38.554   2.5140   38.554   2.5140 0.000000 0.000000 
1 1 1   14    0    6 o   36.965   2.4372  163.496   21.062  163.496   21.062  163.496   21.062   36.965   2.4372   36.965   2.4372 0.000000 0.000000 
1 1 1   14    0    7 o   74.042   4.2006  654.383   72.902  654.383   72.902  654.383   72.902   74.042   4.2006   74.042   4.2006 0.000000 0.000000 
1 1 1   14    0    8 o   57.731   4.8780  402.600   65.406  402.600   65.406  402.600   65.406   57.731   4.8780   57.731   4.8780 0.000000 0.000000 
1 1 1   14    0    9 f  149.890   8.1734  2690.61  287.326  2690.61  287.326  2690.61  287.326  149.890   8.1734  149.890   8.1734 0.000000 0.000000 
1 1 1   14    0   10 o   38.612   2.5137  178.351   22.696  178.351   22.696  178.351   22.696   38.612   2.5137   38.612   2.5137 0.000000 0.000000 
1 1 1   14    0   11 o  118.888   6.4733  1689.54  180.500  1689.54  180.500  1689.54  180.500  118.888   6.4733  118.888   6.4733 0.000000 0.000000 
1 1 1   14    0   12 o   63.749   3.6806  485.159   54.982  485.159   54.982  485.159   54.982   63.749   3.6806   63.749   3.6806 0.000000 0.000000 
1 1 1   14    0   13 o  141.425   7.7310  2395.09  256.419  2395.09  256.419  2395.09  256.419  141.425   7.7310  141.425   7.7310 0.000000 0.000000 
1 1 1   14    0   14 o  165.588   8.8813  3288.62  344.988  3288.62  344.988  3288.62  344.988  165.588   8.8813  165.588   8.8813 0.000000 0.000000 
1 1 1   14    0   15 o   58.947   3.2701  414.454   45.198  414.454   45.198  414.454   45.198   58.947   3.2701   58.947   3.2701 0.000000 0.000000 
1 1 1   14    0   16 o  212.854   11.634  5470.76  580.784  5470.76  580.784  5470.76  580.784  212.854   11.634  212.854   11.634 0.000000 0.000000 
1 1 1   14    0   17 o  141.478   7.7039  2399.09  255.626  2399.09  255.626  2399.09  255.626  141.478   7.7039  141.478   7.7039 0.000000 0.000000 
1 1 1   14    0   18 o  294.856   16.251 10671.07  1123.65 10671.07  1123.65 10671.07  1123.65  294.856   16.251  294.856   16.251 0.000000 0.000000 
1 1 1   14    0   19 o   64.285   3.6588  493.473   55.129  493.473   55.129  493.473   55.129   64.285   3.6588   64.285   3.6588 0.000000 0.000000 
1 1 1   14    0   20 o  133.579   7.3438  2141.85  230.044  2141.85  230.044  2141.85  230.044  133.579   7.3438  133.579   7.3438 0.000000 0.000000 
1 1 1   14    0   21 o   78.993   4.2991  745.449   79.647  745.449   79.647  745.449   79.647   78.993   4.2991   78.993   4.2991 0.000000 0.000000 
1 1 1   14    0   22 o  207.770   10.312  5236.94  503.087  5236.94  503.087  5236.94  503.087  207.770   10.312  207.770   10.312 0.000000 0.000000 
1 1 1   14    0   23 o   47.192   4.1900  270.100   45.845  270.100   45.845  270.100   45.845   47.192   4.1900   47.192   4.1900 0.000000 0.000000 
1 1 1   14    0   24 o  149.792   12.002  2796.40  418.240  2796.40  418.240  2796.40  418.240  149.792   12.002  149.792   12.002 0.000000 0.000000 
1 1 1   14    0   25 o  106.121   8.5115  1383.80  210.133  1383.80  210.133  1383.80  210.133  106.121   8.5115  106.121   8.5115 0.000000 0.000000 
1 1 1   14    0   26 o   47.036   4.1751  268.900   45.532  268.900   45.532  268.900   45.532   47.036   4.1751   47.036   4.1751 0.000000 0.000000 
1 1 1   14    0   27 o   10.932   2.8374   16.700   6.3297   16.700   6.3297   16.700   6.3297   10.932   2.8374   10.932   2.8374 0.000000 0.000000 
1 1 1   14    0   28 o   16.326   2.7386   34.100   9.6650   34.100   9.6650   34.100   9.6650   16.326   2.7386   16.326   2.7386 0.000000 0.000000 
1 1 1   14    0   29 o   16.254   2.7226   33.800   9.5683   33.800   9.5683   33.800   9.5683   16.254   2.7226   16.254   2.7226 0.000000 0.000000 
1 1 1   14    0   30 o   15.381   2.8220   30.700   9.2311   30.700   9.2311   30.700   9.2311   15.381   2.8220   15.381   2.8220 0.000000 0.000000 
1 1 1   14    0   31 o   47.325   4.2306  273.600   46.408  273.600   46.408  273.600   46.408   47.325   4.2306   47.325   4.2306 0.000000 0.000000 
1 1 1   14    0   32 o   3.9454   2.1976   2.5000   3.0400   2.5000   3.0400   2.5000   3.0400   3.9454   2.1976   3.9454   2.1976 0.000000 0.000000 
1 1 1   14    0   33 o   50.663   4.4579  314.600   52.381  314.600   52.381  314.600   52.381   50.663   4.4579   50.663   4.4579 0.000000 0.000000 
1 1 1   14    0   34 o   8.0487   3.0450   10.400   5.4273   10.400   5.4273   10.400   5.4273   8.0487   3.0450   8.0487   3.0450 0.000000 0.000000 
1 1 1   14    0   35 o   17.460   2.7883   38.900   10.617   38.900   10.617   38.900   10.617   17.460   2.7883   17.460   2.7883 0.000000 0.000000 
1 1 1   14    0   36 o   68.164   5.8517  584.200   92.593  584.200   92.593  584.200   92.593   68.164   5.8517   68.164   5.8517 0.000000 0.000000 
1 1 1   14    0   37 o   63.101   5.4817  501.100   80.262  501.100   80.262  501.100   80.262   63.101   5.4817   63.101   5.4817 0.000000 0.000000 
1 1 1   14    0   38 o   6.3912   2.9279   7.1000   4.8241   7.1000   4.8241   7.1000   4.8241   6.3912   2.9279   6.3912   2.9279 0.000000 0.000000 
1 1 1   14    0   39 o   64.248   5.6503  526.700   84.198  526.700   84.198  526.700   84.198   64.248   5.6503   64.248   5.6503 0.000000 0.000000 
1 1 1   14    0   40 o   45.981   4.2517  264.500   45.257  264.500   45.257  264.500   45.257   45.981   4.2517   45.981   4.2517 0.000000 0.000000 
1 1 1   14    0   41 o   18.740   2.9172   45.000   11.977   45.000   11.977   45.000   11.977   18.740   2.9172   18.740   2.9172 0.000000 0.000000 
1 1 1   14    0   42 o   70.211   6.2630  645.900  101.937  645.900  101.937  645.900  101.937   70.211   6.2630   70.211   6.2630 0.000000 0.000000 
1 1 1   14    0   43 o   55.266   5.0400  393.100   64.516  393.100   64.516  393.100   64.516   55.266   5.0400   55.266   5.0400 0.000000 0.000000 
1 1 1   14    0   44 o   41.331   4.0512  217.200   38.667  217.200   38.667  217.200   38.667   41.331   4.0512   41.331   4.0512 0.000000 0.000000 
1 1 1   14    0   45 o   5.5051   2.7395   5.4000   4.3181   5.4000   4.3181   5.4000   4.3181   5.5051   2.7395   5.5051   2.7395 0.000000 0.000000 
1 1 1   14    0   46 o   1.4979   1.0997  -7.1000   2.6001  -7.1000   2.6001  -7.1000   2.6001   1.4979   1.0997   1.4979   1.0997 0.000000 0.000000 
1 1 1   14    0   47 o   14.885   2.9919   29.900   9.3234   29.900   9.3234   29.900   9.3234   14.885   2.9919   14.885   2.9919 0.000000 0.000000 
1 1 1   14    0   48 o   7.3611   3.3596   9.7000   6.3490   9.7000   6.3490   9.7000   6.3490   7.3611   3.3596   7.3611   3.3596 0.000000 0.000000 
1 1 1   14    0   49 o   12.272   3.1657   21.700   7.9289   21.700   7.9289   21.700   7.9289   12.272   3.1657   12.272   3.1657 0.000000 0.000000 
1 1 1   14    0   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    0   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1    0 o   12.597   2.6836   21.100   7.0154   21.100   7.0154   21.100   7.0154   12.597   2.6836   12.597   2.6836 0.000000 0.000000 
1 1 1   14    1    1 o  179.319   9.6153  3857.70  405.664  3845.40  573.635  3870.00  573.755  177.561   13.789  178.149   13.745 -0.5879059 19.46994 
1 1 1   14    1    2 o   17.104   1.6919   34.895   6.7440   37.300   9.5474   32.500   9.5276   17.611   2.3548   16.391   2.5441 1.220551 3.466639 
1 1 1   14    1    3 o   93.024   4.9947  1028.37  109.313  1176.70  154.635  880.200  154.549   99.293   6.6334   85.628   7.7267 13.66493 10.18349 
1 1 1   14    1    4 o   56.755   3.2862  382.194   43.853  362.900   62.007  401.500   62.028   55.137   4.8107   58.046   4.5620 -2.909012 6.629840 
1 1 1   14    1    5 o   38.194   2.4647  173.107   22.110  183.200   31.258  163.000   31.279   39.209   3.4100   36.942   3.6327 2.266979 4.982435 
1 1 1   14    1    6 o  102.050   5.4876  1238.83  131.753  1373.80  186.373  1104.00  186.280  107.165   7.4105   95.838   8.3137 11.32684 11.13696 
1 1 1   14    1    7 o  102.089   5.5714  1240.17  133.800  1403.30  189.212  1077.00  189.233  108.299   7.4440   94.589   8.5651 13.71022 11.34781 
1 1 1   14    1    8 o  101.234   5.7013  1220.17  135.736  1380.60  191.798  1059.20  192.121  107.371   7.6142   93.737   8.7820 13.63329 11.62319 
1 1 1   14    1    9 o  234.767   12.845  6702.48  709.368  7567.60  1003.03  5836.80  1003.36  246.619   17.334  214.612   20.031 32.00751 26.48931 
1 1 1   14    1   10 o   92.881   5.1245  1026.14  111.958  1109.30  158.295  942.900  158.371   96.283   7.0105   88.610   7.6436 7.672676 10.37170 
1 1 1   14    1   11 o   38.696   2.4787  177.702   22.530  197.100   31.861  158.300   31.865   40.682   3.3462   36.379   3.7638 4.303181 5.036191 
1 1 1   14    1   12 f  174.053   9.4539  3643.20  387.097  3828.20  547.212  3457.90  547.666  176.932   13.192  167.768   13.951 9.163437 19.20061 
1 1 1   14    1   13 f  221.649   12.066  5968.21  629.155  6414.70  889.606  5521.40  889.915  226.941   16.718  209.484   18.170 17.45673 24.69123 
1 1 1   14    1   14 o  266.885   14.709  8771.30  923.402  9123.20  1305.43  8418.90  1306.34  266.733   20.893  255.206   21.889 11.52669 30.25972 
1 1 1   14    1   15 o  269.767   14.943  8989.22  948.152  9390.90  1340.36  8586.90  1341.42  269.845   21.206  256.802   22.344 13.04343 30.80469 
1 1 1   14    1   16 o  133.486   7.2182  2132.47  226.678  2153.10  320.431  2111.80  320.711  133.228   10.264  131.897   10.381 1.331131 14.59878 
1 1 1   14    1   17 o  205.132   11.175  5115.60  539.256  5624.20  762.547  4606.80  762.700  212.496   15.299  190.994   17.092 21.50238 22.93897 
1 1 1   14    1   18 f  140.289   7.5960  2361.77  250.697  2390.80  354.387  2332.70  354.690  140.012   10.802  138.229   10.956 1.782928 15.38608 
1 1 1   14    1   19 o   67.959   3.8496  549.106   61.524  599.000   87.003  499.200   87.013   70.788   5.2422   64.497   5.7744 6.291290 7.798960 
1 1 1   14    1   20 o  143.117   7.7830  2467.34  262.040  2776.90  370.557  2157.70  370.605  150.669   10.481  131.992   12.022 18.67673 15.94925 
1 1 1   14    1   21 o   25.090   1.8078   74.792   10.639   88.000   15.109   61.800   14.984   27.172   2.3787   22.670   2.8630 4.502522 3.722246 
1 1 1   14    1   22 o   43.790   2.7386  227.931   28.175  243.300   39.806  212.500   39.885   45.117   3.7710   42.099   4.0626 3.017429 5.542992 
1 1 1   14    1   23 o   16.845   2.4668   34.300   9.5214   34.300   9.5214   0.0000   0.0000   16.845   2.4668  ?   ?  0.000000 2.466818 
1 1 1   14    1   24 o   88.959   7.1067  964.600  148.039  964.600  148.039   0.0000   0.0000   88.959   7.1067  ?   ?  0.000000 7.106695 
1 1 1   14    1   25 o   88.296   7.0884  954.400  146.547  954.400  146.547   0.0000   0.0000   88.296   7.0884  ?   ?  0.000000 7.088445 
1 1 1   14    1   26 o   45.955   4.0252  254.100   43.240  254.100   43.240   0.0000   0.0000   45.955   4.0252  ?   ?  0.000000 4.025219 
1 1 1   14    1   27 o  119.895   9.8699  1841.20  276.950  1841.20  276.950   0.0000   0.0000  119.895   9.8699  ?   ?  0.000000 9.869861 
1 1 1   14    1   28 o   59.309   4.9689  427.800   68.949  427.800   68.949   0.0000   0.0000   59.309   4.9689  ?   ?  0.000000 4.968950 
1 1 1   14    1   29 o   53.981   4.5996  354.000   58.072  354.000   58.072   0.0000   0.0000   53.981   4.5996  ?   ?  0.000000 4.599599 
1 1 1   14    1   30 o   50.360   4.3539  308.100   51.267  308.100   51.267   0.0000   0.0000   50.360   4.3539  ?   ?  0.000000 4.353895 
1 1 1   14    1   31 o   63.451   5.3182  495.400   78.947  495.400   78.947   0.0000   0.0000   63.451   5.3182  ?   ?  0.000000 5.318175 
1 1 1   14    1   32 o   36.055   3.4238  157.300   28.801  157.300   28.801   0.0000   0.0000   36.055   3.4238  ?   ?  0.000000 3.423849 
1 1 1   14    1   33 o   36.779   3.4725  164.100   29.802  164.100   29.802   0.0000   0.0000   36.779   3.4725  ?   ?  0.000000 3.472547 
1 1 1   14    1   34 o   25.318   2.8338   77.700   16.651   77.700   16.651   0.0000   0.0000   25.318   2.8338  ?   ?  0.000000 2.833771 
1 1 1   14    1   35 o   42.873   3.9069  225.900   39.118  225.900   39.118   0.0000   0.0000   42.873   3.9069  ?   ?  0.000000 3.906857 
1 1 1   14    1   36 o   20.958   2.6527   53.600   12.834   53.600   12.834   0.0000   0.0000   20.958   2.6527  ?   ?  0.000000 2.652657 
1 1 1   14    1   37 o   21.831   2.6943   58.300   13.595   58.300   13.595   0.0000   0.0000   21.831   2.6943  ?   ?  0.000000 2.694333 
1 1 1   14    1   38 o   45.192   4.1512  257.000   43.805  257.000   43.805   0.0000   0.0000   45.192   4.1512  ?   ?  0.000000 4.151228 
1 1 1   14    1   39 o   22.593   2.7509   62.800   14.373   62.800   14.373   0.0000   0.0000   22.593   2.7509  ?   ?  0.000000 2.750868 
1 1 1   14    1   40 o   10.338   2.3883   13.400   5.7130   13.400   5.7130   0.0000   0.0000   10.338   2.3883  ?   ?  0.000000 2.388308 
1 1 1   14    1   41 o   11.217   2.4666   15.800   6.3557   15.800   6.3557   0.0000   0.0000   11.217   2.4666  ?   ?  0.000000 2.466608 
1 1 1   14    1   42 o   12.728   2.4959   20.300   7.2334   20.300   7.2334   0.0000   0.0000   12.728   2.4959  ?   ?  0.000000 2.495935 
1 1 1   14    1   43 o   4.6110   1.7955   1.6000   2.8141   1.6000   2.8141   0.0000   0.0000   4.6110   1.7955  ?   ?  0.000000 1.795535 
1 1 1   14    1   44 o   5.6638   2.0690   3.2000   3.6033   3.2000   3.6033   0.0000   0.0000   5.6638   2.0690  ?   ?  0.000000 2.069028 
1 1 1   14    1   45 o   16.619   2.6273   34.900   9.9677   34.900   9.9677   0.0000   0.0000   16.619   2.6273  ?   ?  0.000000 2.627330 
1 1 1   14    1   46 o   5.2938   1.9384   2.8000   3.1652   2.8000   3.1652   0.0000   0.0000   5.2938   1.9384  ?   ?  0.000000 1.938358 
1 1 1   14    1   47 o   16.032   2.6801   32.900   9.7877   32.900   9.7877   0.0000   0.0000   16.032   2.6801  ?   ?  0.000000 2.680058 
1 1 1   14    1   48 o   6.7862   2.1772   5.6000   3.9529   5.6000   3.9529   0.0000   0.0000   6.7862   2.1772  ?   ?  0.000000 2.177152 
1 1 1   14    1   49 o   10.240   2.6216   13.800   6.3662   13.800   6.3662   0.0000   0.0000   10.240   2.6216  ?   ?  0.000000 2.621623 
1 1 1   14    1   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    1   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2    0 o  265.595   20.892  8738.40  1291.64  8738.40  1291.64  8738.40  1291.64  265.595   20.892  265.595   20.892 0.000000 0.000000 
1 1 1   14    2    1 o  157.654   8.4816  2973.53  314.589  2935.70  445.100  3011.30  444.693  155.558   12.215  157.619   12.039 -2.061157 17.15091 
1 1 1   14    2    2 o  127.194   6.6984  1927.91  200.478  2096.30  283.724  1760.00  283.314  132.136   9.1494  120.810   10.022 11.32549 13.57004 
1 1 1   14    2    3 o   87.725   4.8368  914.515   99.808  946.300  141.117  882.700  141.182   88.972   6.7676   85.871   7.0241 3.100975 9.753860 
1 1 1   14    2    4 o  113.813   6.1265  1542.42  164.046  1489.00  231.929  1595.90  232.064  111.294   8.8995  115.314   8.5839 -4.020004 12.36464 
1 1 1   14    2    5 o  131.335   6.9288  2057.08  214.120  2261.80  302.936  1852.70  302.688  137.171   9.4093  123.817   10.450 13.35403 14.06215 
1 1 1   14    2    6 o  101.275   5.2426  1219.36  124.945  1440.80  176.814  998.500  176.585  109.859   6.8499   91.110   8.2987 18.74850 10.76059 
1 1 1   14    2    7 o  138.263   6.7499  2273.32  220.376  2827.00  311.923  1721.50  311.396  153.600   8.6349  119.079   11.206 34.52175 14.14707 
1 1 1   14    2    8 f  118.342   6.4390  1669.50  179.260  1742.20  253.418  1596.70  253.607  120.365   8.9808  115.096   9.4136 5.268661 13.01036 
1 1 1   14    2    9 o  112.255   6.1339  1501.42  161.979  1621.70  229.011  1381.00  229.135  116.230   8.4006  107.038   9.1535 9.192192 12.42404 
1 1 1   14    2   10 o   27.093   2.0195   87.205   12.827   89.200   18.116   85.200   18.164   27.320   2.8502   26.684   2.9310 0.6361103 4.088322 
1 1 1   14    2   11 o   32.390   2.2189  124.554   16.869  131.800   23.850  117.300   23.862   33.243   3.0731   31.321   3.2748 1.921940 4.490861 
1 1 1   14    2   12 o   81.832   4.5306  795.904   87.206  931.300  123.326  660.500  123.329   88.342   5.9464   74.130   7.1335 14.21251 9.286961 
1 1 1   14    2   13 o  139.876   7.5944  2340.64  249.902  2418.30  353.222  2262.80  353.609  141.301   10.665  136.526   11.064 4.775681 15.36686 
1 1 1   14    2   14 o  182.082   9.9205  3997.53  424.934  4327.90  600.786  3666.80  601.109  187.776   13.643  172.110   14.939 15.66563 20.23077 
1 1 1   14    2   15 o   56.095   3.2751  373.556   43.194  393.500   61.075  353.600   61.095   57.438   4.5401   54.393   4.8060 3.044380 6.611373 
1 1 1   14    2   16 o  236.502   12.960  6853.09  720.996  6974.50  1019.05  6731.40  1020.24  234.192   18.580  229.700   18.980 4.491943 26.55995 
1 1 1   14    2   17 o   71.306   4.0540  604.391   67.980  656.500   96.101  552.200   96.176   74.121   5.5305   67.855   6.0663 6.266144 8.208925 
1 1 1   14    2   18 o   70.763   3.9948  595.313   66.479  614.200   93.982  576.400   94.048   71.646   5.5996   69.359   5.7954 2.287010 8.058650 
1 1 1   14    2   19 o  119.423   6.5212  1707.30  183.202  1755.60  258.942  1658.90  259.232  120.304   9.1844  116.824   9.4788 3.480095 13.19854 
1 1 1   14    2   20 o   41.593   2.5664  205.420   25.083  223.400   35.502  187.500   35.443   43.281   3.5038   39.582   3.8404 3.699024 5.198559 
1 1 1   14    2   21 o   62.458   3.5397  463.970   51.991  516.900   73.547  411.100   73.506   65.749   4.7696   58.486   5.3828 7.262970 7.191931 
1 1 1   14    2   22 o   88.526   5.0016  937.141  104.126  999.000  147.088  875.000  147.424   90.900   6.9041   84.879   7.4302 6.021370 10.14273 
1 1 1   14    2   23 o   8.6640   1.4380   9.1081   2.8388   11.900   4.0847   6.5000   3.9480   9.8765   1.8185   7.3471   2.1432 2.529469 2.810678 
1 1 1   14    2   24 o  104.751   8.3529  1350.80  204.894  1350.80  204.894   0.0000   0.0000  104.751   8.3529  ?   ?  0.000000 8.352856 
1 1 1   14    2   25 o  122.619   9.9174  1893.40  284.695  1893.40  284.695   0.0000   0.0000  122.619   9.9174  ?   ?  0.000000 9.917363 
1 1 1   14    2   26 o  114.766   9.3249  1661.50  250.525  1661.50  250.525   0.0000   0.0000  114.766   9.3249  ?   ?  0.000000 9.324935 
1 1 1   14    2   27 o   85.527   6.9421  903.000  138.992  903.000  138.992   0.0000   0.0000   85.527   6.9421  ?   ?  0.000000 6.942079 
1 1 1   14    2   28 o   84.493   6.9014  886.300  136.493  886.300  136.493   0.0000   0.0000   84.493   6.9014  ?   ?  0.000000 6.901403 
1 1 1   14    2   29 o   39.107   3.6012  184.500   32.882  184.500   32.882   0.0000   0.0000   39.107   3.6012  ?   ?  0.000000 3.601211 
1 1 1   14    2   30 f   30.845   3.1101  114.700   22.344  114.700   22.344   0.0000   0.0000   30.845   3.1101  ?   ?  0.000000 3.110105 
1 1 1   14    2   31 o   41.599   3.7656  209.600   36.588  209.600   36.588   0.0000   0.0000   41.599   3.7656  ?   ?  0.000000 3.765566 
1 1 1   14    2   32 f   39.437   3.6373  188.500   33.490  188.500   33.490   0.0000   0.0000   39.437   3.6373  ?   ?  0.000000 3.637268 
1 1 1   14    2   33 o   19.955   2.6075   48.300   11.993   48.300   11.993   0.0000   0.0000   19.955   2.6075  ?   ?  0.000000 2.607546 
1 1 1   14    2   34 o   30.793   3.1381  115.100   22.500  115.100   22.500   0.0000   0.0000   30.793   3.1381  ?   ?  0.000000 3.138111 
1 1 1   14    2   35 o   34.312   3.3582  143.700   26.860  143.700   26.860   0.0000   0.0000   34.312   3.3582  ?   ?  0.000000 3.358153 
1 1 1   14    2   36 o   23.607   2.7811   68.000   15.206   68.000   15.206   0.0000   0.0000   23.607   2.7811  ?   ?  0.000000 2.781057 
1 1 1   14    2   37 o   14.046   2.4987   24.400   7.9838   24.400   7.9838   0.0000   0.0000   14.046   2.4987  ?   ?  0.000000 2.498746 
1 1 1   14    2   38 o   35.285   3.4634  154.300   28.485  154.300   28.485   0.0000   0.0000   35.285   3.4634  ?   ?  0.000000 3.463400 
1 1 1   14    2   39 o   25.926   2.9140   82.800   17.531   82.800   17.531   0.0000   0.0000   25.926   2.9140  ?   ?  0.000000 2.914023 
1 1 1   14    2   40 o   17.514   2.5868   37.900   10.376   37.900   10.376   0.0000   0.0000   17.514   2.5868  ?   ?  0.000000 2.586818 
1 1 1   14    2   41 o   25.533   2.9031   80.600   17.192   80.600   17.192   0.0000   0.0000   25.533   2.9031  ?   ?  0.000000 2.903080 
1 1 1   14    2   42 o   17.077   2.5835   36.200   10.092   36.200   10.092   0.0000   0.0000   17.077   2.5835  ?   ?  0.000000 2.583513 
1 1 1   14    2   43 o   22.476   2.7663   62.900   14.372   62.900   14.372   0.0000   0.0000   22.476   2.7663  ?   ?  0.000000 2.766341 
1 1 1   14    2   44 o   8.3321   2.3881   8.7000   4.9409   8.7000   4.9409   0.0000   0.0000   8.3321   2.3881  ?   ?  0.000000 2.388127 
1 1 1   14    2   45 o   7.8435   2.2809   7.7000   4.4779   7.7000   4.4779   0.0000   0.0000   7.8435   2.2809  ?   ?  0.000000 2.280919 
1 1 1   14    2   46 o   3.8369   1.7032  -1.0000   3.0804  -1.0000   3.0804   0.0000   0.0000   3.8369   1.7032  ?   ?  0.000000 1.703161 
1 1 1   14    2   47 o   28.723   3.2107  106.900   21.404  106.900   21.404   0.0000   0.0000   28.723   3.2107  ?   ?  0.000000 3.210719 
1 1 1   14    2   48 o   14.533   2.6155   27.200   8.6455   27.200   8.6455   0.0000   0.0000   14.533   2.6155  ?   ?  0.000000 2.615484 
1 1 1   14    2   49 o   23.355   2.9325   71.300   15.816   71.300   15.816   0.0000   0.0000   23.355   2.9325  ?   ?  0.000000 2.932542 
1 1 1   14    2   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    2   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3    0 o  119.300   9.3435  1721.60  259.501  1721.60  259.501  1721.60  259.501  119.300   9.3435  119.300   9.3435 0.000000 0.000000 
1 1 1   14    3    1 o   96.656   5.1258  1110.39  116.574  1207.70  165.084  1013.60  164.638  100.538   6.9973   91.949   7.6521 8.588326 10.36903 
1 1 1   14    3    2 o  239.363   12.205  6930.83  687.560  7766.50  973.506  6099.10  971.211  250.967   16.519  220.891   18.798 30.07529 25.02547 
1 1 1   14    3    3 f  164.208   8.3701  3225.19  323.478  3771.90  457.767  2679.90  457.168  176.808   11.019  148.191   13.203 28.61734 17.19695 
1 1 1   14    3    4 o  124.437   6.6872  1845.87  195.775  1906.00  276.935  1785.80  276.800  125.880   9.3841  121.744   9.7092 4.136360 13.50295 
1 1 1   14    3    5 o  187.871   9.8547  4240.70  435.661  4636.40  616.429  3845.80  615.806  195.030   13.468  176.924   14.878 18.10556 20.06817 
1 1 1   14    3    6 o  249.149   11.914  7492.02  700.947  9256.50  992.383  5735.30  990.199  274.586   15.367  213.133   19.905 61.45343 25.14671 
1 1 1   14    3    7 o   87.915   4.5124  917.906   93.362  1088.00  132.188  748.600  131.882   95.553   5.8872   78.990   7.1479 16.56255 9.260220 
1 1 1   14    3    8 o   79.322   4.3929  747.494   81.961  824.700  115.916  670.300  115.906   83.128   5.9444   74.792   6.6316 8.336021 8.905829 
1 1 1   14    3    9 o  126.037   6.7636  1895.11  200.562  2013.60  283.680  1776.70  283.595  129.334   9.3517  121.278   9.9916 8.056236 13.68527 
1 1 1   14    3   10 o  231.901   12.458  6533.61  679.724  7150.50  961.385  5917.00  961.165  239.710   17.096  216.672   18.977 23.03822 25.54256 
1 1 1   14    3   11 o   94.733   5.0449  1067.23  112.447  1220.00  159.088  914.700  158.959  101.041   6.7058   87.223   7.8001 13.81851 10.28642 
1 1 1   14    3   12 o  277.113   15.379  9470.82  1002.40 10094.90  1417.07  8845.80  1418.14  280.477   21.561  260.772   23.275 19.70578 31.72688 
1 1 1   14    3   13 o  231.484   12.686  6527.97  690.817  6909.40  976.615  6146.00  977.311  234.776   17.747  220.464   18.957 14.31165 25.96808 
1 1 1   14    3   14 o  229.177   11.973  6384.18  645.718  5850.90  912.313  6919.50  914.056  215.452   18.100  235.616   16.534 -20.16359 24.51448 
1 1 1   14    3   15 o  117.179   6.4248  1639.20  177.098  1753.00  250.346  1525.20  250.564  120.610   8.8519  112.269   9.5419 8.341629 13.01554 
1 1 1   14    3   16 o  129.518   7.1144  2007.41  216.750  2158.50  306.373  1856.00  306.689  133.541   9.7838  123.504   10.619 10.03687 14.43931 
1 1 1   14    3   17 o   97.022   5.3924  1121.85  123.053  1241.70  173.951  1001.80  174.096  101.711   7.2910   91.100   8.1802 10.61084 10.95788 
1 1 1   14    3   18 o  128.727   7.0355  1985.39  213.047  2097.90  301.170  1872.70  301.419  131.461   9.7716  123.941   10.395 7.520691 14.26676 
1 1 1   14    3   19 o   28.096   2.0208   93.783   13.317  107.800   18.845   79.800   18.822   30.069   2.6822   25.773   3.1588 4.296680 4.143974 
1 1 1   14    3   20 o   53.822   3.1546  344.193   39.917  371.100   56.459  317.300   56.444   55.745   4.3230   51.463   4.6965 4.281487 6.383156 
1 1 1   14    3   21 o  137.831   7.4246  2291.22  240.755  2614.50  340.522  1968.10  340.437  146.076   9.9309  125.810   11.590 20.26647 15.26247 
1 1 1   14    3   22 o   62.517   3.6392  465.408   53.490  504.100   75.591  426.600   75.703   64.841   4.9749   59.522   5.4464 5.318817 7.376514 
1 1 1   14    3   23 o   27.394   1.9494   89.201   12.528  102.200   17.750   76.300   17.683   29.262   2.5958   25.189   3.0341 4.073303 3.992990 
1 1 1   14    3   24 o  146.633   7.9626  2632.40  274.675  2951.10  388.543  2314.00  388.356  153.021   10.823  134.105   12.404 18.91602 16.46200 
1 1 1   14    3   25 o   37.808   3.5030  171.500   30.919  171.500   30.919   0.0000   0.0000   37.808   3.5030  ?   ?  0.000000 3.502997 
1 1 1   14    3   26 o   92.146   7.4364  1048.90  160.430  1048.90  160.430   0.0000   0.0000   92.146   7.4364  ?   ?  0.000000 7.436394 
1 1 1   14    3   27 o   45.759   4.0188  252.400   42.985  252.400   42.985   0.0000   0.0000   45.759   4.0188  ?   ?  0.000000 4.018827 
1 1 1   14    3   28 o   50.851   4.3737  313.100   52.007  313.100   52.007   0.0000   0.0000   50.851   4.3737  ?   ?  0.000000 4.373724 
1 1 1   14    3   29 o   46.334   4.0743  259.800   44.124  259.800   44.124   0.0000   0.0000   46.334   4.0743  ?   ?  0.000000 4.074261 
1 1 1   14    3   30 o  130.884   11.475  2342.80  351.078  2342.80  351.078   0.0000   0.0000  130.884   11.475  ?   ?  0.000000 11.47526 
1 1 1   14    3   31 o   50.273   4.3636  307.800   51.287  307.800   51.287   0.0000   0.0000   50.273   4.3636  ?   ?  0.000000 4.363601 
1 1 1   14    3   32 o   29.728   3.0667  106.800   21.219  106.800   21.219   0.0000   0.0000   29.728   3.0667  ?   ?  0.000000 3.066732 
1 1 1   14    3   33 o   21.068   2.6536   53.800   12.908   53.800   12.908   0.0000   0.0000   21.068   2.6536  ?   ?  0.000000 2.653594 
1 1 1   14    3   34 o   50.902   4.4523  319.400   52.977  319.400   52.977   0.0000   0.0000   50.902   4.4523  ?   ?  0.000000 4.452257 
1 1 1   14    3   35 o   47.355   4.2238  277.200   46.736  277.200   46.736   0.0000   0.0000   47.355   4.2238  ?   ?  0.000000 4.223833 
1 1 1   14    3   36 o   26.558   2.9131   86.100   17.969   86.100   17.969   0.0000   0.0000   26.558   2.9131  ?   ?  0.000000 2.913073 
1 1 1   14    3   37 f   18.927   2.5903   43.900   11.273   43.900   11.273   0.0000   0.0000   18.927   2.5903  ?   ?  0.000000 2.590303 
1 1 1   14    3   38 o   27.549   3.0101   93.400   19.263   93.400   19.263   0.0000   0.0000   27.549   3.0101  ?   ?  0.000000 3.010064 
1 1 1   14    3   39 o   33.704   3.3661  141.000   26.431  141.000   26.431   0.0000   0.0000   33.704   3.3661  ?   ?  0.000000 3.366061 
1 1 1   14    3   40 o   51.575   4.7024  343.600   56.640  343.600   56.640   0.0000   0.0000   51.575   4.7024  ?   ?  0.000000 4.702427 
1 1 1   14    3   41 o   33.684   3.3775  141.600   26.503  141.600   26.503   0.0000   0.0000   33.684   3.3775  ?   ?  0.000000 3.377507 
1 1 1   14    3   42 o   13.665   2.4609   23.300   7.6487   23.300   7.6487   0.0000   0.0000   13.665   2.4609  ?   ?  0.000000 2.460931 
1 1 1   14    3   43 o   6.8169   2.1240   5.6000   3.7869   5.6000   3.7869   0.0000   0.0000   6.8169   2.1240  ?   ?  0.000000 2.123965 
1 1 1   14    3   44 o   13.161   2.5298   21.900   7.5765   21.900   7.5765   0.0000   0.0000   13.161   2.5298  ?   ?  0.000000 2.529816 
1 1 1   14    3   45 o   39.720   3.9613  208.600   36.659  208.600   36.659   0.0000   0.0000   39.720   3.9613  ?   ?  0.000000 3.961350 
1 1 1   14    3   46 o   10.829   2.5363   15.100   6.3718   15.100   6.3718   0.0000   0.0000   10.829   2.5363  ?   ?  0.000000 2.536334 
1 1 1   14    3   47 o   14.786   2.5615   27.900   8.6194   27.900   8.6194   0.0000   0.0000   14.786   2.5615  ?   ?  0.000000 2.561526 
1 1 1   14    3   48 o   8.6468   2.4434   9.6000   5.2098   9.6000   5.2098   0.0000   0.0000   8.6468   2.4434  ?   ?  0.000000 2.443402 
1 1 1   14    3   49 o   23.435   2.9863   72.100   16.151   72.100   16.151   0.0000   0.0000   23.435   2.9863  ?   ?  0.000000 2.986332 
1 1 1   14    3   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    3   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4    0 o   11.039   2.7433   16.800   6.1886   16.800   6.1886   16.800   6.1886   11.039   2.7433   11.039   2.7433 0.000000 0.000000 
1 1 1   14    4    1 o  198.535   10.705  4746.73  500.004  4235.60  707.164  5257.70  707.061  185.098   16.347  207.304   14.536 -22.20590 21.87510 
1 1 1   14    4    2 o  111.050   5.7634  1467.21  150.612  1613.80  213.322  1321.50  212.675  116.120   7.8254  104.856   8.6670 11.26370 11.67708 
1 1 1   14    4    3 o  233.677   12.390  6614.76  681.223  7175.00  963.770  6055.40  963.019  240.714   17.066  220.012   18.714 20.70198 25.32724 
1 1 1   14    4    4 f  135.384   7.2561  2187.66  231.128  2016.00  326.825  2359.40  326.903  129.085   10.822  139.963   9.9560 -10.87776 14.70492 
1 1 1   14    4    5 o  190.637   9.7902  4365.83  439.234  4986.10  621.585  3747.20  620.757  202.437   13.073  174.441   15.222 27.99687 20.06555 
1 1 1   14    4    6 o  106.691   5.7542  1354.86  144.434  1429.00  204.319  1280.80  204.202  109.184   7.9800  103.240   8.4503 5.944168 11.62274 
1 1 1   14    4    7 o  172.136   8.4768  3539.14  344.560  4226.70  487.765  2854.30  486.801  187.042   11.093  152.645   13.649 34.39723 17.58869 
1 1 1   14    4    8 o  160.679   8.2017  3089.64  310.153  3529.80  438.977  2650.90  438.268  170.907   10.935  147.394   12.717 23.51363 16.77131 
1 1 1   14    4    9 o  224.753   11.966  6123.13  632.760  6626.50  895.144  5620.40  894.572  231.178   16.506  211.827   18.057 19.35097 24.46422 
1 1 1   14    4   10 o  155.926   8.0450  2909.69  295.207  3324.80  417.767  2495.70  417.205  165.866   10.724  143.003   12.480 22.86359 16.45451 
1 1 1   14    4   11 o  200.575   10.383  4851.28  490.096  5494.20  693.542  4210.00  692.659  211.746   13.949  184.116   16.094 27.62926 21.29715 
1 1 1   14    4   12 o  131.431   6.9807  2062.85  215.875  2231.10  305.431  1894.90  305.155  136.043   9.5686  125.074   10.427 10.96906 14.15224 
1 1 1   14    4   13 o   89.885   4.9055  960.915  103.726  1000.50  146.755  921.400  146.625   91.414   6.8484   87.650   7.1465 3.764023 9.898117 
1 1 1   14    4   14 o   61.831   3.5627  453.970   51.798  494.400   73.235  413.500   73.271   64.386   4.8525   58.783   5.3368 5.603275 7.213037 
1 1 1   14    4   15 o   81.565   4.4796  790.999   85.949  762.100  121.442  820.000  121.658   79.746   6.5058   82.781   6.2702 -3.034981 9.035534 
1 1 1   14    4   16 o  199.877   10.803  4845.86  507.977  5296.50  718.416  4395.30  718.359  206.613   14.824  187.100   16.426 19.51233 22.12558 
1 1 1   14    4   17 o   98.484   5.3151  1155.61  123.147  1105.50  173.997  1205.90  174.315   95.826   7.7560  100.188   7.4209 -4.362007 10.73435 
1 1 1   14    4   18 o   21.061   1.8151   52.803   8.9388   52.300   12.680   53.300   12.603   20.865   2.6323   21.072   2.5871 -0.2076588 3.690800 
1 1 1   14    4   19 o   21.972   1.8403   57.450   9.4602   57.700   13.391   57.200   13.366   21.929   2.6390   21.831   2.6470 0.9794807E-01 3.737771 
1 1 1   14    4   20 o   94.113   5.1748  1057.36  114.561  1138.70  162.005  976.000  162.022   97.216   7.1064   89.799   7.7157 7.416985 10.48966 
1 1 1   14    4   21 o  169.935   9.4775  3526.44  378.798  3718.00  535.025  3333.90  536.380  171.808   13.291  161.962   14.167 9.845627 19.42590 
1 1 1   14    4   22 o   92.820   5.1846  1031.35  113.183  1073.50  159.867  989.000  160.264   94.098   7.2506   90.181   7.5966 3.916840 10.50146 
1 1 1   14    4   23 f   62.240   3.5497  461.569   51.954  480.900   73.534  442.300   73.414   63.266   4.9619   60.610   5.1792 2.655972 7.172503 
1 1 1   14    4   24 o   56.155   3.2377  375.708   42.751  400.600   60.509  350.900   60.408   57.762   4.4711   53.969   4.7899 3.792835 6.552413 
1 1 1   14    4   25 o   99.510   5.3827  1194.25  126.011  1316.30  178.315  1072.50  178.099  103.571   7.3385   93.003   8.1933 10.56755 10.99928 
1 1 1   14    4   26 o   81.151   6.5730  807.200  124.874  807.200  124.874   0.0000   0.0000   81.151   6.5730  ?   ?  0.000000 6.572994 
1 1 1   14    4   27 f   39.898   3.6448  191.600   33.960  191.600   33.960   0.0000   0.0000   39.898   3.6448  ?   ?  0.000000 3.644813 
1 1 1   14    4   28 o   57.501   4.8496  402.000   65.234  402.000   65.234   0.0000   0.0000   57.501   4.8496  ?   ?  0.000000 4.849601 
1 1 1   14    4   29 o  125.974   10.786  2116.40  317.769  2116.40  317.769   0.0000   0.0000  125.974   10.786  ?   ?  0.000000 10.78644 
1 1 1   14    4   30 o   37.198   3.4901  167.100   30.297  167.100   30.297   0.0000   0.0000   37.198   3.4901  ?   ?  0.000000 3.490067 
1 1 1   14    4   31 o   55.612   4.7499  378.300   61.778  378.300   61.778   0.0000   0.0000   55.612   4.7499  ?   ?  0.000000 4.749917 
1 1 1   14    4   32 o   43.809   3.9221  233.300   40.144  233.300   40.144   0.0000   0.0000   43.809   3.9221  ?   ?  0.000000 3.922103 
1 1 1   14    4   33 o   41.573   3.7904  210.400   36.801  210.400   36.801   0.0000   0.0000   41.573   3.7904  ?   ?  0.000000 3.790355 
1 1 1   14    4   34 o   43.928   3.9601  236.400   40.637  236.400   40.637   0.0000   0.0000   43.928   3.9601  ?   ?  0.000000 3.960124 
1 1 1   14    4   35 o   21.979   2.6959   58.800   13.698   58.800   13.698   0.0000   0.0000   21.979   2.6959  ?   ?  0.000000 2.695925 
1 1 1   14    4   36 o   60.232   5.2769  463.400   74.297  463.400   74.297   0.0000   0.0000   60.232   5.2769  ?   ?  0.000000 5.276918 
1 1 1   14    4   37 o   34.146   3.3722  143.700   26.835  143.700   26.835   0.0000   0.0000   34.146   3.3722  ?   ?  0.000000 3.372186 
1 1 1   14    4   38 o   15.193   2.4734   28.500   8.5680   28.500   8.5680   0.0000   0.0000   15.193   2.4734  ?   ?  0.000000 2.473350 
1 1 1   14    4   39 o   25.954   2.9186   83.000   17.577   83.000   17.577   0.0000   0.0000   25.954   2.9186  ?   ?  0.000000 2.918560 
1 1 1   14    4   40 o   5.9428   2.0338   3.9000   3.4341   3.9000   3.4341   0.0000   0.0000   5.9428   2.0338  ?   ?  0.000000 2.033824 
1 1 1   14    4   41 o   37.488   3.6338  176.600   31.763  176.600   31.763   0.0000   0.0000   37.488   3.6338  ?   ?  0.000000 3.633798 
1 1 1   14    4   42 o   13.982   2.4883   24.400   7.9144   24.400   7.9144   0.0000   0.0000   13.982   2.4883  ?   ?  0.000000 2.488348 
1 1 1   14    4   43 o   18.493   2.6118   42.600   11.088   42.600   11.088   0.0000   0.0000   18.493   2.6118  ?   ?  0.000000 2.611842 
1 1 1   14    4   44 o   10.115   2.4185   13.000   5.6986   13.000   5.6986   0.0000   0.0000   10.115   2.4185  ?   ?  0.000000 2.418493 
1 1 1   14    4   45 o   13.179   2.5383   22.100   7.6129   22.100   7.6129   0.0000   0.0000   13.179   2.5383  ?   ?  0.000000 2.538292 
1 1 1   14    4   46 o   26.346   3.0256   88.900   18.481   88.900   18.481   0.0000   0.0000   26.346   3.0256  ?   ?  0.000000 3.025571 
1 1 1   14    4   47 o   4.4222   1.7585   1.3000   2.7492   1.3000   2.7492   0.0000   0.0000   4.4222   1.7585  ?   ?  0.000000 1.758496 
1 1 1   14    4   48 f   12.361   2.5827   19.800   7.2955   19.800   7.2955   0.0000   0.0000   12.361   2.5827  ?   ?  0.000000 2.582671 
1 1 1   14    4   49 o   7.3086   2.2853   6.7000   4.3797   6.7000   4.3797   0.0000   0.0000   7.3086   2.2853  ?   ?  0.000000 2.285312 
1 1 1   14    4   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    4   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5    0 o  131.082   10.238  2081.30  312.438  2081.30  312.438  2081.30  312.438  131.082   10.238  131.082   10.238 0.000000 0.000000 
1 1 1   14    5    1 o  148.788   7.9152  2645.97  277.095  2810.20  392.092  2482.10  391.651  152.516   10.960  143.061   11.696 9.454575 16.02859 
1 1 1   14    5    2 o  254.814   13.307  7893.42  797.942  8884.40  1129.08  6904.60  1127.84  267.257   17.996  233.584   20.661 33.67259 27.39913 
1 1 1   14    5    3 o  115.688   5.9417  1592.89  161.768  1828.00  229.024  1358.80  228.527  123.594   7.8885  106.205   9.2034 17.38924 12.12148 
1 1 1   14    5    4 o  109.669   5.8883  1431.73  151.929  1562.50  214.914  1301.10  214.807  114.196   8.0208  103.986   8.8317 10.21014 11.93024 
1 1 1   14    5    5 o   13.903   1.6409   23.150   5.2834   21.100   7.4718   25.200   7.4718   13.144   2.4986   14.430   2.2677 -1.285215 3.374208 
1 1 1   14    5    6 o  188.030   9.0704  4229.51  402.730  5204.20  570.160  3259.00  568.935  207.374   11.691  162.618   14.985 44.75543 19.00577 
1 1 1   14    5    7 o   82.422   4.5267  807.158   87.765  888.300  124.151  726.100  124.087   86.261   6.1350   77.835   6.8201 8.425743 9.173460 
1 1 1   14    5    8 o   58.330   3.3462  403.780   45.897  433.900   64.929  373.700   64.887   60.343   4.5911   55.928   4.9649 4.415852 6.762278 
1 1 1   14    5    9 o  181.954   9.4725  3978.27  405.586  4482.50  573.886  3475.10  573.287  191.851   12.740  168.004   14.596 23.84695 19.37396 
1 1 1   14    5   10 o  187.289   9.8184  4221.14  432.712  4694.90  612.244  3748.30  611.651  196.035   13.305  174.260   15.011 21.77505 20.05844 
1 1 1   14    5   11 o   52.674   2.9848  329.152   36.974  363.400   52.402  295.200   52.176   55.253   4.0445   49.714   4.4932 5.539005 6.045341 
1 1 1   14    5   12 o   28.374   2.0026   95.594   13.332  105.700   18.906   85.600   18.801   29.778   2.7188   26.733   3.0320 3.044403 4.072431 
1 1 1   14    5   13 o  246.186   12.568  7382.35  728.196  8660.00  1030.57  6108.40  1029.08  263.714   16.635  218.663   20.157 45.05086 26.13469 
1 1 1   14    5   14 f  204.327   11.003  5057.94  528.943  5243.60  748.162  4872.40  747.914  205.507   15.532  197.662   16.165 7.845261 22.41778 
1 1 1   14    5   15 o  116.912   6.3669  1631.85  175.110  1724.20  247.582  1539.40  247.705  119.586   8.8299  112.807   9.3841 6.779030 12.88524 
1 1 1   14    5   16 o  115.485   6.2093  1592.02  168.706  1533.40  238.429  1650.80  238.742  112.644   9.0399  116.998   8.7038 -4.354042 12.54895 
1 1 1   14    5   17 o  133.166   7.2232  2124.64  226.286  2197.70  319.932  2051.50  320.102  134.505   10.148  129.787   10.536 4.718033 14.62786 
1 1 1   14    5   18 o  114.371   6.2279  1563.87  167.564  1596.50  236.893  1531.20  237.050  114.859   8.8012  112.408   9.0062 2.451454 12.59257 
1 1 1   14    5   19 o   44.341   2.6515  233.415   27.635  263.900   39.136  203.100   39.028   47.063   3.5477   41.184   4.0663 5.879757 5.396333 
1 1 1   14    5   20 o   56.354   3.2967  377.511   43.679  397.600   61.755  357.400   61.789   57.665   4.5727   54.609   4.8419 3.055809 6.659832 
1 1 1   14    5   21 o   86.457   4.9010  893.007   99.646  1010.50  140.797  775.100  141.045   91.579   6.5542   79.863   7.5695 11.71581 10.01270 
1 1 1   14    5   22 o  124.045   6.9237  1858.29  201.997  2099.50  285.497  1616.50  285.837  130.723   9.3097  113.873   10.758 16.85019 14.22654 
1 1 1   14    5   23 o  136.011   7.4831  2250.09  239.410  2306.40  338.453  2193.70  338.701  135.708   10.647  132.114   10.956 3.594543 15.27703 
1 1 1   14    5   24 o  157.436   8.6958  3061.21  322.024  3279.60  455.457  2842.90  455.365  159.677   12.171  147.556   13.209 12.12099 17.96114 
1 1 1   14    5   25 o  105.181   5.8005  1339.19  143.510  1414.50  202.970  1263.90  202.936  106.880   8.1025  100.693   8.6179 6.186363 11.82872 
1 1 1   14    5   26 o   59.718   3.4779  426.314   48.831  402.900   69.079  449.700   69.037   57.630   5.1298   60.997   4.8326 -3.367325 7.047604 
1 1 1   14    5   27 o   79.707   4.4903  765.601   84.171  801.500  119.034  729.700  119.039   80.789   6.2891   76.906   6.6194 3.883575 9.130713 
1 1 1   14    5   28 o  105.317   8.7009  1415.30  214.446  1415.30  214.446   0.0000   0.0000  105.317   8.7009  ?   ?  0.000000 8.700868 
1 1 1   14    5   29 o   55.556   4.7216  375.700   61.355  375.700   61.355   0.0000   0.0000   55.556   4.7216  ?   ?  0.000000 4.721603 
1 1 1   14    5   30 o   42.543   3.8336  219.100   38.098  219.100   38.098   0.0000   0.0000   42.543   3.8336  ?   ?  0.000000 3.833565 
1 1 1   14    5   31 o   71.055   5.9222  627.100   98.462  627.100   98.462   0.0000   0.0000   71.055   5.9222  ?   ?  0.000000 5.922222 
1 1 1   14    5   32 o   34.646   3.3438  145.300   27.017  145.300   27.017   0.0000   0.0000   34.646   3.3438  ?   ?  0.000000 3.343839 
1 1 1   14    5   33 o   55.596   4.7752  381.000   62.082  381.000   62.082   0.0000   0.0000   55.596   4.7752  ?   ?  0.000000 4.775233 
1 1 1   14    5   34 o   14.874   2.4504   27.100   8.3068   27.100   8.3068   0.0000   0.0000   14.874   2.4504  ?   ?  0.000000 2.450449 
1 1 1   14    5   35 o   21.386   2.6678   55.700   13.179   55.700   13.179   0.0000   0.0000   21.386   2.6678  ?   ?  0.000000 2.667791 
1 1 1   14    5   36 o   37.636   3.5814  174.600   31.445  174.600   31.445   0.0000   0.0000   37.636   3.5814  ?   ?  0.000000 3.581379 
1 1 1   14    5   37 o   53.189   4.7497  359.700   59.029  359.700   59.029   0.0000   0.0000   53.189   4.7497  ?   ?  0.000000 4.749724 
1 1 1   14    5   38 o   23.843   2.7888   69.800   15.405   69.800   15.405   0.0000   0.0000   23.843   2.7888  ?   ?  0.000000 2.788821 
1 1 1   14    5   39 f   24.255   2.8646   72.500   16.090   72.500   16.090   0.0000   0.0000   24.255   2.8646  ?   ?  0.000000 2.864639 
1 1 1   14    5   40 o   16.211   2.5111   32.500   9.3015   32.500   9.3015   0.0000   0.0000   16.211   2.5111  ?   ?  0.000000 2.511149 
1 1 1   14    5   41 o   21.668   2.7226   58.000   13.623   58.000   13.623   0.0000   0.0000   21.668   2.7226  ?   ?  0.000000 2.722600 
1 1 1   14    5   42 o   9.6751   2.4656   11.800   5.6493   11.800   5.6493   0.0000   0.0000   9.6751   2.4656  ?   ?  0.000000 2.465582 
1 1 1   14    5   43 o   11.299   2.4011   16.100   6.2087   16.100   6.2087   0.0000   0.0000   11.299   2.4011  ?   ?  0.000000 2.401086 
1 1 1   14    5   44 o   20.936   2.7031   54.900   13.051   54.900   13.051   0.0000   0.0000   20.936   2.7031  ?   ?  0.000000 2.703073 
1 1 1   14    5   45 o   19.525   2.6747   48.100   12.008   48.100   12.008   0.0000   0.0000   19.525   2.6747  ?   ?  0.000000 2.674713 
1 1 1   14    5   46 o   5.4850   2.0636   2.8000   3.6322   2.8000   3.6322   0.0000   0.0000   5.4850   2.0636  ?   ?  0.000000 2.063642 
1 1 1   14    5   47 o   4.2731   1.7155   1.1000   2.6418   1.1000   2.6418   0.0000   0.0000   4.2731   1.7155  ?   ?  0.000000 1.715493 
1 1 1   14    5   48 o   24.237   2.9298   75.900   16.427   75.900   16.427   0.0000   0.0000   24.237   2.9298  ?   ?  0.000000 2.929815 
1 1 1   14    5   49 o   24.717   3.2263   81.700   18.381   81.700   18.381   0.0000   0.0000   24.717   3.2263  ?   ?  0.000000 3.226278 
1 1 1   14    5   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    5   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6    0 o   13.681   2.6869   24.500   7.7249   24.500   7.7249   24.500   7.7249   13.681   2.6869   13.681   2.6869 0.000000 0.000000 
1 1 1   14    6    1 o   56.903   3.2567  384.176   43.578  403.600   61.748  364.900   61.511   58.200   4.5286   55.294   4.7573 2.906128 6.568156 
1 1 1   14    6    2 o  171.600   8.9661  3529.32  362.054  3903.40  512.316  3156.10  511.727  179.391   12.166  160.674   13.615 18.71635 18.25910 
1 1 1   14    6    3 o  154.847   8.1676  2868.20  297.591  3084.40  421.096  2652.50  420.617  159.689   11.239  147.721   12.166 11.96732 16.56299 
1 1 1   14    6    4 o  153.348   7.7634  2809.85  280.205  3274.20  396.631  2347.20  395.909  164.866   10.239  138.878   12.196 25.98761 15.92408 
1 1 1   14    6    5 o   60.532   3.1206  434.437   44.454  541.300   62.989  328.400   62.746   67.509   3.9688   52.380   5.1391 15.12866 6.493205 
1 1 1   14    6    6 o  164.381   8.7557  3238.89  338.638  3395.90  479.073  3082.10  478.740  167.163   12.221  158.967   12.864 8.196274 17.74374 
1 1 1   14    6    7 o   93.911   5.1459  1048.91  113.678  1078.20  160.747  1019.60  160.784   94.886   7.2287   92.216   7.4473 2.669769 10.37864 
1 1 1   14    6    8 o  137.735   7.4041  2266.78  239.930  2291.20  339.418  2242.40  339.207  137.654   10.522  136.138   10.636 1.516129 14.96113 
1 1 1   14    6    9 o  162.222   8.1724  3150.09  312.050  3717.20  441.661  2584.80  440.951  175.421   10.713  145.361   12.983 30.05991 16.83259 
1 1 1   14    6   10 o   35.490   2.2995  149.470   19.167  162.000   27.140  137.000   27.074   36.876   3.1468   33.856   3.4340 3.020134 4.657801 
1 1 1   14    6   11 o  110.126   5.7103  1443.95  147.985  1623.40  209.489  1265.20  209.076  116.411   7.6637  102.474   8.7233 13.93753 11.61159 
1 1 1   14    6   12 o   71.804   3.9007  612.203   65.891  678.500   93.287  546.200   93.080   75.436   5.2701   67.552   5.8943 7.884621 7.906733 
1 1 1   14    6   13 o  278.037   15.260  9551.01  998.063  9486.20  1411.54  9615.80  1411.41  270.431   22.303  272.470   22.128 -2.038452 31.41775 
1 1 1   14    6   14 o  121.099   6.5266  1750.92  185.943  1804.70  263.036  1697.20  262.891  122.296   9.1752  118.493   9.4748 3.803627 13.18928 
1 1 1   14    6   15 o   83.340   4.6058  826.150   90.288  829.900  127.690  822.400  127.683   83.217   6.5510   82.833   6.5821 0.3847504 9.286515 
1 1 1   14    6   16 o   47.987   2.8815  273.342   32.500  278.600   45.997  268.100   45.928   48.320   4.0691   47.385   4.1463 0.9353447 5.809433 
1 1 1   14    6   17 o   58.959   3.3837  412.875   46.912  438.800   66.376  387.000   66.311   60.630   4.6722   56.870   4.9882 3.759155 6.834626 
1 1 1   14    6   18 o   42.756   2.6302  217.030   26.426  242.400   37.387  191.700   37.357   45.100   3.5389   40.014   4.0075 5.086334 5.346442 
1 1 1   14    6   19 o   22.010   1.8518   57.656   9.5349   56.700   13.528   58.600   13.441   21.726   2.6947   22.102   2.6269 -0.3754082 3.763246 
1 1 1   14    6   20 o   41.502   2.5852  204.585   25.210  221.300   35.667  187.900   35.636   43.062   3.5389   39.612   3.8588 3.450356 5.235853 
1 1 1   14    6   21 o  195.492   11.176  4738.15  513.752  5175.00  725.731  4299.30  727.381  200.054   15.483  180.359   17.291 19.69536 23.21009 
1 1 1   14    6   22 o   41.375   2.6316  203.535   25.577  223.000   36.139  184.000   36.204   43.194   3.5752   39.146   3.9716 4.048454 5.343787 
1 1 1   14    6   23 o   67.324   3.8142  540.788   60.387  576.200   85.414  505.400   85.385   69.180   5.2683   64.669   5.6481 4.510620 7.723675 
1 1 1   14    6   24 o   21.074   1.6860   52.859   8.3197   64.800   11.837   41.200   11.696   23.294   2.1772   18.436   2.7726 4.857603 3.525217 
1 1 1   14    6   25 o   95.818   5.2327  1107.55  117.947  1223.20  166.878  992.100  166.727   99.824   7.1263   89.415   7.9803 10.40825 10.69906 
1 1 1   14    6   26 o   41.983   2.5387  209.908   25.050  234.300   35.493  185.700   35.359   44.216   3.4262   39.247   3.8654 4.968403 5.165282 
1 1 1   14    6   27 o   47.201   2.8122  265.849   31.202  289.400   44.175  242.400   44.079   49.038   3.8458   44.763   4.2199 4.274494 5.709420 
1 1 1   14    6   28 o   25.033   1.8688   74.655   10.967   82.000   15.558   67.400   15.462   26.146   2.5524   23.633   2.8267 2.512579 3.808535 
1 1 1   14    6   29 o   36.556   3.4462  161.200   29.398  161.200   29.398   0.0000   0.0000   36.556   3.4462  ?   ?  0.000000 3.446247 
1 1 1   14    6   30 o   57.141   4.8432  399.000   64.735  399.000   64.735   0.0000   0.0000   57.141   4.8432  ?   ?  0.000000 4.843246 
1 1 1   14    6   31 o   81.485   6.7837  836.300  129.343  836.300  129.343   0.0000   0.0000   81.485   6.7837  ?   ?  0.000000 6.783720 
1 1 1   14    6   32 o   33.444   3.2767  135.400   25.545  135.400   25.545   0.0000   0.0000   33.444   3.2767  ?   ?  0.000000 3.276677 
1 1 1   14    6   33 o   40.209   3.7011  196.800   34.746  196.800   34.746   0.0000   0.0000   40.209   3.7011  ?   ?  0.000000 3.701066 
1 1 1   14    6   34 o   43.820   3.9628  235.600   40.561  235.600   40.561   0.0000   0.0000   43.820   3.9628  ?   ?  0.000000 3.962751 
1 1 1   14    6   35 o   46.162   4.1521  263.800   44.775  263.800   44.775   0.0000   0.0000   46.162   4.1521  ?   ?  0.000000 4.152061 
1 1 1   14    6   36 o   10.211   2.3909   13.000   5.6631   13.000   5.6631   0.0000   0.0000   10.211   2.3909  ?   ?  0.000000 2.390874 
1 1 1   14    6   37 o   22.417   2.7549   61.600   14.276   61.600   14.276   0.0000   0.0000   22.417   2.7549  ?   ?  0.000000 2.754937 
1 1 1   14    6   38 o   67.853   6.1390  619.200   97.297  619.200   97.297   0.0000   0.0000   67.853   6.1390  ?   ?  0.000000 6.138958 
1 1 1   14    6   39 o   31.504   3.2220  122.900   23.632  122.900   23.632   0.0000   0.0000   31.504   3.2220  ?   ?  0.000000 3.221979 
1 1 1   14    6   40 o   9.0306   2.3987   10.200   5.2016   10.200   5.2016   0.0000   0.0000   9.0306   2.3987  ?   ?  0.000000 2.398696 
1 1 1   14    6   41 o   42.753   4.0207  232.400   40.114  232.400   40.114   0.0000   0.0000   42.753   4.0207  ?   ?  0.000000 4.020696 
1 1 1   14    6   42 o   15.924   2.5680   31.600   9.3277   31.600   9.3277   0.0000   0.0000   15.924   2.5680  ?   ?  0.000000 2.567961 
1 1 1   14    6   43 o   4.9327   1.8738   2.1000   3.0122   2.1000   3.0122   0.0000   0.0000   4.9327   1.8738  ?   ?  0.000000 1.873818 
1 1 1   14    6   44 o   7.9930   2.2704   8.0000   4.4861   8.0000   4.4861   0.0000   0.0000   7.9930   2.2704  ?   ?  0.000000 2.270383 
1 1 1   14    6   45 f   4.6152   1.8043   1.6000   2.8501   1.6000   2.8501   0.0000   0.0000   4.6152   1.8043  ?   ?  0.000000 1.804260 
1 1 1   14    6   46 o  ?   ?   -7.4000   0.7610  -7.4000   0.7610   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   14    6   47 o   7.7758   2.3157   7.6000   4.5692   7.6000   4.5692   0.0000   0.0000   7.7758   2.3157  ?   ?  0.000000 2.315701 
1 1 1   14    6   48 o   15.050   2.5692   29.100   8.8030   29.100   8.8030   0.0000   0.0000   15.050   2.5692  ?   ?  0.000000 2.569222 
1 1 1   14    6   49 o   16.853   2.9280   37.700   11.229   37.700   11.229   0.0000   0.0000   16.853   2.9280  ?   ?  0.000000 2.928034 
1 1 1   14    6   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    6   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7    0 o  159.589   12.443  3097.10  462.357  3097.10  462.357  3097.10  462.357  159.589   12.443  159.589   12.443 0.000000 0.000000 
1 1 1   14    7    1 o  200.350   10.732  4838.22  505.895  4600.30  715.328  5076.30  715.558  193.047   15.831  203.280   15.013 -10.23257 21.81808 
1 1 1   14    7    2 o  114.977   6.1273  1574.47  165.756  1666.10  234.582  1483.10  234.247  117.826   8.4881  111.014   9.0137 6.811958 12.38120 
1 1 1   14    7    3 o   77.318   4.2604  710.001   77.485  742.900  109.662  677.200  109.499   78.882   5.9307   75.250   6.2180 3.632469 8.592850 
1 1 1   14    7    4 o  159.035   8.2666  3026.97  309.374  3377.30  437.855  2677.70  437.188  167.108   11.160  148.212   12.612 18.89592 16.84055 
1 1 1   14    7    5 o  142.097   7.2254  2410.26  241.643  2812.50  342.051  2009.50  341.420  152.935   9.5187  128.650   11.355 24.28584 14.81719 
1 1 1   14    7    6 o  134.585   6.1228  2151.79  194.585  2763.10  275.686  1544.90  274.688  152.048   7.7036  112.930   10.418 39.11793 12.95698 
1 1 1   14    7    7 o   53.106   3.0438  334.590   38.011  364.900   53.809  304.400   53.702   55.360   4.1463   50.485   4.5537 4.874500 6.158569 
1 1 1   14    7    8 o   67.322   3.7268  538.008   59.015  613.800   83.510  462.400   83.409   71.784   4.9570   62.146   5.7489 9.637379 7.590898 
1 1 1   14    7    9 o  289.934   15.107 10339.86  1030.74 11948.80  1458.52  8734.60  1456.85  306.945   20.236  258.522   24.144 48.42355 31.50313 
1 1 1   14    7   10 o  330.389   17.741 13631.05  1379.05 15287.90  1951.22 11977.40  1949.33  341.940   24.324  297.844   28.047 44.09625 37.12508 
1 1 1   14    7   11 o  245.891   13.147  7377.46  760.622  7964.60  1076.08  6791.20  1075.28  251.842   18.218  231.143   19.894 20.69899 26.97556 
1 1 1   14    7   12 o  250.589   13.176  7670.67  776.940  8596.20  1099.37  6747.20  1098.15  261.692   17.898  229.636   20.466 32.05640 27.18825 
1 1 1   14    7   13 o  193.098   9.9110  4496.47  450.394  5201.50  637.376  3793.30  636.531  206.113   13.164  174.611   15.602 31.50214 20.41397 
1 1 1   14    7   14 o  250.636   13.253  7699.37  781.582  8619.90  1105.89  6780.70  1104.76  261.235   18.038  229.292   20.625 31.94333 27.39979 
1 1 1   14    7   15 o  194.838   10.523  4598.88  482.364  4665.50  682.261  4532.30  682.070  193.732   15.031  190.781   15.268 2.950439 21.42569 
1 1 1   14    7   16 o  163.463   8.7880  3217.95  337.969  3338.40  478.068  3097.60  477.853  164.945   12.364  158.604   12.870 6.340744 17.84678 
1 1 1   14    7   17 o  134.580   6.7286  2162.12  213.830  2560.60  302.717  1765.30  302.086  145.626   8.8450  120.146   10.762 25.48038 13.93018 
1 1 1   14    7   18 o  104.507   5.6619  1304.26  139.202  1364.90  196.930  1243.70  196.792  106.358   7.8975  101.387   8.2924 4.970566 11.45142 
1 1 1   14    7   19 o   68.659   3.9385  560.984   63.587  577.500   89.698  544.300   90.154   69.408   5.5184   67.331   5.7247 2.076714 7.951378 
1 1 1   14    7   20 o  174.136   9.5059  3701.19  389.402  4008.80  550.705  3393.60  550.689  178.639   13.148  163.297   14.430 15.34186 19.52115 
1 1 1   14    7   21 o  120.923   6.7567  1762.73  192.160  1885.70  271.392  1639.10  272.121  123.943   9.3415  115.133   10.112 8.810196 13.76619 
1 1 1   14    7   22 o   43.721   2.7509  227.360   28.256  273.000   39.933  181.600   39.986   47.817   3.5622   38.797   4.4448 9.019623 5.696088 
1 1 1   14    7   23 o   58.239   3.4576  404.405   47.337  471.000   66.892  337.600   66.997   62.655   4.5523   52.788   5.4534 9.866695 7.103721 
1 1 1   14    7   24 o   74.108   4.1151  657.181   71.729  765.300  101.472  549.200  101.407   79.611   5.4301   67.046   6.4863 12.56506 8.459192 
1 1 1   14    7   25 f   74.146   4.1838  659.250   72.954  663.300  103.170  655.200  103.174   73.792   5.9720   73.323   6.0118 0.4692078 8.473877 
1 1 1   14    7   26 o   79.852   4.4534  767.214   83.639  820.200  118.324  714.300  118.243   81.884   6.1647   76.172   6.6402 5.711815 9.060694 
1 1 1   14    7   27 o   36.985   2.3566  162.998   20.474  179.800   29.000  146.300   28.910   38.709   3.2014   34.818   3.5666 3.891064 4.792643 
1 1 1   14    7   28 o   19.351   1.6352   44.649   7.4020   54.500   10.523   35.000   10.414   21.332   2.1169   16.950   2.6918 4.381939 3.424488 
1 1 1   14    7   29 o   36.815   2.4070  161.750   20.810  161.900   29.460  161.600   29.400   36.629   3.4465   36.596   3.4426 0.3336334E-01 4.871346 
1 1 1   14    7   30 o   52.247   3.0575  327.099   37.557  346.200   53.184  308.100   53.043   53.397   4.2532   50.265   4.5171 3.132053 6.204361 
1 1 1   14    7   31 o   45.452   4.0370  251.100   42.878  251.100   42.878   0.0000   0.0000   45.452   4.0370  ?   ?  0.000000 4.037041 
1 1 1   14    7   32 o   95.744   8.1545  1198.40  182.605  1198.40  182.605   0.0000   0.0000   95.744   8.1545  ?   ?  0.000000 8.154515 
1 1 1   14    7   33 o   52.545   4.5662  340.100   56.093  340.100   56.093   0.0000   0.0000   52.545   4.5662  ?   ?  0.000000 4.566185 
1 1 1   14    7   34 o   57.756   4.9937  416.900   67.435  416.900   67.435   0.0000   0.0000   57.756   4.9937  ?   ?  0.000000 4.993656 
1 1 1   14    7   35 o   51.690   4.5632  333.800   55.126  333.800   55.126   0.0000   0.0000   51.690   4.5632  ?   ?  0.000000 4.563173 
1 1 1   14    7   36 o   19.556   2.6072   46.800   11.740   46.800   11.740   0.0000   0.0000   19.556   2.6072  ?   ?  0.000000 2.607191 
1 1 1   14    7   37 o   37.719   3.6199  176.500   31.845  176.500   31.845   0.0000   0.0000   37.719   3.6199  ?   ?  0.000000 3.619869 
1 1 1   14    7   38 o   38.611   3.7012  186.100   33.332  186.100   33.332   0.0000   0.0000   38.611   3.7012  ?   ?  0.000000 3.701236 
1 1 1   14    7   39 o   38.303   3.6824  183.600   32.896  183.600   32.896   0.0000   0.0000   38.303   3.6824  ?   ?  0.000000 3.682410 
1 1 1   14    7   40 o   15.926   2.5147   31.400   9.1433   31.400   9.1433   0.0000   0.0000   15.926   2.5147  ?   ?  0.000000 2.514655 
1 1 1   14    7   41 o   13.284   2.4475   22.000   7.3945   22.000   7.3945   0.0000   0.0000   13.284   2.4475  ?   ?  0.000000 2.447496 
1 1 1   14    7   42 o   18.435   2.5970   42.200   10.992   42.200   10.992   0.0000   0.0000   18.435   2.5970  ?   ?  0.000000 2.597017 
1 1 1   14    7   43 f   27.648   3.0675   96.100   19.689   96.100   19.689   0.0000   0.0000   27.648   3.0675  ?   ?  0.000000 3.067463 
1 1 1   14    7   44 o   13.294   2.5562   22.400   7.7329   22.400   7.7329   0.0000   0.0000   13.294   2.5562  ?   ?  0.000000 2.556199 
1 1 1   14    7   45 o   45.737   4.5181  286.500   48.158  286.500   48.158   0.0000   0.0000   45.737   4.5181  ?   ?  0.000000 4.518059 
1 1 1   14    7   46 o   9.2240   2.3777   10.900   5.2119   10.900   5.2119   0.0000   0.0000   9.2240   2.3777  ?   ?  0.000000 2.377728 
1 1 1   14    7   47 o   19.271   2.7042   47.400   11.967   47.400   11.967   0.0000   0.0000   19.271   2.7042  ?   ?  0.000000 2.704210 
1 1 1   14    7   48 o   31.616   3.4619  133.000   25.423  133.000   25.423   0.0000   0.0000   31.616   3.4619  ?   ?  0.000000 3.461874 
1 1 1   14    7   49 f   11.565   2.6936   17.800   7.2191   17.800   7.2191   0.0000   0.0000   11.565   2.6936  ?   ?  0.000000 2.693556 
1 1 1   14    7   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    7   54 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    8    0 o  136.571   10.678  2261.90  339.504  2261.90  339.504  2261.90  339.504  136.571   10.678  136.571   10.678 0.000000 0.000000 
1 1 1   14    8    1 o   79.473   4.4390  750.384   82.971  825.700  117.312  675.000  117.365   83.172   6.0137   75.050   6.6928 8.122261 8.997672 
1 1 1   14    8    2 f  118.465   6.4017  1672.70  178.415  1640.70  252.307  1704.70  252.327  116.733   9.2284  119.046   9.0437 -2.313026 12.92099 
1 1 1   14    8    3 o  124.151   6.7025  1838.30  195.766  1826.80  276.909  1849.80  276.802  123.115   9.6008  123.909   9.5334 -0.7938766 13.53006 
1 1 1   14    8    4 o  113.254   6.0478  1527.72  161.153  1767.30  227.968  1288.40  227.841  121.458   7.9932  103.300   9.4450 18.15866 12.37333 
1 1 1   14    8    5 o  194.939   9.4240  4552.63  433.808  5653.20  614.132  3456.60  612.864  215.907   12.094  167.077   15.719 48.82965 19.83322 
1 1 1   14    8    6 o   73.597   3.9940  643.099   69.151  717.100   97.895  569.400   97.694   77.563   5.3782   68.973   6.0597 8.589386 8.102118 
1 1 1   14    8    7 o   46.516   2.7808  256.719   30.405  294.800   43.017  218.700   42.982   49.776   3.6860   42.756   4.3163 7.020058 5.676006 
1 1 1   14    8    8 o   56.588   3.2547  380.012   43.307  431.700   61.267  328.400   61.223   60.216   4.3379   52.390   5.0099 7.825714 6.626909 
1 1 1   14    8    9 o   82.858   4.3917  815.584   85.621  943.200  121.189  688.400  120.984   88.932   5.8027   75.749   6.8375 13.18332 8.967849 
1 1 1   14    8   10 o  181.828   9.7006  3979.16  415.002  4182.90  587.107  3775.70  586.696  184.797   13.549  175.161   14.309 9.636200 19.70604 
1 1 1   14    8   11 o   75.592   4.1871  678.875   74.448  718.800  105.318  639.000  105.252   77.577   5.7910   73.061   6.1582 4.516022 8.453323 
1 1 1   14    8   12 o   31.179   1.9731  115.325   14.452  145.600   20.533   85.600   20.345   35.007   2.5003   26.697   3.2973 8.309923 4.138088 
1 1 1   14    8   13 o   69.447   3.7854  572.726   61.843  642.300   87.537  503.400   87.381   73.397   5.0820   64.833   5.7679 8.564453 7.687358 
1 1 1   14    8   14 o  142.365   7.5993  2428.23  254.546  2626.50  360.090  2230.20  359.876  147.156   10.430  135.197   11.378 11.95963 15.43558 
1 1 1   14    8   15 o  141.599   7.3265  2400.80  244.133  2732.10  345.516  2070.50  344.998  150.277   9.7902  130.185   11.336 20.09161 14.97823 
1 1 1   14    8   16 o   40.573   2.4045  195.299   22.934  235.900   32.494  155.000   32.374   44.541   3.1090   35.963   3.8733 8.577354 4.966701 
1 1 1   14    8   17 o   59.721   3.4250  423.730   48.098  441.100   68.061  406.400   67.981   60.762   4.7822   58.276   4.9881 2.485561 6.910209 
1 1 1   14    8   18 o   46.982   2.8281  262.133   31.229  270.000   44.213  254.300   44.116   47.552   3.9740   46.122   4.0932 1.429428 5.704986 
1 1 1   14    8   19 o  134.248   7.2500  2169.20  228.980  2275.20  323.911  2063.30  323.741  136.282   10.138  129.488   10.683 6.794189 14.72771 
1 1 1   14    8   20 o  133.804   7.5074  2163.56  236.246  2372.90  333.734  1953.30  334.471  138.796   10.255  125.227   11.437 13.56938 15.36162 
1 1 1   14    8   21 o   63.420   3.7216  479.226   55.490  530.000   78.378  428.200   78.572   66.468   5.0309   59.572   5.6532 6.895706 7.567622 
1 1 1   14    8   22 o   82.920   4.6631  822.873   90.936  843.900  128.379  801.700  128.827   83.433   6.5694   81.239   6.7774 2.193184 9.438700 
1 1 1   14    8   23 o  101.158   5.6594  1233.65  134.644  1281.10  190.119  1185.90  190.713  102.085   7.9495   98.014   8.3186 4.071243 11.50625 
1 1 1   14    8   24 o   68.214   3.8958  556.567   62.492  602.700   88.361  510.400   88.394   70.605   5.3393   64.788   5.8406 5.816521 7.913331 
1 1 1   14    8   25 o  115.427   6.1878  1621.92  168.043  1900.60  237.789  1343.90  237.509  123.606   8.1933  102.635   9.9238 20.97163 12.86902 
1 1 1   14    8   26 o   88.851   4.9553  954.242  103.553  1023.10  146.455  885.400  146.437   91.061   6.8614   84.367   7.4262 6.693703 10.11073 
1 1 1   14    8   27 o   45.523   2.7596  247.366   29.524  264.100   41.795  230.700   41.711   46.818   3.8137   43.668   4.0928 3.149433 5.594224 
1 1 1   14    8   28 o   45.413   2.6584  246.129   28.383  293.100   40.192  199.400   40.088   49.395   3.4678   40.501   4.2553 8.894230 5.489349 
1 1 1   14    8   29 o   31.824   2.1155  120.716   15.807  137.100   22.412  104.500   22.297   33.804   2.8339   29.395   3.2675 4.409107 4.325217 
1 1 1   14    8   30 o   67.070   3.7928  542.432   59.822  603.800   84.648  481.200   84.555   70.173   5.1442   62.281   5.8168 7.892872 7.765160 
1 1 1   14    8   31 o   19.748   1.7032   46.570   7.8649   51.400   11.218   41.900   11.030   20.657   2.3411   18.579   2.5841 2.077822 3.486874 
1 1 1   14    8   32 o   17.677   1.7803   37.448   7.3301   34.400   10.451   40.400   10.284   16.762   2.7347   18.254   2.4474 -1.492414 3.669955 
1 1 1   14    8   33 o   21.013   2.6487   53.600   12.851   53.600   12.851   0.0000   0.0000   21.013   2.6487  ?   ?  0.000000 2.648715 
1 1 1   14    8   34 o   33.748   3.3163  138.900   26.087  138.900   26.087   0.0000   0.0000   33.748   3.3163  ?   ?  0.000000 3.316300 
1 1 1   14    8   35 o   52.482   4.6349  345.400   56.849  345.400   56.849   0.0000   0.0000   52.482   4.6349  ?   ?  0.000000 4.634857 
1 1 1   14    8   36 o   32.358   3.2779  128.700   24.700  128.700   24.700   0.0000   0.0000   32.358   3.2779  ?   ?  0.000000 3.277866 
1 1 1   14    8   37 o   18.752   2.6012   43.200   11.208   43.200   11.208   0.0000   0.0000   18.752   2.6012  ?   ?  0.000000 2.601169 
1 1 1   14    8   38 o   18.590   2.6332   42.600   11.236   42.600   11.236   0.0000   0.0000   18.590   2.6332  ?   ?  0.000000 2.633204 
1 1 1   14    8   39 o   16.764   2.5352   34.700   9.7222   34.700   9.7222   0.0000   0.0000   16.764   2.5352  ?   ?  0.000000 2.535217 
1 1 1   14    8   40 o   32.029   3.2624  127.500   24.330  127.500   24.330   0.0000   0.0000   32.029   3.2624  ?   ?  0.000000 3.262410 
1 1 1   14    8   41 o   24.653   2.8533   75.200   16.304   75.200   16.304   0.0000   0.0000   24.653   2.8533  ?   ?  0.000000 2.853325 
1 1 1   14    8   42 o   34.559   3.4742  151.000   27.968  151.000   27.968   0.0000   0.0000   34.559   3.4742  ?   ?  0.000000 3.474206 
1 1 1   14    8   43 o   12.668   2.5342   20.300   7.3163   20.300   7.3163   0.0000   0.0000   12.668   2.5342  ?   ?  0.000000 2.534240 
1 1 1   14    8   44 o   35.627   3.6010  164.000   29.879  164.000   29.879   0.0000   0.0000   35.627   3.6010  ?   ?  0.000000 3.601008 
1 1 1   14    8   45 o   14.290   2.5811   26.000   8.3888   26.000   8.3888   0.0000   0.0000   14.290   2.5811  ?   ?  0.000000 2.581091 
1 1 1   14    8   46 o   16.332   2.5833   33.900   9.6309   33.900   9.6309   0.0000   0.0000   16.332   2.5833  ?   ?  0.000000 2.583281 
1 1 1   14    8   47 o   30.335   3.3150  120.400   23.360  120.400   23.360   0.0000   0.0000   30.335   3.3150  ?   ?  0.000000 3.314994 
1 1 1   14    8   48 o   5.6556   2.1177   3.1000   3.8162   3.1000   3.8162   0.0000   0.0000   5.6556   2.1177  ?   ?  0.000000 2.117703 
1 1 1   14    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    8   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    8   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    8   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    8   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9    0 f  142.505   11.120  2464.80  368.955  2464.80  368.955  2464.80  368.955  142.505   11.120  142.505   11.120 0.000000 0.000000 
1 1 1   14    9    1 o  293.201   16.053 10605.54  1107.22 10730.20  1565.91 10480.90  1565.79  288.341   23.195  284.631   23.507 3.710144 33.02357 
1 1 1   14    9    2 o  189.548   10.129  4325.14  451.711  4495.00  639.020  4155.50  638.612  191.480   14.235  183.774   14.843 7.706131 20.56519 
1 1 1   14    9    3 o   48.507   2.9116  279.195   33.196  281.200   47.005  277.200   46.888   48.559   4.1388   48.208   4.1597 0.3512192 5.867928 
1 1 1   14    9    4 o   14.069   1.6413   23.700   5.3505   24.800   7.5668   22.600   7.5668   14.304   2.3196   13.623   2.4420 0.6815863 3.368090 
1 1 1   14    9    5 o  224.844   12.141  6132.72  642.202  6736.30  908.234  5529.20  908.188  233.022   16.615  209.780   18.524 23.24155 24.88343 
1 1 1   14    9    6 o  214.702   10.167  5538.07  515.468  6702.80  730.394  4382.30  727.578  234.458   13.247  187.695   16.587 46.76367 21.22717 
1 1 1   14    9    7 o  151.836   7.4993  2748.27  268.880  3287.10  380.673  2211.80  379.836  165.222   9.8009  134.696   12.070 30.52583 15.54817 
1 1 1   14    9    8 o  168.670   8.8298  3413.46  350.462  3736.80  495.931  3090.90  495.325  175.319   12.053  158.857   13.328 16.46214 17.96917 
1 1 1   14    9    9 o   45.405   2.7867  244.662   29.734  257.300   42.031  232.000   42.071   46.462   3.8661   44.076   4.0888 2.386242 5.627133 
1 1 1   14    9   10 o   93.785   4.5466  1042.37  100.690  1301.40  142.627  785.000  142.168  104.511   5.8021   80.784   7.5398 23.72715 9.513886 
1 1 1   14    9   11 o  134.278   7.2000  2155.42  227.463  2514.90  321.717  1796.10  321.647  144.442   9.4850  121.394   11.352 23.04800 14.79337 
1 1 1   14    9   12 o   88.879   4.7653  939.456   99.648  1119.60  140.999  759.700  140.848   96.823   6.1996   79.418   7.6035 17.40556 9.810568 
1 1 1   14    9   13 o  143.429   7.6702  2464.88  258.840  2743.60  366.137  2186.40  365.973  150.458   10.369  133.750   11.705 16.70726 15.63740 
1 1 1   14    9   14 o  230.952   12.642  6526.95  686.812  6691.30  970.868  6362.30  971.730  229.750   18.041  223.546   18.577 6.204117 25.89505 
1 1 1   14    9   15 o   37.769   2.4459  169.355   21.697  187.100   30.679  151.600   30.688   39.622   3.3093   35.587   3.7063 4.034981 4.968705 
1 1 1   14    9   16 o  163.889   8.8399  3240.75  340.840  3557.10  482.057  2924.50  481.983  170.180   12.074  153.522   13.430 16.65804 18.05993 
1 1 1   14    9   17 o   31.329   2.1603  116.578   15.884  123.700   22.498  109.500   22.428   32.192   2.9939   30.246   3.1883 1.945419 4.373626 
1 1 1   14    9   18 o  122.728   6.7004  1807.30  193.446  1873.70  273.472  1740.80  273.677  124.021   9.4081  119.363   9.7961 4.657814 13.58220 
1 1 1   14    9   19 o  203.594   11.168  5113.86  534.883  5676.30  756.496  4551.60  756.381  210.632   15.314  186.477   17.377 24.15518 23.16260 
1 1 1   14    9   20 o   49.390   2.8012  289.806   32.535  260.800   45.744  319.500   46.284   46.655   4.1971   51.736   3.8155 -5.080635 5.672176 
1 1 1   14    9   21 o   6.2812   1.9762   4.6000   3.2695   4.6000   3.2695   0.0000   0.0000   6.2812   1.9762  ?   ?  0.000000 1.976233 
1 1 1   14    9   22 o   55.199   4.6394  366.200   59.911  366.200   59.911   0.0000   0.0000   55.199   4.6394  ?   ?  0.000000 4.639379 
1 1 1   14    9   23 o   42.634   2.7318  216.441   27.358  247.500   38.634  185.200   38.746   45.465   3.6288   39.170   4.2575 6.294254 5.594159 
1 1 1   14    9   24 o  112.847   6.4306  1550.93  170.647  1693.30  241.014  1407.80  241.649  116.385   8.8356  105.380   9.8242 11.00426 13.21304 
1 1 1   14    9   25 o   15.359   1.6814   28.246   5.9988   31.500   8.4886   25.000   8.4785   16.142   2.2913   14.294   2.6080 1.848340 3.471547 
1 1 1   14    9   26 o   84.508   4.9050  863.968   97.460  991.700  137.685  735.700  137.973   89.741   6.5423   76.596   7.7342 13.14513 10.13012 
1 1 1   14    9   27 o   15.772   1.6378   29.764   6.0108   33.000   8.5489   26.600   8.4529   16.527   2.2489   14.761   2.5152 1.765764 3.374012 
1 1 1   14    9   28 o   67.719   3.7918  551.489   60.391  616.900   85.479  486.300   85.333   71.113   5.1247   62.800   5.8205 8.313183 7.755031 
1 1 1   14    9   29 o   44.203   2.7326  233.597   28.383  248.200   40.144  219.000   40.135   45.317   3.7861   42.476   4.0506 2.840645 5.544524 
1 1 1   14    9   30 o   42.340   2.6117  214.315   25.984  234.400   36.780  194.300   36.715   44.059   3.5658   39.986   3.9397 4.073002 5.313740 
1 1 1   14    9   31 o   21.256   1.8288   53.994   9.0899   50.800   12.843   57.200   12.867   20.459   2.7264   21.764   2.5521 -1.305040 3.734457 
1 1 1   14    9   32 o   13.439   1.6137   21.716   5.0184   22.900   7.2049   20.600   6.9940   13.685   2.3120   12.952   2.3744 0.7328072 3.314048 
1 1 1   14    9   33 o   24.608   1.9213   72.434   11.076   74.000   15.747   70.900   15.581   24.710   2.7451   24.173   2.7802 0.5371933 3.907046 
1 1 1   14    9   34 o   71.811   6.2029  665.800  104.150  665.800  104.150   0.0000   0.0000   71.811   6.2029  ?   ?  0.000000 6.202868 
1 1 1   14    9   35 o   34.174   3.3506  143.300   26.691  143.300   26.691   0.0000   0.0000   34.174   3.3506  ?   ?  0.000000 3.350636 
1 1 1   14    9   36 o   15.888   2.5419   31.100   9.2150   31.100   9.2150   0.0000   0.0000   15.888   2.5419  ?   ?  0.000000 2.541856 
1 1 1   14    9   37 o   29.730   3.1280  108.900   21.630  108.900   21.630   0.0000   0.0000   29.730   3.1280  ?   ?  0.000000 3.128046 
1 1 1   14    9   38 o   16.976   2.5909   35.600   10.057   35.600   10.057   0.0000   0.0000   16.976   2.5909  ?   ?  0.000000 2.590879 
1 1 1   14    9   39 o   26.586   2.9405   87.200   18.151   87.200   18.151   0.0000   0.0000   26.586   2.9405  ?   ?  0.000000 2.940461 
1 1 1   14    9   40 f   27.136   2.9802   91.100   18.782   91.100   18.782   0.0000   0.0000   27.136   2.9802  ?   ?  0.000000 2.980237 
1 1 1   14    9   41 o   33.645   3.3856  141.800   26.533  141.800   26.533   0.0000   0.0000   33.645   3.3856  ?   ?  0.000000 3.385566 
1 1 1   14    9   42 o   29.101   3.1116  106.100   21.050  106.100   21.050   0.0000   0.0000   29.101   3.1116  ?   ?  0.000000 3.111566 
1 1 1   14    9   43 o   22.415   2.7797   62.900   14.397   62.900   14.397   0.0000   0.0000   22.415   2.7797  ?   ?  0.000000 2.779670 
1 1 1   14    9   44 o   13.649   2.5160   23.600   7.8104   23.600   7.8104   0.0000   0.0000   13.649   2.5160  ?   ?  0.000000 2.516007 
1 1 1   14    9   45 o   8.0994   2.2513   8.3000   4.4610   8.3000   4.4610   0.0000   0.0000   8.0994   2.2513  ?   ?  0.000000 2.251294 
1 1 1   14    9   46 f   18.950   2.6614   45.600   11.581   45.600   11.581   0.0000   0.0000   18.950   2.6614  ?   ?  0.000000 2.661405 
1 1 1   14    9   47 o   4.3738   1.7790   1.0000   2.8823   1.0000   2.8823   0.0000   0.0000   4.3738   1.7790  ?   ?  0.000000 1.779022 
1 1 1   14    9   48 o   14.095   2.7870   26.100   8.9472   26.100   8.9472   0.0000   0.0000   14.095   2.7870  ?   ?  0.000000 2.786951 
1 1 1   14    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14    9   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10    0 o  107.660   8.4755  1401.70  212.397  1401.70  212.397  1401.70  212.397  107.660   8.4755  107.660   8.4755 0.000000 0.000000 
1 1 1   14   10    1 o  133.809   6.8124  2135.67  214.540  2510.80  303.659  1761.80  303.151  144.605   8.9366  120.549   10.763 24.05671 13.98936 
1 1 1   14   10    2 o  156.099   8.3862  2918.80  307.990  2784.30  435.559  3053.30  435.567  151.204   12.306  158.604   11.713 -7.399979 16.98888 
1 1 1   14   10    3 o   34.028   2.2757  137.444   18.181  140.600   25.736  134.300   25.688   34.329   3.2121   33.536   3.2860 0.7930794 4.595097 
1 1 1   14   10    4 o   49.470   2.6446  290.111   30.781  376.500   43.629  204.500   43.433   56.322   3.2948   41.301   4.5276 15.02065 5.599548 
1 1 1   14   10    5 o   20.090   1.7996   48.063   8.4470   44.100   11.966   52.000   11.926   19.123   2.7272   20.829   2.4731 -1.706795 3.681503 
1 1 1   14   10    6 o   32.857   2.4129  128.277   18.590  158.600   26.193   97.500   26.389   36.493   3.0681   28.414   4.0474 8.079195 5.078860 
1 1 1   14   10    7 o   61.128   3.4607  443.501   49.748  531.700   70.374  355.400   70.335   66.841   4.4847   54.441   5.5487 12.39991 7.134488 
1 1 1   14   10    8 o   93.653   4.4503  1039.18   98.419  1366.40  139.447  714.400  138.926  107.149   5.5302   77.005   7.7452 30.14393 9.516880 
1 1 1   14   10    9 o  233.782   12.496  6652.61  687.334  7574.60  972.244  5731.40  971.830  246.577   16.798  212.342   19.603 34.23453 25.81563 
1 1 1   14   10   10 o   95.362   5.0747  1081.86  113.863  1248.40  161.117  915.700  160.935  102.185   6.7146   87.216   7.9001 14.96856 10.36806 
1 1 1   14   10   11 o  140.779   7.6166  2372.90  252.258  2625.80  356.714  2119.90  356.778  147.280   10.322  131.830   11.578 15.45064 15.51138 
1 1 1   14   10   12 o  137.128   7.4336  2251.41  239.805  2418.60  339.077  2084.10  339.194  141.285   10.233  130.805   11.086 10.48039 15.08658 
1 1 1   14   10   13 o  114.862   5.9564  1573.34  161.002  1894.30  227.854  1253.30  227.529  125.660   7.7162  101.633   9.5942 24.02640 12.31214 
1 1 1   14   10   14 o  119.779   6.4935  1714.51  182.976  1720.00  258.648  1709.00  258.886  119.240   9.2586  118.843   9.2993 0.3962784 13.12241 
1 1 1   14   10   15 o   98.193   5.3519  1149.52  123.625  1294.70  174.851  1004.40  174.813  103.842   7.1747   91.151   8.2099 12.69146 10.90314 
1 1 1   14   10   16 o  114.565   6.2751  1569.88  169.113  1648.60  239.044  1491.00  239.280  116.718   8.7365  110.811   9.2284 5.907265 12.70791 
1 1 1   14   10   17 o   28.458   2.0646   96.239   13.780   99.800   19.517   92.700   19.459   28.895   2.8996   27.823   3.0097 1.071947 4.179212 
1 1 1   14   10   18 o   83.091   4.5387  822.911   88.716  915.300  125.524  730.700  125.402   87.320   6.1265   77.790   6.8984 9.529999 9.226162 
1 1 1   14   10   19 o   15.244   1.6861   27.801   5.9678   28.300   8.4345   27.300   8.4451   15.280   2.4181   14.993   2.4715 0.2866230 3.457687 
1 1 1   14   10   20 o   86.360   4.9546  892.289  100.615  984.800  142.070  799.200  142.513   90.259   6.7138   81.007   7.5367 9.252647 10.09342 
1 1 1   14   10   21 o  109.876   6.1881  1455.84  159.901  1586.90  225.881  1324.20  226.389  113.714   8.4729  103.382   9.3756 10.33270 12.63692 
1 1 1   14   10   22 o  141.177   11.488  2537.90  379.661  2537.90  379.661   0.0000   0.0000  141.177   11.488  ?   ?  0.000000 11.48820 
1 1 1   14   10   23 o   47.860   2.9848  273.015   33.565  302.400   47.376  243.400   47.560   50.194   4.0311   44.889   4.5497 5.304642 6.078604 
1 1 1   14   10   24 o   68.159   3.9588  556.531   63.441  577.700   89.446  535.100   89.996   68.981   5.5379   66.282   5.8086 2.699341 8.025495 
1 1 1   14   10   25 o   57.174   3.4186  390.999   45.943  415.800   64.844  366.000   65.103   58.630   4.7237   54.879   5.0815 3.751205 6.937948 
1 1 1   14   10   26 o   80.591   4.6310  784.703   87.760  939.800  124.050  629.300  124.173   87.544   6.0377   70.804   7.5431 16.74053 9.661883 
1 1 1   14   10   27 o   46.337   2.8825  256.613   31.384  266.200   44.238  246.900   44.530   46.931   4.0310   45.132   4.2276 1.798485 5.841358 
1 1 1   14   10   28 o   74.622   4.3418  673.469   76.176  760.400  107.626  586.200  107.834   78.570   5.8427   68.449   6.7598 10.12058 8.934898 
1 1 1   14   10   29 o   14.588   1.6553   25.533   5.6014   18.900   7.9115   32.200   7.9318   12.353   2.7794   16.337   2.1050 -3.984035 3.486508 
1 1 1   14   10   30 o   40.768   2.5910  198.753   24.813  218.300   35.089  179.200   35.094   42.511   3.5273   38.380   3.9276 4.130840 5.279017 
1 1 1   14   10   31 o   31.382   2.1607  117.633   15.914  107.500   22.433  127.900   22.580   29.772   3.2433   32.569   2.9686 -2.796267 4.396819 
1 1 1   14   10   32 o   75.618   4.3958  699.336   78.152  731.000  110.374  667.500  110.674   76.041   6.2009   72.374   6.5468 3.667229 9.017261 
1 1 1   14   10   33 o   8.8738   1.6045   9.6305   3.2383   10.100   4.6825   9.2000   4.4834   9.0269   2.2136   8.6213   2.1962 0.4056091 3.118226 
1 1 1   14   10   34 o   20.584   1.8152   50.802   8.7327   50.700   12.454   50.900   12.248   20.391   2.6491   20.444   2.5956 -0.5366325E-01 3.708725 
1 1 1   14   10   35 o   46.235   2.7523  258.595   29.913  286.400   42.383  231.000   42.223   48.180   3.7550   43.001   4.2124 5.178829 5.643038 
1 1 1   14   10   36 o   20.018   2.6262   49.100   12.115   49.100   12.115   0.0000   0.0000   20.018   2.6262  ?   ?  0.000000 2.626207 
1 1 1   14   10   37 o   20.323   2.6268   50.700   12.311   50.700   12.311   0.0000   0.0000   20.323   2.6268  ?   ?  0.000000 2.626846 
1 1 1   14   10   38 o   26.746   2.9752   88.200   18.472   88.200   18.472   0.0000   0.0000   26.746   2.9752  ?   ?  0.000000 2.975177 
1 1 1   14   10   39 o   43.883   4.0899  244.100   41.893  244.100   41.893   0.0000   0.0000   43.883   4.0899  ?   ?  0.000000 4.089945 
1 1 1   14   10   40 o   26.413   2.9411   86.300   18.032   86.300   18.032   0.0000   0.0000   26.413   2.9411  ?   ?  0.000000 2.941073 
1 1 1   14   10   41 o   5.1036   1.9025   2.4000   3.0733   2.4000   3.0733   0.0000   0.0000   5.1036   1.9025  ?   ?  0.000000 1.902510 
1 1 1   14   10   42 o   21.706   2.7524   58.700   13.790   58.700   13.790   0.0000   0.0000   21.706   2.7524  ?   ?  0.000000 2.752421 
1 1 1   14   10   43 o   41.681   4.0564  227.500   39.418  227.500   39.418   0.0000   0.0000   41.681   4.0564  ?   ?  0.000000 4.056364 
1 1 1   14   10   44 o   11.451   2.4421   16.700   6.4017   16.700   6.4017   0.0000   0.0000   11.451   2.4421  ?   ?  0.000000 2.442114 
1 1 1   14   10   45 o   20.326   2.7249   52.400   12.750   52.400   12.750   0.0000   0.0000   20.326   2.7249  ?   ?  0.000000 2.724946 
1 1 1   14   10   46 o   7.5727   2.2132   7.2000   4.2067   7.2000   4.2067   0.0000   0.0000   7.5727   2.2132  ?   ?  0.000000 2.213228 
1 1 1   14   10   47 o   1.8780   0.9293  -3.5000   1.5276  -3.5000   1.5276   0.0000   0.0000   1.8780   0.9293  ?   ?  0.000000 0.9292828 
1 1 1   14   10   48 o   26.321   3.1669   91.800   19.288   91.800   19.288   0.0000   0.0000   26.321   3.1669  ?   ?  0.000000 3.166950 
1 1 1   14   10   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   10   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11    0 o  157.913   12.318  3034.40  452.901  3034.40  452.901  3034.40  452.901  157.913   12.318  157.913   12.318 0.000000 0.000000 
1 1 1   14   11    1 o   84.627   4.6305  851.149   92.183  791.800  130.311  910.600  130.423   81.287   6.8528   87.293   6.3712 -6.006073 9.356964 
1 1 1   14   11    2 o  128.247   6.8854  1963.06  207.754  1871.70  293.738  2054.50  293.878  124.449   10.082  130.557   9.5998 -6.108078 13.92143 
1 1 1   14   11    3 o   84.111   4.8071  841.292   95.080  1080.10  134.381  601.900  134.545   95.167   6.0108   70.531   8.2334 24.63569 10.19401 
1 1 1   14   11    4 o   77.595   4.2193  715.156   77.019  856.600  108.977  574.000  108.867   84.785   5.4724   69.133   6.7551 15.65252 8.693589 
1 1 1   14   11    5 o  127.000   6.3877  1922.49  190.952  2399.60  270.303  1447.20  269.790  141.531   8.1219  109.173   10.599 32.35752 13.35290 
1 1 1   14   11    6 o  156.190   8.6151  2926.12  316.514  3473.40  447.427  2377.90  447.811  169.308   11.255  138.999   13.827 30.30908 17.82887 
1 1 1   14   11    7 o  211.188   10.515  5369.49  524.397  6717.70  742.219  4025.70  741.002  234.429   13.464  178.962   17.770 55.46674 22.29454 
1 1 1   14   11    8 o  111.692   5.5511  1481.16  146.406  1859.60  207.281  1104.40  206.820  124.740   7.0661   95.540   9.2846 29.19970 11.66765 
1 1 1   14   11    9 o  116.685   6.2841  1624.00  172.511  1719.20  244.035  1528.90  243.900  119.522   8.7064  112.534   9.2605 6.987610 12.71059 
1 1 1   14   11   10 o   95.058   4.9224  1074.70  110.114  1294.40  155.866  855.800  155.582  104.106   6.3710   84.271   7.9111 19.83539 10.15748 
1 1 1   14   11   11 o   66.085   3.7484  518.747   58.254  525.400   82.399  512.100   82.368   66.311   5.3068   65.451   5.3770 0.8602371 7.554708 
1 1 1   14   11   12 o   50.087   2.9897  297.800   35.199  343.800   49.779  251.800   49.779   53.731   3.9511   45.844   4.6633 7.887222 6.112076 
1 1 1   14   11   13 o  112.533   6.1408  1511.80  162.565  1577.30  229.823  1446.20  229.980  114.368   8.5723  109.371   8.9842 4.996185 12.41774 
1 1 1   14   11   14 o   81.464   4.5274  789.712   86.748  805.200  122.633  774.200  122.728   81.949   6.3877   80.318   6.5274 1.630455 9.132910 
1 1 1   14   11   15 o  165.871   8.9446  3322.79  349.049  3695.80  493.671  2949.90  493.589  173.365   12.136  153.939   13.722 19.42610 18.31881 
1 1 1   14   11   16 o  128.251   6.8895  1972.80  207.883  2243.90  294.047  1701.90  293.934  135.992   9.2111  117.789   10.684 18.20274 14.10648 
1 1 1   14   11   17 o  128.391   6.9835  1980.87  210.929  2237.30  298.289  1724.40  298.310  135.547   9.3769  118.322   10.796 17.22499 14.29938 
1 1 1   14   11   18 o  157.768   8.2640  3016.12  306.801  3528.60  434.169  2505.00  433.595  169.091   10.932  140.964   13.179 28.12740 17.12308 
1 1 1   14   11   19 o   66.049   3.8339  519.754   59.539  590.500   84.139  448.800   84.262   70.181   5.1123   60.959   5.9287 9.221687 7.828473 
1 1 1   14   11   20 o   91.296   5.1571  998.876  110.724  1048.30  156.232  949.000  156.944   92.902   7.1774   88.214   7.6088 4.688225 10.45985 
1 1 1   14   11   21 o   39.505   2.5644  185.655   23.792  209.900   33.610  161.300   33.686   41.900   3.4270   36.605   3.9602 5.294502 5.237111 
1 1 1   14   11   22 o   84.136   4.7834  849.768   94.643  884.000  133.520  815.200  134.172   85.160   6.6936   81.628   7.0294 3.532158 9.706528 
1 1 1   14   11   23 o   31.792   2.1511  120.252   16.054  133.700   22.744  106.900   22.663   33.430   2.9102   29.806   3.2739 3.624252 4.380385 
1 1 1   14   11   24 o   44.130   2.6681  232.015   27.673  219.600   38.927  244.700   39.348   42.708   3.9031   45.138   3.7249 -2.430222 5.395282 
1 1 1   14   11   25 o  141.700   8.2317  2517.46  274.250  2713.90  387.249  2319.80  388.448  143.211   11.549  130.874   12.731 12.33696 17.18895 
1 1 1   14   11   26 o   54.085   3.2392  350.100   41.178  363.900   58.129  336.200   58.341   54.796   4.5331   52.588   4.7494 2.207493 6.565500 
1 1 1   14   11   27 o   20.406   1.8266   49.726   8.7084   55.100   12.286   44.300   12.345   21.393   2.4780   19.089   2.8239 2.303881 3.756987 
1 1 1   14   11   28 o  ?   ?   -3.0412   0.3798  -5.1000   0.4595   1.4000   0.6748  ?   ?    3.3765   0.8476 0.000000 0.8476428 
1 1 1   14   11   29 o   63.414   3.7699  484.912   56.198  548.700   79.375  420.800   79.577   66.926   5.0600   58.191   5.8715 8.735317 7.751009 
1 1 1   14   11   30 o   29.464   2.1692  103.716   14.986  115.200   21.134   92.100   21.255   30.919   2.9295   27.526   3.3384 3.393660 4.441494 
1 1 1   14   11   31 o   25.153   1.9577   75.589   11.536   72.100   16.288   79.100   16.340   24.391   2.8838   25.592   2.7470 -1.200668 3.982695 
1 1 1   14   11   32 o   61.008   3.5262  450.740   50.582  432.600   71.318  469.100   71.751   58.922   5.1784   61.488   4.9846 -2.566639 7.187588 
1 1 1   14   11   33 o   10.855   1.6567   14.309   4.1119   12.500   5.8290   16.100   5.8013   10.028   2.4763   11.425   2.2303 -1.397338 3.332619 
1 1 1   14   11   34 o   37.605   2.4878  170.275   21.967  194.800   31.050  145.700   31.081   39.940   3.3224   34.278   3.9098 5.661739 5.130745 
1 1 1   14   11   35 o   34.089   2.3224  139.953   18.583  142.000   26.262  137.900   26.298   34.000   3.3132   33.478   3.3726 0.5217705 4.727709 
1 1 1   14   11   36 o   22.963   1.7709   63.250   9.5284   75.100   13.533   51.600   13.418   24.900   2.3287   20.456   2.8558 4.443949 3.684852 
1 1 1   14   11   37 o   12.153   1.6727   17.934   4.6733   16.900   6.7242   18.900   6.4997   11.617   2.5233   12.344   2.3149 -0.7262707 3.424351 
1 1 1   14   11   38 o   34.337   3.4053  146.500   27.247  146.500   27.247   0.0000   0.0000   34.337   3.4053  ?   ?  0.000000 3.405348 
1 1 1   14   11   39 o   33.526   3.3515  139.800   26.177  139.800   26.177   0.0000   0.0000   33.526   3.3515  ?   ?  0.000000 3.351471 
1 1 1   14   11   40 o   25.636   2.9134   81.300   17.324   81.300   17.324   0.0000   0.0000   25.636   2.9134  ?   ?  0.000000 2.913448 
1 1 1   14   11   41 o   10.982   2.4412   15.200   6.1666   15.200   6.1666   0.0000   0.0000   10.982   2.4412  ?   ?  0.000000 2.441211 
1 1 1   14   11   42 o   34.088   3.4554  147.600   27.429  147.600   27.429   0.0000   0.0000   34.088   3.4554  ?   ?  0.000000 3.455368 
1 1 1   14   11   43 o   31.972   3.3373  130.300   24.824  130.300   24.824   0.0000   0.0000   31.972   3.3373  ?   ?  0.000000 3.337256 
1 1 1   14   11   44 o   10.861   2.4915   15.100   6.2542   15.100   6.2542   0.0000   0.0000   10.861   2.4915  ?   ?  0.000000 2.491482 
1 1 1   14   11   45 o   4.8525   1.8590   2.0000   2.9804   2.0000   2.9804   0.0000   0.0000   4.8525   1.8590  ?   ?  0.000000 1.858974 
1 1 1   14   11   46 o   18.374   2.6748   43.000   11.265   43.000   11.265   0.0000   0.0000   18.374   2.6748  ?   ?  0.000000 2.674798 
1 1 1   14   11   47 o   16.196   2.6881   33.800   9.9203   33.800   9.9203   0.0000   0.0000   16.196   2.6881  ?   ?  0.000000 2.688119 
1 1 1   14   11   48 o   18.752   2.7574   45.900   11.845   45.900   11.845   0.0000   0.0000   18.752   2.7574  ?   ?  0.000000 2.757438 
1 1 1   14   11   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   11   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12    0 o  121.774   9.5520  1796.30  270.784  1796.30  270.784  1796.30  270.784  121.774   9.5520  121.774   9.5520 0.000000 0.000000 
1 1 1   14   12    1 f   22.998   1.8641   62.893   10.036   68.300   14.202   57.500   14.184   23.902   2.5558   21.874   2.8111 2.028223 3.799222 
1 1 1   14   12    2 o  229.646   12.424  6409.54  671.229  6837.90  949.273  5981.20  949.251  234.147   17.291  217.993   18.619 16.15370 25.40980 
1 1 1   14   12    3 o  206.887   11.046  5174.16  537.687  5856.50  760.538  4492.30  760.271  218.135   14.853  189.619   17.166 28.51546 22.69982 
1 1 1   14   12    4 o   45.866   2.7556  249.605   29.706  283.400   42.039  215.900   41.983   48.798   3.6753   42.486   4.2414 6.311939 5.612244 
1 1 1   14   12    5 o   76.571   4.0150  696.112   72.342  873.900  102.405  519.000  102.210   85.688   5.0838   65.710   6.6801 19.97806 8.394547 
1 1 1   14   12    6 o   94.369   4.7993  1058.51  106.594  1298.20  150.932  820.000  150.563  104.325   6.1540   82.526   7.8195 21.79859 9.950699 
1 1 1   14   12    7 o   27.286   2.0888   88.488   13.356   93.900   18.740   82.900   19.041   28.034   2.8714   26.289   3.1287 1.744389 4.246611 
1 1 1   14   12    8 o   78.052   4.0736  723.489   74.820  885.500  105.930  562.200  105.694   86.223   5.2274   68.409   6.6260 17.81446 8.439818 
1 1 1   14   12    9 o   77.845   4.1070  719.806   75.227  870.800  106.509  569.500  106.266   85.484   5.3026   68.848   6.6180 16.63568 8.480285 
1 1 1   14   12   10 o  148.015   7.9899  2627.37  278.227  2763.90  393.447  2490.80  393.497  150.746   11.132  142.816   11.773 7.929916 16.20252 
1 1 1   14   12   11 o   80.700   4.4407  774.359   84.297  834.600  119.254  714.200  119.174   83.540   6.0871   77.153   6.6049 6.386597 8.982127 
1 1 1   14   12   12 o  158.441   8.3443  3016.62  311.091  3549.40  440.107  2484.60  439.790  170.845   10.967  141.824   13.287 29.02086 17.22848 
1 1 1   14   12   13 o   98.700   5.4340  1161.55  126.160  1254.00  178.366  1069.00  178.470  102.138   7.4467   94.101   8.1110 8.037537 11.01094 
1 1 1   14   12   14 o  136.199   7.3950  2226.19  236.942  2280.50  334.952  2171.80  335.222  136.768   10.450  133.335   10.738 3.433319 14.98388 
1 1 1   14   12   15 o  184.365   10.053  4133.77  436.010  4238.20  616.415  4029.20  616.809  183.991   14.300  179.076   14.717 4.915421 20.52010 
1 1 1   14   12   16 o   73.276   4.1298  639.171   71.167  679.300  100.619  599.000  100.672   75.278   5.7028   70.582   6.1001 4.695503 8.350675 
1 1 1   14   12   17 o   74.538   4.1851  661.860   73.364  707.000  103.741  616.700  103.763   76.747   5.7665   71.554   6.2024 5.192612 8.468912 
1 1 1   14   12   18 o   29.827   2.1315  105.756   14.914  109.400   21.075  102.100   21.108   30.243   2.9902   29.190   3.1102 1.052774 4.314464 
1 1 1   14   12   19 o  112.755   6.2114  1530.17  164.743  1789.80  232.951  1270.40  233.013  121.146   8.1913  101.225   9.8741 19.92104 12.82943 
1 1 1   14   12   20 o   68.147   3.9519  554.316   63.321  598.400   89.432  510.000   89.667   70.489   5.4143   64.915   5.9145 5.574043 8.018437 
1 1 1   14   12   21 f   59.199   3.5030  418.056   48.751  442.800   68.798  393.100   69.093   60.656   4.8437   57.047   5.1857 3.608513 7.095965 
1 1 1   14   12   22 o   73.273   4.2924  643.492   73.945  753.700  104.460  532.800  104.689   78.908   5.6434   65.879   6.8288 13.02854 8.858943 
1 1 1   14   12   23 o   55.738   3.2035  370.719   41.987  434.500   59.417  307.100   59.341   60.139   4.2106   50.297   5.0652 9.841496 6.586784 
1 1 1   14   12   24 o   39.298   2.3329  183.784   21.551  226.100   30.557  141.900   30.400   43.501   2.9929   34.259   3.8230 9.242027 4.855213 
1 1 1   14   12   25 o   40.661   2.6402  197.281   25.213  216.200   35.581  178.200   35.733   42.393   3.5880   38.366   4.0031 4.026608 5.375736 
1 1 1   14   12   26 o   37.181   2.5400  165.031   22.167  184.500   31.205  145.200   31.495   39.159   3.4087   34.590   3.9254 4.569305 5.198863 
1 1 1   14   12   27 o   52.554   3.2004  330.952   39.527  366.500   55.820  295.200   55.981   54.988   4.3340   49.136   4.8897 5.852402 6.533983 
1 1 1   14   12   28 o   62.524   3.6962  470.630   54.329  487.900   76.547  453.100   77.122   63.087   5.1842   60.668   5.4412 2.419064 7.515495 
1 1 1   14   12   29 f   28.606   2.1453   97.731   14.386  115.700   20.299   79.600   20.390   31.024   2.8010   25.544   3.4703 5.480247 4.459664 
1 1 1   14   12   30 o   23.071   1.8866   63.585   10.188   61.800   14.348   65.400   14.469   22.594   2.7456   23.264   2.6830 -0.6703262 3.838853 
1 1 1   14   12   31 o   35.768   2.3919  153.118   20.086  159.600   28.367  146.600   28.445   36.292   3.3478   34.723   3.5177 1.568840 4.856162 
1 1 1   14   12   32 o   10.602   1.6717   13.663   4.0464   13.200   5.8064   14.100   5.6420   10.311   2.4253   10.672   2.3062 -0.3604965 3.346718 
1 1 1   14   12   33 o   41.340   2.6372  205.756   25.609  207.100   36.141  204.400   36.293   41.067   3.7689   40.778   3.8133 0.2890167 5.361505 
1 1 1   14   12   34 o   28.806   2.1085   99.652   14.242  104.400   20.138   94.900   20.145   29.255   2.9556   27.829   3.1193 1.426950 4.297117 
1 1 1   14   12   35 o   19.175   1.7909   44.197   8.0151   40.400   11.330   48.000   11.340   18.107   2.7351   19.837   2.4748 -1.729519 3.688507 
1 1 1   14   12   36 o   14.532   1.6836   25.499   5.6704   25.200   8.0024   25.800   8.0359   14.274   2.4633   14.451   2.4419 -0.1777554 3.468481 
1 1 1   14   12   37 o   11.907   1.6405   17.209   4.4901   22.000   6.3773   12.500   6.3228   13.395   2.0840   9.9860   2.6409 3.408692 3.364124 
1 1 1   14   12   38 o   32.425   2.0683  126.652   15.754  154.500   22.360   99.200   22.200   35.596   2.6798   28.192   3.4036 7.403822 4.331997 
1 1 1   14   12   39 o   35.553   2.3389  153.165   19.526  166.400   27.703  140.100   27.525   36.646   3.2346   33.449   3.5385 3.197063 4.794124 
1 1 1   14   12   40 o   5.4208   1.9450   3.0000   3.1655   3.0000   3.1655   0.0000   0.0000   5.4208   1.9450  ?   ?  0.000000 1.945007 
1 1 1   14   12   41 o   41.554   3.9754  221.900   38.532  221.900   38.532   0.0000   0.0000   41.554   3.9754  ?   ?  0.000000 3.975436 
1 1 1   14   12   42 o   18.860   2.6116   44.400   11.319   44.400   11.319   0.0000   0.0000   18.860   2.6116  ?   ?  0.000000 2.611623 
1 1 1   14   12   43 o   17.173   2.5524   37.000   10.036   37.000   10.036   0.0000   0.0000   17.173   2.5524  ?   ?  0.000000 2.552407 
1 1 1   14   12   44 o   15.517   2.5618   30.500   9.0593   30.500   9.0593   0.0000   0.0000   15.517   2.5618  ?   ?  0.000000 2.561789 
1 1 1   14   12   45 o   20.591   2.7196   53.800   12.900   53.800   12.900   0.0000   0.0000   20.591   2.7196  ?   ?  0.000000 2.719575 
1 1 1   14   12   46 o   21.002   2.7868   56.400   13.479   56.400   13.479   0.0000   0.0000   21.002   2.7868  ?   ?  0.000000 2.786768 
1 1 1   14   12   47 o   17.895   2.9262   41.800   11.938   41.800   11.938   0.0000   0.0000   17.895   2.9262  ?   ?  0.000000 2.926250 
1 1 1   14   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   12   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13    0 o  219.553   17.242  5942.00  881.232  5942.00  881.232  5942.00  881.232  219.553   17.242  219.553   17.242 0.000000 0.000000 
1 1 1   14   13    1 f   38.548   2.4170  176.318   21.890  196.000   31.022  156.800   30.892   40.575   3.2654   36.215   3.6627 4.359367 4.907008 
1 1 1   14   13    2 o   99.896   5.2775  1187.34  124.050  1372.50  175.580  1002.80  175.287  107.131   6.9787   91.253   8.2230 15.87774 10.78517 
1 1 1   14   13    3 o  108.590   5.8967  1404.99  150.636  1422.70  213.095  1387.30  212.968  108.782   8.3597  107.387   8.4672 1.394951 11.89866 
1 1 1   14   13    4 o  251.912   13.553  7762.46  803.214  8731.20  1136.18  6794.60  1135.66  263.451   18.379  229.996   21.147 33.45509 28.01765 
1 1 1   14   13    5 o  113.331   5.5200  1524.99  147.724  1880.50  209.272  1171.90  208.556  125.427   7.0948   98.485   9.0698 26.94227 11.51510 
1 1 1   14   13    6 o  135.747   7.2015  2202.90  230.016  2517.00  325.396  1889.20  325.189  144.459   9.5936  124.574   11.173 19.88515 14.72693 
1 1 1   14   13    7 o   35.104   2.4556  146.378   20.227  186.400   28.543  106.000   28.669   39.578   3.0782   29.618   4.2184 9.960201 5.222121 
1 1 1   14   13    8 o  184.562   9.8150  4109.83  426.217  4665.30  602.938  3555.00  602.587  195.040   13.169  169.052   15.260 25.98837 20.15608 
1 1 1   14   13    9 o   79.732   3.8969  752.881   73.369  971.100  103.956  536.300  103.565   90.342   4.8912   66.775   6.6567 23.56696 8.260510 
1 1 1   14   13   10 o   43.290   2.6071  222.374   26.526  269.400   37.544  175.500   37.482   47.594   3.3622   38.254   4.2197 9.339920 5.395415 
1 1 1   14   13   11 o   75.085   4.1621  670.211   73.507  759.500  103.976  581.000  103.931   79.744   5.5564   69.550   6.4001 10.19405 8.475542 
1 1 1   14   13   12 o   73.129   4.0094  635.671   68.972  730.000   97.608  541.600   97.474   78.195   5.3178   67.146   6.2182 11.04926 8.181980 
1 1 1   14   13   13 o  132.284   7.1619  2098.25  222.882  2173.20  315.195  2023.30  315.209  133.651   10.061  128.781   10.456 4.869247 14.51016 
1 1 1   14   13   14 o  197.945   10.822  4784.23  503.941  5121.80  712.599  4446.50  712.761  201.769   15.065  186.951   16.309 14.81786 22.20223 
1 1 1   14   13   15 o   89.633   4.9558  958.273  104.484  1027.80  147.739  888.700  147.787   92.430   6.8171   85.774   7.3681 6.655380 10.03796 
1 1 1   14   13   16 o   91.408   5.0816  997.864  109.252  1051.20  154.413  944.400  154.598   93.345   7.0576   88.329   7.4823 5.015160 10.28565 
1 1 1   14   13   17 o  157.414   8.6607  3014.77  320.690  3234.10  453.396  2795.20  453.652  160.898   12.020  148.808   13.042 12.09003 17.73624 
1 1 1   14   13   18 o   33.990   2.3215  137.339   18.521  148.900   26.149  125.700   26.237   35.299   3.1709   32.363   3.4883 2.935921 4.714139 
1 1 1   14   13   19 o   73.906   4.2520  652.488   73.893  715.600  104.387  589.100  104.616   77.041   5.7801   69.682   6.4304 7.359062 8.646384 
1 1 1   14   13   20 o   60.210   3.5668  432.427   50.486  470.800   71.280  393.800   71.516   62.568   4.8627   57.071   5.3698 5.497337 7.244387 
1 1 1   14   13   21 o   49.638   3.0704  293.687   35.813  319.500   50.514  267.600   50.782   51.581   4.1833   47.084   4.6273 4.497494 6.237892 
1 1 1   14   13   22 o   85.991   4.9817  890.861  100.722  1020.40  142.273  760.700  142.614   91.361   6.6401   78.288   7.8190 13.07307 10.25810 
1 1 1   14   13   23 o   38.991   2.5041  181.103   22.934  202.200   32.431  160.000   32.436   41.068   3.3740   36.413   3.8297 4.655468 5.103981 
1 1 1   14   13   24 o  137.046   7.7087  2339.28  248.452  2539.20  351.339  2139.30  351.389  139.454   10.752  126.625   11.891 12.82866 16.03153 
1 1 1   14   13   25 o   23.402   1.9056   65.312   10.439   62.500   14.794   68.100   14.732   22.752   2.8137   23.789   2.6685 -1.036701 3.877852 
1 1 1   14   13   26 o   84.589   4.8873  868.581   97.204  936.800  137.236  799.900  137.700   86.805   6.7482   79.776   7.3938 7.029320 10.01032 
1 1 1   14   13   27 o   39.164   2.5486  183.192   23.441  189.100   33.035  177.200   33.267   39.578   3.5733   38.265   3.7291 1.313446 5.164742 
1 1 1   14   13   28 o   71.539   4.2091  619.557   70.791  747.000  100.033  491.700  100.196   77.934   5.4704   62.390   6.9174 15.54317 8.818996 
1 1 1   14   13   29 o   52.227   3.2520  327.891   39.907  362.500   56.283  292.900   56.592   54.530   4.4087   48.762   4.9849 5.767601 6.654779 
1 1 1   14   13   30 o   37.197   2.3872  165.440   20.857  154.600   29.350  176.500   29.646   35.685   3.5294   38.208   3.3188 -2.523235 4.844712 
1 1 1   14   13   31 o   34.955   2.3654  146.326   19.410  150.900   27.373  141.700   27.526   35.262   3.3267   34.122   3.4643 1.140549 4.802945 
1 1 1   14   13   32 o   26.211   2.0050   82.250   12.315  100.600   17.416   63.900   17.416   28.882   2.5808   22.780   3.3366 6.101629 4.218225 
1 1 1   14   13   33 o   6.3142   1.7003   4.9000   2.5916   3.4000   3.6651   6.4000   3.6651   5.8182   2.0923   7.2336   2.0513 -1.415344 2.930120 
1 1 1   14   13   34 o   50.417   3.0923  309.215   36.636  313.700   51.725  304.700   51.899   50.028   4.4241   49.243   4.5135 0.7849998 6.320148 
1 1 1   14   13   35 o   50.813   3.1143  315.144   37.188  327.900   52.605  302.400   52.579   51.017   4.4100   48.837   4.6140 2.179688 6.382534 
1 1 1   14   13   36 f   73.345   4.1599  674.805   71.751  610.200  101.164  740.200  101.780   67.031   6.4718   74.797   5.8081 -7.765968 8.695884 
1 1 1   14   13   37 o   44.716   2.8253  243.855   29.679  245.000   41.884  242.700   42.062   44.082   4.0697   43.845   4.1106 0.2366791 5.784448 
1 1 1   14   13   38 o   21.215   1.8256   54.209   9.0562   64.200   12.834   44.300   12.781   22.944   2.4045   18.844   2.9707 4.100679 3.821887 
1 1 1   14   13   39 o   7.4455   1.5262   6.8455   2.5932   12.100   3.8077   2.3000   3.5415   9.9327   1.6836   5.2870   2.0262 4.645723 2.634344 
1 1 1   14   13   40 o   17.566   1.6610   37.212   6.8081   45.400   9.7119   29.300   9.5463   19.287   2.1701   15.279   2.7470 4.008336 3.500746 
1 1 1   14   13   41 o   5.9701   1.5096   4.4229   2.1295   7.7000   3.2663   2.0000   2.8085   7.8561   1.7994   4.7877   1.8116 3.068426 2.553346 
1 1 1   14   13   42 o   37.354   3.7040  179.700   32.240  179.700   32.240   0.0000   0.0000   37.354   3.7040  ?   ?  0.000000 3.703966 
1 1 1   14   13   43 o   13.580   2.5409   23.400   7.8485   23.400   7.8485   0.0000   0.0000   13.580   2.5409  ?   ?  0.000000 2.540876 
1 1 1   14   13   44 o   1.0307   0.5196  -1.9000   0.5887  -1.9000   0.5887   0.0000   0.0000   1.0307   0.5196  ?   ?  0.000000 0.5196204 
1 1 1   14   13   45 o   20.722   2.7608   54.600   13.173   54.600   13.173   0.0000   0.0000   20.722   2.7608  ?   ?  0.000000 2.760807 
1 1 1   14   13   46 o   29.156   3.3262  111.400   22.490  111.400   22.490   0.0000   0.0000   29.156   3.3262  ?   ?  0.000000 3.326213 
1 1 1   14   13   47 o   12.995   2.8145   22.300   8.3866   22.300   8.3866   0.0000   0.0000   12.995   2.8145  ?   ?  0.000000 2.814464 
1 1 1   14   13   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   13   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14    0 o  121.869   9.5643  1800.20  271.340  1800.20  271.340  1800.20  271.340  121.869   9.5643  121.869   9.5643 0.000000 0.000000 
1 1 1   14   14    1 o  121.689   6.5828  1767.45  188.455  1766.50  266.561  1768.40  266.470  120.981   9.4046  121.049   9.3959 -0.6764221E-01 13.29401 
1 1 1   14   14    2 o  112.921   6.0988  1520.30  162.019  1647.60  229.178  1393.10  229.081  117.086   8.3437  107.425   9.1168 9.661156 12.35848 
1 1 1   14   14    3 o  311.048   16.272 12020.69  1191.03 14029.60  1685.92 10019.20  1682.81  329.761   21.774  273.106   26.424 56.65466 34.23935 
1 1 1   14   14    4 o  222.808   11.950  6036.81  626.440  6427.80  886.361  5646.60  885.479  226.878   16.661  211.707   17.880 15.17064 24.43933 
1 1 1   14   14    5 f  121.506   6.5857  1762.86  188.250  1991.70  266.222  1534.00  266.230  128.623   8.8185  112.437   10.136 16.18546 13.43544 
1 1 1   14   14    6 o   90.638   5.2853  978.603  112.630  1243.00  159.117  713.100  159.450  101.948   6.6460   76.606   8.9852 25.34201 11.17596 
1 1 1   14   14    7 o   88.517   4.8023  932.070  100.002  1158.30  141.465  706.100  141.384   98.493   6.1127   76.453   7.9476 22.03981 10.02639 
1 1 1   14   14    8 o   92.994   4.6175  1025.49  101.396  1310.80  143.574  741.600  143.218  104.845   5.8221   78.385   7.8428 26.45937 9.767571 
1 1 1   14   14    9 o   86.101   4.1874  878.548   85.136  1127.70  120.620  631.200  120.183   97.304   5.2693   72.390   7.1230 24.91405 8.860171 
1 1 1   14   14   10 o   28.786   2.0681   98.437   13.964  120.400   19.754   76.500   19.742   31.798   2.6551   25.195   3.4057 6.603359 4.318393 
1 1 1   14   14   11 o  137.389   7.4130  2263.93  239.608  2239.90  338.702  2288.00  339.011  135.535   10.669  137.035   10.558 -1.500168 15.00997 
1 1 1   14   14   12 o   92.485   5.0877  1019.46  110.682  1029.50  156.452  1009.40  156.605   92.506   7.2194   91.573   7.3031 0.9333725 10.26909 
1 1 1   14   14   13 o  157.755   8.5788  3005.01  318.372  3174.00  450.167  2835.90  450.326  160.493   11.964  151.243   12.728 9.249924 17.46811 
1 1 1   14   14   14 o   89.093   4.9386  946.736  103.493  1030.80  146.329  862.600  146.392   92.584   6.7394   84.485   7.4129 8.099205 10.01853 
1 1 1   14   14   15 o  114.044   6.2148  1559.40  166.733  1652.60  235.798  1466.20  235.795  116.606   8.6248  109.580   9.1976 7.025192 12.60888 
1 1 1   14   14   16 o  209.078   11.623  5429.15  571.588  5650.60  808.166  5207.50  808.530  208.127   16.582  198.828   17.396 9.298691 24.03269 
1 1 1   14   14   17 o   35.612   2.4138  150.769   20.178  162.200   28.451  139.200   28.622   36.837   3.3059   34.058   3.6141 2.778965 4.898041 
1 1 1   14   14   18 o   70.219   4.0424  588.411   66.744  611.500   94.164  565.100   94.618   71.235   5.6441   68.393   5.9170 2.842560 8.177217 
1 1 1   14   14   19 o   84.589   4.8460  857.831   96.393  977.300  136.188  737.900  136.452   89.791   6.4664   77.581   7.5437 12.20926 9.935920 
1 1 1   14   14   20 o   90.811   5.1606  991.937  110.206  1200.90  155.785  782.600  155.925   99.350   6.6792   79.375   8.4489 19.97581 10.77013 
1 1 1   14   14   21 f   86.955   4.9986  910.433  102.204  1038.20  144.407  782.200  144.670   92.191   6.6787   79.458   7.8114 12.73267 10.27729 
1 1 1   14   14   22 o   23.329   1.8919   64.850   10.333   75.300   14.613   54.400   14.613   25.073   2.5014   21.188   3.0048 3.884977 3.909706 
1 1 1   14   14   23 o   68.645   3.6666  564.128   59.219  681.100   83.883  447.900   83.616   75.106   4.7543   60.447   5.9345 14.65901 7.604069 
1 1 1   14   14   24 o   52.907   3.0592  334.465   38.056  388.000   53.862  281.100   53.776   56.755   4.0454   48.054   4.8035 8.701504 6.280020 
1 1 1   14   14   25 o  170.535   9.7884  3773.99  392.522  4284.90  555.255  3263.60  554.967  174.735   13.563  147.683   16.179 27.05125 21.11184 
1 1 1   14   14   26 f   20.137   1.7115   48.374   8.0612   56.800   11.453   40.100   11.348   21.757   2.2623   18.158   2.7313 3.598888 3.546537 
1 1 1   14   14   27 o   32.021   2.1964  122.319   16.507  118.700   23.246  126.000   23.444   31.363   3.1829   32.338   3.1084 -0.9750824 4.448920 
1 1 1   14   14   28 o   50.869   3.0030  310.096   35.912  295.200   50.529  325.300   51.050   49.215   4.3942   51.743   4.2147 -2.528114 6.088717 
1 1 1   14   14   29 o   38.178   2.5287  174.423   22.668  197.100   32.006  151.600   32.109   40.390   3.3871   35.240   3.9253 5.149689 5.184670 
1 1 1   14   14   30 o   69.744   4.1637  592.153   68.260  650.000   96.324  533.800   96.744   72.156   5.6997   64.897   6.3962 7.259315 8.567271 
1 1 1   14   14   31 o   60.854   3.6950  450.065   52.845  490.000   74.535  409.700   74.935   62.733   5.0750   56.984   5.6431 5.749020 7.589540 
1 1 1   14   14   32 o   43.071   2.7041  223.416   27.363  219.200   38.544  227.700   38.851   42.214   3.9111   43.052   3.8627 -0.8373413 5.497060 
1 1 1   14   14   33 o   20.435   1.8375   50.127   8.7715   55.700   12.375   44.500   12.435   21.409   2.4946   19.015   2.8578 2.394114 3.793388 
1 1 1   14   14   34 o   60.260   3.5184  445.535   49.847  427.200   70.182  464.200   70.811   57.738   5.2035   60.368   5.0127 -2.630802 7.225214 
1 1 1   14   14   35 o   62.630   3.6940  485.324   54.389  469.300   76.620  501.600   77.218   59.991   5.4689   62.199   5.3083 -2.208229 7.621437 
1 1 1   14   14   36 o   25.032   1.9894   75.471   11.662   78.100   16.430   72.800   16.558   25.228   2.8055   24.300   2.9458 0.9279556 4.067983 
1 1 1   14   14   37 o   35.102   2.4003  149.236   19.777  154.500   27.874  143.900   28.063   35.289   3.3866   33.966   3.5514 1.322830 4.907304 
1 1 1   14   14   38 o   14.067   1.6890   23.953   5.4985   23.500   7.8005   24.400   7.7517   13.742   2.4957   14.027   2.4283 -0.2844095 3.482121 
1 1 1   14   14   39 o   31.767   2.2645  122.287   16.875  134.700   23.829  109.800   23.901   32.991   3.0949   29.575   3.4896 3.416191 4.664299 
1 1 1   14   14   40 o   22.715   1.8395   62.308   9.7821   71.600   13.903   53.200   13.765   24.153   2.4726   20.629   2.9064 3.523806 3.815837 
1 1 1   14   14   41 o   33.058   3.3864  138.400   26.062  138.400   26.062   0.0000   0.0000   33.058   3.3864  ?   ?  0.000000 3.386445 
1 1 1   14   14   42 o   30.979   3.2649  121.900   23.524  121.900   23.524   0.0000   0.0000   30.979   3.2649  ?   ?  0.000000 3.264908 
1 1 1   14   14   43 o   0.9856   0.4981  -1.9000   0.5600  -1.9000   0.5600   0.0000   0.0000   0.9856   0.4981  ?   ?  0.000000 0.4980581 
1 1 1   14   14   44 o   10.973   2.4230   15.400   6.1103   15.400   6.1103   0.0000   0.0000   10.973   2.4230  ?   ?  0.000000 2.422955 
1 1 1   14   14   45 o   12.906   2.5913   21.400   7.6226   21.400   7.6226   0.0000   0.0000   12.906   2.5913  ?   ?  0.000000 2.591251 
1 1 1   14   14   46 o   5.6746   2.2591   2.3000   4.5423   2.3000   4.5423   0.0000   0.0000   5.6746   2.2591  ?   ?  0.000000 2.259149 
1 1 1   14   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   14   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15    0 o   9.6627   2.9419   13.700   5.8618   13.700   5.8618   13.700   5.8618   9.6627   2.9419   9.6627   2.9419 0.000000 0.000000 
1 1 1   14   15    1 o  216.761   11.474  5705.66  585.227  6368.20  828.102  5044.60  827.173  226.438   15.582  199.996   17.698 26.44177 23.57990 
1 1 1   14   15    2 o   51.363   3.0503  313.150   36.830  314.100   52.078  312.200   52.092   51.302   4.3396   51.143   4.3549 0.1586456 6.147971 
1 1 1   14   15    3 o   99.565   5.3202  1180.30  124.630  1276.40  176.436  1084.60  176.072  103.183   7.2881   94.937   7.9265 8.246239 10.76784 
1 1 1   14   15    4 o  127.854   6.4762  1951.01  194.883  2308.00  275.989  1596.00  275.224  138.577   8.4748  114.634   10.277 23.94316 13.32031 
1 1 1   14   15    5 o  129.584   6.6477  2005.40  202.732  2552.50  286.958  1460.20  286.457  145.776   8.3714  109.286   11.262 36.49022 14.03221 
1 1 1   14   15    6 o   39.213   2.4475  182.477   22.550  218.200   31.923  146.900   31.858   42.828   3.1793   35.001   3.9220 7.826591 5.048715 
1 1 1   14   15    7 o   40.819   2.6323  197.833   25.237  223.200   35.633  172.300   35.750   43.281   3.5170   37.921   4.0552 5.359329 5.367825 
1 1 1   14   15    8 o  191.618   10.877  4462.11  490.143  5142.80  692.479  3778.70  693.858  203.564   14.501  172.596   17.256 30.96848 22.53971 
1 1 1   14   15    9 o  166.021   8.2189  3305.28  322.207  3992.00  456.359  2622.70  454.985  181.189   10.714  145.508   13.392 35.68135 17.15041 
1 1 1   14   15   10 o   24.974   1.9464   74.155   11.388   89.100   16.102   59.200   16.107   27.334   2.5231   22.142   3.1713 5.192091 4.052543 
1 1 1   14   15   11 o   77.603   4.3307  716.657   79.044  783.100  111.780  650.200  111.791   80.872   5.8939   73.532   6.5053 7.339378 8.778243 
1 1 1   14   15   12 o   52.068   3.0842  322.050   37.751  372.600   53.389  271.500   53.389   55.902   4.0724   47.562   4.8202 8.340576 6.310253 
1 1 1   14   15   13 o  149.819   8.1169  2709.73  286.086  2990.60  404.600  2428.90  404.574  155.978   11.057  139.788   12.385 16.19057 16.60215 
1 1 1   14   15   14 o   82.382   4.5676  809.244   88.508  880.400  125.174  738.100  125.163   85.587   6.2366   78.178   6.8490 7.408012 9.263048 
1 1 1   14   15   15 o  156.061   8.4054  2957.47  308.609  3165.70  436.682  2749.70  436.197  159.463   11.678  147.936   12.607 11.52707 17.18472 
1 1 1   14   15   16 o   93.299   5.1500  1041.76  113.022  1061.10  159.793  1022.40  159.882   93.542   7.2918   91.759   7.4430 1.782776 10.41960 
1 1 1   14   15   17 o  155.945   8.5931  2975.35  315.214  2992.00  445.067  2958.60  446.495  153.553   12.380  152.586   12.502 0.9674225 17.59408 
1 1 1   14   15   18 o  141.824   8.0508  2460.46  268.509  2711.30  379.305  2208.50  380.155  146.712   11.029  131.254   12.413 15.45769 16.60497 
1 1 1   14   15   19 o   58.618   3.4575  409.874   47.646  480.300   67.347  339.300   67.417   63.250   4.5394   52.885   5.4780 10.36528 7.114397 
1 1 1   14   15   20 o   64.746   3.8028  501.245   57.884  551.200   81.742  451.000   81.980   67.559   5.1630   60.898   5.7697 6.661560 7.742503 
1 1 1   14   15   21 o   59.875   3.5161  428.457   49.495  469.400   69.948  387.400   70.045   62.370   4.7859   56.479   5.3145 5.890343 7.151816 
1 1 1   14   15   22 f   96.415   5.4586  1127.12  123.767  1324.10  174.959  929.800  175.106  103.546   7.2003   85.769   8.7692 17.77675 11.34647 
1 1 1   14   15   23 o   82.254   4.5918  816.454   88.831  880.400  125.672  752.600  125.581   84.616   6.3356   77.912   6.8971 6.703575 9.365380 
1 1 1   14   15   24 o   80.210   4.3995  776.104   83.010  892.000  117.468  660.500  117.320   85.320   5.8662   72.843   6.9030 12.47673 9.058886 
1 1 1   14   15   25 o   34.391   2.2910  141.032   18.499  153.800   26.180  128.300   26.143   35.775   3.1306   32.585   3.4501 3.189907 4.658740 
1 1 1   14   15   26 o   65.340   3.7572  513.795   57.726  568.200   81.640  459.400   81.632   68.190   5.1073   61.004   5.7341 7.185211 7.678810 
1 1 1   14   15   27 o   61.541   3.5489  455.564   51.354  492.500   72.661  418.700   72.590   63.484   4.8845   58.316   5.3303 5.167458 7.229888 
1 1 1   14   15   28 o   62.036   3.7250  464.527   54.314  518.300   76.685  410.400   76.938   64.966   5.0381   57.430   5.7506 7.536831 7.645422 
1 1 1   14   15   29 o   58.471   3.4719  412.403   47.722  419.300   67.232  405.400   67.749   58.343   4.9261   57.297   5.0593 1.046043 7.061407 
1 1 1   14   15   30 o   49.690   3.1160  297.577   36.378  341.300   51.343  253.500   51.549   52.827   4.1492   45.161   4.9132 7.666645 6.430851 
1 1 1   14   15   31 o   55.505   3.4674  374.017   45.219  426.700   63.788  320.800   64.111   58.680   4.6413   50.363   5.4793 8.317516 7.180864 
1 1 1   14   15   32 o   23.420   1.9146   65.748   10.496   65.600   14.769   65.900   14.919   23.210   2.7479   23.258   2.7709 -0.4781532E-01 3.902430 
1 1 1   14   15   33 o   38.226   2.5294  176.291   22.703  182.300   31.998  170.200   32.216   38.481   3.5618   37.100   3.7278 1.381042 5.155859 
1 1 1   14   15   34 o   27.036   2.0299   87.859   12.865   84.500   18.083   91.300   18.305   26.247   2.9699   27.324   2.8805 -1.076666 4.137303 
1 1 1   14   15   35 o   13.230   1.5653   21.118   4.7951   14.800   6.6183   28.100   6.9571   10.860   2.6126   15.203   1.9853 -4.342999 3.281336 
1 1 1   14   15   36 o   40.250   2.6625  196.934   25.163  213.700   35.497  180.000   35.675   41.417   3.6675   37.763   4.0647 3.653820 5.474671 
1 1 1   14   15   37 o   36.525   2.4919  161.933   21.363  181.300   30.148  142.400   30.277   38.235   3.3738   33.588   3.8894 4.647007 5.148810 
1 1 1   14   15   38 o   23.621   1.9376   67.305   10.712   67.700   15.055   66.900   15.246   23.435   2.7743   23.274   2.8326 0.1611137 3.964911 
1 1 1   14   15   39 o   31.000   2.2326  116.532   16.234  127.500   22.925  105.500   22.992   32.072   3.0643   28.978   3.4263 3.094467 4.596686 
1 1 1   14   15   40 o   41.690   2.7233  213.786   26.662  229.000   37.662  198.500   37.750   42.366   3.8052   39.157   4.1458 3.209591 5.627338 
1 1 1   14   15   41 o   26.587   2.9847   88.700   18.415   88.700   18.415   0.0000   0.0000   26.587   2.9847  ?   ?  0.000000 2.984658 
1 1 1   14   15   42 o   12.638   2.4436   20.200   7.0285   20.200   7.0285   0.0000   0.0000   12.638   2.4436  ?   ?  0.000000 2.443612 
1 1 1   14   15   43 o   8.0655   2.2866   8.2000   4.5548   8.2000   4.5548   0.0000   0.0000   8.0655   2.2866  ?   ?  0.000000 2.286582 
1 1 1   14   15   44 o   21.671   2.7717   59.600   13.859   59.600   13.859   0.0000   0.0000   21.671   2.7717  ?   ?  0.000000 2.771686 
1 1 1   14   15   45 o   20.956   2.8920   56.400   13.929   56.400   13.929   0.0000   0.0000   20.956   2.8920  ?   ?  0.000000 2.892023 
1 1 1   14   15   46 o   18.208   2.8108   42.900   11.697   42.900   11.697   0.0000   0.0000   18.208   2.8108  ?   ?  0.000000 2.810845 
1 1 1   14   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   15   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16    0 o  158.231   12.378  3054.90  455.987  3054.90  455.987  3054.90  455.987  158.231   12.378  158.231   12.378 0.000000 0.000000 
1 1 1   14   16    1 o   47.512   2.8695  267.949   32.043  266.700   45.302  269.200   45.328   47.271   4.0991   47.495   4.0813 -0.2249680 5.784414 
1 1 1   14   16    2 o  267.003   12.877  8704.18  811.865 10813.70  1150.03  6608.40  1146.28  293.996   16.634  225.048   21.845 68.94841 27.45724 
1 1 1   14   16    3 o  124.143   6.5495  1840.79  191.316  2084.10  270.764  1598.20  270.361  131.535   8.7677  114.726   10.082 16.80861 13.36115 
1 1 1   14   16    4 o   77.730   4.1840  718.071   76.514  815.400  108.335  621.200  108.080   82.645   5.5840   71.941   6.4300 10.70418 8.516180 
1 1 1   14   16    5 o  200.039   10.225  4844.20  481.379  5642.40  681.543  4049.60  680.005  213.973   13.559  179.507   16.218 34.46629 21.13883 
1 1 1   14   16    6 o  191.385   10.461  4443.27  470.985  5200.00  665.953  3686.00  666.194  205.087   13.832  170.725   16.740 34.36157 21.71554 
1 1 1   14   16    7 o  344.672   20.148 15384.50  1632.69 17027.90  2307.73 13737.60  2310.20  348.207   28.311  305.082   32.571 43.12552 43.15594 
1 1 1   14   16    8 o   99.730   5.2026  1185.11  122.096  1392.20  172.877  979.000  172.464  107.777   6.8280   89.979   8.2073 17.79857 10.67623 
1 1 1   14   16    9 o   75.754   4.4943  683.347   80.035  779.200  112.895  586.500  113.480   80.662   5.9696   69.717   6.9872 10.94446 9.190011 
1 1 1   14   16   10 o   84.585   4.6451  852.117   92.424  1111.30  130.728  593.100  130.686   96.422   5.7680   69.831   8.0743 26.59153 9.922910 
1 1 1   14   16   11 o  154.914   8.1595  2894.83  297.428  3386.80  420.808  2403.70  420.447  166.318   10.773  138.867   12.972 27.45076 16.86187 
1 1 1   14   16   12 o  189.746   10.041  4393.99  448.315  5123.80  634.280  3665.40  633.747  202.470   13.341  169.012   16.073 33.45779 20.88854 
1 1 1   14   16   13 o   19.885   1.8031   47.120   8.3746   50.800   11.811   43.400   11.876   20.573   2.4813   18.955   2.7322 1.618082 3.690783 
1 1 1   14   16   14 o   62.171   3.5728  460.005   52.230  509.700   73.861  410.300   73.869   65.249   4.8281   58.391   5.4191 6.857708 7.257909 
1 1 1   14   16   15 o  162.062   8.9305  3210.15  340.440  3328.90  481.255  3091.20  481.656  162.315   12.656  155.935   13.205 6.379837 18.29048 
1 1 1   14   16   16 o   42.528   2.6706  215.067   26.683  223.800   37.700  206.300   37.771   43.244   3.7283   41.478   3.9023 1.765980 5.397052 
1 1 1   14   16   17 o   73.381   4.2293  643.616   72.974  680.400  102.970  606.500  103.434   75.045   5.8571   70.711   6.2593 4.334351 8.572291 
1 1 1   14   16   18 o   52.728   3.1713  331.312   39.302  371.900   55.540  290.600   55.624   55.680   4.2564   49.051   4.8666 6.629009 6.465402 
1 1 1   14   16   19 o   44.705   2.7769  238.026   29.170  269.800   41.236  206.200   41.269   47.455   3.7093   41.335   4.2906 6.119934 5.671731 
1 1 1   14   16   20 o   8.3456   1.6948   8.5391   3.2259   10.500   4.5182   6.5000   4.6074   9.2326   2.1175   7.4565   2.3460 1.776103 3.160294 
1 1 1   14   16   21 o   30.744   2.1769  112.567   15.702  125.500   22.191   99.600   22.220   32.364   2.9357   28.731   3.3373 3.632257 4.444739 
1 1 1   14   16   22 o   45.221   2.8054  244.027   29.808  251.300   42.076  236.700   42.235   45.661   3.9410   44.270   4.0863 1.390472 5.677072 
1 1 1   14   16   23 o   44.508   2.7518  236.452   28.779  255.600   40.698  217.300   40.702   46.069   3.7742   42.370   4.1203 3.699314 5.587565 
1 1 1   14   16   24 o   49.816   2.7927  296.251   32.720  359.600   46.383  233.500   46.164   54.709   3.6106   43.795   4.5294 10.91481 5.792388 
1 1 1   14   16   25 o   51.818   2.9230  321.024   35.621  383.700   50.467  258.800   50.285   56.432   3.8095   46.038   4.6910 10.39352 6.043008 
1 1 1   14   16   26 o   46.115   2.8124  254.385   30.479  301.700   43.110  207.100   43.097   50.016   3.6759   41.153   4.5086 8.862743 5.817190 
1 1 1   14   16   27 o   26.573   1.9603   84.234   12.214   97.000   17.317   71.600   17.228   28.421   2.6095   24.292   3.0721 4.129240 4.030838 
1 1 1   14   16   28 o   47.868   2.8016  274.514   31.529  318.300   44.659  231.000   44.520   51.285   3.7128   43.422   4.4028 7.863426 5.759293 
1 1 1   14   16   29 o   16.714   1.7431   33.501   6.7785   33.600   9.5202   33.400   9.6538   16.605   2.5059   16.545   2.5531 0.6022453E-01 3.577444 
1 1 1   14   16   30 f   26.067   2.0154   81.314   12.309   82.400   17.294   80.200   17.523   26.068   2.8563   25.693   2.9412 0.3747272 4.099933 
1 1 1   14   16   31 o   38.097   2.5144  174.487   22.492  179.500   31.693  169.400   31.926   38.311   3.5434   37.156   3.6874 1.155396 5.113982 
1 1 1   14   16   32 o   10.087   1.7765   12.463   4.0770   13.600   5.6204   11.200   5.9231   10.458   2.3350   9.5007   2.5756 0.9568911 3.476475 
1 1 1   14   16   33 o   18.025   1.7377   39.041   7.3043   36.600   10.209   41.600   10.455   17.262   2.5841   18.456   2.4601 -1.194326 3.567863 
1 1 1   14   16   34 o   48.546   3.0498  287.640   34.783  311.100   49.098  264.000   49.285   49.772   4.2171   45.535   4.6488 4.237305 6.276551 
1 1 1   14   16   35 o   61.332   3.7047  466.799   53.403  475.800   75.319  457.700   75.728   60.389   5.3368   59.059   5.4930 1.329533 7.658652 
1 1 1   14   16   36 o   39.029   2.6193  185.102   24.000  208.000   33.865  162.000   34.016   40.917   3.5399   35.772   4.1010 5.144608 5.417495 
1 1 1   14   16   37 f   49.494   3.0021  300.229   34.921  281.400   49.165  319.400   49.608   46.865   4.4979   50.175   4.2264 -3.309765 6.172007 
1 1 1   14   16   38 o   26.563   2.0636   85.244   12.842   92.600   18.109   77.800   18.216   27.424   2.8374   24.991   3.1571 2.433031 4.244794 
1 1 1   14   16   39 o   13.284   1.6960   21.443   5.1985   20.700   7.3166   22.200   7.3874   12.849   2.5015   13.335   2.4359 -0.4860277 3.491594 
1 1 1   14   16   40 o   4.6966   1.5009   2.5801   1.8801  -1.8000   2.4163   9.3000   2.9929   3.1131   1.4317   8.7009   1.5116 -5.587741 2.081927 
1 1 1   14   16   41 o   43.649   4.2040  250.400   42.795  250.400   42.795   0.0000   0.0000   43.649   4.2040  ?   ?  0.000000 4.203959 
1 1 1   14   16   42 o   21.533   2.7511   58.400   13.669   58.400   13.669   0.0000   0.0000   21.533   2.7511  ?   ?  0.000000 2.751093 
1 1 1   14   16   43 o   20.132   2.7187   51.300   12.594   51.300   12.594   0.0000   0.0000   20.132   2.7187  ?   ?  0.000000 2.718719 
1 1 1   14   16   44 o   34.742   3.6158  158.600   29.229  158.600   29.229   0.0000   0.0000   34.742   3.6158  ?   ?  0.000000 3.615753 
1 1 1   14   16   45 o   5.9439   2.3029   3.0000   4.6110   3.0000   4.6110   0.0000   0.0000   5.9439   2.3029  ?   ?  0.000000 2.302892 
1 1 1   14   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   16   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17    0 o  189.565   14.905  4423.80  657.720  4423.80  657.720  4423.80  657.720  189.565   14.905  189.565   14.905 0.000000 0.000000 
1 1 1   14   17    1 o   65.574   3.6946  510.845   56.976  462.200   80.531  559.600   80.621   62.110   5.5492   68.470   5.0214 -6.359726 7.483888 
1 1 1   14   17    2 o  132.132   7.1029  2090.71  220.804  2204.70  312.390  1976.90  312.138  134.828   9.8808  127.427   10.466 7.400063 14.39319 
1 1 1   14   17    3 o  186.951   9.8870  4229.99  434.920  4732.70  615.446  3728.50  614.695  195.824   13.390  172.605   15.238 23.21930 20.28502 
1 1 1   14   17    4 o   81.387   4.2974  787.585   82.296  887.100  116.599  688.800  116.171   86.159   5.7643   75.726   6.5615 10.43306 8.733851 
1 1 1   14   17    5 o   62.578   3.3030  464.845   48.636  565.900   68.973  364.900   68.593   68.953   4.2569   55.155   5.3332 13.79845 6.823812 
1 1 1   14   17    6 o  174.682   8.7232  3669.81  359.818  4393.30  509.632  2950.70  508.090  189.574   11.438  153.809   14.148 35.76459 18.19326 
1 1 1   14   17    7 o   65.605   3.7334  511.597   57.597  516.900   81.480  506.300   81.430   65.724   5.2950   65.033   5.3500 0.6911621 7.527276 
1 1 1   14   17    8 o  113.381   4.9416  1527.67  132.303  2075.80  187.732  986.800  186.484  131.958   6.0248   90.070   8.8837 41.88799 10.73401 
1 1 1   14   17    9 o   40.774   2.4708  197.348   23.677  234.900   33.552  160.100   33.417   44.424   3.2204   36.535   3.9354 7.888256 5.085135 
1 1 1   14   17   10 o   31.662   2.1965  119.099   16.321  119.500   23.103  118.700   23.059   31.613   3.1362   31.506   3.1413 0.1076336 4.438900 
1 1 1   14   17   11 o   60.803   3.4795  439.630   49.750  490.800   70.371  388.500   70.344   64.079   4.6831   56.865   5.2997 7.214756 7.072362 
1 1 1   14   17   12 o  199.038   10.695  4877.53  500.802  5702.80  708.464  4053.30  708.018  211.978   14.236  175.705   17.289 36.27371 22.39558 
1 1 1   14   17   13 o  114.616   6.2365  1578.37  168.156  1749.60  237.829  1407.20  237.788  119.842   8.4585  106.973   9.5129 12.86906 12.72952 
1 1 1   14   17   14 o  164.202   9.0215  3300.33  348.458  3491.60  492.760  3109.00  492.829  166.116   12.657  155.985   13.513 10.13156 18.51538 
1 1 1   14   17   15 o   76.452   4.2861  698.101   77.066  711.700  108.984  684.500  108.992   76.762   6.0618   75.236   6.1899 1.526138 8.663732 
1 1 1   14   17   16 o   50.033   3.0576  298.078   35.951  345.100   50.801  250.900   50.885   53.691   4.0365   45.586   4.7992 8.105305 6.271016 
1 1 1   14   17   17 o   55.009   3.2783  360.718   42.391  370.200   59.737  351.100   60.165   55.478   4.6015   53.981   4.7690 1.497089 6.627016 
1 1 1   14   17   18 o  115.333   6.4608  1616.65  175.249  1662.60  247.303  1570.30  248.379  115.339   9.1554  111.843   9.4944 3.495804 13.18961 
1 1 1   14   17   19 o   52.983   3.1954  334.975   39.790  361.200   56.192  308.600   56.353   54.778   4.3808   50.510   4.7816 4.268009 6.484994 
1 1 1   14   17   20 o   30.538   2.1493  111.038   15.400  109.000   21.713  113.100   21.844   30.118   3.0972   30.692   3.0546 -0.5739899 4.350131 
1 1 1   14   17   21 o   31.414   2.2190  117.584   16.354  134.100   23.105  101.000   23.153   33.448   2.9557   28.899   3.4617 4.549026 4.551847 
1 1 1   14   17   22 o   79.900   4.5452  770.618   85.402  836.600  120.714  704.500  120.840   82.479   6.2443   75.334   6.8684 7.144844 9.282598 
1 1 1   14   17   23 o   55.845   3.1503  373.030   41.374  432.500   58.595  313.900   58.428   59.866   4.1710   50.722   4.9409 9.143768 6.466053 
1 1 1   14   17   24 o   66.503   3.7568  531.777   58.755  630.600   83.122  433.100   83.061   71.989   4.9193   59.140   6.0322 12.84847 7.783735 
1 1 1   14   17   25 o   18.976   1.7366   43.019   7.6951   46.600   10.931   39.500   10.835   19.657   2.4051   18.035   2.6209 1.621761 3.557201 
1 1 1   14   17   26 o   63.993   3.6267  492.966   54.578  567.700   77.228  418.400   77.142   68.197   4.8269   58.116   5.6944 10.08095 7.464893 
1 1 1   14   17   27 f   75.294   4.2497  688.248   75.249  778.300  106.449  598.300  106.387   79.215   5.7294   68.846   6.6259 10.36956 8.759489 
1 1 1   14   17   28 o   47.554   2.8402  271.227   31.748  314.100   44.936  228.500   44.860   50.898   3.7655   43.127   4.4699 7.770603 5.844583 
1 1 1   14   17   29 o   76.496   4.2099  714.894   75.753  838.800  107.242  591.500  107.021   81.862   5.5811   67.776   6.7778 14.08602 8.779908 
1 1 1   14   17   30 o   26.982   2.1069   87.266   13.318  103.400   18.767   70.900   18.902   29.241   2.7502   23.988   3.4350 5.253307 4.400374 
1 1 1   14   17   31 o   51.185   3.2776  318.548   39.407  366.200   55.557  270.300   55.903   54.300   4.3699   46.112   5.2263 8.188019 6.812511 
1 1 1   14   17   32 o   36.322   3.4967  162.300   29.620  162.300   29.620   0.0000   0.0000   36.322   3.4967  ?   ?  0.000000 3.496726 
1 1 1   14   17   33 o   48.886   4.3991  300.700   50.238  300.700   50.238   0.0000   0.0000   48.886   4.3991  ?   ?  0.000000 4.399117 
1 1 1   14   17   34 o   39.018   2.6264  184.646   24.057  201.500   33.877  167.500   34.170   40.312   3.5966   36.504   4.0313 3.807880 5.402546 
1 1 1   14   17   35 o   35.035   2.4658  148.716   20.270  176.100   28.580  121.000   28.752   37.806   3.2325   30.922   4.0338 6.883362 5.169168 
1 1 1   14   17   36 o   37.505   2.4787  170.594   21.828  169.300   30.793  171.900   30.948   36.840   3.5852   37.130   3.5738 -0.2904320 5.062169 
1 1 1   14   17   37 o   20.124   1.8472   48.853   8.6796   49.000   12.165   48.700   12.387   19.935   2.6499   19.854   2.7133 0.8191490E-01 3.792627 
1 1 1   14   17   38 o   16.868   1.7712   34.407   6.9494   40.200   9.7801   28.500   9.8766   18.098   2.3435   15.037   2.8864 3.060542 3.717984 
1 1 1   14   17   39 f   18.519   1.7743   41.488   7.6643   28.200   10.834   54.800   10.844   14.826   3.1892   21.184   2.1999 -6.357566 3.874380 
1 1 1   14   17   40 o   23.330   1.9687   66.113   10.744   77.400   15.153   54.700   15.237   25.006   2.6044   20.722   3.2184 4.284796 4.140177 
1 1 1   14   17   41 o   14.477   2.5197   26.400   8.3006   26.400   8.3006   0.0000   0.0000   14.477   2.5197  ?   ?  0.000000 2.519707 
1 1 1   14   17   42 o   9.6918   2.4348   12.000   5.5652   12.000   5.5652   0.0000   0.0000   9.6918   2.4348  ?   ?  0.000000 2.434846 
1 1 1   14   17   43 o   28.061   3.1547  101.100   20.541  101.100   20.541   0.0000   0.0000   28.061   3.1547  ?   ?  0.000000 3.154691 
1 1 1   14   17   44 o   3.1422   1.4897  -3.5000   2.9638  -3.5000   2.9638   0.0000   0.0000   3.1422   1.4897  ?   ?  0.000000 1.489727 
1 1 1   14   17   45 o   27.702   3.2461  100.400   20.832  100.400   20.832   0.0000   0.0000   27.702   3.2461  ?   ?  0.000000 3.246088 
1 1 1   14   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   17   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18    0 o   71.675   5.8581  621.100   97.624  621.100   97.624  621.100   97.624   71.675   5.8581   71.675   5.8581 0.000000 0.000000 
1 1 1   14   18    1 f  184.890   10.023  4147.28  435.954  4212.20  616.628  4082.40  616.436  183.814   14.319  180.783   14.564 3.031754 20.42402 
1 1 1   14   18    2 o  182.744   9.4527  4040.65  406.512  4726.40  575.443  3357.50  574.349  195.949   12.502  163.514   15.044 32.43454 19.56031 
1 1 1   14   18    3 o  217.525   11.611  5791.58  594.237  6328.20  840.984  5256.50  839.774  223.910   16.011  202.508   17.740 21.40161 23.89725 
1 1 1   14   18    4 o   85.101   4.6462  862.346   93.014  1041.70  131.599  683.300  131.486   93.309   6.0045   75.172   7.5077 18.13689 9.613513 
1 1 1   14   18    5 o   80.270   4.4626  767.095   84.253  830.000  119.156  704.200  119.147   83.216   6.1065   76.500   6.6622 6.716087 9.037384 
1 1 1   14   18    6 o  116.883   6.3656  1635.66  175.031  1745.10  247.515  1526.20  247.547  120.002   8.7961  111.956   9.4521 8.045319 12.91170 
1 1 1   14   18    7 o  219.665   10.564  5879.69  547.975  7373.20  776.276  4396.30  773.639  243.230   13.570  183.922   18.046 59.30850 22.57840 
1 1 1   14   18    8 o   70.679   3.7822  594.025   62.896  706.500   89.097  482.300   88.800   76.919   4.9313   63.293   6.0137 13.62594 7.777084 
1 1 1   14   18    9 o   44.243   2.7164  232.533   28.242  251.600   39.958  213.500   39.922   45.912   3.7176   42.221   4.0541 3.690842 5.500574 
1 1 1   14   18   10 o   75.928   4.0989  686.558   73.217  786.800  103.696  586.900  103.394   81.042   5.4503   69.746   6.3473 11.29567 8.366259 
1 1 1   14   18   11 o   35.204   2.2602  147.204   18.690  170.500   26.515  124.200   26.348   37.822   2.9933   32.170   3.5262 5.651562 4.625383 
1 1 1   14   18   12 o   76.127   4.5939  692.417   82.194  826.100  116.017  557.700  116.465   82.857   5.9696   67.616   7.4160 15.24103 9.520143 
1 1 1   14   18   13 o   45.067   2.7857  241.522   29.500  256.600   41.689  226.400   41.749   46.314   3.8468   43.439   4.1194 2.874527 5.636223 
1 1 1   14   18   14 o  101.815   5.5986  1245.75  134.086  1382.20  189.625  1109.30  189.628  106.501   7.5898   94.950   8.5493 11.55165 11.43222 
1 1 1   14   18   15 o  140.573   8.0796  2420.29  267.069  2798.80  377.298  2040.20  378.089  149.150   10.785  125.553   12.938 23.59712 16.84398 
1 1 1   14   18   16 o   28.245   2.0169   94.891   13.363   87.500   18.763  102.500   19.038   26.990   2.9944   29.268   2.7884 -2.277575 4.091640 
1 1 1   14   18   17 o   64.521   3.7598  497.584   57.035  576.700   80.617  418.300   80.702   69.175   4.9684   58.593   5.9137 10.58214 7.723791 
1 1 1   14   18   18 o   75.491   4.4214  684.215   78.473  806.000  110.857  561.900  111.098   81.486   5.7992   67.493   7.0761 13.99239 9.148819 
1 1 1   14   18   19 o   56.905   3.3870  387.019   45.307  419.000   64.005  354.900   64.142   58.914   4.6383   54.068   5.0836 4.845764 6.881669 
1 1 1   14   18   20 o  133.075   7.5439  2198.34  236.083  2602.00  333.792  1794.30  333.950  142.240   10.002  115.475   12.444 26.76492 15.96479 
1 1 1   14   18   21 o   89.862   5.0204  978.370  106.104  970.100  149.786  986.700  150.324   88.277   7.2496   89.058   7.2100 -0.7807388 10.22451 
1 1 1   14   18   22 o   90.339   5.1128  991.332  108.620  1016.40  153.363  966.100  153.861   90.217   7.2604   87.789   7.4939 2.428520 10.43417 
1 1 1   14   18   23 o   37.189   2.4267  164.999   21.193  166.800   29.977  163.200   29.967   37.198   3.4522   36.782   3.4921 0.4160843 4.910425 
1 1 1   14   18   24 o   19.648   1.7407   46.094   7.9928   53.900   11.345   38.400   11.263   21.179   2.3057   17.749   2.7783 3.429892 3.610433 
1 1 1   14   18   25 o   69.752   3.9474  587.137   64.751  641.400   91.625  533.000   91.519   72.243   5.4103   65.535   5.9797 6.707489 8.064057 
1 1 1   14   18   26 o   39.870   2.5069  190.004   23.481  206.800   33.254  173.300   33.162   41.388   3.4335   37.775   3.7680 3.612736 5.097713 
1 1 1   14   18   27 o   1.3049   0.6303  -0.9457   0.5871   3.5000   1.7632  -1.5000   0.6226   5.3385   1.3863   1.1833   0.5869 4.155206 1.505441 
1 1 1   14   18   28 o   29.776   2.0284  105.890   14.177  124.900   20.108   87.100   19.991   32.224   2.6665   26.741   3.2314 5.483433 4.189523 
1 1 1   14   18   29 o   34.544   2.2233  142.831   18.040  163.200   25.587  122.700   25.438   36.746   2.9743   31.693   3.4550 5.053289 4.558914 
1 1 1   14   18   30 f   46.866   2.8112  264.863   30.967  311.300   43.835  218.600   43.753   50.446   3.7058   41.874   4.4952 8.571609 5.825822 
1 1 1   14   18   31 o   67.786   3.7884  564.493   60.397  656.500   85.510  472.900   85.318   72.045   5.0584   60.212   6.0841 11.83305 7.912282 
1 1 1   14   18   32 o   12.095   1.7797   17.792   4.9310   21.400   6.8453   13.900   7.1090   13.184   2.2814   10.546   2.8057 2.638099 3.616172 
1 1 1   14   18   33 o   33.779   2.3876  137.820   18.922  150.000   26.631  125.400   26.891   34.915   3.2680   31.737   3.6550 3.178009 4.902984 
1 1 1   14   18   34 o   30.410   2.1763  111.494   15.524  138.300   21.977   84.800   21.932   33.673   2.7891   25.984   3.6770 7.688320 4.615143 
1 1 1   14   18   35 o   16.835   1.7577   34.191   6.8848   30.700   9.7236   37.700   9.7495   15.710   2.7197   17.531   2.4196 -1.821380 3.640222 
1 1 1   14   18   36 o   41.867   2.8301  214.123   27.815  248.700   39.183  179.000   39.492   44.584   3.7568   37.268   4.5841 7.316277 5.926867 
1 1 1   14   18   37 o   3.5353   1.4742   0.3000   2.0457   0.3000   2.0457   0.0000   0.0000   3.5353   1.4742  ?   ?  0.000000 1.474208 
1 1 1   14   18   38 o   27.318   2.0569   90.321   13.171   87.000   18.545   93.700   18.709   26.439   3.0249   27.492   2.9269 -1.053391 4.209142 
1 1 1   14   18   39 o   10.883   1.7785   14.567   4.4125   17.100   6.1073   11.800   6.3821   11.684   2.2955   9.6663   2.6949 2.017703 3.539994 
1 1 1   14   18   40 o   32.707   2.3814  131.140   18.266  152.000   25.746  110.000   25.919   34.745   3.1731   29.080   3.8706 5.664846 5.005011 
1 1 1   14   18   41 o   21.639   2.7492   58.900   13.731   58.900   13.731   0.0000   0.0000   21.639   2.7492  ?   ?  0.000000 2.749239 
1 1 1   14   18   42 f   5.9107   2.0411   3.9000   3.4619   3.9000   3.4619   0.0000   0.0000   5.9107   2.0411  ?   ?  0.000000 2.041131 
1 1 1   14   18   43 o   16.370   2.6625   34.100   9.9384   34.100   9.9384   0.0000   0.0000   16.370   2.6625  ?   ?  0.000000 2.662535 
1 1 1   14   18   44 o   26.374   3.1261   90.000   19.089   90.000   19.089   0.0000   0.0000   26.374   3.1261  ?   ?  0.000000 3.126060 
1 1 1   14   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   18   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19    0 o  169.169   13.338  3523.00  525.180  3523.00  525.180  3523.00  525.180  169.169   13.338  169.169   13.338 0.000000 0.000000 
1 1 1   14   19    1 o   61.826   3.4844  454.264   50.662  414.100   71.570  494.600   71.723   58.774   5.2109   64.348   4.7539 -5.573830 7.053569 
1 1 1   14   19    2 o   45.261   2.7704  243.297   29.466  246.800   41.692  239.800   41.652   45.454   3.9227   44.792   3.9794 0.6619759 5.587746 
1 1 1   14   19    3 o  106.978   5.7080  1367.61  143.670  1173.20  203.054  1562.50  203.305   98.213   8.8506  113.855   7.6057 -15.64249 11.66963 
1 1 1   14   19    4 o  160.749   8.8360  3129.63  334.115  3272.70  472.042  2986.00  472.979  162.449   12.399  154.725   13.068 7.724106 18.01406 
1 1 1   14   19    5 o  108.163   6.1143  1401.29  155.527  1544.90  219.502  1256.50  220.397  112.931   8.2891  101.442   9.3044 11.48840 12.46123 
1 1 1   14   19    6 o   96.403   4.9065  1108.43  111.324  1354.70  157.700  863.800  157.173  106.267   6.3129   84.332   7.9879 21.93494 10.18127 
1 1 1   14   19    7 o  115.702   6.0975  1604.34  166.003  1832.90  234.975  1376.60  234.553  123.000   8.1361  106.029   9.4678 16.97115 12.48340 
1 1 1   14   19    8 o  134.949   7.2125  2195.10  229.004  2418.40  324.075  1972.40  323.646  140.458   9.8330  126.209   10.969 14.24828 14.73097 
1 1 1   14   19    9 o  139.105   6.9969  2331.28  229.097  2787.20  324.534  1878.40  323.452  151.090   9.1392  122.849   11.276 28.24114 14.51452 
1 1 1   14   19   10 o   97.018   5.3405  1127.00  121.877  1168.20  172.351  1085.80  172.368   98.129   7.4947   94.481   7.7955 3.647568 10.81389 
1 1 1   14   19   11 o  131.635   7.2045  2096.57  223.093  2128.70  315.415  2064.40  315.587  131.030   10.277  128.917   10.457 2.112900 14.66138 
1 1 1   14   19   12 o  137.941   7.2669  2306.81  235.867  2629.70  333.896  1985.20  333.239  145.811   9.7537  125.586   11.360 20.22521 14.97282 
1 1 1   14   19   13 o   56.742   3.2880  383.447   43.866  400.100   62.135  366.900   61.937   57.732   4.5959   55.227   4.7970 2.504208 6.643283 
1 1 1   14   19   14 o   20.667   2.5925   51.400   12.373   51.400   12.373   0.0000   0.0000   20.667   2.5925  ?   ?  0.000000 2.592463 
1 1 1   14   19   15 o   36.508   2.3761  158.557   20.372  175.900   28.846  141.300   28.775   38.348   3.2152   34.277   3.6094 4.071465 4.833739 
1 1 1   14   19   16 o   38.437   2.4983  175.874   22.553  180.300   31.809  171.400   31.980   38.767   3.5129   37.770   3.6304 0.9974251 5.051754 
1 1 1   14   19   17 o   39.775   2.5941  188.462   24.231  235.800   34.246  141.000   34.290   44.402   3.2896   34.064   4.3632 10.33775 5.464311 
1 1 1   14   19   18 o   32.361   2.2336  124.705   16.963  125.500   23.918  123.900   24.063   32.326   3.1743   32.110   3.2169 0.2159958 4.519322 
1 1 1   14   19   19 o   67.122   3.7444  539.927   59.112  612.000   83.727  468.300   83.467   71.068   5.0215   61.854   5.7817 9.213486 7.657890 
1 1 1   14   19   20 o   25.030   1.9136   74.646   11.225   66.400   15.776   83.100   15.974   23.448   2.9118   26.322   2.6042 -2.873755 3.906449 
1 1 1   14   19   21 o   24.923   1.9648   74.069   11.470   78.400   16.186   69.700   16.256   25.534   2.7266   24.023   2.9261 1.510592 3.999522 
1 1 1   14   19   22 o   58.308   3.4138  407.658   46.799  419.200   66.162  396.100   66.205   58.692   4.8163   56.987   4.9696 1.705490 6.920500 
1 1 1   14   19   23 o   79.338   4.4318  761.739   82.695  848.800  116.989  674.800  116.908   82.932   6.0149   73.444   6.8188 9.487541 9.092594 
1 1 1   14   19   24 o   25.629   1.9643   78.366   11.798   82.200   16.761   74.600   16.609   26.125   2.7586   24.851   2.8840 1.274485 3.990914 
1 1 1   14   19   25 o   53.448   3.1926  342.965   40.110  354.900   56.689  331.000   56.761   53.945   4.4911   52.017   4.6708 1.927994 6.479688 
1 1 1   14   19   26 o   82.649   4.7063  834.763   91.470  897.600  129.345  771.900  129.372   84.412   6.5401   77.799   7.1212 6.613281 9.668709 
1 1 1   14   19   27 o   23.896   1.9124   68.247   10.701   69.100   15.157   67.400   15.110   23.897   2.7352   23.591   2.7649 0.3057423 3.889206 
1 1 1   14   19   28 o   18.623   1.7425   41.536   7.5738   44.700   10.735   38.400   10.687   19.205   2.4208   17.734   2.6320 1.471094 3.575986 
1 1 1   14   19   29 o   50.949   2.9935  313.453   35.856  373.700   50.749  253.400   50.667   55.223   3.9172   44.975   4.8474 10.24734 6.232307 
1 1 1   14   19   30 o   64.862   3.5148  513.550   53.633  626.100   76.001  401.900   75.696   70.856   4.5667   55.773   5.8340 15.08326 7.408797 
1 1 1   14   19   31 o   4.7997   1.4359   2.7629   1.7538   4.7000   2.7291   1.4000   2.2891   6.2083   1.7734   4.2273   1.6268 1.980998 2.406557 
1 1 1   14   19   32 o   22.132   1.5574   58.547   8.0872   76.200   11.573   41.700   11.306   25.182   1.9617   18.411   2.6791 6.770489 3.320491 
1 1 1   14   19   33 o   41.152   2.6318  205.352   25.440  200.800   35.792  210.000   36.167   40.114   3.8249   41.059   3.7724 -0.9449959 5.372269 
1 1 1   14   19   34 o   40.004   2.6372  194.322   24.772  200.200   34.825  188.300   35.246   40.069   3.7231   38.749   3.9053 1.320122 5.395654 
1 1 1   14   19   35 o   38.590   2.5750  180.871   23.330  188.900   32.850  172.700   33.138   38.927   3.6151   37.082   3.8401 1.844273 5.273988 
1 1 1   14   19   36 o   36.761   2.5456  164.321   21.962  179.700   30.889  148.600   31.230   37.984   3.4826   34.273   3.9299 3.711521 5.251012 
1 1 1   14   19   37 o   4.8423   1.6760   2.5312   2.3347   0.5000   2.8706   6.5000   4.0126   4.2080   1.7498   7.2940   2.1696 -3.086029 2.787259 
1 1 1   14   19   38 o   16.943   1.8093   34.813   7.1271   39.300   9.9581   30.100   10.205   17.838   2.4271   15.422   2.9089 2.415730 3.788479 
1 1 1   14   19   39 o   37.286   2.5853  171.010   22.622  194.000   31.882  147.700   32.103   39.099   3.4899   33.619   4.1307 5.479378 5.407624 
1 1 1   14   19   40 o   26.967   2.1746   88.950   13.730  105.100   19.299   72.400   19.537   28.976   2.8578   23.597   3.6220 5.379288 4.613633 
1 1 1   14   19   41 o   10.804   2.4559   14.900   6.1236   14.900   6.1236   0.0000   0.0000   10.804   2.4559  ?   ?  0.000000 2.455886 
1 1 1   14   19   42 o   24.680   3.0233   77.800   17.251   77.800   17.251   0.0000   0.0000   24.680   3.0233  ?   ?  0.000000 3.023287 
1 1 1   14   19   43 o   12.373   2.6987   19.800   7.6626   19.800   7.6626   0.0000   0.0000   12.373   2.6987  ?   ?  0.000000 2.698681 
1 1 1   14   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   19   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20    0 o  133.888   10.569  2193.10  329.363  2193.10  329.363  2193.10  329.363  133.888   10.569  133.888   10.569 0.000000 0.000000 
1 1 1   14   20    1 o  159.738   8.6067  3093.64  323.448  3344.20  457.619  2843.50  457.229  164.192   11.883  150.641   12.980 13.55023 17.59838 
1 1 1   14   20    2 o   95.929   4.8878  1097.83  110.353  1324.90  156.363  872.500  155.765  105.057   6.3326   84.762   7.8722 20.29510 10.10312 
1 1 1   14   20    3 o   92.518   5.0934  1022.40  110.847  1003.80  156.759  1041.00  156.763   91.106   7.3491   92.829   7.2080 -1.723846 10.29392 
1 1 1   14   20    4 o  105.623   5.7439  1335.90  142.722  1255.90  201.771  1416.00  201.908  101.560   8.4914  108.068   7.9684 -6.508041 11.64468 
1 1 1   14   20    5 o  199.928   11.218  4942.15  527.457  5563.10  745.576  4320.00  746.299  208.244   15.268  180.969   17.690 27.27496 23.36824 
1 1 1   14   20    6 o  108.882   5.9155  1421.61  151.522  1524.40  214.378  1319.00  214.192  112.000   8.1621  103.893   8.8140 8.106567 12.01272 
1 1 1   14   20    7 o  130.447   7.0164  2052.20  215.332  1868.20  304.357  2236.60  304.694  122.800   10.600  134.976   9.6227 -12.17621 14.31624 
1 1 1   14   20    8 o  113.361   6.1849  1544.92  164.935  1605.70  233.312  1484.20  233.194  114.595   8.6867  109.984   9.0595 4.610352 12.55119 
1 1 1   14   20    9 o  186.525   10.268  4303.92  450.513  4084.70  636.928  4523.40  637.317  176.775   15.413  187.049   14.543 -10.27455 21.19097 
1 1 1   14   20   10 o   91.564   4.9270  1003.61  106.137  1134.50  150.237  873.200  149.963   96.854   6.6084   84.583   7.5890 12.27120 10.06305 
1 1 1   14   20   11 o   48.518   2.9275  280.100   33.383  284.300   47.211  275.900   47.211   48.694   4.1453   47.953   4.2120 0.7415276 5.909720 
1 1 1   14   20   12 o   71.574   4.0145  611.849   67.575  644.500   95.640  579.300   95.492   73.081   5.5843   69.175   5.9024 3.905823 8.125455 
1 1 1   14   20   13 o   86.286   4.5796  891.935   92.976  1044.80  131.646  739.800  131.331   92.930   6.0318   77.701   7.2412 15.22883 9.424291 
1 1 1   14   20   14 o   40.641   2.5667  196.577   24.506  222.700   34.672  170.500   34.641   43.140   3.4320   37.618   3.9592 5.522606 5.239611 
1 1 1   14   20   15 o   38.898   2.5600  180.188   23.382  192.400   32.950  167.800   33.187   40.053   3.5196   37.329   3.8187 2.723457 5.193237 
1 1 1   14   20   16 o   96.694   7.8035  1158.60  176.659  1158.60  176.659   0.0000   0.0000   96.694   7.8035  ?   ?  0.000000 7.803474 
1 1 1   14   20   17 o   58.210   3.5179  405.376   48.129  472.400   67.975  338.000   68.154   62.566   4.6339   52.595   5.5725 9.970982 7.247454 
1 1 1   14   20   18 o   21.036   1.8757   52.816   9.2193   65.900   13.005   39.600   13.071   23.449   2.3818   17.973   3.1971 5.476236 3.986769 
1 1 1   14   20   19 o   42.505   2.5369  215.310   25.347  182.000   35.744  249.000   35.947   38.793   3.9575   45.568   3.3645 -6.775311 5.194397 
1 1 1   14   20   20 o   48.944   2.9133  286.154   33.518  275.500   47.193  297.000   47.614   47.713   4.2326   49.589   4.1031 -1.875374 5.894914 
1 1 1   14   20   21 o   72.121   4.2451  627.715   71.977  737.000  101.691  518.000  101.891   77.571   5.5891   64.394   6.8039 13.17754 8.805110 
1 1 1   14   20   22 o   25.746   2.0104   79.087   12.126   89.700   17.119   68.400   17.178   27.325   2.6878   23.740   3.1414 3.585417 4.134356 
1 1 1   14   20   23 o   50.536   3.0413  305.906   36.124  317.700   51.074  294.100   51.101   51.158   4.2668   49.148   4.4514 2.009541 6.166084 
1 1 1   14   20   24 o   49.436   2.9280  292.722   34.028  337.400   48.165  248.200   48.081   52.810   3.8898   45.029   4.5859 7.780346 6.013380 
1 1 1   14   20   25 o   44.229   2.7501  234.304   28.580  240.500   40.406  228.100   40.431   44.502   3.8840   43.295   4.0000 1.207085 5.575433 
1 1 1   14   20   26 o   92.219   5.2082  1049.89  112.951  1184.40  159.771  915.500  159.704   96.226   7.0811   83.459   8.2099 12.76711 10.84181 
1 1 1   14   20   27 o   87.711   4.9288  951.008  101.670  1089.40  143.858  812.900  143.710   92.238   6.6495   78.420   7.8667 13.81780 10.30050 
1 1 1   14   20   28 o   35.406   2.3354  150.327   19.416  168.600   27.476  132.100   27.442   37.279   3.1508   32.827   3.5991 4.451736 4.783424 
1 1 1   14   20   29 o   81.940   4.6518  836.225   89.636  961.200  126.828  711.500  126.701   86.065   6.2840   72.643   7.4939 13.42210 9.779914 
1 1 1   14   20   30 o   44.788   2.7558  242.491   29.004  266.300   41.068  218.800   40.967   46.480   3.7744   41.895   4.1975 4.585625 5.644911 
1 1 1   14   20   31 o   39.328   2.5053  186.710   23.145  201.700   32.776  171.800   32.687   40.489   3.4614   37.205   3.7729 3.284550 5.120099 
1 1 1   14   20   32 o   18.649   1.4777   41.603   6.4540   58.800   9.2663   25.400   8.9946   22.132   1.7883   14.263   2.7704 7.869478 3.297480 
1 1 1   14   20   33 o   42.420   2.4585  217.513   24.521  259.400   34.819  176.300   34.538   45.962   3.2287   37.477   3.9629 8.484798 5.111647 
1 1 1   14   20   34 o   14.788   1.7740   26.472   6.0710   30.800   8.4708   21.900   8.7054   15.837   2.3352   13.182   2.8774 2.654796 3.705769 
1 1 1   14   20   35 o   22.850   1.9139   62.921   10.232   61.800   14.290   64.100   14.656   22.403   2.7595   22.816   2.7777 -0.4122849 3.915466 
1 1 1   14   20   36 o   15.781   1.7384   30.113   6.3707   30.500   8.8696   29.700   9.1564   15.702   2.4741   15.455   2.6014 0.2470770 3.589991 
1 1 1   14   20   37 o   18.697   1.8677   42.342   8.1356   47.300   11.349   37.100   11.669   19.582   2.5122   17.152   2.9898 2.430681 3.905138 
1 1 1   14   20   38 o   32.658   2.3220  130.100   17.790  133.100   24.953  127.000   25.370   32.518   3.2951   31.666   3.4485 0.8519402 4.769671 
1 1 1   14   20   39 o   28.073   2.0548   95.817   13.526   84.200   19.021  107.700   19.238   25.786   3.1921   29.417   2.8034 -3.631542 4.248394 
1 1 1   14   20   40 o   15.006   1.7710   27.496   6.1544   31.300   8.5980   23.500   8.8134   15.830   2.3733   13.516   2.8510 2.313365 3.709567 
1 1 1   14   20   41 o   30.801   3.3341  122.200   23.863  122.200   23.863   0.0000   0.0000   30.801   3.3341  ?   ?  0.000000 3.334137 
1 1 1   14   20   42 o   9.5130   2.7265   11.600   6.4402   11.600   6.4402   0.0000   0.0000   9.5130   2.7265  ?   ?  0.000000 2.726487 
1 1 1   14   20   43 o   15.500   2.6805   30.800   9.4559   30.800   9.4559   0.0000   0.0000   15.500   2.6805  ?   ?  0.000000 2.680535 
1 1 1   14   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   20   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21    0 o   8.6466   2.9811   11.500   5.4802   11.500   5.4802   11.500   5.4802   8.6466   2.9811   8.6466   2.9811 0.000000 0.000000 
1 1 1   14   21    1 o   72.203   3.9656  620.992   67.353  682.100   95.376  560.200   95.128   75.411   5.3916   68.177   5.9691 7.233902 8.043546 
1 1 1   14   21    2 o   60.525   3.4949  435.952   49.737  431.300   70.354  440.600   70.322   59.950   5.0159   60.609   4.9569 -0.6588516 7.051908 
1 1 1   14   21    3 o   71.322   4.0232  606.249   67.482  603.600   95.418  608.900   95.448   70.823   5.7553   71.141   5.7304 -0.3184280 8.121632 
1 1 1   14   21    4 o   59.553   3.3387  421.900   46.763  511.300   66.188  332.800   66.077   65.427   4.3082   52.520   5.4051 12.90748 6.912019 
1 1 1   14   21    5 o   54.526   3.1446  353.610   40.317  418.600   57.056  288.800   56.978   59.200   4.1069   48.961   4.9984 10.23898 6.469223 
1 1 1   14   21    6 o   71.019   3.9913  601.409   66.663  656.000   94.312  546.900   94.240   73.881   5.4443   67.291   5.9936 6.589157 8.097130 
1 1 1   14   21    7 o   16.412   1.6600   32.166   6.3450   38.800   9.0312   25.700   8.9162   17.979   2.1712   14.498   2.7038 3.481091 3.467659 
1 1 1   14   21    8 o  106.185   5.8287  1356.29  145.592  1386.10  205.951  1326.50  205.844  106.373   8.2640  103.959   8.4586 2.413979 11.82548 
1 1 1   14   21    9 o   85.625   4.7211  877.809   95.087  915.500  134.636  840.300  134.311   86.880   6.6123   83.115   6.9059 3.765259 9.561042 
1 1 1   14   21   10 o   28.509   2.0383   96.661   13.631  107.100   19.314   86.300   19.241   29.932   2.7638   26.792   3.0984 3.139982 4.151985 
1 1 1   14   21   11 o   80.091   4.4921  768.267   84.614  807.800  119.636  728.700  119.688   81.598   6.2566   77.353   6.6162 4.245186 9.106013 
1 1 1   14   21   12 f   61.006   3.5185  444.133   50.471  475.000   71.397  413.300   71.357   62.804   4.8519   58.465   5.2237 4.339188 7.129385 
1 1 1   14   21   13 o   93.017   5.1895  1042.38  113.531  1050.70  160.230  1034.00  160.887   92.447   7.4019   91.659   7.4990 0.7887878 10.53677 
1 1 1   14   21   14 f   94.179   5.2744  1070.38  116.825  1094.00  164.936  1046.60  165.496   94.205   7.4759   92.019   7.6867 2.185562 10.72264 
1 1 1   14   21   15 o   17.280   1.7502   35.697   7.0431   36.000   10.002   35.400   9.9190   17.240   2.5325   17.092   2.5344 0.1476650 3.582859 
1 1 1   14   21   16 o   48.303   2.9985  278.524   34.033  294.200   47.941  262.600   48.320   49.408   4.1475   46.588   4.4463 2.820328 6.080418 
1 1 1   14   21   17 o  115.982   6.6819  1654.93  182.225  1863.90  257.439  1445.10  257.972  121.103   9.0682  105.291   10.516 15.81203 13.88620 
1 1 1   14   21   18 o   33.512   3.2517  135.100   25.408  135.100   25.408   0.0000   0.0000   33.512   3.2517  ?   ?  0.000000 3.251737 
1 1 1   14   21   19 o   42.996   2.7263  220.708   27.537  233.200   38.853  208.100   39.034   43.983   3.7776   41.468   4.0375 2.514626 5.529120 
1 1 1   14   21   20 o  104.857   6.0501  1351.58  149.166  1482.70  210.686  1219.80  211.220  107.976   8.3275   97.006   9.3362 10.96970 12.51044 
1 1 1   14   21   21 o   26.309   2.0169   82.568   12.435   86.000   17.540   79.100   17.630   26.726   2.8220   25.591   2.9728 1.134949 4.098932 
1 1 1   14   21   22 o   46.634   2.8402  260.138   31.127  277.100   44.037  243.200   44.005   47.860   3.9314   44.734   4.2155 3.125282 5.764190 
1 1 1   14   21   23 o   98.980   5.5671  1205.82  129.589  1257.10  183.320  1154.60  183.214   99.069   7.9020   94.558   8.2890 4.510612 11.45207 
1 1 1   14   21   24 o   48.924   2.9743  287.110   34.198  298.500   48.342  275.700   48.385   49.520   4.1730   47.512   4.3614 2.007771 6.036183 
1 1 1   14   21   25 o   37.471   2.4391  167.989   21.464  197.400   30.361  138.600   30.350   40.449   3.2049   33.664   3.8896 6.785355 5.039823 
1 1 1   14   21   26 o   80.373   4.5148  792.534   85.339  902.600  120.751  682.700  120.624   84.514   6.0915   72.576   7.1305 11.93731 9.378169 
1 1 1   14   21   27 o   22.976   1.8801   63.189   10.111   67.700   14.318   58.700   14.281   23.645   2.6077   21.949   2.8207 1.696196 3.841380 
1 1 1   14   21   28 o   11.780   1.6513   16.803   4.4672   17.500   6.3048   16.100   6.3303   11.901   2.3269   11.389   2.4280 0.5119791 3.363007 
1 1 1   14   21   29 f   21.526   1.8620   55.605   9.3717   55.200   13.341   56.000   13.168   21.255   2.7204   21.427   2.6598 -0.1714764 3.804646 
1 1 1   14   21   30 o   28.070   1.9683   94.506   12.964  119.100   18.388   70.200   18.280   31.387   2.5018   23.797   3.3456 7.590113 4.177591 
1 1 1   14   21   31 o   49.526   3.0033  298.766   34.957  327.100   49.466  270.500   49.407   51.147   4.1309   46.184   4.5913 4.963417 6.176104 
1 1 1   14   21   32 o   40.427   2.2333  196.741   21.237  262.400   30.187  132.400   29.882   46.479   2.7629   32.436   3.9853 14.04303 4.849329 
1 1 1   14   21   33 o   10.114   1.4707   12.416   3.4094   18.000   4.9826   7.5000   4.6752   12.154   1.7897   7.8459   2.3437 4.308169 2.948901 
1 1 1   14   21   34 o   4.3406   1.5059   2.0138   1.8854   0.4000   3.0613   3.0000   2.3931   4.3003   1.7992   5.1366   1.6972 -0.8363452 2.473389 
1 1 1   14   21   35 o   37.457   2.5304  170.479   22.250  176.300   31.257  164.500   31.679   37.583   3.5647   36.183   3.7627 1.399693 5.183199 
1 1 1   14   21   36 f   25.229   1.9456   76.831   11.501   71.900   16.076   82.000   16.460   24.088   2.8836   25.799   2.7441 -1.710587 3.980583 
1 1 1   14   21   37 o   19.248   1.8170   44.831   8.1607   44.300   11.349   45.400   11.743   18.893   2.6138   19.108   2.6760 -0.2151031 3.740761 
1 1 1   14   21   38 o   21.046   1.9611   53.849   9.6335   65.800   13.514   41.500   13.737   23.078   2.5207   17.944   3.3656 5.134527 4.204895 
1 1 1   14   21   39 o   15.132   1.7844   27.941   6.2534   28.700   8.6246   27.100   9.0804   15.114   2.5042   14.598   2.7348 0.5166006 3.708072 
1 1 1   14   21   40 o   44.344   3.0263  248.100   31.500  305.200   44.412  190.300   44.684   48.161   3.9397   36.475   5.3466 11.68624 6.641380 
1 1 1   14   21   41 o   14.181   2.7436   25.800   8.8550   25.800   8.8550   0.0000   0.0000   14.181   2.7436  ?   ?  0.000000 2.743640 
1 1 1   14   21   42 o   32.176   3.4829  135.300   26.040  135.300   26.040   0.0000   0.0000   32.176   3.4829  ?   ?  0.000000 3.482931 
1 1 1   14   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   21   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22    0 o   15.425   2.7098   30.600   8.9600   30.600   8.9600   30.600   8.9600   15.425   2.7098   15.425   2.7098 0.000000 0.000000 
1 1 1   14   22    1 o   41.661   2.6189  206.352   25.633  204.900   36.278  207.800   36.224   41.362   3.7552   41.662   3.7213 -0.2994118 5.286710 
1 1 1   14   22    2 o   33.176   2.2496  130.844   17.520  137.200   24.788  124.500   24.766   33.871   3.1347   32.228   3.3009 1.643375 4.552156 
1 1 1   14   22    3 o   70.017   3.9708  584.797   65.381  584.300   92.209  585.300   92.718   69.622   5.6576   69.676   5.6849 -0.5324554E-01 8.020415 
1 1 1   14   22    4 o   59.616   3.3070  423.040   46.372  361.800   65.441  484.800   65.718   54.793   5.1171   63.644   4.3999 -8.851486 6.748592 
1 1 1   14   22    5 o   95.260   5.2207  1088.63  116.988  1156.20  165.533  1021.20  165.361   97.481   7.2429   91.391   7.7350 6.090240 10.59671 
1 1 1   14   22    6 o   54.006   3.1931  347.310   40.540  362.400   57.312  332.200   57.352   54.955   4.4548   52.557   4.6698 2.397713 6.453918 
1 1 1   14   22    7 o   73.014   4.0934  636.861   70.291  604.800   99.347  669.000   99.466   70.669   6.0104   74.439   5.7020 -3.770721 8.284802 
1 1 1   14   22    8 o   44.610   2.6375  236.672   27.660  273.800   39.239  200.000   38.998   47.872   3.4953   40.770   4.1066 7.101784 5.392764 
1 1 1   14   22    9 o  111.248   6.1111  1496.71  159.921  1405.30  226.114  1588.20  226.210  106.271   9.0983  113.369   8.5121 -7.098198 12.45930 
1 1 1   14   22   10 o  119.234   6.5402  1726.96  183.438  1794.80  259.593  1659.30  259.249  119.918   9.2385  115.009   9.6348 4.908958 13.34838 
1 1 1   14   22   11 o   29.866   2.0437  106.086   14.327  125.000   20.322   87.400   20.200   32.353   2.6843   26.927   3.2420 5.426556 4.209074 
1 1 1   14   22   12 o   51.827   3.0918  320.293   37.666  317.900   53.191  322.700   53.345   51.367   4.4285   51.761   4.4063 -0.3937988 6.247163 
1 1 1   14   22   13 o   75.742   4.3420  688.734   77.334  721.000  109.140  656.200  109.594   76.909   6.0586   73.217   6.4033 3.692856 8.815303 
1 1 1   14   22   14 o   87.898   4.9175  932.093  101.658  930.900  143.332  933.300  144.204   86.878   7.0474   86.972   7.0831 -0.9396362E-01 9.991795 
1 1 1   14   22   15 f   68.583   4.0121  564.716   64.693  634.700   91.350  494.300   91.631   72.254   5.3929   63.414   6.1984 8.839951 8.216101 
1 1 1   14   22   16 o   19.658   1.7996   46.137   8.2609   44.300   11.640   48.000   11.725   19.133   2.6474   19.947   2.5475 -0.8137455 3.674054 
1 1 1   14   22   17 o   75.541   4.3310  687.644   76.934  708.300  108.556  666.800  109.047   75.926   6.1064   73.543   6.3412 2.382851 8.803391 
1 1 1   14   22   18 o   29.904   2.2355  106.686   15.672  128.500   22.094   84.600   22.232   32.731   2.8882   26.350   3.6729 6.381464 4.672477 
1 1 1   14   22   19 o   71.314   4.0927  612.888   68.633  619.400   96.784  606.300   97.340   70.967   5.8269   70.157   5.9313 0.8093491 8.314610 
1 1 1   14   22   20 o   55.831   3.3337  373.858   43.750  394.400   61.785  353.200   61.959   56.944   4.6350   53.762   4.9356 3.181908 6.770787 
1 1 1   14   22   21 o   71.173   3.8989  610.475   65.278  561.300   91.969  660.400   92.668   67.393   5.8368   73.373   5.3862 -5.979698 7.942248 
1 1 1   14   22   22 o   16.782   1.7444   33.739   6.8118   39.800   9.6025   27.600   9.6646   18.159   2.2904   14.972   2.8375 3.186756 3.646560 
1 1 1   14   22   23 o   38.121   2.4789  173.757   22.193  183.600   31.376  163.900   31.397   38.969   3.4451   36.744   3.6675 2.224987 5.031857 
1 1 1   14   22   24 o   39.498   2.5334  186.750   23.504  215.400   33.240  158.100   33.240   42.222   3.3618   35.956   3.9818 6.266270 5.211226 
1 1 1   14   22   25 o   50.332   3.0599  305.072   36.195  323.200   51.157  286.900   51.218   51.351   4.2573   48.236   4.5505 3.115009 6.231483 
1 1 1   14   22   26 o   35.253   2.2730  148.839   18.820  184.900   26.657  113.000   26.575   39.142   2.9048   30.287   3.7994 8.855158 4.782560 
1 1 1   14   22   27 o   83.831   4.8204  875.858   95.020  1017.80  134.399  734.000  134.359   88.564   6.4713   73.625   7.8493 14.93935 10.17297 
1 1 1   14   22   28 o   18.549   1.7738   41.316   7.6749   46.400   10.837   36.200   10.871   19.541   2.3989   17.135   2.7822 2.406082 3.673582 
1 1 1   14   22   29 o   22.837   1.8825   62.592   10.061   67.500   14.239   57.700   14.217   23.554   2.6037   21.692   2.8442 1.862375 3.855984 
1 1 1   14   22   30 o   25.354   1.9385   77.199   11.518   88.900   16.324   65.600   16.253   27.049   2.5873   23.061   3.0604 3.988665 4.007499 
1 1 1   14   22   31 o   43.623   2.6996  230.841   27.672  258.300   39.176  203.500   39.092   45.655   3.6648   40.207   4.1784 5.448208 5.557880 
1 1 1   14   22   32 o   7.6439   1.7077   7.2383   3.0046   7.4000   4.4254   7.1000   4.0924   7.7738   2.2695   7.6010   2.1718 0.1728802 3.141200 
1 1 1   14   22   33 o   23.094   1.8791   64.169   10.159   67.900   14.427   60.500   14.307   23.554   2.6392   22.169   2.7952 1.384466 3.844263 
1 1 1   14   22   34 o   23.415   1.7439   65.830   9.5733   82.600   13.651   49.600   13.429   26.113   2.2353   19.982   2.9334 6.131231 3.688005 
1 1 1   14   22   35 o   39.012   2.2841  184.189   20.949  224.000   29.725  144.900   29.529   42.687   2.9674   33.879   3.7543 8.808102 4.785413 
1 1 1   14   22   36 o   9.3572   1.9236   10.890   4.1082   13.700   5.4526   7.2000   6.2481   10.451   2.2740   7.9789   2.7429 2.472360 3.562947 
1 1 1   14   22   37 o   5.3185   1.7523   3.2511   2.5517   4.7000   3.3333   1.2000   3.9659   6.2890   1.9973   5.0869   2.0799 1.202113 2.883649 
1 1 1   14   22   38 o   10.438   1.7205   13.416   4.0930   10.800   5.3830   17.000   6.3016   9.2369   2.4338   11.610   2.3785 -2.373284 3.403062 
1 1 1   14   22   39 o   11.172   1.8706   15.459   4.7602   20.800   6.5293   9.4000   6.9548   12.895   2.2247   8.7988   2.8927 4.096036 3.649250 
1 1 1   14   22   40 o   19.163   2.7080   46.400   11.913   46.400   11.913   0.0000   0.0000   19.163   2.7080  ?   ?  0.000000 2.708030 
1 1 1   14   22   41 o   18.083   2.8112   41.700   11.614   41.700   11.614   0.0000   0.0000   18.083   2.8112  ?   ?  0.000000 2.811219 
1 1 1   14   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   22   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23    0 o   44.742   4.0237  243.000   41.720  243.000   41.720  243.000   41.720   44.742   4.0237   44.742   4.0237 0.000000 0.000000 
1 1 1   14   23    1 o   6.0631   1.7207   4.4547   2.5778   0.3000   3.5481   9.1000   3.7517   4.5992   1.9313   8.6035   1.8976 -4.004287 2.707597 
1 1 1   14   23    2 o   38.199   2.4650  173.540   22.116  183.300   31.291  163.800   31.261   39.135   3.4205   36.945   3.6302 2.189899 4.987809 
1 1 1   14   23    3 o   66.073   3.7608  520.984   58.434  510.300   82.577  531.700   82.698   65.017   5.4283   66.403   5.3187 -1.386490 7.599641 
1 1 1   14   23    4 f  107.623   6.0243  1398.71  152.485  1595.20  215.533  1201.80  215.761  113.979   8.0600   98.155   9.4247 15.82391 12.40117 
1 1 1   14   23    5 o  121.469   6.4644  1787.53  184.754  2026.90  261.564  1549.20  261.000  128.076   8.7002  111.062   10.061 17.01334 13.30122 
1 1 1   14   23    6 o   71.562   4.0524  612.299   68.199  599.800   96.442  624.800   96.452   70.349   5.8589   71.848   5.7328 -1.498726 8.197074 
1 1 1   14   23    7 o   48.351   2.9447  278.478   33.461  300.800   47.292  256.100   47.350   50.072   4.0339   46.102   4.4031 3.970043 5.971589 
1 1 1   14   23    8 o   28.504   2.0772   96.692   13.885   89.800   19.626  103.600   19.647   27.325   3.0963   29.409   2.8656 -2.084318 4.218847 
1 1 1   14   23    9 o   71.104   3.7691  604.093   63.058  738.400   89.364  470.900   88.993   78.340   4.8547   62.113   6.1483 16.22706 7.833876 
1 1 1   14   23   10 o   51.421   3.0757  315.309   37.175  311.100   52.630  319.500   52.517   50.806   4.4312   51.510   4.3586 -0.7032204 6.215541 
1 1 1   14   23   11 o   4.9878   1.5526   2.9178   2.0241  -1.3000   2.8355   7.3000   2.8902   3.6097   1.6160   7.7099   1.6381 -4.100254 2.301026 
1 1 1   14   23   12 o   24.152   1.9841   69.541   11.216   80.100   15.794   58.800   15.930   25.847   2.6241   22.014   3.1546 3.833426 4.103373 
1 1 1   14   23   13 o   45.822   2.8890  250.578   31.099  294.700   43.917  206.200   44.045   49.529   3.7837   41.188   4.6075 8.340397 5.961941 
1 1 1   14   23   14 o   5.2021   1.6931   3.0839   2.3847   10.100   3.3887  -3.8000   3.3566   9.1005   1.6371   3.4060   1.6059 5.694494 2.293243 
1 1 1   14   23   15 o   33.883   2.3136  136.828   18.400  143.200   25.966  130.400   26.078   34.519   3.2228   32.891   3.4071 1.627907 4.689853 
1 1 1   14   23   16 o   47.101   2.8881  264.969   31.967  287.100   45.188  242.800   45.227   48.798   3.9556   44.753   4.3340 4.044746 5.867719 
1 1 1   14   23   17 o   78.809   4.4687  750.262   82.818  752.800  116.857  747.700  117.390   78.031   6.3982   77.735   6.4535 0.2966919 9.087644 
1 1 1   14   23   18 o   22.602   1.9822   61.021   10.472   75.300   14.723   46.400   14.898   25.046   2.5238   19.439   3.3676 5.606623 4.208374 
1 1 1   14   23   19 o   48.449   2.9629  280.880   33.734  292.300   47.644  269.400   47.769   49.120   4.1463   47.084   4.3455 2.036098 6.006290 
1 1 1   14   23   20 o   18.289   1.8415   40.046   7.8446   46.900   10.980   32.900   11.212   19.720   2.4079   16.354   3.0143 3.365694 3.857997 
1 1 1   14   23   21 o   13.382   1.6851   21.554   5.2069   22.200   7.3434   20.900   7.3841   13.465   2.3974   13.040   2.4889 0.4250593 3.455748 
1 1 1   14   23   22 o   54.140   3.2405  352.329   41.237  376.800   58.283  327.800   58.353   55.556   4.4808   51.651   4.8408 3.904701 6.596288 
1 1 1   14   23   23 o   36.536   2.4406  159.742   20.935  164.000   29.463  155.400   29.751   36.787   3.4314   35.763   3.5707 1.023911 4.952256 
1 1 1   14   23   24 o   23.680   1.9248   67.064   10.670   76.700   15.078   57.400   15.100   25.217   2.5680   21.676   3.0332 3.541143 3.974277 
1 1 1   14   23   25 o   31.869   2.2023  121.629   16.472  147.700   23.304   95.600   23.286   34.979   2.8461   27.880   3.6226 7.098818 4.606858 
1 1 1   14   23   26 o   51.567   3.0691  321.641   37.203  355.500   52.660  287.900   52.568   53.685   4.1870   48.014   4.6966 5.670952 6.291974 
1 1 1   14   23   27 o   32.699   2.2011  128.330   16.896  148.200   23.937  108.600   23.853   34.940   2.9283   29.701   3.4662 5.238939 4.537582 
1 1 1   14   23   28 o   45.826   2.8675  254.423   30.874  271.300   43.632  237.500   43.692   46.785   3.9875   43.586   4.3012 3.199196 5.865206 
1 1 1   14   23   29 o   11.679   1.6546   16.550   4.4354   15.700   6.2727   17.400   6.2727   11.222   2.4369   11.847   2.3253 -0.6245394 3.368303 
1 1 1   14   23   30 o   34.306   2.2973  141.913   18.502  166.400   26.186  117.500   26.147   36.886   3.0333   30.695   3.6808 6.190983 4.769598 
1 1 1   14   23   31 o   25.554   1.9457   78.510   11.653   86.500   16.574   70.700   16.386   26.627   2.6720   23.957   2.9594 2.669979 3.987191 
1 1 1   14   23   32 o   20.825   1.7991   52.157   8.7603   60.300   12.422   44.100   12.356   22.253   2.4020   18.861   2.8644 3.391573 3.738212 
1 1 1   14   23   33 o   9.1591   1.5951   10.281   3.3245   14.300   4.8800   6.8000   4.5413   10.761   1.9939   7.5169   2.3233 3.244124 3.061545 
1 1 1   14   23   34 o   21.536   1.7607   55.794   8.8756   67.400   12.638   44.500   12.467   23.538   2.3033   18.907   2.8837 4.630899 3.690683 
1 1 1   14   23   35 o   26.254   1.7642   82.895   10.874  104.800   15.525   61.800   15.235   29.373   2.2555   22.261   2.9725 7.111483 3.731388 
1 1 1   14   23   36 o   27.204   1.8423   89.278   11.765  106.500   16.799   72.700   16.482   29.498   2.4334   24.126   2.9548 5.372749 3.827868 
1 1 1   14   23   37 o   15.833   1.6114   30.328   5.9409   18.600   8.1254   43.800   8.7083   12.041   2.8936   18.958   1.9743 -6.916098 3.502952 
1 1 1   14   23   38 o   14.404   1.7367   25.312   5.7881   18.300   8.0033   33.000   8.3808   11.910   2.8778   16.321   2.2331 -4.411098 3.642639 
1 1 1   14   23   39 o   33.316   2.3734  136.854   18.550  133.500   26.249  140.200   26.218   32.112   3.5192   32.998   3.4141 -0.8854980 4.903160 
1 1 1   14   23   40 o   16.726   2.7412   35.600   10.451   35.600   10.451   0.0000   0.0000   16.726   2.7412  ?   ?  0.000000 2.741202 
1 1 1   14   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   23   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24    0 o  100.363   8.0543  1234.80  188.052  1234.80  188.052  1234.80  188.052  100.363   8.0543  100.363   8.0543 0.000000 0.000000 
1 1 1   14   24    1 o   29.335   2.1154  102.401   14.555   99.200   20.587  105.600   20.580   28.741   3.0814   29.680   2.9765 -0.9388943 4.284229 
1 1 1   14   24    2 o   28.252   2.0638   94.988   13.673   89.400   19.315  100.600   19.358   27.272   3.0516   28.978   2.8667 -1.705311 4.186893 
1 1 1   14   24    3 o   57.981   3.2987  400.864   44.977  481.800   63.661  320.200   63.554   63.382   4.2786   51.369   5.3164 12.01344 6.824198 
1 1 1   14   24    4 o  137.390   6.2893  2284.17  204.042  2996.60  289.477  1580.70  287.650  156.114   7.8780  111.039   11.120 45.07484 13.62778 
1 1 1   14   24    5 o  101.691   5.6008  1249.05  133.974  1328.10  189.524  1170.10  189.413  103.800   7.7890   97.097   8.3422 6.703148 11.41316 
1 1 1   14   24    6 o   39.099   2.4727  181.937   22.712  160.100   32.074  203.900   32.166   36.463   3.7801   41.275   3.3286 -4.812798 5.036717 
1 1 1   14   24    7 o   59.177   3.4539  418.217   48.054  447.200   67.938  389.200   67.979   60.897   4.7624   56.687   5.1341 4.209881 7.002865 
1 1 1   14   24    8 o   54.314   3.1986  352.035   40.843  331.200   57.741  372.900   57.782   52.347   4.7220   55.642   4.4346 -3.294453 6.477862 
1 1 1   14   24    9 o  111.235   6.1017  1505.41  159.658  1637.00  225.911  1374.10  225.670  114.514   8.4133  104.275   9.2614 10.23964 12.51227 
1 1 1   14   24   10 o   92.022   5.1263  1023.39  110.950  1062.80  156.932  984.000  156.883   92.750   7.2222   89.055   7.5309 3.695114 10.43429 
1 1 1   14   24   11 o   33.664   2.3005  135.008   18.178  136.300   25.632  133.700   25.783   33.675   3.2644   33.339   3.3191 0.3357430 4.655410 
1 1 1   14   24   12 o   59.430   3.4685  422.697   48.464  422.300   68.306  423.100   68.773   58.996   4.9489   59.043   4.9792 -0.4661560E-01 7.020242 
1 1 1   14   24   13 o   29.716   2.0867  105.173   14.549  122.400   20.653   88.200   20.500   31.973   2.7627   27.010   3.2815 4.962553 4.289608 
1 1 1   14   24   14 o   64.686   3.7058  501.904   56.370  477.400   79.645  526.500   79.793   62.514   5.4499   65.775   5.1793 -3.260990 7.518386 
1 1 1   14   24   15 o   53.579   3.2083  343.540   40.405  350.500   56.978  336.500   57.306   53.769   4.5298   52.637   4.6586 1.131645 6.497782 
1 1 1   14   24   16 o   27.331   2.0741   89.087   13.286   92.300   18.683   85.800   18.897   27.694   2.9000   26.661   3.0568 1.032722 4.213566 
1 1 1   14   24   17 o   38.556   2.4897  177.414   22.547  172.600   31.769  182.300   32.005   37.806   3.6021   38.881   3.5241 -1.074898 5.039319 
1 1 1   14   24   18 o   23.985   1.9349   68.647   10.866   69.300   15.403   68.000   15.329   23.967   2.7729   23.736   2.7880 0.2312069 3.932164 
1 1 1   14   24   19 o   44.256   2.8464  234.438   29.589  259.900   41.732  208.700   41.958   46.355   3.8473   41.358   4.3620 4.996834 5.816255 
1 1 1   14   24   20 o   43.744   2.7327  228.991   28.085  235.900   39.746  222.100   39.692   44.114   3.8542   42.759   3.9766 1.355160 5.537883 
1 1 1   14   24   21 o   45.256   2.8338  245.453   30.131  262.000   42.545  228.800   42.680   46.458   3.9146   43.294   4.2289 3.164726 5.762547 
1 1 1   14   24   22 o   28.404   2.0824   96.403   13.869  106.700   19.611   86.100   19.618   29.748   2.8257   26.614   3.1849 3.134005 4.257731 
1 1 1   14   24   23 o   36.814   2.4325  162.363   21.027  167.700   29.702  157.000   29.772   37.159   3.4235   35.904   3.5584 1.255123 4.937885 
1 1 1   14   24   24 o   19.340   1.7556   44.792   7.9304   41.700   11.114   48.000   11.320   18.492   2.6182   19.898   2.4617 -1.405512 3.593751 
1 1 1   14   24   25 o   36.187   2.4721  157.420   20.998  164.500   29.450  150.100   29.946   36.697   3.4387   34.954   3.6836 1.742973 5.039220 
1 1 1   14   24   26 o   29.886   2.1691  107.231   15.203  117.300   21.468   97.100   21.534   31.050   2.9639   28.121   3.3060 2.929350 4.440088 
1 1 1   14   24   27 o   31.937   2.2188  122.584   16.630  137.100   23.531  108.100   23.505   33.548   3.0021   29.617   3.4240 3.930771 4.553700 
1 1 1   14   24   28 o   62.709   3.6364  483.869   53.616  585.200   75.874  382.800   75.775   68.032   4.7529   53.858   6.0637 14.17404 7.704420 
1 1 1   14   24   29 o   20.558   1.8432   50.827   8.8528   54.400   12.473   47.200   12.567   21.104   2.5550   19.570   2.7991 1.533686 3.789844 
1 1 1   14   24   30 f   52.487   3.1746  337.121   39.160  365.300   55.409  309.000   55.353   53.793   4.4006   49.125   4.8344 4.668549 6.537340 
1 1 1   14   24   31 o   32.105   2.2220  124.331   16.741  113.100   23.655  135.600   23.696   30.196   3.3753   33.231   3.0539 -3.035040 4.551864 
1 1 1   14   24   32 o   17.852   1.7476   38.398   7.2727   41.200   10.290   35.600   10.281   18.333   2.4372   16.962   2.6538 1.371828 3.603113 
1 1 1   14   24   33 o   15.003   1.7034   27.207   5.9279   25.500   8.4005   28.900   8.3662   14.309   2.5811   15.306   2.3931 -0.9967957 3.519795 
1 1 1   14   24   34 o   22.860   1.8537   63.022   9.9200   72.600   14.087   53.600   13.972   24.353   2.4845   20.736   2.9354 3.616367 3.845658 
1 1 1   14   24   35 o   5.8977   1.6862   4.2646   2.4662   3.2000   3.6061   5.2000   3.3804   5.6797   2.0706   6.5564   2.0007 -0.8767090 2.879268 
1 1 1   14   24   36 o   10.745   1.8287   14.246   4.4739   16.700   6.0573   11.300   6.6363   11.537   2.3041   9.4854   2.7820 2.051681 3.612239 
1 1 1   14   24   37 o   10.226   1.8415   12.967   4.2829   12.700   5.7483   13.300   6.4213   9.9943   2.4538   10.205   2.6434 -0.2111282 3.606741 
1 1 1   14   24   38 o   30.135   2.1958  111.266   15.517  130.300   22.143   92.900   21.752   32.170   2.9477   26.768   3.5272 5.402315 4.596731 
1 1 1   14   24   39 o   19.959   1.9392   48.722   9.0242   55.700   12.697   41.600   12.828   21.075   2.6071   17.933   3.1438 3.141537 4.084183 
1 1 1   14   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   24   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25    0 o   74.220   6.0936  671.500  105.140  671.500  105.140  671.500  105.140   74.220   6.0936   74.220   6.0936 0.000000 0.000000 
1 1 1   14   25    1 o  143.666   7.7451  2544.22  261.779  2868.00  370.541  2221.60  369.881  149.932   10.533  130.283   12.164 19.64961 16.09026 
1 1 1   14   25    2 o  103.523   5.7863  1298.60  140.883  1335.20  198.957  1261.80  199.522  103.666   8.1944  100.585   8.4794 3.081154 11.79186 
1 1 1   14   25    3 o   20.212   1.7217   48.686   8.1392   62.000   11.583   35.700   11.439   22.774   2.1806   17.099   2.9391 5.674793 3.659634 
1 1 1   14   25    4 o   30.039   2.1242  107.410   14.970  114.400   21.232  100.500   21.110   30.894   2.9461   28.906   3.1434 1.987669 4.308251 
1 1 1   14   25    5 o   70.453   3.9362  594.517   65.223  542.000   92.123  647.300   92.356   66.659   5.9140   73.080   5.3899 -6.420700 8.001614 
1 1 1   14   25    6 o   41.105   2.6121  201.317   25.222  195.100   35.717  207.500   35.622   40.257   3.8024   41.553   3.6680 -1.296947 5.283197 
1 1 1   14   25    7 f   66.877   3.6742  535.235   57.800  616.500   81.875  454.500   81.608   71.435   4.8831   61.011   5.7317 10.42339 7.529716 
1 1 1   14   25    8 o   26.459   1.9809   83.384   12.287   90.400   17.460   76.500   17.294   27.454   2.7294   25.195   2.9635 2.259478 4.028884 
1 1 1   14   25    9 o   87.202   4.5924  916.082   94.231  1091.60  133.480  741.700  133.047   94.559   6.0091   77.208   7.3878 17.35107 9.523057 
1 1 1   14   25   10 o   47.916   2.9842  274.182   33.598  303.900   47.410  244.200   47.619   50.230   4.0311   44.861   4.5585 5.368465 6.085186 
1 1 1   14   25   11 o   52.284   3.0850  326.596   37.920  310.400   53.456  343.000   53.798   50.625   4.5192   53.294   4.3118 -2.668720 6.246228 
1 1 1   14   25   12 o   39.804   2.6460  189.085   24.728  208.900   34.811  168.900   35.134   41.671   3.5722   37.332   4.0505 4.339249 5.400683 
1 1 1   14   25   13 o   74.565   3.9834  668.330   69.884  573.800   98.434  764.400   99.233   68.218   6.1776   79.215   5.3361 -10.99722 8.163141 
1 1 1   14   25   14 o   38.617   2.5176  177.932   22.832  203.800   32.269  152.000   32.309   41.184   3.3471   35.399   3.9316 5.785072 5.163413 
1 1 1   14   25   15 o   8.4472   1.8337   8.7818   3.5527   7.5000   4.9020   10.200   5.1561   7.9285   2.4070   9.1012   2.3743 -1.172719 3.380970 
1 1 1   14   25   16 o   75.711   4.2893  692.554   76.369  669.000  107.898  716.200  108.107   73.464   6.2802   76.148   6.0624 -2.684250 8.728904 
1 1 1   14   25   17 o   82.384   4.7597  824.758   92.201  903.800  130.220  745.300  130.563   85.218   6.5207   76.859   7.2807 8.358719 9.773862 
1 1 1   14   25   18 o   65.427   3.7643  515.907   57.912  606.600   81.919  425.300   81.881   70.454   4.9556   58.452   6.0183 12.00199 7.795978 
1 1 1   14   25   19 o   48.795   3.0468  285.636   34.930  316.200   49.289  254.800   49.508   51.022   4.1263   45.585   4.6650 5.437256 6.228107 
1 1 1   14   25   20 o   16.673   1.6386   33.260   6.3678   25.800   8.7403   41.700   9.2962   14.489   2.6524   18.610   2.1554 -4.120811 3.417724 
1 1 1   14   25   21 o   25.455   1.9140   77.381   11.421   70.200   16.021   84.800   16.284   24.060   2.8770   26.526   2.6347 -2.465977 3.901140 
1 1 1   14   25   22 o   41.241   2.6101  204.044   25.287  200.700   35.727  207.400   35.796   40.554   3.7741   41.251   3.7147 -0.6969604 5.295561 
1 1 1   14   25   23 o   19.955   1.8081   47.704   8.4276   53.600   11.914   41.800   11.923   21.045   2.4428   18.467   2.8239 2.577900 3.733836 
1 1 1   14   25   24 o   57.157   3.3647  396.802   45.212  454.200   63.967  339.500   63.913   60.509   4.5092   51.792   5.3006 8.717422 6.959140 
1 1 1   14   25   25 o   43.600   2.6959  229.310   27.620  259.300   39.086  199.400   39.034   45.990   3.6286   40.044   4.1901 5.945534 5.542867 
1 1 1   14   25   26 o   44.494   2.7806  239.445   29.068  234.800   41.085  244.100   41.133   43.489   4.0472   44.391   3.9657 -0.9017982 5.666286 
1 1 1   14   25   27 o   63.007   3.8436  490.498   56.912  517.600   80.196  463.000   80.780   63.384   5.4099   59.545   5.8195 3.839233 7.945618 
1 1 1   14   25   28 o   45.220   2.8404  248.415   30.176  257.600   42.640  239.200   42.709   45.427   4.0164   43.658   4.1945 1.769302 5.807353 
1 1 1   14   25   29 o   24.746   1.9456   73.618   11.277   84.100   15.973   63.200   15.924   26.281   2.6082   22.610   3.0612 3.670845 4.021704 
1 1 1   14   25   30 o   4.6999   1.6099   2.4076   2.1517   0.3000   2.8730   5.1000   3.2472   4.1417   1.7385   6.5006   1.9558 -2.358893 2.616808 
1 1 1   14   25   31 o   36.769   2.4239  163.624   20.928  197.000   29.608  130.300   29.585   40.032   3.1578   32.122   3.9860 7.910019 5.085297 
1 1 1   14   25   32 o   41.922   2.6838  213.902   26.428  220.400   37.369  207.400   37.380   41.930   3.8160   40.582   3.9508 1.348228 5.492816 
1 1 1   14   25   33 o   36.312   2.4529  160.326   20.909  170.400   29.532  150.200   29.608   36.946   3.4239   34.521   3.6893 2.425285 5.033272 
1 1 1   14   25   34 o   14.445   1.6837   25.290   5.6354   26.700   7.9985   23.900   7.9410   14.667   2.3920   13.822   2.5261 0.8446236 3.478898 
1 1 1   14   25   35 o   27.354   2.0547   90.789   13.175   98.900   18.645   82.700   18.619   28.225   2.8359   25.645   3.1402 2.579294 4.231276 
1 1 1   14   25   36 o   19.064   1.7270   44.010   7.6898   35.500   10.644   53.300   11.122   16.763   2.7869   20.806   2.3023 -4.042885 3.614839 
1 1 1   14   25   37 o   15.641   1.7899   29.849   6.4916   29.800   9.0695   29.900   9.2958   15.368   2.5913   15.371   2.6572 -0.2564430E-02 3.711576 
1 1 1   14   25   38 o   5.4956   1.9659   3.1620   3.2316  -0.8000   4.3385   8.1000   4.8434   4.6924   2.0543   8.0494   2.3812 -3.356997 3.144852 
1 1 1   14   25   39 o   14.996   2.8390   28.900   9.6853   0.0000   0.0000   28.900   9.6853  ?   ?    14.996   2.8390 0.000000 2.839034 
1 1 1   14   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   25   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26    0 o   39.929   3.7239  194.100   34.409  194.100   34.409  194.100   34.409   39.929   3.7239   39.929   3.7239 0.000000 0.000000 
1 1 1   14   26    1 o   45.162   2.7798  243.198   29.501  247.500   41.732  238.900   41.710   45.341   3.9369   44.524   4.0103 0.8167686 5.619723 
1 1 1   14   26    2 o   60.981   3.5567  444.984   50.994  456.300   72.009  433.600   72.225   61.359   5.0137   59.754   5.1696 1.604427 7.201553 
1 1 1   14   26    3 o   29.147   2.2417  101.302   15.310  131.700   21.564   70.400   21.742   33.181   2.7777   23.958   3.9830 9.223177 4.855960 
1 1 1   14   26    4 o   33.240   2.2933  131.633   17.891  109.800   25.320  153.400   25.282   30.122   3.6331   35.787   3.0199 -5.664843 4.724361 
1 1 1   14   26    5 o   14.715   1.7291   25.980   5.8937   23.800   8.2966   28.200   8.3739   13.934   2.6176   15.235   2.4077 -1.300227 3.556511 
1 1 1   14   26    6 o   28.120   2.0829   94.213   13.733   97.800   19.385   90.600   19.457   28.533   2.9182   27.428   3.0562 1.105305 4.225666 
1 1 1   14   26    7 o   67.067   3.6711  538.769   57.919  635.200   82.050  443.000   81.769   72.477   4.8218   60.124   5.8328 12.35277 7.567767 
1 1 1   14   26    8 o   50.967   3.0500  310.294   36.539  301.500   51.655  319.100   51.692   49.917   4.4283   51.399   4.2985 -1.481930 6.171421 
1 1 1   14   26    9 o   53.699   3.2322  344.880   40.793  433.700   57.665  255.900   57.717   60.021   4.0930   45.644   5.4635 14.37672 6.826622 
1 1 1   14   26   10 o   44.057   2.5016  231.246   25.918  192.000   36.226  272.400   37.096   39.861   3.8986   47.676   3.3157 -7.815094 5.117925 
1 1 1   14   26   11 o   51.996   3.1460  323.417   38.445  343.000   54.277  303.700   54.462   53.244   4.3552   49.988   4.6679 3.255413 6.384101 
1 1 1   14   26   12 o   44.882   2.7101  240.434   28.587  221.300   40.204  260.000   40.656   42.768   4.0284   46.459   3.7375 -3.691612 5.495186 
1 1 1   14   26   13 o   58.111   3.4130  404.894   46.628  403.600   65.797  406.200   66.089   57.562   4.8869   57.746   4.8926 -0.1844444 6.915175 
1 1 1   14   26   14 f   53.119   3.0521  337.584   38.122  304.400   53.700  371.300   54.128   50.009   4.5989   55.411   4.1673 -5.402359 6.206179 
1 1 1   14   26   15 o   88.934   5.0427  963.405  105.463  975.100  148.797  951.600  149.501   88.085   7.2171   86.911   7.3535 1.173325 10.30345 
1 1 1   14   26   16 o  104.458   5.9148  1346.13  145.297  1356.30  205.168  1335.90  205.795  102.504   8.5544  101.621   8.6586 0.8828735 12.17171 
1 1 1   14   26   17 o   85.985   4.9826  903.433  100.735  985.600  142.260  820.800  142.663   88.515   6.8597   80.158   7.6291 8.357079 10.25955 
1 1 1   14   26   18 o   59.981   3.5303  433.376   49.781  442.000   70.296  424.700   70.507   59.985   5.0086   58.734   5.1354 1.251144 7.173397 
1 1 1   14   26   19 o   54.895   3.3217  362.917   42.856  388.000   60.468  337.600   60.748   56.277   4.5902   52.303   4.9787 3.974205 6.771771 
1 1 1   14   26   20 o   19.685   1.8077   46.381   8.3091   43.600   11.712   49.200   11.790   18.919   2.6980   20.153   2.5335 -1.233585 3.701059 
1 1 1   14   26   21 o   40.971   2.6064  201.450   25.085  223.400   35.476  179.500   35.476   42.873   3.5357   38.247   3.9865 4.625286 5.328594 
1 1 1   14   26   22 o   36.981   2.4346  164.099   21.142  162.300   29.890  165.900   29.908   36.465   3.5148   36.884   3.4749 -0.4186707 4.942552 
1 1 1   14   26   23 o   13.877   1.6923   23.217   5.4303   23.800   7.5710   22.600   7.7932   13.918   2.3897   13.525   2.5333 0.3930454 3.482559 
1 1 1   14   26   24 o   54.028   3.2066  354.528   40.726  399.700   57.641  309.500   57.550   56.740   4.3349   49.496   4.9921 7.244453 6.611564 
1 1 1   14   26   25 o   35.836   2.3438  154.477   19.724  143.100   27.806  166.000   27.983   34.097   3.5033   36.848   3.2492 -2.751339 4.778178 
1 1 1   14   26   26 o   41.138   2.6093  204.513   25.217  249.500   35.676  159.600   35.647   45.120   3.3729   35.596   4.3301 9.523521 5.488753 
1 1 1   14   26   27 o   34.067   2.3091  139.886   18.466  133.700   26.085  146.100   26.144   32.910   3.4058   34.482   3.2492 -1.571518 4.707086 
1 1 1   14   26   28 o   33.583   2.2927  135.991   18.073  148.800   25.567  123.200   25.550   34.827   3.1428   31.525   3.4908 3.301884 4.697058 
1 1 1   14   26   29 o   17.468   1.6835   36.696   6.8582   30.800   9.2196   44.000   10.262   15.790   2.5603   18.996   2.3369 -3.206277 3.466509 
1 1 1   14   26   30 o   22.189   1.8939   59.272   9.8281   62.000   13.844   56.500   13.955   22.495   2.6576   21.408   2.8299 1.086857 3.882156 
1 1 1   14   26   31 o   58.892   3.5527  429.856   49.175  456.200   69.537  403.500   69.552   59.323   5.0108   55.397   5.3850 3.926064 7.355724 
1 1 1   14   26   32 o   22.020   1.8612   58.463   9.5868   65.100   13.648   52.000   13.469   23.044   2.5511   20.463   2.8660 2.580267 3.836900 
1 1 1   14   26   33 o   11.847   1.7005   17.118   4.6206   15.600   6.5731   18.600   6.4966   11.117   2.5572   12.207   2.3389 -1.090669 3.465505 
1 1 1   14   26   34 f   12.982   1.6792   20.507   5.0271   21.800   7.0906   19.200   7.1284   13.217   2.3583   12.341   2.5310 0.8763361 3.459447 
1 1 1   14   26   35 o   10.485   1.7993   13.570   4.2943   10.100   6.2363   16.700   5.9221   9.0016   2.7110   11.542   2.2537 -2.540660 3.525392 
1 1 1   14   26   36 o   21.227   1.9600   54.921   9.7135   58.100   13.916   51.900   13.565   21.498   2.8084   20.252   2.9209 1.246143 4.052025 
1 1 1   14   26   37 o   10.345   2.0277   13.409   4.7765   16.100   6.4766   10.200   7.0725   11.234   2.5054   9.0817   2.9120 2.151765 3.841456 
1 1 1   14   26   38 o   17.840   2.7733   40.400   11.303   0.0000   0.0000   40.400   11.303  ?   ?    17.840   2.7733 0.000000 2.773323 
1 1 1   14   26   39 o   9.8858   2.6751   12.600   6.3967   0.0000   0.0000   12.600   6.3967  ?   ?    9.8858   2.6751 0.000000 2.675110 
1 1 1   14   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   26   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27    0 o   85.065   6.9327  888.500  137.128  888.500  137.128  888.500  137.128   85.065   6.9327   85.065   6.9327 0.000000 0.000000 
1 1 1   14   27    1 o   74.247   4.2135  662.913   73.569  585.200  104.051  740.600  104.033   68.891   6.4721   77.921   5.6934 -9.030243 8.619925 
1 1 1   14   27    2 o   50.643   2.9916  306.218   35.617  334.900   50.441  277.700   50.298   52.725   4.0833   47.876   4.5019 4.849190 6.077856 
1 1 1   14   27    3 o   49.280   2.9882  290.017   34.609  308.500   48.921  271.500   48.967   50.577   4.1323   47.350   4.4310 3.227261 6.058888 
1 1 1   14   27    4 f   34.935   2.3317  145.428   19.124  136.900   27.011  154.000   27.082   33.705   3.4421   35.807   3.2379 -2.102230 4.725684 
1 1 1   14   27    5 o   25.638   1.9769   78.338   11.876   65.900   16.787   90.800   16.803   23.321   3.1271   27.525   2.6167 -4.204529 4.077507 
1 1 1   14   27    6 o   21.263   1.8449   53.945   9.1714   57.300   12.980   50.600   12.961   21.816   2.5689   20.450   2.7539 1.365417 3.766018 
1 1 1   14   27    7 o   44.632   2.7303  237.715   28.637  257.700   40.585  217.900   40.413   46.268   3.7469   42.442   4.0828 3.826721 5.541531 
1 1 1   14   27    8 o   29.520   2.1183  103.860   14.668  100.000   20.639  107.800   20.851   28.812   3.0813   29.943   2.9889 -1.131151 4.292771 
1 1 1   14   27    9 o   16.684   1.8660   33.383   7.2252   42.600   10.069   23.600   10.374   18.806   2.3164   13.794   3.2399 5.011467 3.982829 
1 1 1   14   27   10 o   26.381   1.9362   82.923   11.978   66.100   16.803  100.300   17.078   23.344   3.1268   28.945   2.5238 -5.600819 4.018317 
1 1 1   14   27   11 o   42.303   2.6559  213.673   26.396  209.000   37.223  218.400   37.437   41.585   3.8339   42.534   3.7663 -0.9489059 5.374365 
1 1 1   14   27   12 o   27.034   1.9055   87.050   12.086   63.900   16.984  110.800   17.203   22.918   3.2278   30.445   2.4126 -7.526621 4.029810 
1 1 1   14   27   13 o   66.647   3.8756  534.974   60.730  560.100   85.760  509.700   86.012   67.576   5.4200   64.307   5.7241 3.268959 7.882983 
1 1 1   14   27   14 o   38.535   2.5262  177.394   22.860  201.100   32.298  153.600   32.359   40.860   3.3778   35.542   3.9209 5.318729 5.175178 
1 1 1   14   27   15 o   98.431   5.3993  1189.06  125.017  1109.40  176.213  1269.80  177.394   92.891   8.1149   99.931   7.5738 -7.040932 11.10022 
1 1 1   14   27   16 o   18.065   1.7181   39.029   7.2409   26.200   10.046   52.900   10.446   14.546   3.0235   20.997   2.1366 -6.451264 3.702219 
1 1 1   14   27   17 f   70.378   4.0219  600.134   66.562  579.200   93.873  621.300   94.394   68.152   5.8911   70.718   5.7011 -2.565613 8.198014 
1 1 1   14   27   18 o   39.385   2.3771  185.440   22.004  152.600   30.906  219.200   31.336   35.372   3.7577   42.647   3.1336 -7.275650 4.892811 
1 1 1   14   27   19 o   49.144   2.7599  289.791   31.898  240.200   44.861  340.500   45.364   44.191   4.3557   52.977   3.6485 -8.786259 5.681848 
1 1 1   14   27   20 o   21.982   1.8787   57.849   9.6581   58.100   13.684   57.600   13.634   21.871   2.7075   21.774   2.7102 0.9648895E-01 3.830894 
1 1 1   14   27   21 o   7.8354   1.7949   7.5878   3.2496   5.3000   4.5834   9.9000   4.6079   6.9206   2.3497   8.9361   2.1987 -2.015531 3.218004 
1 1 1   14   27   22 o   10.311   1.6649   12.950   3.9158   10.500   5.5378   15.400   5.5378   9.2102   2.4877   11.173   2.1773 -1.962306 3.305929 
1 1 1   14   27   23 o   61.390   3.6203  460.940   52.249  500.100   73.901  421.800   73.882   62.977   5.0108   57.426   5.5162 5.551006 7.452338 
1 1 1   14   27   24 o   38.954   2.5439  183.018   23.272  194.800   32.886  171.200   32.936   39.813   3.5348   37.190   3.8040 2.623348 5.192792 
1 1 1   14   27   25 o   59.620   3.5230  436.062   49.378  426.900   69.687  445.300   69.976   57.770   5.1629   59.094   5.0637 -1.323761 7.231576 
1 1 1   14   27   26 o   51.973   3.1661  329.758   38.672  372.000   54.685  287.500   54.695   54.488   4.2847   47.402   4.9598 7.085526 6.554296 
1 1 1   14   27   27 o   65.463   3.8817  531.650   59.736  536.700   84.477  526.600   84.482   64.101   5.6384   63.424   5.7018 0.6771393 8.018840 
1 1 1   14   27   28 o   10.675   1.7003   13.910   4.1423   14.600   5.8167   13.200   5.9003   10.820   2.3443   10.270   2.4645 0.5505915 3.401363 
1 1 1   14   27   29 o   37.106   2.4365  166.571   21.230  187.700   30.045  145.500   30.004   39.023   3.2912   34.088   3.7917 4.935154 5.020846 
1 1 1   14   27   30 o   36.448   2.4413  160.913   20.890  165.100   29.497  156.700   29.591   36.464   3.4675   35.458   3.5832 1.005558 4.986283 
1 1 1   14   27   31 o   37.501   2.4634  170.820   21.692  186.200   30.708  155.500   30.648   38.686   3.3959   35.132   3.7524 3.553501 5.060842 
1 1 1   14   27   32 o   16.955   1.7409   34.752   6.8713   34.400   9.7489   35.100   9.6865   16.649   2.5619   16.835   2.5136 -0.1865616 3.589100 
1 1 1   14   27   33 o   31.884   2.2738  123.731   17.007  131.000   24.002  116.400   24.103   32.361   3.1821   30.357   3.4220 2.004227 4.672883 
1 1 1   14   27   34 o   16.604   1.7201   33.416   6.6460   36.400   9.4542   30.500   9.3446   17.138   2.4022   15.587   2.6326 1.550490 3.563876 
1 1 1   14   27   35 o   22.348   1.8743   60.646   9.7999   50.700   13.451   71.900   14.307   20.018   2.9324   24.076   2.5557 -4.057177 3.889791 
1 1 1   14   27   36 o   6.2150   2.0125   4.5664   3.3717   3.7000   4.6816   5.5000   4.8599   6.2541   2.3448   6.9864   2.4181 -0.7322502 3.368281 
1 1 1   14   27   37 o   33.200   3.5781  142.900   27.608   0.0000   0.0000  142.900   27.608  ?   ?    33.200   3.5781 0.000000 3.578102 
1 1 1   14   27   38 o   31.403   3.5207  128.500   25.658   0.0000   0.0000  128.500   25.658  ?   ?    31.403   3.5207 0.000000 3.520673 
1 1 1   14   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   27   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28    0 o   78.917   6.4823  764.300  118.924  764.300  118.924  764.300  118.924   78.917   6.4823   78.917   6.4823 0.000000 0.000000 
1 1 1   14   28    1 o  135.527   6.1912  2247.60  198.135  1682.10  278.330  2828.60  282.119  113.207   10.533  150.124   7.9870 -36.91704 13.21844 
1 1 1   14   28    2 o  109.309   6.0976  1464.76  156.762  1438.70  221.535  1490.90  221.856  106.141   8.9216  108.206   8.7578 -2.065056 12.50181 
1 1 1   14   28    3 o   48.458   2.9443  280.560   33.532  303.800   47.411  257.300   47.432   50.180   4.0352   46.054   4.4157 4.126453 5.981756 
1 1 1   14   28    4 o   36.642   2.3929  160.067   20.591  178.300   29.146  141.900   29.094   38.535   3.2329   34.261   3.6525 4.273937 4.877744 
1 1 1   14   28    5 o   63.283   3.5890  480.266   53.411  452.500   75.353  508.300   75.716   60.866   5.2956   64.648   4.9987 -3.782082 7.282178 
1 1 1   14   28    6 o   54.011   3.2038  349.150   40.679  350.800   57.534  347.500   57.523   53.766   4.5751   53.504   4.5976 0.2622032 6.486083 
1 1 1   14   28    7 o   35.069   2.3884  146.719   19.661  161.500   27.741  131.800   27.870   36.650   3.2387   32.997   3.6373 3.653111 4.870253 
1 1 1   14   28    8 o   60.701   3.5588  442.240   50.788  472.300   71.777  412.100   71.873   62.285   4.9203   58.011   5.3055 4.273434 7.235868 
1 1 1   14   28    9 o   83.552   4.3059  842.612   84.665  710.200  118.923  978.700  120.563   75.494   6.7420   89.321   5.7466 -13.82761 8.858733 
1 1 1   14   28   10 o   32.155   2.2570  123.351   17.029  123.400   23.850  123.300   24.321   31.996   3.1995   31.969   3.2678 0.2716255E-01 4.573330 
1 1 1   14   28   11 o   32.310   1.9647  124.250   14.919   87.800   20.848  162.500   21.357   26.897   3.3555   36.890   2.4659 -9.992987 4.164168 
1 1 1   14   28   12 o   35.829   2.3033  153.148   19.384  133.300   27.276  173.400   27.552   33.173   3.5366   37.982   3.0990 -4.809406 4.702232 
1 1 1   14   28   13 o   73.418   4.2281  652.708   72.992  664.800  102.981  640.500  103.474   73.180   6.0125   71.731   6.1689 1.449287 8.614237 
1 1 1   14   28   14 o   75.491   4.3840  691.968   77.812  737.300  109.840  646.300  110.247   76.963   6.0937   71.723   6.5830 5.240051 8.970435 
1 1 1   14   28   15 o   32.922   2.2747  129.507   17.576  150.000   24.852  109.000   24.860   35.295   3.0106   29.911   3.5915 5.384205 4.686450 
1 1 1   14   28   16 o   67.864   3.9908  558.917   63.671  611.700   89.945  505.900   90.144   70.190   5.4699   63.422   6.0942 6.768448 8.188980 
1 1 1   14   28   17 o   13.793   1.7920   22.957   5.6990   35.300   8.0410   10.500   8.0783   17.115   2.0292   9.5295   3.1169 7.585187 3.719194 
1 1 1   14   28   18 o   74.939   4.3296  687.886   76.289  683.600  107.717  692.200  108.063   73.269   6.2868   73.750   6.2644 -0.4808350 8.875046 
1 1 1   14   28   19 o   75.060   3.8640  686.613   68.254  561.200   95.836  815.700   97.230   66.231   6.2000   80.900   5.1160 -14.66897 8.038253 
1 1 1   14   28   20 o   56.379   3.2353  385.149   42.892  435.400   60.780  335.300   60.537   59.346   4.3679   51.663   5.0259 7.682678 6.658677 
1 1 1   14   28   21 o   15.871   1.6297   30.235   6.0209   37.700   8.7426   23.500   8.3040   17.648   2.1418   13.771   2.6498 3.876801 3.407095 
1 1 1   14   28   22 o   36.455   2.3001  159.614   19.698  187.900   27.975  131.800   27.741   39.328   3.0359   32.680   3.6576 6.647820 4.753354 
1 1 1   14   28   23 o   35.665   2.4068  153.226   20.151  162.400   28.457  144.000   28.538   36.392   3.3491   34.156   3.5921 2.236076 4.911164 
1 1 1   14   28   24 o   25.477   1.9600   77.928   11.701   72.300   16.444   83.700   16.653   24.285   2.9265   26.211   2.7307 -1.926630 4.002608 
1 1 1   14   28   25 o   17.736   1.7626   37.849   7.2842   38.700   10.307   37.000   10.296   17.766   2.5281   17.348   2.5929 0.4184132 3.621433 
1 1 1   14   28   26 o   20.711   1.8579   51.587   8.9897   55.700   12.657   47.400   12.770   21.359   2.5606   19.603   2.8416 1.756012 3.825098 
1 1 1   14   28   27 o   12.176   1.7345   18.020   4.8459   18.900   6.7767   17.100   6.9323   12.332   2.4135   11.688   2.5807 0.6440039 3.533458 
1 1 1   14   28   28 o   35.961   2.4493  156.506   20.674  174.400   29.192  138.500   29.284   37.596   3.3224   33.252   3.7976 4.344044 5.045818 
1 1 1   14   28   29 o   59.401   3.5757  437.209   49.922  441.300   70.526  433.100   70.674   58.207   5.1855   57.589   5.2549 0.6176491 7.382648 
1 1 1   14   28   30 o   26.121   2.0200   82.351   12.363   83.900   17.476   80.800   17.492   26.079   2.8863   25.563   2.9521 0.5165443 4.128631 
1 1 1   14   28   31 o   23.690   1.9209   67.769   10.653   57.200   15.044   78.400   15.087   21.378   3.0680   25.284   2.5624 -3.905657 3.997373 
1 1 1   14   28   32 o   28.104   2.0977   95.784   13.821   92.600   19.497   99.000   19.595   27.219   3.0880   28.202   2.9880 -0.9828472 4.296985 
1 1 1   14   28   33 o   21.742   1.9615   57.406   9.9623   63.300   14.023   51.400   14.156   22.580   2.6825   20.164   3.0699 2.415951 4.076754 
1 1 1   14   28   34 o   31.768   2.2952  123.545   17.102  123.700   24.570  123.400   23.820   31.150   3.3953   31.184   3.2841 -0.3465843E-01 4.723682 
1 1 1   14   28   35 o   29.617   3.2966  112.000   22.665   0.0000   0.0000  112.000   22.665  ?   ?    29.617   3.2966 0.000000 3.296640 
1 1 1   14   28   36 f   13.321   2.6198   22.600   7.9473   0.0000   0.0000   22.600   7.9473  ?   ?    13.321   2.6198 0.000000 2.619773 
1 1 1   14   28   37 o   14.123   2.6044   25.400   8.3657   0.0000   0.0000   25.400   8.3657  ?   ?    14.123   2.6044 0.000000 2.604388 
1 1 1   14   28   38 o   10.644   2.5470   14.600   6.3164   0.0000   0.0000   14.600   6.3164  ?   ?    10.644   2.5470 0.000000 2.547038 
1 1 1   14   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   28   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29    0 o   3.3673   1.9877   1.5000   2.7082   1.5000   2.7082   1.5000   2.7082   3.3673   1.9877   3.3673   1.9877 0.000000 0.000000 
1 1 1   14   29    1 o   73.351   4.1525  648.514   71.629  635.600  101.159  661.500  101.440   71.815   6.0208   73.329   5.9084 -1.513916 8.435577 
1 1 1   14   29    2 o   52.890   3.2311  335.053   40.160  381.100   56.701  288.700   56.890   56.120   4.3117   48.576   5.0326 7.543533 6.627054 
1 1 1   14   29    3 o   67.968   3.7469  555.004   59.904  484.100   84.571  626.400   84.863   62.714   5.7756   71.732   5.0422 -9.017056 7.666888 
1 1 1   14   29    4 o   64.973   3.5183  506.320   53.778  431.500   75.813  582.100   76.297   59.298   5.4761   69.270   4.6921 -9.972183 7.211397 
1 1 1   14   29    5 o   55.751   3.3573  372.678   43.993  402.300   62.082  342.800   62.349   57.554   4.6066   52.949   5.0478 4.604836 6.833806 
1 1 1   14   29    6 o   63.535   3.7805  485.614   56.463  556.900   79.731  413.900   79.970   67.586   5.0319   57.845   5.9389 9.741497 7.783961 
1 1 1   14   29    7 o  112.007   6.5047  1555.49  171.301  1678.50  241.729  1431.40  242.788  113.869   9.0651  104.141   9.9956 9.728073 13.49402 
1 1 1   14   29    8 o   20.854   1.8550   51.953   9.0396   48.100   12.416   56.300   13.186   19.922   2.7096   21.593   2.6412 -1.671515 3.783894 
1 1 1   14   29    9 o   40.355   2.5371  194.504   24.053  252.900   34.045  136.300   33.989   45.904   3.1600   33.318   4.4300 12.58604 5.441529 
1 1 1   14   29   10 o   5.3136   1.7890   3.1189   2.6567   0.1000   3.1663   10.300   4.8834   4.2829   1.8128   9.1328   2.2733 -4.849992 2.907643 
1 1 1   14   29   11 o   37.453   2.4485  167.579   21.535  189.600   30.470  145.600   30.441   39.671   3.2822   34.606   3.7869 5.064369 5.011344 
1 1 1   14   29   12 f   41.180   2.4483  202.517   23.700  174.000   33.186  232.200   33.858   37.858   3.7621   43.914   3.2890 -6.055969 4.997099 
1 1 1   14   29   13 o   75.350   4.3688  690.765   77.399  750.700  109.354  630.600  109.564   77.554   6.0184   70.628   6.6477 6.926407 8.967278 
1 1 1   14   29   14 o   29.249   2.0996  102.208   14.405   88.600   20.303  116.000   20.440   26.989   3.2512   31.031   2.8203 -4.042118 4.304005 
1 1 1   14   29   15 o   98.092   5.6665  1199.87  130.695  1234.10  184.507  1165.40  185.158   96.814   8.1464   93.695   8.4601 3.119133 11.74468 
1 1 1   14   29   16 o   53.352   3.2052  343.444   40.193  342.300   56.699  344.600   56.985   52.670   4.6051   52.844   4.6129 -0.1739044 6.518124 
1 1 1   14   29   17 o   29.071   2.1597  101.221   14.720  107.600   20.704   94.700   20.933   29.792   2.9831   27.863   3.2422 1.928988 4.405713 
1 1 1   14   29   18 o   80.877   4.7035  810.896   89.439  931.300  126.461  690.400  126.510   85.078   6.3403   71.975   7.5563 13.10228 9.863933 
1 1 1   14   29   19 o   30.652   2.1125  112.576   15.197  128.300   21.613   97.200   21.372   32.548   2.8405   28.174   3.2736 4.374615 4.334149 
1 1 1   14   29   20 o   31.288   2.1835  117.469   16.031  127.700   22.706  107.300   22.638   32.405   3.0014   29.590   3.2958 2.814987 4.457662 
1 1 1   14   29   21 f   22.276   1.8825   59.536   9.8093   53.000   13.858   66.100   13.887   20.774   2.9045   23.330   2.5630 -2.556532 3.873642 
1 1 1   14   29   22 o   34.248   2.3527  141.233   18.911  123.500   26.770  158.900   26.720   31.577   3.6579   36.061   3.1701 -4.484333 4.840413 
1 1 1   14   29   23 o   27.489   2.0046   90.730   12.922  103.600   18.361   78.100   18.190   29.197   2.6936   25.185   3.1257 4.011454 4.126174 
1 1 1   14   29   24 o   15.522   1.7595   29.070   6.3352   33.000   8.8817   25.000   9.0391   16.422   2.3580   14.151   2.8042 2.271855 3.663844 
1 1 1   14   29   25 o   40.115   2.5931  194.747   24.432  203.400   34.559  186.100   34.546   40.526   3.6505   38.659   3.8350 1.867241 5.294617 
1 1 1   14   29   26 o   24.239   1.9715   70.688   11.187   76.700   15.771   64.600   15.871   25.057   2.7085   22.879   3.0108 2.177464 4.049799 
1 1 1   14   29   27 o   72.797   4.2524  666.101   72.781  629.400  102.790  703.000  103.066   68.136   6.4661   72.577   6.0697 -4.440567 8.868567 
1 1 1   14   29   28 o   53.713   3.2690  354.990   41.266  361.000   58.410  349.000   58.307   53.039   4.7128   52.072   4.7959 0.9670410 6.723873 
1 1 1   14   29   29 o   36.605   2.4704  162.786   21.228  173.600   29.972  151.900   30.071   37.327   3.4391   34.743   3.7234 2.584194 5.068591 
1 1 1   14   29   30 o   32.054   2.2405  124.568   16.852  119.700   23.756  129.500   23.909   30.953   3.3011   32.269   3.1790 -1.316313 4.582935 
1 1 1   14   29   31 o   39.492   2.5662  190.800   23.801  205.000   33.719  176.700   33.601   40.292   3.5814   37.178   3.8848 3.114052 5.283757 
1 1 1   14   29   32 o   33.378   2.5134  136.659   19.665  109.800   28.083  162.500   27.545   28.925   4.2371   35.957   3.2803 -7.032112 5.358497 
1 1 1   14   29   33 o   24.410   2.0155   72.510   11.513   69.900   16.479   75.000   16.093   23.530   3.0367   24.482   2.8362 -0.9520721 4.155162 
1 1 1   14   29   34 o   36.914   3.7684  176.900   32.388   0.0000   0.0000  176.900   32.388  ?   ?    36.914   3.7684 0.000000 3.768427 
1 1 1   14   29   35 o   10.718   2.8276   14.800   7.2600   0.0000   0.0000   14.800   7.2600  ?   ?    10.718   2.8276 0.000000 2.827566 
1 1 1   14   29   36 o   10.981   2.8086   15.600   7.3115   0.0000   0.0000   15.600   7.3115  ?   ?    10.981   2.8086 0.000000 2.808569 
1 1 1   14   29   37 o   29.877   3.4366  116.200   23.803   0.0000   0.0000  116.200   23.803  ?   ?    29.877   3.4366 0.000000 3.436598 
1 1 1   14   29   38 o   22.979   3.0384   68.500   16.083   0.0000   0.0000   68.500   16.083  ?   ?    22.979   3.0384 0.000000 3.038390 
1 1 1   14   29   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   29   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30    0 o   93.540   7.6871  1087.70  167.156  1087.70  167.156  1087.70  167.156   93.540   7.6871   93.540   7.6871 0.000000 0.000000 
1 1 1   14   30    1 o  122.251   6.9175  1866.25  198.875  1829.50  281.255  1903.00  281.247  117.317   10.256  119.961   10.020 -2.644005 14.33821 
1 1 1   14   30    2 f   12.314   1.5693   18.241   4.4594   8.9000   6.1086   28.900   6.5250   8.6733   2.6968   15.511   1.8158 -6.837836 3.251133 
1 1 1   14   30    3 o   20.580   1.8444   50.604   8.8684   52.100   12.525   49.100   12.559   20.764   2.6123   20.130   2.7110 0.6342964 3.764732 
1 1 1   14   30    4 o   45.322   2.8428  245.777   30.270  257.500   42.671  233.900   42.948   46.115   3.9569   43.866   4.1975 2.248867 5.768522 
1 1 1   14   30    5 o   39.949   2.4962  190.562   23.429  162.500   33.024  219.000   33.245   36.575   3.8831   42.661   3.3264 -6.086483 5.113074 
1 1 1   14   30    6 o   50.412   3.0911  304.650   36.619  315.600   51.555  293.500   52.022   50.951   4.3260   49.050   4.5430 1.901379 6.273190 
1 1 1   14   30    7 o   21.878   1.9063   57.194   9.7499   60.200   13.690   54.100   13.889   22.330   2.6478   21.112   2.8597 1.218548 3.897264 
1 1 1   14   30    8 o   99.821   5.5900  1226.80  131.235  1194.40  185.020  1259.60  186.175   96.246   8.2197   99.040   8.0298 -2.793365 11.49094 
1 1 1   14   30    9 o   33.183   2.3158  131.557   18.032  138.000   25.389  125.000   25.614   33.808   3.2191   32.113   3.4310 1.695538 4.704709 
1 1 1   14   30   10 o   73.730   4.0658  658.630   70.513  792.400   99.859  525.600   99.583   80.194   5.3033   64.474   6.6357 15.72038 8.494516 
1 1 1   14   30   11 o   87.810   4.6523  942.294   96.123  821.600  135.325  1065.20  136.560   80.084   7.2341   92.088   6.3182 -12.00332 9.604776 
1 1 1   14   30   12 o   95.974   5.2828  1138.50  119.264  1037.70  168.164  1240.50  169.169   89.000   8.0900   98.186   7.3498 -9.185471 10.93012 
1 1 1   14   30   13 o   27.133   2.0748   88.050   13.193   98.500   18.613   77.500   18.702   28.565   2.7952   25.209   3.2149 3.356150 4.260141 
1 1 1   14   30   14 o   36.545   2.2628  159.742   19.432  130.900   27.223  189.700   27.745   32.738   3.5797   39.658   2.9846 -6.919937 4.660723 
1 1 1   14   30   15 o   80.702   4.7271  804.430   89.689  874.600  126.677  733.900  127.002   82.521   6.5549   74.868   7.2757 7.653412 9.792954 
1 1 1   14   30   16 f   34.458   2.3257  142.396   18.813  136.400   26.487  148.500   26.726   33.426   3.4032   34.930   3.2786 -1.504436 4.725544 
1 1 1   14   30   17 o   45.287   2.8644  247.527   30.474  266.700   43.011  228.200   43.182   46.572   3.9482   42.885   4.3232 3.686588 5.854749 
1 1 1   14   30   18 f   45.533   2.8140  250.241   30.108  239.700   42.364  261.000   42.799   44.016   4.1240   46.016   3.9779 -1.999779 5.729802 
1 1 1   14   30   19 o   51.410   2.8183  319.156   34.084  391.200   48.490  248.800   47.918   56.518   3.6528   44.526   4.6249 11.99174 5.893475 
1 1 1   14   30   20 o   61.930   3.6656  470.639   53.367  475.200   75.565  466.100   75.382   61.002   5.2984   60.374   5.3427 0.6278877 7.524502 
1 1 1   14   30   21 o   24.590   1.9591   72.602   11.281   68.000   15.958   77.200   15.950   23.548   2.9335   25.171   2.7270 -1.623428 4.005287 
1 1 1   14   30   22 o   23.789   1.9232   67.961   10.711   74.300   15.256   61.800   15.041   24.699   2.6577   22.430   2.9082 2.268387 3.939665 
1 1 1   14   30   23 o   47.499   2.7431  273.259   30.637  316.500   43.551  230.900   43.105   50.643   3.6667   42.855   4.3184 7.787739 5.665081 
1 1 1   14   30   24 f   38.989   2.5649  183.935   23.483  204.000   33.181  163.800   33.238   40.663   3.4895   36.185   3.9544 4.478191 5.273910 
1 1 1   14   30   25 o   43.361   2.7341  228.190   27.852  225.400   39.320  231.000   39.457   42.468   3.9668   43.019   3.9275 -0.5512848 5.582201 
1 1 1   14   30   26 o   37.898   2.5242  173.943   22.460  180.600   31.663  167.200   31.865   38.160   3.5547   36.614   3.7380 1.546192 5.158329 
1 1 1   14   30   27 o   23.134   1.9276   64.473   10.434   68.300   14.713   60.600   14.800   23.602   2.6880   22.147   2.8996 1.454723 3.953871 
1 1 1   14   30   28 o   54.432   3.3430  366.929   42.761  417.000   60.456  316.800   60.491   56.956   4.5326   48.859   5.3296 8.097416 6.996333 
1 1 1   14   30   29 o   59.888   3.6478  449.866   51.341  466.700   72.573  433.000   72.641   59.204   5.2455   56.712   5.4932 2.491970 7.595443 
1 1 1   14   30   30 o   36.493   2.4647  162.560   21.115  166.100   29.818  159.000   29.904   36.285   3.5245   35.431   3.6254 0.8546410 5.056223 
1 1 1   14   30   31 o   19.450   2.1211   46.235   9.5837   23.100   13.815   67.700   13.307   13.299   4.0415   23.462   2.4373 -10.16349 4.719602 
1 1 1   14   30   32 o   15.409   1.8301   28.963   6.5289   22.700   9.4005   34.800   9.0746   13.259   3.0640   16.747   2.3601 -3.488085 3.867585 
1 1 1   14   30   33 o   23.197   2.8365   67.600   15.214   0.0000   0.0000   67.600   15.214  ?   ?    23.197   2.8365 0.000000 2.836475 
1 1 1   14   30   34 o   14.352   2.6951   26.200   8.7984   0.0000   0.0000   26.200   8.7984  ?   ?    14.352   2.6951 0.000000 2.695141 
1 1 1   14   30   35 o   16.612   2.7013   35.000   10.232   0.0000   0.0000   35.000   10.232  ?   ?    16.612   2.7013 0.000000 2.701313 
1 1 1   14   30   36 o   13.981   2.6477   25.000   8.4211   0.0000   0.0000   25.000   8.4211  ?   ?    13.981   2.6477 0.000000 2.647699 
1 1 1   14   30   37 o   29.131   3.3563  111.300   22.665   0.0000   0.0000  111.300   22.665  ?   ?    29.131   3.3563 0.000000 3.356308 
1 1 1   14   30   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   30   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31    0 o   6.6646   2.8639   7.5000   4.6192   7.5000   4.6192   7.5000   4.6192   6.6646   2.8639   6.6646   2.8639 0.000000 0.000000 
1 1 1   14   31    1 o   47.400   2.8729  269.030   32.004  259.100   44.993  279.200   45.532   46.157   4.1732   47.964   4.0582 -1.807079 5.821012 
1 1 1   14   31    2 o   45.527   2.7544  247.991   29.471  221.500   41.555  274.800   41.804   42.644   4.1804   47.675   3.7434 -5.031090 5.611490 
1 1 1   14   31    3 o   9.4337   1.9969   10.960   4.3098   11.800   5.5635   9.7000   6.8151   9.7687   2.4235   9.0699   2.8531 0.6987982 3.743489 
1 1 1   14   31    4 o   21.157   1.8882   53.517   9.3340   55.700   13.149   51.300   13.252   21.462   2.6509   20.553   2.8037 0.9082813 3.858476 
1 1 1   14   31    5 o   56.905   3.1659  388.734   42.373  340.200   59.553  438.500   60.304   52.636   4.8457   60.051   4.2807 -7.414906 6.465728 
1 1 1   14   31    6 o   29.493   2.1264  103.884   14.710   99.300   20.656  108.600   20.953   28.645   3.1034   29.994   2.9985 -1.349058 4.315315 
1 1 1   14   31    7 o   35.383   2.3781  149.703   19.754  153.200   27.924  146.200   27.948   35.576   3.3640   34.723   3.4544 0.8529510 4.821758 
1 1 1   14   31    8 o   10.406   1.9424   13.270   4.5976   12.000   6.1331   14.900   6.9464   9.8547   2.5985   10.958   2.7016 -1.103662 3.748430 
1 1 1   14   31    9 o   76.392   4.2055  710.355   75.570  646.800  106.380  775.100  107.372   71.517   6.3658   78.753   5.8149 -7.235657 8.621892 
1 1 1   14   31   10 o   8.0554   1.9939   8.0164   3.7723   8.8000   4.7646   6.7000   6.1756   8.4622   2.3167   7.8762   2.7258 0.5859771 3.577273 
1 1 1   14   31   11 o   38.412   2.5159  176.877   22.694  204.100   32.078  149.600   32.111   41.048   3.3384   34.909   3.9657 6.138348 5.183815 
1 1 1   14   31   12 o   9.8682   1.9553   11.980   4.3953   16.300   5.9016   6.6000   6.5862   11.501   2.2536   7.9439   2.8103 3.557485 3.602294 
1 1 1   14   31   13 o   46.443   2.7583  259.363   30.114  228.800   42.391  290.500   42.786   43.084   4.2209   48.800   3.7415 -5.715942 5.640415 
1 1 1   14   31   14 o   61.380   3.6524  458.913   52.698  476.900   74.396  440.800   74.658   61.655   5.1573   59.089   5.4108 2.566719 7.474929 
1 1 1   14   31   15 o   18.925   1.8950   43.038   8.3544   46.000   11.477   39.700   12.185   19.436   2.5631   17.935   2.9819 1.501278 3.932058 
1 1 1   14   31   16 o  ?   ?   -8.2515   0.9343  -9.5000   1.0194  -1.7000   2.3352  ?   ?    3.0820   1.4137 0.000000 1.413671 
1 1 1   14   31   17 o   12.699   1.7804   19.554   5.1920   18.300   7.2157   20.900   7.4765   12.125   2.5983   12.989   2.5286 -0.8634605 3.625550 
1 1 1   14   31   18 o   31.555   2.2368  119.681   16.559  132.300   23.390  107.000   23.447   32.947   3.0406   29.472   3.4335 3.475840 4.586341 
1 1 1   14   31   19 o   34.670   2.3705  144.733   19.290  134.000   27.324  155.400   27.238   32.948   3.5690   35.624   3.2746 -2.676037 4.843634 
1 1 1   14   31   20 o   14.901   1.7248   26.782   5.9569   28.100   8.4827   25.500   8.3672   15.113   2.4618   14.358   2.5618 0.7545042 3.552938 
1 1 1   14   31   21 o   32.052   2.2361  123.637   16.818  115.400   23.766  131.900   23.802   30.604   3.3431   32.829   3.1074 -2.225645 4.564198 
1 1 1   14   31   22 o   18.201   1.7774   39.850   7.5416   52.500   10.665   27.200   10.665   20.824   2.2024   14.691   3.1676 6.132497 3.857991 
1 1 1   14   31   23 o   38.756   2.4883  181.462   22.652  161.700   31.964  201.400   32.105   36.025   3.8155   40.455   3.3921 -4.429798 5.105328 
1 1 1   14   31   24 o   36.161   2.3629  157.837   20.066  190.400   28.427  125.500   28.328   39.443   3.0764   31.636   3.8729 7.806894 4.946073 
1 1 1   14   31   25 o   31.180   2.2340  117.288   16.339  127.400   23.064  107.100   23.151   32.207   3.0699   29.376   3.4003 2.830559 4.581054 
1 1 1   14   31   26 o   16.900   1.7542   34.460   6.8984   37.200   9.7383   31.700   9.7734   17.402   2.4367   15.972   2.6868 1.429886 3.627185 
1 1 1   14   31   27 o   50.673   2.9842  315.219   35.550  273.100   50.138  357.800   50.413   45.889   4.6931   53.167   4.0458 -7.278584 6.196274 
1 1 1   14   31   28 o   21.224   1.8762   54.423   9.3062   64.600   13.146   44.200   13.176   22.960   2.4632   18.738   3.0852 4.222425 3.947908 
1 1 1   14   31   29 o   31.008   2.2768  116.959   16.554  100.500   23.490  133.200   23.334   28.105   3.6238   32.731   3.0543 -4.625362 4.739308 
1 1 1   14   31   30 o   19.408   1.8373   45.665   8.3200   41.900   11.790   49.400   11.743   18.263   2.8251   19.964   2.5491 -1.700567 3.805122 
1 1 1   14   31   31 o   40.269   3.9366  210.200   36.954   0.0000   0.0000  210.200   36.954  ?   ?    40.269   3.9366 0.000000 3.936589 
1 1 1   14   31   32 o   13.873   2.5435   24.300   8.0256   0.0000   0.0000   24.300   8.0256  ?   ?    13.873   2.5435 0.000000 2.543518 
1 1 1   14   31   33 f   4.0863   1.7594  -0.2000   3.0743   0.0000   0.0000  -0.2000   3.0743  ?   ?    4.0863   1.7594 0.000000 1.759427 
1 1 1   14   31   34 o   20.470   2.8961   53.200   13.608   0.0000   0.0000   53.200   13.608  ?   ?    20.470   2.8961 0.000000 2.896092 
1 1 1   14   31   35 o   20.543   2.7803   53.500   13.141   0.0000   0.0000   53.500   13.141  ?   ?    20.543   2.7803 0.000000 2.780325 
1 1 1   14   31   36 o   45.719   4.7524  297.100   50.557   0.0000   0.0000  297.100   50.557  ?   ?    45.719   4.7524 0.000000 4.752429 
1 1 1   14   31   37 o   25.499   3.1649   85.800   18.647   0.0000   0.0000   85.800   18.647  ?   ?    25.499   3.1649 0.000000 3.164893 
1 1 1   14   31   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   31   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   32    0 o   7.9782   2.9436   10.100   5.1367   10.100   5.1367   10.100   5.1367   7.9782   2.9436   7.9782   2.9436 0.000000 0.000000 
1 1 1   14   32    1 o   15.078   1.7295   27.316   6.0467   30.600   8.5306   24.000   8.5722   15.865   2.3480   13.949   2.7001 1.915979 3.578228 
1 1 1   14   32    2 f   4.9197   1.8168   2.2398   2.7898   4.7000   3.4145  -2.7000   4.8383   6.3537   2.0219   4.5991   2.0804 1.754589 2.901046 
1 1 1   14   32    3 o   21.454   1.7794   54.983   8.9333   45.300   12.096   66.600   13.249   19.291   2.7318   23.522   2.4199 -4.231020 3.649522 
1 1 1   14   32    4 o   40.441   2.5346  195.825   24.082  178.800   33.885  213.200   34.232   38.302   3.7965   41.952   3.4872 -3.650253 5.155019 
1 1 1   14   32    5 o   10.237   1.9628   12.863   4.5720   14.200   6.2281   11.300   6.7328   10.700   2.5085   9.6252   2.7962 1.075223 3.756519 
1 1 1   14   32    6 o   13.925   1.7656   23.376   5.6752   13.800   7.8610   33.800   8.2019   10.594   3.0041   16.725   2.1246 -6.131449 3.679508 
1 1 1   14   32    7 o   5.3160   1.7883   3.1322   2.6547  -2.4000   3.6033   9.7000   3.9261   3.8782   1.7703   8.8656   1.9301 -4.987397 2.619005 
1 1 1   14   32    8 o   20.443   1.7497   49.972   8.3648   35.400   11.558   66.000   12.122   16.939   2.9993   23.438   2.2165 -6.499342 3.729438 
1 1 1   14   32    9 o   27.741   2.1162   92.138   13.758  106.200   19.396   77.900   19.518   29.648   2.8038   25.214   3.3620 4.434290 4.377678 
1 1 1   14   32   10 o   45.711   2.8871  251.699   31.004  277.200   43.761  226.000   43.931   47.588   3.9294   42.736   4.4170 4.851967 5.911861 
1 1 1   14   32   11 o   45.284   2.5994  246.291   27.679  191.300   38.813  303.200   39.484   39.318   4.2480   49.984   3.3648 -10.66668 5.419154 
1 1 1   14   32   12 o   40.280   2.6349  195.231   24.924  203.900   35.086  186.400   35.412   40.812   3.6804   38.921   3.9057 1.891079 5.366527 
1 1 1   14   32   13 o   49.958   3.0493  301.850   35.800  301.900   50.561  301.800   50.698   49.347   4.3846   49.332   4.3983 0.1528168E-01 6.210449 
1 1 1   14   32   14 o   29.400   2.1002  103.617   14.484   86.100   20.379  121.500   20.591   26.470   3.3342   31.679   2.7808 -5.208164 4.341650 
1 1 1   14   32   15 o   34.713   2.3230  144.779   18.932  185.300   26.831  104.600   26.718   39.104   2.9270   28.955   4.0158 10.14913 4.969276 
1 1 1   14   32   16 o   16.094   1.7096   31.153   6.3976   20.900   8.7907   42.700   9.3285   12.912   2.9480   18.789   2.1408 -5.876968 3.643363 
1 1 1   14   32   17 o   24.289   1.9154   70.763   10.896   64.800   15.300   76.900   15.521   23.005   2.8795   25.152   2.6534 -2.147100 3.915620 
1 1 1   14   32   18 o   32.988   2.2834  130.946   17.678  127.700   24.985  134.200   25.015   32.236   3.3302   33.086   3.2435 -0.8505402 4.648725 
1 1 1   14   32   19 o   15.612   1.7368   29.372   6.2942   35.100   8.9632   23.800   8.8409   16.968   2.2960   13.806   2.8075 3.161794 3.626839 
1 1 1   14   32   20 o   54.282   3.2363  359.741   41.294  394.100   58.491  325.600   58.306   56.015   4.4590   50.538   4.9493 5.477501 6.661733 
1 1 1   14   32   21 o   88.832   5.2736  1013.41  110.126  996.600  155.772  1030.20  155.710   83.955   7.9522   85.655   7.7833 -1.700005 11.12738 
1 1 1   14   32   22 o   30.801   2.1785  114.219   15.742  124.500   22.297  104.000   22.229   31.898   2.9953   29.018   3.3029 2.879278 4.458803 
1 1 1   14   32   23 o   9.3579   1.7777   10.784   3.7847   18.200   5.8049   5.3000   4.9915   12.163   2.0968   7.0124   2.4492 5.150796 3.224188 
1 1 1   14   32   24 o   28.923   2.1238  100.831   14.403   94.600   20.339  107.100   20.399   27.664   3.1708   29.534   2.9650 -1.870342 4.341104 
1 1 1   14   32   25 o   20.263   1.8402   49.494   8.7089   48.100   12.289   50.900   12.344   19.741   2.7074   20.340   2.6318 -0.5988827 3.775802 
1 1 1   14   32   26 o   36.512   2.4652  162.029   21.130  169.000   29.820  155.000   29.945   36.787   3.4739   35.111   3.6658 1.676044 5.050379 
1 1 1   14   32   27 o   21.526   1.8812   55.993   9.4660   60.100   13.398   51.900   13.376   22.078   2.6211   20.415   2.8526 1.662352 3.873927 
1 1 1   14   32   28 o   33.767   2.3349  138.794   18.503  143.500   26.325  134.200   26.012   33.819   3.3401   32.647   3.4253 1.172104 4.784260 
1 1 1   14   32   29 o   4.7528   1.8341   1.8000   2.9158   0.0000   0.0000   1.8000   2.9158  ?   ?    4.7528   1.8341 0.000000 1.834112 
1 1 1   14   32   30 o   46.497   4.4592  286.600   48.359   0.0000   0.0000  286.600   48.359  ?   ?    46.497   4.4592 0.000000 4.459157 
1 1 1   14   32   31 o   18.798   2.6683   44.300   11.512   0.0000   0.0000   44.300   11.512  ?   ?    18.798   2.6683 0.000000 2.668279 
1 1 1   14   32   32 f   10.097   2.5244   13.000   6.0025   0.0000   0.0000   13.000   6.0025  ?   ?    10.097   2.5244 0.000000 2.524355 
1 1 1   14   32   33 o   7.7761   2.3468   7.5000   4.6698   0.0000   0.0000   7.5000   4.6698  ?   ?    7.7761   2.3468 0.000000 2.346807 
1 1 1   14   32   34 o   15.927   2.7624   32.400   10.012   0.0000   0.0000   32.400   10.012  ?   ?    15.927   2.7624 0.000000 2.762394 
1 1 1   14   32   35 o   30.292   3.4393  120.500   24.166   0.0000   0.0000  120.500   24.166  ?   ?    30.292   3.4393 0.000000 3.439328 
1 1 1   14   32   36 o   13.744   2.8992   25.000   9.1133   0.0000   0.0000   25.000   9.1133  ?   ?    13.744   2.8992 0.000000 2.899173 
1 1 1   14   32   37 o   13.689   2.8832   25.200   9.0254   0.0000   0.0000   25.200   9.0254  ?   ?    13.689   2.8832 0.000000 2.883209 
1 1 1   14   32   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   32   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   32   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   32   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   32   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   33    0 o   27.166   3.1028   91.200   19.233   91.200   19.233   91.200   19.233   27.166   3.1028   27.166   3.1028 0.000000 0.000000 
1 1 1   14   33    1 o   25.288   1.9803   76.496   11.731   67.000   16.339   86.600   16.853   23.444   3.0216   26.775   2.7025 -3.330751 4.053891 
1 1 1   14   33    2 o   63.479   3.7624  489.655   56.146  506.000   79.152  473.100   79.656   63.653   5.3146   61.382   5.5558 2.270752 7.688445 
1 1 1   14   33    3 o   67.965   3.9880  563.228   63.723  582.800   89.938  543.500   90.298   68.080   5.6455   65.551   5.8967 2.528809 8.163505 
1 1 1   14   33    4 o   17.848   1.8531   38.254   7.6961   38.300   10.463   38.200   11.360   17.722   2.5757   17.645   2.8214 0.7719612E-01 3.820283 
1 1 1   14   33    5 o  111.509   6.3301  1586.06  165.994  1483.50  234.078  1689.80  235.430  102.773   9.7626  110.909   9.0688 -8.135422 13.32481 
1 1 1   14   33    6 o   18.613   1.7291   41.494   7.5130   33.500   10.406   50.200   10.859   16.505   2.7679   20.388   2.2954 -3.883316 3.595841 
1 1 1   14   33    7 o   16.736   1.8013   33.668   7.0064   34.200   9.7542   33.100   10.070   16.724   2.5507   16.417   2.6910 0.3075294 3.707778 
1 1 1   14   33    8 o   67.100   3.7696  549.094   59.487  474.100   83.901  624.900   84.354   60.942   5.9043   70.691   5.0874 -9.749390 7.793737 
1 1 1   14   33    9 o   33.320   2.2134  133.043   17.316  114.500   24.355  152.000   24.625   30.576   3.4325   35.425   2.9713 -4.848980 4.539907 
1 1 1   14   33   10 o   37.485   2.5774  169.099   22.675  207.400   31.965  130.300   32.172   41.292   3.3060   32.307   4.3257 8.984497 5.444411 
1 1 1   14   33   11 o   44.767   2.8445  241.937   29.913  260.200   42.204  223.500   42.404   45.987   3.9240   42.430   4.2913 3.557594 5.814932 
1 1 1   14   33   12 o   41.705   2.4818  209.090   24.330  173.200   34.035  246.600   34.795   37.442   3.9070   45.008   3.2968 -7.566139 5.112112 
1 1 1   14   33   13 o   14.337   1.8565   24.875   6.1374   21.100   8.3988   29.200   8.9906   12.998   2.8176   15.405   2.5615 -2.406451 3.807922 
1 1 1   14   33   14 o   35.690   2.3329  153.131   19.553  133.500   27.467  173.300   27.841   32.906   3.5932   37.708   3.1557 -4.801769 4.782219 
1 1 1   14   33   15 o   25.896   2.1870   80.740   13.249   99.800   18.528   60.800   18.952   28.655   2.7729   21.998   3.7849 6.656796 4.691986 
1 1 1   14   33   16 o   26.433   2.0534   83.935   12.716   81.400   17.605   86.700   18.388   25.797   2.9427   26.623   2.9758 -0.8262157 4.185034 
1 1 1   14   33   17 o   44.002   2.7118  234.163   28.040  206.400   39.557  262.200   39.752   40.640   4.1817   46.123   3.6805 -5.483418 5.570726 
1 1 1   14   33   18 o   39.172   2.5451  185.286   23.414  177.800   33.082  192.800   33.144   37.884   3.7472   39.538   3.5891 -1.653358 5.188778 
1 1 1   14   33   19 o   68.459   4.0136  581.690   64.599  600.700   91.503  562.800   91.211   67.861   5.7648   65.457   5.9666 2.403816 8.296632 
1 1 1   14   33   20 o   34.082   2.3307  140.038   18.645  135.700   26.334  144.400   26.404   33.162   3.4116   34.262   3.3045 -1.100842 4.749570 
1 1 1   14   33   21 o   46.594   2.9082  264.156   31.838  222.600   45.029  305.700   45.023   41.811   4.6390   49.583   3.8761 -7.772900 6.045229 
1 1 1   14   33   22 o   61.383   3.6752  466.248   53.027  455.200   74.985  477.300   74.997   59.083   5.4356   60.658   5.2888 -1.575497 7.584040 
1 1 1   14   33   23 o   31.961   2.2614  123.412   16.957  119.000   24.014  127.800   23.947   30.974   3.3359   32.172   3.1944 -1.198240 4.618729 
1 1 1   14   33   24 o   18.411   1.8032   40.905   7.7387   40.400   10.994   41.400   10.895   18.073   2.6554   18.318   2.5909 -0.2457542 3.710003 
1 1 1   14   33   25 o   23.870   1.9654   68.815   10.980   73.200   15.502   64.400   15.553   24.374   2.7409   22.764   2.9637 1.610163 4.036842 
1 1 1   14   33   26 o   43.357   2.7883  230.732   28.396  232.500   40.363  229.000   39.956   42.640   4.0577   42.324   4.0473 0.3161316 5.731073 
1 1 1   14   33   27 o   22.565   2.8120   63.300   14.658   0.0000   0.0000   63.300   14.658  ?   ?    22.565   2.8120 0.000000 2.811982 
1 1 1   14   33   28 o   4.2947   1.8001   0.4000   3.0728   0.0000   0.0000   0.4000   3.0728  ?   ?    4.2947   1.8001 0.000000 1.800080 
1 1 1   14   33   29 o   13.821   2.5724   24.100   8.0867   0.0000   0.0000   24.100   8.0867  ?   ?    13.821   2.5724 0.000000 2.572446 
1 1 1   14   33   30 o   31.132   3.3095  123.200   23.957   0.0000   0.0000  123.200   23.957  ?   ?    31.132   3.3095 0.000000 3.309517 
1 1 1   14   33   31 f   13.114   2.5652   21.800   7.6590   0.0000   0.0000   21.800   7.6590  ?   ?    13.114   2.5652 0.000000 2.565199 
1 1 1   14   33   32 o   15.434   2.6583   30.200   9.3386   0.0000   0.0000   30.200   9.3386  ?   ?    15.434   2.6583 0.000000 2.658256 
1 1 1   14   33   33 o   31.041   3.3350  124.200   24.062   0.0000   0.0000  124.200   24.062  ?   ?    31.041   3.3350 0.000000 3.335039 
1 1 1   14   33   34 o   29.131   3.3473  110.900   22.607   0.0000   0.0000  110.900   22.607  ?   ?    29.131   3.3473 0.000000 3.347284 
1 1 1   14   33   35 o   28.928   3.3584  111.400   22.515   0.0000   0.0000  111.400   22.515  ?   ?    28.928   3.3584 0.000000 3.358422 
1 1 1   14   33   36 o   17.301   2.8157   39.600   11.108   0.0000   0.0000   39.600   11.108  ?   ?    17.301   2.8157 0.000000 2.815740 
1 1 1   14   33   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   33   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   33   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   33   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   33   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   34    1 o   4.7997   1.8961   1.5043   3.1771   1.0000   5.2260   1.8000   4.0015   5.7065   2.3659   5.3476   2.1231 0.3588634 3.178873 
1 1 1   14   34    2 o   34.908   2.3076  146.121   18.914  135.100   26.480  157.600   27.026   33.252   3.4213   36.007   3.2123 -2.755547 4.692939 
1 1 1   14   34    3 o   53.003   3.1921  340.078   39.766  336.800   56.053  343.400   56.424   52.063   4.6070   52.583   4.5902 -0.5204163 6.503384 
1 1 1   14   34    4 o   48.067   2.6827  277.841   30.328  217.400   42.492  340.600   43.299   41.861   4.3628   52.915   3.4848 -11.05419 5.583663 
1 1 1   14   34    5 o   31.054   2.0800  115.437   15.164   91.800   21.243  140.000   21.655   27.358   3.3588   34.058   2.7152 -6.699282 4.318969 
1 1 1   14   34    6 o   33.876   2.2427  137.601   17.839  114.400   25.121  161.200   25.336   30.511   3.5533   36.479   2.9670 -5.967613 4.629166 
1 1 1   14   34    7 o   34.806   2.3801  145.530   19.445  149.000   27.382  142.000   27.618   34.929   3.3614   34.049   3.4840 0.8794479 4.841219 
1 1 1   14   34    8 o   30.182   2.2269  109.375   15.759  116.000   22.083  102.500   22.496   30.863   3.0709   28.906   3.3584 1.956930 4.550764 
1 1 1   14   34    9 o   15.630   1.8458   29.476   6.6811   29.700   8.9961   29.200   9.9769   15.548   2.5378   15.342   2.8592 0.2066240 3.822981 
1 1 1   14   34   10 o   55.365   3.3374  373.215   43.428  375.600   61.232  370.800   61.604   54.682   4.7904   54.284   4.8572 0.3978233 6.822044 
1 1 1   14   34   11 o   64.535   3.8938  512.341   59.061  576.300   83.400  448.000   83.649   67.345   5.2870   58.627   6.1330 8.717545 8.097287 
1 1 1   14   34   12 o   37.551   2.4919  169.896   21.970  169.500   30.922  170.300   31.221   37.120   3.5718   37.197   3.5995 -0.7667160E-01 5.070919 
1 1 1   14   34   13 o   16.844   1.9411   34.271   7.5792   45.900   10.496   21.600   10.956   19.442   2.3328   13.083   3.4841 6.359042 4.192985 
1 1 1   14   34   14 o   65.286   3.8428  525.172   58.981  512.900   83.151  537.600   83.675   63.028   5.6468   64.642   5.5351 -1.614449 7.907235 
1 1 1   14   34   15 o   7.7435   1.9305   7.4327   3.5177   11.900   4.8798   2.6000   5.0755   9.7879   2.1684   6.1033   2.4012 3.684548 3.235420 
1 1 1   14   34   16 o   36.365   2.4439  159.480   20.864  176.900   29.481  142.000   29.531   37.982   3.3204   33.820   3.7616 4.162552 5.017381 
1 1 1   14   34   17 o   51.542   3.1100  323.645   37.675  358.100   53.323  289.300   53.237   53.523   4.2541   47.725   4.7885 5.797901 6.405201 
1 1 1   14   34   18 o   28.245   2.0938   95.937   13.866   83.700   19.559  108.300   19.659   26.032   3.2528   29.806   2.8270 -3.773909 4.309627 
1 1 1   14   34   19 o   15.171   1.8537   27.861   6.5027   15.300   9.3153   39.800   9.0817   11.107   3.3061   18.105   2.1674 -6.997410 3.953210 
1 1 1   14   34   20 o   15.940   1.8504   30.723   6.8352   40.700   9.5404   20.200   9.7975   18.286   2.2574   12.631   3.2621 5.655117 3.967027 
1 1 1   14   34   21 o   40.653   2.5945  200.448   24.777  216.500   35.097  184.500   34.983   41.760   3.5941   38.353   3.9178 3.407368 5.316702 
1 1 1   14   34   22 o   39.529   2.5601  189.796   23.768  164.800   33.577  214.900   33.649   36.097   4.0067   41.607   3.4561 -5.509693 5.291368 
1 1 1   14   34   23 o   37.386   2.5140  169.934   22.065  162.900   31.280  176.900   31.131   35.985   3.7357   37.624   3.5458 -1.639050 5.150517 
1 1 1   14   34   24 o   47.176   2.9542  273.825   32.744  279.400   46.412  268.300   46.203   46.667   4.2587   45.657   4.3375 1.009224 6.078699 
1 1 1   14   34   25 o   29.400   3.1518  107.800   21.539   0.0000   0.0000  107.800   21.539  ?   ?    29.400   3.1518 0.000000 3.151784 
1 1 1   14   34   26 f   11.958   2.4612   18.000   6.7179   0.0000   0.0000   18.000   6.7179  ?   ?    11.958   2.4612 0.000000 2.461209 
1 1 1   14   34   27 o   29.891   3.2052  112.500   22.270   0.0000   0.0000  112.500   22.270  ?   ?    29.891   3.2052 0.000000 3.205197 
1 1 1   14   34   28 o   33.802   3.4495  145.500   27.148   0.0000   0.0000  145.500   27.148  ?   ?    33.802   3.4495 0.000000 3.449511 
1 1 1   14   34   29 o   15.622   2.6020   30.700   9.2610   0.0000   0.0000   30.700   9.2610  ?   ?    15.622   2.6020 0.000000 2.601991 
1 1 1   14   34   30 o   10.676   2.4680   14.500   6.0974   0.0000   0.0000   14.500   6.0974  ?   ?    10.676   2.4680 0.000000 2.468049 
1 1 1   14   34   31 o   9.0466   2.4332   10.400   5.3112   0.0000   0.0000   10.400   5.3112  ?   ?    9.0466   2.4332 0.000000 2.433219 
1 1 1   14   34   32 o   8.6588   2.4904   9.5000   5.3647   0.0000   0.0000   9.5000   5.3647  ?   ?    8.6588   2.4904 0.000000 2.490410 
1 1 1   14   34   33 o   25.318   3.0978   82.900   18.134   0.0000   0.0000   82.900   18.134  ?   ?    25.318   3.0978 0.000000 3.097844 
1 1 1   14   34   34 o   27.368   3.3652   99.900   21.289   0.0000   0.0000   99.900   21.289  ?   ?    27.368   3.3652 0.000000 3.365201 
1 1 1   14   34   35 o   6.7885   2.5250   4.9000   5.4075   0.0000   0.0000   4.9000   5.4075  ?   ?    6.7885   2.5250 0.000000 2.524996 
1 1 1   14   34   36 o   4.9502   1.9232   2.1000   3.2225   0.0000   0.0000   2.1000   3.2225  ?   ?    4.9502   1.9232 0.000000 1.923151 
1 1 1   14   34   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   34   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   34   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   34   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   35    0 o   8.5332   3.2164   11.700   6.0665   11.700   6.0665   11.700   6.0665   8.5332   3.2164   8.5332   3.2164 0.000000 0.000000 
1 1 1   14   35    1 o   20.718   1.8717   51.504   9.0577   42.100   12.745   61.100   12.875   18.458   3.0292   22.458   2.4685 -3.999582 3.907627 
1 1 1   14   35    2 o   19.128   1.9832   44.059   8.8279   40.100   12.421   48.100   12.549   18.004   3.0293   19.827   2.7548 -1.823040 4.094570 
1 1 1   14   35    3 o   31.681   2.1922  120.427   16.299  136.600   23.289  104.900   22.820   33.537   2.9716   29.234   3.3672 4.302231 4.490954 
1 1 1   14   35    4 o   32.813   2.2912  129.356   17.642  127.600   24.995  131.100   24.904   32.284   3.3263   32.749   3.2638 -0.4652328 4.660138 
1 1 1   14   35    5 o   28.954   2.1899  100.699   14.862  103.300   20.642   97.900   21.416   29.100   3.0492   28.253   3.2705 0.8472538 4.471482 
1 1 1   14   35    6 o   67.194   3.6088  551.742   57.051  461.400   80.198  644.300   81.176   59.903   5.7399   71.695   4.8229 -11.79204 7.497160 
1 1 1   14   35    7 o   33.107   2.2594  131.666   17.558  116.000   24.688  147.700   24.976   30.705   3.4656   34.832   3.0679 -4.126671 4.628448 
1 1 1   14   35    8 o   8.2075   2.0619   8.3523   3.9911   12.900   5.5832   3.6000   5.7073   10.180   2.3673   6.6776   2.5691 3.502382 3.493502 
1 1 1   14   35    9 o   23.703   1.9817   67.474   10.990   71.600   15.498   63.300   15.587   24.237   2.7569   22.711   2.9784 1.526888 4.058496 
1 1 1   14   35   10 o   32.099   2.2901  123.940   17.245  127.400   24.250  120.400   24.527   32.259   3.2268   31.300   3.3717 0.9581509 4.666951 
1 1 1   14   35   11 o   58.372   3.5005  416.892   48.026  496.600   67.923  337.200   67.916   62.944   4.6017   50.992   5.7402 11.95240 7.357043 
1 1 1   14   35   12 o   12.420   1.9288   18.820   5.4735   17.000   7.3404   21.100   8.2146   11.655   2.7172   12.997   2.7617 -1.341893 3.874331 
1 1 1   14   35   13 o   10.971   1.8738   14.742   4.6801   8.3000   6.7225   20.800   6.5194   8.5162   2.8459   13.013   2.2000 -4.497210 3.597095 
1 1 1   14   35   14 o   33.686   2.3227  136.665   18.363  149.900   25.954  123.400   25.984   34.998   3.1751   31.589   3.5447 3.409197 4.758739 
1 1 1   14   35   15 o   24.531   1.8414   72.138   10.589   54.500   14.674   91.300   15.295   21.004   3.0476   27.486   2.3801 -6.481323 3.866876 
1 1 1   14   35   16 o   67.377   3.9808  563.086   63.054  587.700   89.196  538.500   89.147   67.216   5.6727   64.018   5.9658 3.197632 8.232271 
1 1 1   14   35   17 o   10.120   1.8226   12.580   4.1954   7.3000   6.0093   17.600   5.8598   8.0102   2.6907   11.948   2.1562 -3.938086 3.448036 
1 1 1   14   35   18 o   19.409   1.8030   45.313   8.1692   47.600   11.789   43.200   11.330   19.709   2.5962   18.752   2.6312 0.9573460 3.696472 
1 1 1   14   35   19 o   26.386   2.0435   83.850   12.633   76.500   17.866   91.200   17.866   24.873   3.1097   27.294   2.8123 -2.420313 4.192821 
1 1 1   14   35   20 o   59.019   3.5447  431.685   49.172  444.100   69.581  419.300   69.497   58.431   5.0939   56.597   5.2603 1.833942 7.322476 
1 1 1   14   35   21 o   21.343   1.9107   54.966   9.5278   48.700   13.546   61.100   13.403   19.767   2.9961   22.320   2.5913 -2.553038 3.961283 
1 1 1   14   35   22 o   20.585   2.0611   51.411   9.8842   40.600   14.498   60.800   13.511   17.790   3.5754   22.230   2.6244 -4.440424 4.435145 
1 1 1   14   35   23 o   27.210   3.0320   92.000   19.150   0.0000   0.0000   92.000   19.150  ?   ?    27.210   3.0320 0.000000 3.032045 
1 1 1   14   35   24 o   10.556   2.5797   14.100   6.3760   0.0000   0.0000   14.100   6.3760  ?   ?    10.556   2.5797 0.000000 2.579692 
1 1 1   14   35   25 o   33.955   3.4398  145.800   27.199   0.0000   0.0000  145.800   27.199  ?   ?    33.955   3.4398 0.000000 3.439788 
1 1 1   14   35   26 o   5.7411   2.1397   3.1000   3.8868   0.0000   0.0000   3.1000   3.8868  ?   ?    5.7411   2.1397 0.000000 2.139677 
1 1 1   14   35   27 o   10.822   2.5524   14.900   6.4170   0.0000   0.0000   14.900   6.4170  ?   ?    10.822   2.5524 0.000000 2.552439 
1 1 1   14   35   28 o   6.7148   2.2521   5.2000   4.2101   0.0000   0.0000   5.2000   4.2101  ?   ?    6.7148   2.2521 0.000000 2.252128 
1 1 1   14   35   29 o   10.360   2.5463   13.700   6.1849   0.0000   0.0000   13.700   6.1849  ?   ?    10.360   2.5463 0.000000 2.546313 
1 1 1   14   35   30 o   9.0893   2.4960   10.500   5.5209   0.0000   0.0000   10.500   5.5209  ?   ?    9.0893   2.4960 0.000000 2.496006 
1 1 1   14   35   31 o   31.454   3.4947  128.900   25.518   0.0000   0.0000  128.900   25.518  ?   ?    31.454   3.4947 0.000000 3.494686 
1 1 1   14   35   32 o   8.2639   2.8210   8.2000   6.6066   0.0000   0.0000   8.2000   6.6066  ?   ?    8.2639   2.8210 0.000000 2.820990 
1 1 1   14   35   33 o   3.3398   1.6073  -5.4000   3.7359   0.0000   0.0000  -5.4000   3.7359  ?   ?    3.3398   1.6073 0.000000 1.607316 
1 1 1   14   35   34 o   8.5264   2.7332   9.4000   6.2309   0.0000   0.0000   9.4000   6.2309  ?   ?    8.5264   2.7332 0.000000 2.733218 
1 1 1   14   35   35 o   8.7860   2.6846   10.300   6.0837   0.0000   0.0000   10.300   6.0837  ?   ?    8.7860   2.6846 0.000000 2.684628 
1 1 1   14   35   36 o   11.350   2.8141   17.800   7.5048   0.0000   0.0000   17.800   7.5048  ?   ?    11.350   2.8141 0.000000 2.814135 
1 1 1   14   35   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   35   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   35   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   36    0 o   14.944   3.1097   29.800   9.6760   29.800   9.6760   29.800   9.6760   14.944   3.1097   14.944   3.1097 0.000000 0.000000 
1 1 1   14   36    1 o   38.390   3.6917  181.600   33.054   0.0000   0.0000  181.600   33.054  ?   ?    38.390   3.6917 0.000000 3.691733 
1 1 1   14   36    2 o   40.239   2.5033  194.982   23.668  237.100   33.682  153.900   33.265   44.101   3.2575   35.149   4.0841 8.952164 5.224037 
1 1 1   14   36    3 o   20.537   1.8823   50.662   9.0265   67.600   12.780   33.800   12.751   23.656   2.3177   16.391   3.4056 7.264540 4.119423 
1 1 1   14   36    4 o   20.081   1.8702   48.448   8.7662   36.800   12.318   60.400   12.478   17.183   3.1521   22.327   2.4046 -5.144672 3.964585 
1 1 1   14   36    5 o   21.486   1.8890   55.429   9.4868   46.000   13.332   65.100   13.502   19.293   3.0259   23.163   2.5087 -3.869141 3.930630 
1 1 1   14   36    6 o   44.414   2.6204  237.895   27.361  202.000   38.480  274.600   38.911   40.299   4.1008   47.348   3.5051 -7.049412 5.394716 
1 1 1   14   36    7 o   35.027   2.1860  147.244   17.991  109.700   25.133  186.700   25.764   29.760   3.6531   39.266   2.7970 -9.506176 4.600919 
1 1 1   14   36    8 o   23.380   1.9646   65.655   10.746   73.000   15.140   58.200   15.254   24.498   2.6600   21.735   3.0566 2.762989 4.051918 
1 1 1   14   36    9 o   18.283   1.8942   40.267   8.0594   41.000   10.950   39.400   11.905   18.293   2.6089   17.844   2.9268 0.4486618 3.920796 
1 1 1   14   36   10 o   58.344   3.5506  417.338   48.685  434.800   68.583  399.600   69.123   58.508   5.0125   55.842   5.3057 2.665901 7.299001 
1 1 1   14   36   11 o   37.922   2.5316  173.586   22.539  175.100   31.513  172.000   32.250   37.681   3.5849   37.287   3.7122 0.3943710 5.160595 
1 1 1   14   36   12 o   35.584   2.4042  152.612   20.083  159.900   28.378  145.300   28.424   36.081   3.3698   34.303   3.5610 1.777695 4.902627 
1 1 1   14   36   13 f   42.819   2.6063  221.529   26.227  187.000   36.895  256.800   37.290   38.673   4.1028   45.717   3.4804 -7.043224 5.380138 
1 1 1   14   36   14 o   17.317   1.7612   36.094   7.1018   28.700   9.6322   44.900   10.512   15.191   2.7879   19.203   2.3685 -4.011501 3.658172 
1 1 1   14   36   15 o   34.979   2.4154  147.688   19.828  136.000   28.149  159.200   27.935   33.091   3.6638   35.980   3.3256 -2.888844 4.948042 
1 1 1   14   36   16 o   29.497   2.1648  104.809   14.973  101.500   21.203  108.100   21.146   28.697   3.1825   29.670   3.0623 -0.9730110 4.416561 
1 1 1   14   36   17 o   35.301   2.3319  150.488   19.329  186.800   27.397  114.500   27.274   39.078   2.9917   30.145   3.9245 8.932734 4.934792 
1 1 1   14   36   18 o   29.421   2.1562  104.464   14.875  114.000   21.077   95.000   20.997   30.455   2.9685   27.656   3.2790 2.798807 4.423149 
1 1 1   14   36   19 o   51.317   2.9569  322.332   35.679  265.000   50.212  380.800   50.706   45.250   4.7711   55.066   3.9252 -9.816483 6.178288 
1 1 1   14   36   20 o   10.724   1.8908   14.169   4.6131   8.1000   6.6194   19.900   6.4324   8.3840   2.8239   12.677   2.2303 -4.292809 3.598416 
1 1 1   14   36   21 f   37.607   3.6876  178.300   32.326   0.0000   0.0000  178.300   32.326  ?   ?    37.607   3.6876 0.000000 3.687558 
1 1 1   14   36   22 o   20.289   2.6847   51.000   12.546   0.0000   0.0000   51.000   12.546  ?   ?    20.289   2.6847 0.000000 2.684667 
1 1 1   14   36   23 o   16.098   2.6312   32.400   9.6560   0.0000   0.0000   32.400   9.6560  ?   ?    16.098   2.6312 0.000000 2.631163 
1 1 1   14   36   24 o   37.177   3.6713  176.300   31.809   0.0000   0.0000  176.300   31.809  ?   ?    37.177   3.6713 0.000000 3.671321 
1 1 1   14   36   25 o   21.956   2.8161   60.300   14.264   0.0000   0.0000   60.300   14.264  ?   ?    21.956   2.8161 0.000000 2.816135 
1 1 1   14   36   26 o   21.918   2.7860   60.100   14.093   0.0000   0.0000   60.100   14.093  ?   ?    21.918   2.7860 0.000000 2.785967 
1 1 1   14   36   27 o   33.478   3.4534  143.000   26.908   0.0000   0.0000  143.000   26.908  ?   ?    33.478   3.4534 0.000000 3.453372 
1 1 1   14   36   28 f   20.225   2.7314   51.400   12.711   0.0000   0.0000   51.400   12.711  ?   ?    20.225   2.7314 0.000000 2.731357 
1 1 1   14   36   29 o   12.852   2.5377   21.000   7.4281   0.0000   0.0000   21.000   7.4281  ?   ?    12.852   2.5377 0.000000 2.537709 
1 1 1   14   36   30 o   18.800   2.8478   45.200   12.246   0.0000   0.0000   45.200   12.246  ?   ?    18.800   2.8478 0.000000 2.847797 
1 1 1   14   36   31 o   8.5128   2.7127   9.1000   6.1446   0.0000   0.0000   9.1000   6.1446  ?   ?    8.5128   2.7127 0.000000 2.712684 
1 1 1   14   36   32 o   32.142   3.6167  140.700   26.974   0.0000   0.0000  140.700   26.974  ?   ?    32.142   3.6167 0.000000 3.616745 
1 1 1   14   36   33 o   10.486   2.9079   14.900   7.4516   0.0000   0.0000   14.900   7.4516  ?   ?    10.486   2.9079 0.000000 2.907861 
1 1 1   14   36   34 o   26.758   3.4179  100.200   21.103   0.0000   0.0000  100.200   21.103  ?   ?    26.758   3.4179 0.000000 3.417929 
1 1 1   14   36   35 o   7.3514   2.6883   6.4000   6.0854   0.0000   0.0000   6.4000   6.0854  ?   ?    7.3514   2.6883 0.000000 2.688310 
1 1 1   14   36   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   36   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   36   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   37    0 o   60.961   5.3146  464.700   75.167  464.700   75.167  464.700   75.167   60.961   5.3146   60.961   5.3146 0.000000 0.000000 
1 1 1   14   37    1 o   24.407   2.0018   71.547   11.435   73.700   16.379   69.500   15.973   24.557   2.8791   23.832   2.8980 0.7246418 4.085089 
1 1 1   14   37    2 o   21.854   1.9955   57.449   10.184   56.200   14.706   58.600   14.117   21.369   2.9968   21.884   2.7958 -0.5151310 4.098426 
1 1 1   14   37    3 f   47.534   2.9953  274.234   33.449  261.900   47.368  286.500   47.239   45.713   4.4444   47.965   4.2134 -2.252251 6.124140 
1 1 1   14   37    4 o   19.049   1.8445   43.634   8.1932   52.000   12.031   36.400   11.188   20.664   2.5177   17.153   2.8633 3.511499 3.812794 
1 1 1   14   37    5 o   30.082   2.2273  108.870   15.709  102.900   22.254  114.800   22.178   28.915   3.3194   30.633   3.1091 -1.717724 4.548110 
1 1 1   14   37    6 o   25.717   2.0521   79.477   12.358   77.100   17.223   82.000   17.742   25.090   2.9643   25.887   2.9554 -0.7974586 4.185855 
1 1 1   14   37    7 o   6.6981   1.8778   5.4972   3.0898   5.6000   4.4313   5.4000   4.3106   6.9948   2.3095   6.8797   2.2781 0.1151280 3.243973 
1 1 1   14   37    8 o   26.116   2.0444   81.951   12.507   79.400   17.365   84.700   18.029   25.469   2.9414   26.312   2.9526 -0.8430157 4.167667 
1 1 1   14   37    9 o   44.761   2.7044  242.316   28.451  213.300   39.909  272.300   40.570   41.327   4.1455   46.994   3.6855 -5.667545 5.546860 
1 1 1   14   37   10 o   23.661   1.8443   67.146   10.223   54.600   13.950   81.700   15.025   21.071   2.8791   25.961   2.4812 -4.890272 3.800681 
1 1 1   14   37   11 o   45.719   2.8547  253.621   30.664  268.300   43.409  239.000   43.323   46.441   3.9973   43.668   4.2555 2.773571 5.838466 
1 1 1   14   37   12 o   31.545   2.2045  119.758   16.318  105.800   22.922  134.100   23.236   29.263   3.3793   33.131   3.0026 -3.867687 4.520596 
1 1 1   14   37   13 o  ?   ?  -10.3001   1.0174 -11.9000   1.1917  -6.0000   1.9538  ?   ?    1.9137   0.9624 0.000000 0.9624394 
1 1 1   14   37   14 o   6.7624   1.9667   5.5764   3.3290   4.7000   4.9502   6.3000   4.4981   6.7726   2.4320   7.2999   2.3204 -0.5272150 3.361411 
1 1 1   14   37   15 o   55.341   3.3574  377.093   43.667  382.400   61.797  371.800   61.712   54.545   4.8485   53.715   4.9200 0.8296432 6.907567 
1 1 1   14   37   16 f   8.5383   1.8746   9.0517   3.6760   10.300   4.9380   7.5000   5.5055   9.0789   2.3005   7.9693   2.5707 1.109607 3.449773 
1 1 1   14   37   17 o   62.232   3.7520  483.655   54.880  481.900   77.718  485.400   77.505   60.257   5.5234   60.526   5.4824 -0.2682686 7.782344 
1 1 1   14   37   18 o   28.603   2.1389   98.939   14.342  100.100   20.382   97.800   20.186   28.415   3.0873   28.080   3.0957 0.3352890 4.372048 
1 1 1   14   37   19 o   26.605   2.9722   87.700   18.353   0.0000   0.0000   87.700   18.353  ?   ?    26.605   2.9722 0.000000 2.972159 
1 1 1   14   37   20 o   17.028   2.5895   36.000   10.084   0.0000   0.0000   36.000   10.084  ?   ?    17.028   2.5895 0.000000 2.589451 
1 1 1   14   37   21 o   49.439   4.6324  321.200   53.450   0.0000   0.0000  321.200   53.450  ?   ?    49.439   4.6324 0.000000 4.632406 
1 1 1   14   37   22 o   26.467   2.9957   87.500   18.393   0.0000   0.0000   87.500   18.393  ?   ?    26.467   2.9957 0.000000 2.995695 
1 1 1   14   37   23 o   29.496   3.1889  109.500   21.857   0.0000   0.0000  109.500   21.857  ?   ?    29.496   3.1889 0.000000 3.188886 
1 1 1   14   37   24 o   10.949   2.4902   15.200   6.2928   0.0000   0.0000   15.200   6.2928  ?   ?    10.949   2.4902 0.000000 2.490173 
1 1 1   14   37   25 o   6.5659   2.3354   4.6000   4.5543   0.0000   0.0000   4.6000   4.5543  ?   ?    6.5659   2.3354 0.000000 2.335408 
1 1 1   14   37   26 o   36.807   3.6843  174.700   31.592   0.0000   0.0000  174.700   31.592  ?   ?    36.807   3.6843 0.000000 3.684271 
1 1 1   14   37   27 o   8.7993   2.4039   9.8000   5.1366   0.0000   0.0000   9.8000   5.1366  ?   ?    8.7993   2.4039 0.000000 2.403918 
1 1 1   14   37   28 o   14.657   2.5389   27.200   8.4691   0.0000   0.0000   27.200   8.4691  ?   ?    14.657   2.5389 0.000000 2.538928 
1 1 1   14   37   29 o   16.527   2.6980   34.900   10.166   0.0000   0.0000   34.900   10.166  ?   ?    16.527   2.6980 0.000000 2.698001 
1 1 1   14   37   30 o  ?   ?  -10.5000   1.9668   0.0000   0.0000 -10.5000   1.9668  ?   ?   ?   ?  0.000000      ? 
1 1 1   14   37   31 o   12.416   2.7172   20.400   7.7452   0.0000   0.0000   20.400   7.7452  ?   ?    12.416   2.7172 0.000000 2.717191 
1 1 1   14   37   32 o   14.934   2.7946   29.800   9.4931   0.0000   0.0000   29.800   9.4931  ?   ?    14.934   2.7946 0.000000 2.794637 
1 1 1   14   37   33 o   27.893   3.4281  109.100   22.104   0.0000   0.0000  109.100   22.104  ?   ?    27.893   3.4281 0.000000 3.428092 
1 1 1   14   37   34 o   10.304   2.6398   14.500   6.4520   0.0000   0.0000   14.500   6.4520  ?   ?    10.304   2.6398 0.000000 2.639792 
1 1 1   14   37   35 f   4.7153   2.0919  -0.9000   4.6413   0.0000   0.0000  -0.9000   4.6413  ?   ?    4.7153   2.0919 0.000000 2.091941 
1 1 1   14   37   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   37   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   38    0 o   3.2314   2.1710  -1.9000   4.6922  -1.9000   4.6922  -1.9000   4.6922   3.2314   2.1710   3.2314   2.1710 0.000000 0.000000 
1 1 1   14   38    1 o   53.595   3.2652  350.511   41.127  360.000   58.284  341.100   58.042   53.436   4.6658   51.919   4.7882 1.516834 6.685580 
1 1 1   14   38    2 o   36.398   3.5371  163.300   30.017   0.0000   0.0000  163.300   30.017  ?   ?    36.398   3.5371 0.000000 3.537147 
1 1 1   14   38    3 o   33.546   2.3301  135.538   18.343  122.100   25.788  149.300   26.098   31.427   3.5364   34.921   3.2005 -3.493927 4.769607 
1 1 1   14   38    4 o   6.4411   2.0196   4.9069   3.4179   4.5000   4.3057   5.6000   5.6198   6.4980   2.2745   7.3105   2.5949 -0.8124561 3.450618 
1 1 1   14   38    5 o   2.3528   1.1396  -3.2585   1.9534  -3.2000   3.0322  -3.3000   2.5540   3.2785   1.5397   2.8762   1.3691 0.4023519 2.060402 
1 1 1   14   38    6 o   27.829   2.3309   93.494   15.177  131.100   21.205   54.000   21.731   32.855   2.7588   20.401   4.6184 12.45377 5.379643 
1 1 1   14   38    7 o   16.865   1.9885   34.423   7.7671   33.500   11.128   35.300   10.846   16.396   2.9841   16.885   2.8198 -0.4886494 4.105618 
1 1 1   14   38    8 o   13.048   1.8123   20.673   5.4328   30.100   8.1401   13.100   7.2955   15.694   2.2618   10.263   2.8884 5.431273 3.668590 
1 1 1   14   38    9 o   15.081   1.9843   27.627   6.8947   19.900   9.8000   35.200   9.7019   12.547   3.2733   16.933   2.5018 -4.385583 4.119887 
1 1 1   14   38   10 o   40.543   2.5927  198.978   24.691  180.600   34.805  217.600   35.034   38.012   3.9345   41.954   3.5704 -3.941753 5.312986 
1 1 1   14   38   11 o   20.083   1.8409   48.544   8.6328   34.700   11.798   64.500   12.666   16.630   3.1189   23.047   2.3606 -6.417627 3.911551 
1 1 1   14   38   12 o   8.0776   1.9878   8.1161   3.7659   3.7000   4.7983   15.200   6.0772   6.3520   2.3754   11.031   2.4013 -4.678566 3.377659 
1 1 1   14   38   13 o   28.064   2.1038   94.980   13.840   91.300   19.519   98.700   19.628   27.185   3.0959   28.322   2.9795 -1.137011 4.296727 
1 1 1   14   38   14 o   14.585   1.7586   25.761   5.9345   26.700   8.3444   24.800   8.4417   14.677   2.4971   14.099   2.6325 0.5782976 3.628416 
1 1 1   14   38   15 o   6.4585   1.7972   5.1338   2.8413  -0.9000   3.8440   12.400   4.2184   4.3985   1.9294   10.027   1.8497 -5.628732 2.672856 
1 1 1   14   38   16 o   38.682   2.5979  182.348   23.593  162.600   33.448  201.900   33.282   35.746   4.0332   40.189   3.5433 -4.443336 5.368593 
1 1 1   14   38   17 o   19.753   2.7007   48.300   12.267   0.0000   0.0000   48.300   12.267  ?   ?    19.753   2.7007 0.000000 2.700706 
1 1 1   14   38   18 o   24.038   2.8819   71.700   16.032   0.0000   0.0000   71.700   16.032  ?   ?    24.038   2.8819 0.000000 2.881918 
1 1 1   14   38   19 o   20.030   2.7324   49.900   12.587   0.0000   0.0000   49.900   12.587  ?   ?    20.030   2.7324 0.000000 2.732403 
1 1 1   14   38   20 o   25.042   2.9311   78.200   17.005   0.0000   0.0000   78.200   17.005  ?   ?    25.042   2.9311 0.000000 2.931111 
1 1 1   14   38   21 o   4.7621   1.9801   0.7000   3.6753   0.0000   0.0000   0.7000   3.6753  ?   ?    4.7621   1.9801 0.000000 1.980063 
1 1 1   14   38   22 o   22.770   2.8419   64.800   14.948   0.0000   0.0000   64.800   14.948  ?   ?    22.770   2.8419 0.000000 2.841938 
1 1 1   14   38   23 o   17.410   2.6204   37.900   10.439   0.0000   0.0000   37.900   10.439  ?   ?    17.410   2.6204 0.000000 2.620408 
1 1 1   14   38   24 o   28.029   3.0875   99.000   20.096   0.0000   0.0000   99.000   20.096  ?   ?    28.029   3.0875 0.000000 3.087479 
1 1 1   14   38   25 o   7.8679   2.4360   7.6000   4.9902   0.0000   0.0000   7.6000   4.9902  ?   ?    7.8679   2.4360 0.000000 2.435987 
1 1 1   14   38   26 o   19.441   2.7166   47.600   12.130   0.0000   0.0000   47.600   12.130  ?   ?    19.441   2.7166 0.000000 2.716567 
1 1 1   14   38   27 o   19.561   2.7317   48.500   12.274   0.0000   0.0000   48.500   12.274  ?   ?    19.561   2.7317 0.000000 2.731724 
1 1 1   14   38   28 o   8.1314   2.5041   8.3000   5.2812   0.0000   0.0000   8.3000   5.2812  ?   ?    8.1314   2.5041 0.000000 2.504097 
1 1 1   14   38   29 o   14.703   2.6818   28.100   8.9680   0.0000   0.0000   28.100   8.9680  ?   ?    14.703   2.6818 0.000000 2.681785 
1 1 1   14   38   30 f   14.360   2.8908   27.500   9.4633   0.0000   0.0000   27.500   9.4633  ?   ?    14.360   2.8908 0.000000 2.890813 
1 1 1   14   38   31 f   2.9693   1.4677  -8.2000   3.7755   0.0000   0.0000  -8.2000   3.7755  ?   ?    2.9693   1.4677 0.000000 1.467741 
1 1 1   14   38   32 o   9.9906   2.8865   13.700   7.1921   0.0000   0.0000   13.700   7.1921  ?   ?    9.9906   2.8865 0.000000 2.886464 
1 1 1   14   38   33 o   7.4425   2.4609   7.1000   5.0306   0.0000   0.0000   7.1000   5.0306  ?   ?    7.4425   2.4609 0.000000 2.460850 
1 1 1   14   38   34 f   3.5881   1.6402  -1.8000   3.1076   0.0000   0.0000  -1.8000   3.1076  ?   ?    3.5881   1.6402 0.000000 1.640242 
1 1 1   14   38   35 o   5.1037   2.0564   1.9000   3.8110   0.0000   0.0000   1.9000   3.8110  ?   ?    5.1037   2.0564 0.000000 2.056374 
1 1 1   14   39    0 o   5.1409   2.8669   4.3000   5.1803   4.3000   5.1803   4.3000   5.1803   5.1409   2.8669   5.1409   2.8669 0.000000 0.000000 
1 1 1   14   39    1 o   42.562   2.5692  218.952   25.700  183.200   35.885  256.600   36.824   38.269   4.0317   45.682   3.4389 -7.413345 5.299095 
1 1 1   14   39    2 o   14.866   1.8907   26.790   6.4871   25.500   8.7057   28.400   9.7273   14.321   2.6726   15.094   2.8333 -0.7721176 3.894889 
1 1 1   14   39    3 o   52.067   3.2291  331.600   39.505  311.300   56.008  351.700   55.731   49.374   4.8672   52.773   4.5158 -3.398693 6.639391 
1 1 1   14   39    4 o   37.677   2.5623  171.810   22.660  149.100   32.125  194.300   31.969   34.470   4.0224   39.698   3.4445 -5.227383 5.295690 
1 1 1   14   39    5 f   40.733   2.6635  201.150   25.478  191.000   36.031  211.300   36.031   39.080   3.9591   41.242   3.7405 -2.161720 5.446635 
1 1 1   14   39    6 o   43.438   2.7806  229.288   28.372  238.400   40.151  220.200   40.097   43.690   3.9340   41.875   4.1079 1.814693 5.687853 
1 1 1   14   39    7 o   11.368   2.1354   15.979   5.5220   29.100   8.1415   4.8000   7.5148   15.400   2.3100   7.6328   2.9447 7.767557 3.742697 
1 1 1   14   39    8 o   16.309   1.8827   32.194   7.1172   35.300   10.075   29.100   10.055   16.910   2.6070   15.245   2.8991 1.665336 3.898838 
1 1 1   14   39    9 o   16.375   1.8699   32.451   7.1010   33.000   9.6392   31.800   10.501   16.341   2.5840   15.950   2.8946 0.3910694 3.880135 
1 1 1   14   39   10 o   27.688   2.1105   92.486   13.695   93.400   19.516   91.600   19.223   27.512   3.0556   27.249   3.0392 0.2629051 4.309711 
1 1 1   14   39   11 o   39.743   2.6248  192.109   24.495  164.400   34.615  219.900   34.666   35.971   4.1515   42.054   3.5234 -6.083225 5.445096 
1 1 1   14   39   12 o   39.225   2.5857  187.201   23.816  184.700   33.689  189.700   33.673   38.336   3.7703   38.891   3.7117 -0.5546112 5.290709 
1 1 1   14   39   13 o   26.204   2.0005   82.846   12.285   92.200   17.779   74.300   16.995   27.387   2.7881   24.478   3.0031 2.908518 4.097867 
1 1 1   14   39   14 o   7.4777   2.5120   6.4000   5.2377   0.0000   0.0000   6.4000   5.2377  ?   ?    7.4777   2.5120 0.000000 2.511984 
1 1 1   14   39   15 o   47.585   4.4156  292.000   49.051   0.0000   0.0000  292.000   49.051  ?   ?    47.585   4.4156 0.000000 4.415575 
1 1 1   14   39   16 o   26.559   2.9805   87.700   18.370   0.0000   0.0000   87.700   18.370  ?   ?    26.559   2.9805 0.000000 2.980545 
1 1 1   14   39   17 f   24.850   2.9355   76.900   16.893   0.0000   0.0000   76.900   16.893  ?   ?    24.850   2.9355 0.000000 2.935547 
1 1 1   14   39   18 o   20.363   2.7232   51.600   12.766   0.0000   0.0000   51.600   12.766  ?   ?    20.363   2.7232 0.000000 2.723225 
1 1 1   14   39   19 o   5.5629   2.0935   2.8000   3.7388   0.0000   0.0000   2.8000   3.7388  ?   ?    5.5629   2.0935 0.000000 2.093546 
1 1 1   14   39   20 o   10.458   2.6050   13.900   6.4092   0.0000   0.0000   13.900   6.4092  ?   ?    10.458   2.6050 0.000000 2.604971 
1 1 1   14   39   21 o   11.901   2.6426   18.000   7.2326   0.0000   0.0000   18.000   7.2326  ?   ?    11.901   2.6426 0.000000 2.642564 
1 1 1   14   39   22 o   32.554   3.4196  134.800   25.894   0.0000   0.0000  134.800   25.894  ?   ?    32.554   3.4196 0.000000 3.419635 
1 1 1   14   39   23 o   14.829   2.6544   27.800   8.9532   0.0000   0.0000   27.800   8.9532  ?   ?    14.829   2.6544 0.000000 2.654352 
1 1 1   14   39   24 o   11.924   2.5499   18.100   6.9622   0.0000   0.0000   18.100   6.9622  ?   ?    11.924   2.5499 0.000000 2.549912 
1 1 1   14   39   25 o   2.7454   1.2738  -1.7000   1.9751   0.0000   0.0000  -1.7000   1.9751  ?   ?    2.7454   1.2738 0.000000 1.273783 
1 1 1   14   39   26 o   35.277   3.6916  164.500   30.296   0.0000   0.0000  164.500   30.296  ?   ?    35.277   3.6916 0.000000 3.691556 
1 1 1   14   39   27 o   5.2605   2.0992   1.9000   3.9301   0.0000   0.0000   1.9000   3.9301  ?   ?    5.2605   2.0992 0.000000 2.099160 
1 1 1   14   39   28 o   30.500   3.5318  126.100   24.966   0.0000   0.0000  126.100   24.966  ?   ?    30.500   3.5318 0.000000 3.531839 
1 1 1   14   39   29 o   35.682   4.0249  182.600   33.321   0.0000   0.0000  182.600   33.321  ?   ?    35.682   4.0249 0.000000 4.024925 
1 1 1   14   39   30 o   6.4285   2.5267   3.7000   5.6149   0.0000   0.0000   3.7000   5.6149  ?   ?    6.4285   2.5267 0.000000 2.526734 
1 1 1   14   39   31 o   6.9577   2.4047   5.9000   4.8054   0.0000   0.0000   5.9000   4.8054  ?   ?    6.9577   2.4047 0.000000 2.404678 
1 1 1   14   39   32 f   5.3382   2.2501   1.1000   4.8453   0.0000   0.0000   1.1000   4.8453  ?   ?    5.3382   2.2501 0.000000 2.250096 
1 1 1   14   39   33 o   4.9264   2.1647  -0.5000   4.8567   0.0000   0.0000  -0.5000   4.8567  ?   ?    4.9264   2.1647 0.000000 2.164694 
1 1 1   14   39   34 o   8.4565   2.7408   9.7000   6.2523   0.0000   0.0000   9.7000   6.2523  ?   ?    8.4565   2.7408 0.000000 2.740774 
1 1 1   14   40    0 o   35.335   3.5641  155.000   29.045  155.000   29.045  155.000   29.045   35.335   3.5641   35.335   3.5641 0.000000 0.000000 
1 1 1   14   40    1 o   29.292   2.1928  103.563   15.057  107.700   21.391   99.500   21.199   29.558   3.1115   28.355   3.2234 1.202652 4.480153 
1 1 1   14   40    2 o   31.857   2.3149  122.691   17.295   91.300   24.417  154.300   24.501   26.830   3.9741   35.499   2.9496 -8.668447 4.949128 
1 1 1   14   40    3 o   19.732   2.8661   48.200   12.964   0.0000   0.0000   48.200   12.964  ?   ?    19.732   2.8661 0.000000 2.866136 
1 1 1   14   40    4 o   10.514   2.0769   13.702   4.9736   4.4000   6.8303   24.200   7.2565   7.2901   2.8089   14.018   2.2698 -6.727978 3.611324 
1 1 1   14   40    5 o   6.8627   2.2167   5.5116   4.0925   14.900   5.6969  -4.5000   5.8830   10.934   2.2802   4.8182   2.2224 6.116189 3.184082 
1 1 1   14   40    6 o   16.712   1.7401   33.698   6.7663   16.700   9.2134   53.600   9.9694   11.504   3.2489   21.052   2.0307 -9.547953 3.831289 
1 1 1   14   40    7 o   23.571   2.0054   67.067   11.056   62.500   15.752   71.500   15.520   22.426   3.0541   24.109   2.7770 -1.683086 4.127831 
1 1 1   14   40    8 o   15.634   2.1135   29.866   7.6026   41.400   10.273   15.900   11.304   18.366   2.4283   11.399   3.6843 6.967551 4.412577 
1 1 1   14   40    9 f   26.689   2.0929   86.071   13.084   75.700   18.478   96.500   18.530   24.618   3.2589   28.010   2.8408 -3.392931 4.323233 
1 1 1   14   40   10 o   37.846   2.5001  174.116   22.217  158.100   31.196  190.600   31.649   35.404   3.7904   39.102   3.4635 -3.698067 5.134521 
1 1 1   14   40   11 o   30.766   3.3199  118.100   23.737   0.0000   0.0000  118.100   23.737  ?   ?    30.766   3.3199 0.000000 3.319866 
1 1 1   14   40   12 o   16.565   2.6077   34.100   9.8629   0.0000   0.0000   34.100   9.8629  ?   ?    16.565   2.6077 0.000000 2.607711 
1 1 1   14   40   13 o   14.453   2.6587   26.200   8.7395   0.0000   0.0000   26.200   8.7395  ?   ?    14.453   2.6587 0.000000 2.658709 
1 1 1   14   40   14 o   29.253   3.1564  106.900   21.458   0.0000   0.0000  106.900   21.458  ?   ?    29.253   3.1564 0.000000 3.156444 
1 1 1   14   40   15 o   25.903   3.0354   83.800   18.214   0.0000   0.0000   83.800   18.214  ?   ?    25.903   3.0354 0.000000 3.035409 
1 1 1   14   40   16 o   5.2038   1.9419   2.5000   3.2035   0.0000   0.0000   2.5000   3.2035  ?   ?    5.2038   1.9419 0.000000 1.941899 
1 1 1   14   40   17 o   7.6319   2.4266   7.0000   4.9191   0.0000   0.0000   7.0000   4.9191  ?   ?    7.6319   2.4266 0.000000 2.426636 
1 1 1   14   40   18 o  ?   ?   -5.5000   0.8471   0.0000   0.0000  -5.5000   0.8471  ?   ?   ?   ?  0.000000      ? 
1 1 1   14   40   19 o   31.303   3.3033  123.700   24.049   0.0000   0.0000  123.700   24.049  ?   ?    31.303   3.3033 0.000000 3.303324 
1 1 1   14   40   20 o   31.797   3.3471  128.200   24.754   0.0000   0.0000  128.200   24.754  ?   ?    31.797   3.3471 0.000000 3.347123 
1 1 1   14   40   21 o   29.185   3.1952  107.800   21.660   0.0000   0.0000  107.800   21.660  ?   ?    29.185   3.1952 0.000000 3.195154 
1 1 1   14   40   22 o   20.390   2.7407   52.200   12.861   0.0000   0.0000   52.200   12.861  ?   ?    20.390   2.7407 0.000000 2.740665 
1 1 1   14   40   23 o   18.437   2.7323   43.000   11.536   0.0000   0.0000   43.000   11.536  ?   ?    18.437   2.7323 0.000000 2.732321 
1 1 1   14   40   24 o   35.108   3.6869  162.200   30.109   0.0000   0.0000  162.200   30.109  ?   ?    35.108   3.6869 0.000000 3.686926 
1 1 1   14   40   25 o   22.635   2.8489   65.700   14.890   0.0000   0.0000   65.700   14.890  ?   ?    22.635   2.8489 0.000000 2.848908 
1 1 1   14   40   26 o   16.632   2.7289   35.900   10.346   0.0000   0.0000   35.900   10.346  ?   ?    16.632   2.7289 0.000000 2.728904 
1 1 1   14   40   27 o   9.7258   2.4518   12.400   5.6294   0.0000   0.0000   12.400   5.6294  ?   ?    9.7258   2.4518 0.000000 2.451841 
1 1 1   14   40   28 o   8.3084   2.7024   8.9000   6.0759   0.0000   0.0000   8.9000   6.0759  ?   ?    8.3084   2.7024 0.000000 2.702402 
1 1 1   14   40   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   40   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   40   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   40   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   40   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41    0 o   36.750   3.6797  168.300   31.198  168.300   31.198  168.300   31.198   36.750   3.6797   36.750   3.6797 0.000000 0.000000 
1 1 1   14   41    1 o   43.999   2.8667  236.935   29.622  214.000   42.016  259.600   41.768   40.828   4.4291   45.373   3.9373 -4.545441 5.926179 
1 1 1   14   41    2 o   15.102   1.8869   27.716   6.5821   29.500   9.5483   26.100   9.0860   15.370   2.7309   14.426   2.7679 0.9435682 3.888354 
1 1 1   14   41    3 o   42.863   2.7114  224.121   27.302  261.900   38.782  187.000   38.442   45.792   3.6159   38.193   4.3396 7.599754 5.648590 
1 1 1   14   41    4 o   34.800   2.4313  147.070   19.854  137.200   28.107  156.900   28.049   33.032   3.6652   35.499   3.3871 -2.466805 4.990605 
1 1 1   14   41    5 o   20.429   1.9201   50.444   9.1542   49.800   12.882   51.100   13.011   20.043   2.7982   20.311   2.7861 -0.2685013 3.948676 
1 1 1   14   41    6 o   40.877   2.6718  203.954   25.647  227.000   36.428  181.300   36.116   42.540   3.6621   37.692   4.1251 4.847878 5.516057 
1 1 1   14   41    7 o   28.702   2.2177   99.885   14.914   79.000   21.187  120.400   20.998   24.911   3.7153   31.261   2.8769 -6.349499 4.698977 
1 1 1   14   41    8 o   18.993   2.9774   45.200   12.914   0.0000   0.0000   45.200   12.914  ?   ?    18.993   2.9774 0.000000 2.977351 
1 1 1   14   41    9 o   14.246   2.6976   25.500   8.7422   0.0000   0.0000   25.500   8.7422  ?   ?    14.246   2.6976 0.000000 2.697554 
1 1 1   14   41   10 o   54.263   5.1035  392.200   64.625   0.0000   0.0000  392.200   64.625  ?   ?    54.263   5.1035 0.000000 5.103507 
1 1 1   14   41   11 o   43.556   4.2173  244.700   42.832   0.0000   0.0000  244.700   42.832  ?   ?    43.556   4.2173 0.000000 4.217311 
1 1 1   14   41   12 o   18.068   2.6966   40.700   11.153   0.0000   0.0000   40.700   11.153  ?   ?    18.068   2.6966 0.000000 2.696567 
1 1 1   14   41   13 o   30.181   3.2325  114.300   22.679   0.0000   0.0000  114.300   22.679  ?   ?    30.181   3.2325 0.000000 3.232508 
1 1 1   14   41   14 o   19.810   2.6749   48.800   12.193   0.0000   0.0000   48.800   12.193  ?   ?    19.810   2.6749 0.000000 2.674934 
1 1 1   14   41   15 o   3.3495   1.5234  -1.6000   2.6374   0.0000   0.0000  -1.6000   2.6374  ?   ?    3.3495   1.5234 0.000000 1.523352 
1 1 1   14   41   16 o   32.297   3.3864  131.800   25.442   0.0000   0.0000  131.800   25.442  ?   ?    32.297   3.3864 0.000000 3.386401 
1 1 1   14   41   17 o   21.539   2.8173   58.000   13.986   0.0000   0.0000   58.000   13.986  ?   ?    21.539   2.8173 0.000000 2.817320 
1 1 1   14   41   18 o   5.9922   2.2543   3.3000   4.3344   0.0000   0.0000   3.3000   4.3344  ?   ?    5.9922   2.2543 0.000000 2.254342 
1 1 1   14   41   19 o   22.917   2.8603   65.900   15.141   0.0000   0.0000   65.900   15.141  ?   ?    22.917   2.8603 0.000000 2.860277 
1 1 1   14   41   20 o   33.528   3.4686  144.000   27.064   0.0000   0.0000  144.000   27.064  ?   ?    33.528   3.4686 0.000000 3.468558 
1 1 1   14   41   21 o   35.314   3.6554  162.200   30.041   0.0000   0.0000  162.200   30.041  ?   ?    35.314   3.6554 0.000000 3.655391 
1 1 1   14   41   22 o   9.7163   2.8963   12.100   7.1452   0.0000   0.0000   12.100   7.1452  ?   ?    9.7163   2.8963 0.000000 2.896291 
1 1 1   14   41   23 o   44.594   4.6574  281.000   48.320   0.0000   0.0000  281.000   48.320  ?   ?    44.594   4.6574 0.000000 4.657447 
1 1 1   14   41   24 o   11.981   2.8631   19.000   7.9897   0.0000   0.0000   19.000   7.9897  ?   ?    11.981   2.8631 0.000000 2.863115 
1 1 1   14   41   25 o   16.511   2.8706   35.900   10.786   0.0000   0.0000   35.900   10.786  ?   ?    16.511   2.8706 0.000000 2.870572 
1 1 1   14   41   26 o   17.138   2.8522   39.000   11.137   0.0000   0.0000   39.000   11.137  ?   ?    17.138   2.8522 0.000000 2.852160 
1 1 1   14   41   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   41   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42    0 o   24.340   3.1408   74.800   17.225   74.800   17.225   74.800   17.225   24.340   3.1408   24.340   3.1408 0.000000 0.000000 
1 1 1   14   42    1 o   17.104   1.9608   35.578   7.7762   37.800   10.816   33.200   11.187   17.415   2.7191   16.197   3.0367 1.218370 4.076157 
1 1 1   14   42    2 o   16.106   1.8559   31.499   6.9290   27.600   9.9297   35.200   9.6735   14.760   2.9521   16.858   2.5063 -2.098473 3.872508 
1 1 1   14   42    3 o   14.194   1.9147   24.600   6.2536   18.900   8.4234   31.600   9.3345   12.176   2.9588   15.937   2.5677 -3.761167 3.917586 
1 1 1   14   42    4 o   22.831   2.9304   64.900   15.434   0.0000   0.0000   64.900   15.434  ?   ?    22.831   2.9304 0.000000 2.930357 
1 1 1   14   42    5 o   16.269   2.7927   33.200   10.342   0.0000   0.0000   33.200   10.342  ?   ?    16.269   2.7927 0.000000 2.792684 
1 1 1   14   42    6 o   10.900   2.9608   15.100   7.8180   0.0000   0.0000   15.100   7.8180  ?   ?    10.900   2.9608 0.000000 2.960765 
1 1 1   14   42    7 o   3.1480   1.4847  -3.2000   2.8730   0.0000   0.0000  -3.2000   2.8730  ?   ?    3.1480   1.4847 0.000000 1.484706 
1 1 1   14   42    8 o   30.518   3.3122  117.000   23.485   0.0000   0.0000  117.000   23.485  ?   ?    30.518   3.3122 0.000000 3.312178 
1 1 1   14   42    9 o   21.987   2.8781   60.300   14.585   0.0000   0.0000   60.300   14.585  ?   ?    21.987   2.8781 0.000000 2.878144 
1 1 1   14   42   10 o   33.333   3.4630  140.300   26.860   0.0000   0.0000  140.300   26.860  ?   ?    33.333   3.4630 0.000000 3.463046 
1 1 1   14   42   11 o   21.862   2.8401   59.600   14.315   0.0000   0.0000   59.600   14.315  ?   ?    21.862   2.8401 0.000000 2.840104 
1 1 1   14   42   12 o   11.054   2.9478   15.600   7.8357   0.0000   0.0000   15.600   7.8357  ?   ?    11.054   2.9478 0.000000 2.947793 
1 1 1   14   42   13 o   9.7072   2.9009   11.800   7.1613   0.0000   0.0000   11.800   7.1613  ?   ?    9.7072   2.9009 0.000000 2.900925 
1 1 1   14   42   14 o   27.120   3.1441   92.500   19.761   0.0000   0.0000   92.500   19.761  ?   ?    27.120   3.1441 0.000000 3.144069 
1 1 1   14   42   15 o   20.376   2.9475   52.300   13.770   0.0000   0.0000   52.300   13.770  ?   ?    20.376   2.9475 0.000000 2.947454 
1 1 1   14   42   16 o   20.858   2.9694   54.900   14.212   0.0000   0.0000   54.900   14.212  ?   ?    20.858   2.9694 0.000000 2.969432 
1 1 1   14   42   17 o   13.492   2.9445   23.400   9.1175   0.0000   0.0000   23.400   9.1175  ?   ?    13.492   2.9445 0.000000 2.944456 
1 1 1   14   42   18 f   30.246   3.3863  117.200   23.771   0.0000   0.0000  117.200   23.771  ?   ?    30.246   3.3863 0.000000 3.386285 
1 1 1   14   42   19 o   8.5875   2.4998   9.3000   5.3763   0.0000   0.0000   9.3000   5.3763  ?   ?    8.5875   2.4998 0.000000 2.499821 
1 1 1   14   42   20 o   33.578   3.5923  147.700   28.042   0.0000   0.0000  147.700   28.042  ?   ?    33.578   3.5923 0.000000 3.592285 
1 1 1   14   42   21 o   18.684   2.8341   44.900   12.111   0.0000   0.0000   44.900   12.111  ?   ?    18.684   2.8341 0.000000 2.834080 
1 1 1   14   42   22 o   26.279   3.1847   90.700   19.359   0.0000   0.0000   90.700   19.359  ?   ?    26.279   3.1847 0.000000 3.184714 
1 1 1   14   42   23 o   10.666   3.1686   15.300   8.5626   0.0000   0.0000   15.300   8.5626  ?   ?    10.666   3.1686 0.000000 3.168606 
1 1 1   14   42   24 o   20.596   3.0825   56.800   14.531   0.0000   0.0000   56.800   14.531  ?   ?    20.596   3.0825 0.000000 3.082512 
1 1 1   14   42   25 o   2.9611   1.4694  -9.1000   3.9235   0.0000   0.0000  -9.1000   3.9235  ?   ?    2.9611   1.4694 0.000000 1.469434 
1 1 1   14   42   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   42   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   43    0 o   30.731   3.3960  118.500   23.875  118.500   23.875  118.500   23.875   30.731   3.3960   30.731   3.3960 0.000000 0.000000 
1 1 1   14   43    1 o   13.332   3.1126   22.800   9.6210   0.0000   0.0000   22.800   9.6210  ?   ?    13.332   3.1126 0.000000 3.112559 
1 1 1   14   43    2 o   18.599   2.7745   43.200   11.812   0.0000   0.0000   43.200   11.812  ?   ?    18.599   2.7745 0.000000 2.774481 
1 1 1   14   43    3 o   8.5056   3.0013   8.0000   7.5070   0.0000   0.0000   8.0000   7.5070  ?   ?    8.5056   3.0013 0.000000 3.001265 
1 1 1   14   43    4 o   40.803   3.9989  213.700   38.035   0.0000   0.0000  213.700   38.035  ?   ?    40.803   3.9989 0.000000 3.998900 
1 1 1   14   43    5 o   32.318   3.4007  131.600   25.563   0.0000   0.0000  131.600   25.563  ?   ?    32.318   3.4007 0.000000 3.400718 
1 1 1   14   43    6 o   20.284   3.0027   51.700   13.948   0.0000   0.0000   51.700   13.948  ?   ?    20.284   3.0027 0.000000 3.002719 
1 1 1   14   43    7 f   15.154   2.7349   28.900   9.4264   0.0000   0.0000   28.900   9.4264  ?   ?    15.154   2.7349 0.000000 2.734879 
1 1 1   14   43    8 o   21.895   2.9023   59.900   14.635   0.0000   0.0000   59.900   14.635  ?   ?    21.895   2.9023 0.000000 2.902269 
1 1 1   14   43    9 o   30.839   3.3456  119.900   23.973   0.0000   0.0000  119.900   23.973  ?   ?    30.839   3.3456 0.000000 3.345630 
1 1 1   14   43   10 o   23.957   3.0249   72.000   16.731   0.0000   0.0000   72.000   16.731  ?   ?    23.957   3.0249 0.000000 3.024873 
1 1 1   14   43   11 o   13.641   2.7374   23.600   8.5111   0.0000   0.0000   23.600   8.5111  ?   ?    13.641   2.7374 0.000000 2.737428 
1 1 1   14   43   12 o   11.986   3.0328   18.500   8.5908   0.0000   0.0000   18.500   8.5908  ?   ?    11.986   3.0328 0.000000 3.032779 
1 1 1   14   43   13 o   16.028   3.0110   32.800   10.977   0.0000   0.0000   32.800   10.977  ?   ?    16.028   3.0110 0.000000 3.011017 
1 1 1   14   43   14 o   43.290   4.2266  246.400   42.654   0.0000   0.0000  246.400   42.654  ?   ?    43.290   4.2266 0.000000 4.226619 
1 1 1   14   43   15 o   6.3184   2.5989   1.9000   6.2382   0.0000   0.0000   1.9000   6.2382  ?   ?    6.3184   2.5989 0.000000 2.598917 
1 1 1   14   43   16 o   22.828   3.0649   66.400   16.104   0.0000   0.0000   66.400   16.104  ?   ?    22.828   3.0649 0.000000 3.064908 
1 1 1   14   43   17 o   27.213   3.2120   95.100   20.242   0.0000   0.0000   95.100   20.242  ?   ?    27.213   3.2120 0.000000 3.212034 
1 1 1   14   43   18 o   10.743   3.0596   15.100   8.1359   0.0000   0.0000   15.100   8.1359  ?   ?    10.743   3.0596 0.000000 3.059594 
1 1 1   14   43   19 o   16.187   2.9055   34.100   10.698   0.0000   0.0000   34.100   10.698  ?   ?    16.187   2.9055 0.000000 2.905548 
1 1 1   14   43   20 o   13.305   2.7572   23.200   8.3778   0.0000   0.0000   23.200   8.3778  ?   ?    13.305   2.7572 0.000000 2.757169 
1 1 1   14   43   21 o   26.913   3.1739   96.000   19.783   0.0000   0.0000   96.000   19.783  ?   ?    26.913   3.1739 0.000000 3.173908 
1 1 1   14   43   22 o   18.843   2.8996   47.000   12.488   0.0000   0.0000   47.000   12.488  ?   ?    18.843   2.8996 0.000000 2.899588 
1 1 1   14   43   23 o   23.642   3.1840   75.700   17.324   0.0000   0.0000   75.700   17.324  ?   ?    23.642   3.1840 0.000000 3.184015 
1 1 1   14   43   24 o   8.1995   2.9156   8.3000   7.0977   0.0000   0.0000   8.3000   7.0977  ?   ?    8.1995   2.9156 0.000000 2.915602 
1 1 1   14   43   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   43   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   43   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   43   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44    5 o   46.352   4.4480  282.300   48.086   0.0000   0.0000  282.300   48.086  ?   ?    46.352   4.4480 0.000000 4.447963 
1 1 1   14   44    6 o   17.145   3.1214   37.500   12.171   0.0000   0.0000   37.500   12.171  ?   ?    17.145   3.1214 0.000000 3.121382 
1 1 1   14   44    7 o   28.634   3.1726  103.200   21.091   0.0000   0.0000  103.200   21.091  ?   ?    28.634   3.1726 0.000000 3.172602 
1 1 1   14   44    8 o   31.913   3.4250  129.300   25.406   0.0000   0.0000  129.300   25.406  ?   ?    31.913   3.4250 0.000000 3.424960 
1 1 1   14   44    9 o   21.037   2.8429   55.500   13.761   0.0000   0.0000   55.500   13.761  ?   ?    21.037   2.8429 0.000000 2.842881 
1 1 1   14   44   10 o   5.8999   2.4325   1.5000   5.4812   0.0000   0.0000   1.5000   5.4812  ?   ?    5.8999   2.4325 0.000000 2.432546 
1 1 1   14   44   11 o   18.117   2.8355   41.500   11.733   0.0000   0.0000   41.500   11.733  ?   ?    18.117   2.8355 0.000000 2.835534 
1 1 1   14   44   12 o   3.8197   1.8196  -5.7000   4.5279   0.0000   0.0000  -5.7000   4.5279  ?   ?    3.8197   1.8196 0.000000 1.819597 
1 1 1   14   44   13 o   38.523   3.9273  195.200   35.226   0.0000   0.0000  195.200   35.226  ?   ?    38.523   3.9273 0.000000 3.927327 
1 1 1   14   44   14 o   22.419   2.9101   63.900   15.043   0.0000   0.0000   63.900   15.043  ?   ?    22.419   2.9101 0.000000 2.910114 
1 1 1   14   44   15 o   28.756   3.2638  107.000   21.770   0.0000   0.0000  107.000   21.770  ?   ?    28.756   3.2638 0.000000 3.263781 
1 1 1   14   44   16 o   11.097   2.9357   16.200   7.8117   0.0000   0.0000   16.200   7.8117  ?   ?    11.097   2.9357 0.000000 2.935739 
1 1 1   14   44   17 o   20.613   3.1292   55.800   14.753   0.0000   0.0000   55.800   14.753  ?   ?    20.613   3.1292 0.000000 3.129245 
1 1 1   14   44   18 o   15.611   2.8779   32.000   10.218   0.0000   0.0000   32.000   10.218  ?   ?    15.611   2.8779 0.000000 2.877919 
1 1 1   14   44   19 o   15.978   3.0128   34.100   10.950   0.0000   0.0000   34.100   10.950  ?   ?    15.978   3.0128 0.000000 3.012793 
1 1 1   14   44   20 o   26.789   3.2180   96.500   19.949   0.0000   0.0000   96.500   19.949  ?   ?    26.789   3.2180 0.000000 3.217955 
1 1 1   14   44   21 o   29.577   3.5643  121.400   24.392   0.0000   0.0000  121.400   24.392  ?   ?    29.577   3.5643 0.000000 3.564294 
1 1 1   14   44   22 o   5.2997   2.3450  -1.0000   5.7946   0.0000   0.0000  -1.0000   5.7946  ?   ?    5.2997   2.3450 0.000000 2.345004 
1 1 1   14   44   23 o   22.598   3.2045   70.200   16.621   0.0000   0.0000   70.200   16.621  ?   ?    22.598   3.2045 0.000000 3.204479 
1 1 1   14   44   24 o   12.023   3.1096   20.300   8.8942   0.0000   0.0000   20.300   8.8942  ?   ?    12.023   3.1096 0.000000 3.109556 
1 1 1   14   44   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   44   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   45   11 o   14.434   2.7593   26.800   9.0623   0.0000   0.0000   26.800   9.0623  ?   ?    14.434   2.7593 0.000000 2.759341 
1 1 1   14   45   12 o   23.177   2.9239   68.800   15.646   0.0000   0.0000   68.800   15.646  ?   ?    23.177   2.9239 0.000000 2.923911 
1 1 1   14   45   13 o   9.5953   3.0502   11.800   7.7726   0.0000   0.0000   11.800   7.7726  ?   ?    9.5953   3.0502 0.000000 3.050245 
1 1 1   14   45   14 o   16.126   2.9063   34.000   10.660   0.0000   0.0000   34.000   10.660  ?   ?    16.126   2.9063 0.000000 2.906346 
1 1 1   14   45   15 o   26.771   3.2156   94.500   19.921   0.0000   0.0000   94.500   19.921  ?   ?    26.771   3.2156 0.000000 3.215644 
1 1 1   14   45   16 o   10.771   2.8629   15.500   7.4066   0.0000   0.0000   15.500   7.4066  ?   ?    10.771   2.8629 0.000000 2.862912 
1 1 1   14   45   17 o   16.386   3.3250   36.800   12.426   0.0000   0.0000   36.800   12.426  ?   ?    16.386   3.3250 0.000000 3.324978 
1 1 1   14   45   18 f   20.217   3.1447   55.100   14.525   0.0000   0.0000   55.100   14.525  ?   ?    20.217   3.1447 0.000000 3.144711 
1 1 1   14   45   19 o   19.120   2.9571   48.900   12.920   0.0000   0.0000   48.900   12.920  ?   ?    19.120   2.9571 0.000000 2.957150 
1 1 1   14   45   20 o   24.329   3.1968   80.700   17.921   0.0000   0.0000   80.700   17.921  ?   ?    24.329   3.1968 0.000000 3.196766 
1 1 1   14   45   21 o   10.254   3.0072   14.500   7.7547   0.0000   0.0000   14.500   7.7547  ?   ?    10.254   3.0072 0.000000 3.007219 
1 1 1   14   45   22 o   23.389   3.2108   75.300   17.265   0.0000   0.0000   75.300   17.265  ?   ?    23.389   3.2108 0.000000 3.210756 
1 1 1   14   45   23 f   9.5952   2.9937   12.600   7.5202   0.0000   0.0000   12.600   7.5202  ?   ?    9.5952   2.9937 0.000000 2.993656 
1 1 1   14   45   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   46   20 o   10.875   3.1387   16.500   8.5081   0.0000   0.0000   16.500   8.5081  ?   ?    10.875   3.1387 0.000000 3.138683 
1 1 1   14   46   21 o  ?   ?  -17.6000   3.5711   0.0000   0.0000 -17.6000   3.5711  ?   ?   ?   ?  0.000000      ? 
1 1 1   14   46   22 o   6.3584   2.6708   2.1000   6.7879   0.0000   0.0000   2.1000   6.7879  ?   ?    6.3584   2.6708 0.000000 2.670763 
1 1 1   14   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   47   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   48   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   49   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   14   50    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0    1 o   19.327   1.7966   45.247   8.0363   45.247   8.0363   45.247   8.0363   19.327   1.7966   19.327   1.7966 0.000000 0.000000 
1 1 1   15    0    2 o   95.045   4.6689  1076.17  104.210  1076.17  104.210  1076.17  104.210   95.045   4.6689   95.045   4.6689 0.000000 0.000000 
1 1 1   15    0    3 o   53.965   3.2029  347.750   40.486  347.750   40.486  347.750   40.486   53.965   3.2029   53.965   3.2029 0.000000 0.000000 
1 1 1   15    0    4 o   39.095   2.5027  182.757   22.887  182.757   22.887  182.757   22.887   39.095   2.5027   39.095   2.5027 0.000000 0.000000 
1 1 1   15    0    5 f  101.793   5.2775  1236.09  126.077  1236.09  126.077  1236.09  126.077  101.793   5.2775  101.793   5.2775 0.000000 0.000000 
1 1 1   15    0    6 o   49.036   2.9886  287.267   34.311  287.267   34.311  287.267   34.311   49.036   2.9886   49.036   2.9886 0.000000 0.000000 
1 1 1   15    0    7 o   64.172   3.4395  490.883   51.779  490.883   51.779  490.883   51.779   64.172   3.4395   64.172   3.4395 0.000000 0.000000 
1 1 1   15    0    8 o  166.109   8.9408  3308.52  348.374  3308.52  348.374  3308.52  348.374  166.109   8.9408  166.109   8.9408 0.000000 0.000000 
1 1 1   15    0    9 o  105.422   5.6585  1327.18  139.936  1327.18  139.936  1327.18  139.936  105.422   5.6585  105.422   5.6585 0.000000 0.000000 
1 1 1   15    0   10 o   50.920   3.1224  309.838   37.220  309.838   37.220  309.838   37.220   50.920   3.1224   50.920   3.1224 0.000000 0.000000 
1 1 1   15    0   11 o   87.631   4.9257  917.268  101.191  917.268  101.191  917.268  101.191   87.631   4.9257   87.631   4.9257 0.000000 0.000000 
1 1 1   15    0   12 o  106.866   5.8931  1365.14  147.678  1365.14  147.678  1365.14  147.678  106.866   5.8931  106.866   5.8931 0.000000 0.000000 
1 1 1   15    0   13 o  207.498   11.341  5194.87  551.877  5194.87  551.877  5194.87  551.877  207.498   11.341  207.498   11.341 0.000000 0.000000 
1 1 1   15    0   14 o  185.523   10.130  4143.60  440.757  4143.60  440.757  4143.60  440.757  185.523   10.130  185.523   10.130 0.000000 0.000000 
1 1 1   15    0   15 o   37.923   2.4891  172.101   22.070  172.101   22.070  172.101   22.070   37.923   2.4891   37.923   2.4891 0.000000 0.000000 
1 1 1   15    0   16 o   11.486   1.5039   16.364   3.8852   16.364   3.8852   16.364   3.8852   11.486   1.5039   11.486   1.5039 0.000000 0.000000 
1 1 1   15    0   17 o   56.566   3.2404  382.009   42.958  382.009   42.958  382.009   42.958   56.566   3.2404   56.566   3.2404 0.000000 0.000000 
1 1 1   15    0   18 o   4.8402   2.0335   3.9083   2.3377   3.9083   2.3377   3.9083   2.3377   4.8402   2.0335   4.8402   2.0335 0.000000 0.000000 
1 1 1   15    0   19 o  220.109   12.006  5906.61  619.762  5906.61  619.762  5906.61  619.762  220.109   12.006  220.109   12.006 0.000000 0.000000 
1 1 1   15    0   20 o   44.150   2.7612  233.161   28.529  233.161   28.529  233.161   28.529   44.150   2.7612   44.150   2.7612 0.000000 0.000000 
1 1 1   15    0   21 o   83.825   4.6843  841.294   92.059  841.294   92.059  841.294   92.059   83.825   4.6843   83.825   4.6843 0.000000 0.000000 
1 1 1   15    0   22 f   56.660   3.2839  383.868   43.599  383.868   43.599  383.868   43.599   56.660   3.2839   56.660   3.2839 0.000000 0.000000 
1 1 1   15    0   23 o  170.950   9.4341  3571.37  378.178  3571.37  378.178  3571.37  378.178  170.950   9.4341  170.950   9.4341 0.000000 0.000000 
1 1 1   15    0   24 o   75.492   6.1789  694.800  108.450  694.800  108.450  694.800  108.450   75.492   6.1789   75.492   6.1789 0.000000 0.000000 
1 1 1   15    0   25 o  131.512   10.650  2168.40  325.749  2168.40  325.749  2168.40  325.749  131.512   10.650  131.512   10.650 0.000000 0.000000 
1 1 1   15    0   26 o   70.792   5.8628  612.500   96.459  612.500   96.459  612.500   96.459   70.792   5.8628   70.792   5.8628 0.000000 0.000000 
1 1 1   15    0   27 o   13.094   2.7586   22.800   7.5080   22.800   7.5080   22.800   7.5080   13.094   2.7586   13.094   2.7586 0.000000 0.000000 
1 1 1   15    0   28 o   36.933   3.5757  166.600   30.513  166.600   30.513  166.600   30.513   36.933   3.5757   36.933   3.5757 0.000000 0.000000 
1 1 1   15    0   29 o   76.564   6.3274  722.200  112.600  722.200  112.600  722.200  112.600   76.564   6.3274   76.564   6.3274 0.000000 0.000000 
1 1 1   15    0   30 o   0.8306   0.6145  -3.3000   0.9604  -3.3000   0.9604  -3.3000   0.9604   0.8306   0.6145   0.8306   0.6145 0.000000 0.000000 
1 1 1   15    0   31 o   66.974   5.6361  552.500   87.682  552.500   87.682  552.500   87.682   66.974   5.6361   66.974   5.6361 0.000000 0.000000 
1 1 1   15    0   32 o   43.834   3.9992  235.300   40.602  235.300   40.602  235.300   40.602   43.834   3.9992   43.834   3.9992 0.000000 0.000000 
1 1 1   15    0   33 o   17.263   2.7103   37.900   10.235   37.900   10.235   37.900   10.235   17.263   2.7103   17.263   2.7103 0.000000 0.000000 
1 1 1   15    0   34 o   41.886   3.9199  216.000   37.990  216.000   37.990  216.000   37.990   41.886   3.9199   41.886   3.9199 0.000000 0.000000 
1 1 1   15    0   35 o  ?   ?   -5.6000   0.8758  -5.6000   0.8758  -5.6000   0.8758  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   15    0   36 o   13.241   2.9835   23.800   8.1392   23.800   8.1392   23.800   8.1392   13.241   2.9835   13.241   2.9835 0.000000 0.000000 
1 1 1   15    0   37 o   20.805   2.8708   54.600   13.339   54.600   13.339   54.600   13.339   20.805   2.8708   20.805   2.8708 0.000000 0.000000 
1 1 1   15    0   38 o   38.506   3.7538  184.400   33.387  184.400   33.387  184.400   33.387   38.506   3.7538   38.506   3.7538 0.000000 0.000000 
1 1 1   15    0   39 o   22.876   2.9234   65.700   15.087   65.700   15.087   65.700   15.087   22.876   2.9234   22.876   2.9234 0.000000 0.000000 
1 1 1   15    0   40 o   3.9464   2.2123   2.5000   3.1045   2.5000   3.1045   2.5000   3.1045   3.9464   2.2123   3.9464   2.2123 0.000000 0.000000 
1 1 1   15    0   41 o   13.847   2.9332   25.800   8.4354   25.800   8.4354   25.800   8.4354   13.847   2.9332   13.847   2.9332 0.000000 0.000000 
1 1 1   15    0   42 o   10.401   3.6426   17.100   8.1036   17.100   8.1036   17.100   8.1036   10.401   3.6426   10.401   3.6426 0.000000 0.000000 
1 1 1   15    0   43 o   4.1335   2.3791   2.6000   3.7230   2.6000   3.7230   2.6000   3.7230   4.1335   2.3791   4.1335   2.3791 0.000000 0.000000 
1 1 1   15    0   44 o   23.554   3.0956   70.800   16.393   70.800   16.393   70.800   16.393   23.554   3.0956   23.554   3.0956 0.000000 0.000000 
1 1 1   15    0   45 o   24.085   3.0749   74.100   16.709   74.100   16.709   74.100   16.709   24.085   3.0749   24.085   3.0749 0.000000 0.000000 
1 1 1   15    0   46 o   6.3300   2.9183   7.1000   4.7956   7.1000   4.7956   7.1000   4.7956   6.3300   2.9183   6.3300   2.9183 0.000000 0.000000 
1 1 1   15    0   47 o   10.545   3.4892   17.400   7.7244   17.400   7.7244   17.400   7.7244   10.545   3.4892   10.545   3.4892 0.000000 0.000000 
1 1 1   15    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    0   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1    0 o   10.131   2.7454   14.500   5.6772   14.500   5.6772   14.500   5.6772   10.131   2.7454   10.131   2.7454 0.000000 0.000000 
1 1 1   15    1    1 o  109.105   5.9806  1417.93  153.494  1523.10  216.995  1312.60  217.152  112.665   8.2129  104.397   8.8935 8.268387 12.10567 
1 1 1   15    1    2 o  120.827   6.5201  1740.75  185.341  1727.90  262.071  1753.60  262.152  119.766   9.3405  120.675   9.2705 -0.9098206 13.16010 
1 1 1   15    1    3 o  153.565   8.1666  2822.90  295.076  3157.30  417.363  2488.70  417.238  161.554   11.006  142.836   12.496 18.71788 16.65185 
1 1 1   15    1    4 o  334.268   17.951 13938.58  1411.75 17196.80  1997.01 10683.60  1996.02  364.839   23.302  278.463   30.875 86.37585 38.68128 
1 1 1   15    1    5 o  194.499   10.233  4557.40  468.347  5495.10  662.502  3620.60  662.185  212.214   13.288  170.464   16.664 41.74922 21.31293 
1 1 1   15    1    6 o  256.275   14.282  8046.70  860.826  8405.80  1215.54  7685.40  1219.25  257.407   20.159  245.117   21.276 12.28987 29.30959 
1 1 1   15    1    7 o   87.814   4.7144  916.570   97.400  1065.60  137.804  767.800  137.684   94.486   6.2110   79.935   7.3776 14.55130 9.643875 
1 1 1   15    1    8 f  124.417   6.6731  1847.09  195.335  2162.50  276.273  1531.80  276.218  134.158   8.7691  112.350   10.535 21.80853 13.70679 
1 1 1   15    1    9 o   84.639   4.6622  851.642   92.821  1000.40  131.272  702.900  131.265   91.546   6.1076   76.447   7.3626 15.09929 9.566135 
1 1 1   15    1   10 o   42.559   2.6647  214.964   26.644  230.400   37.664  199.500   37.697   43.970   3.6607   40.858   3.9568 3.112068 5.390482 
1 1 1   15    1   11 o  129.217   7.0471  1995.50  214.214  2090.90  302.791  1899.90  303.098  131.545   9.8186  125.200   10.345 6.345337 14.26256 
1 1 1   15    1   12 o  157.595   8.5643  2982.71  317.513  3133.20  448.861  2832.00  449.200  160.278   11.946  152.053   12.625 8.225494 17.38060 
1 1 1   15    1   13 o   52.359   3.1171  325.470   38.365  339.500   54.217  311.400   54.295   53.346   4.3417   51.048   4.5520 2.297810 6.290531 
1 1 1   15    1   14 o   84.962   4.7080  858.870   94.084  872.900  132.960  844.800  133.150   85.333   6.6510   83.915   6.7774 1.417770 9.495731 
1 1 1   15    1   15 o   77.050   4.2251  705.826   76.580  672.700  108.179  739.100  108.421   74.915   6.1701   78.600   5.8843 -3.684563 8.526100 
1 1 1   15    1   16 o   17.817   1.7417   37.866   7.2340   34.100   10.252   41.600   10.209   16.772   2.6788   18.607   2.3778 -1.834862 3.581869 
1 1 1   15    1   17 o  136.457   7.4467  2237.13  239.044  2454.30  337.996  2019.80  338.123  141.918   10.153  128.202   11.284 13.71521 15.17929 
1 1 1   15    1   18 o   68.783   3.8861  562.851   62.860  563.300   88.850  562.400   88.946   68.545   5.5366   68.488   5.5475 0.5734253E-01 7.837647 
1 1 1   15    1   19 o  153.625   8.4385  2860.82  304.947  2997.50  431.065  2723.90  431.456  155.345   11.840  147.638   12.493 7.706757 17.21258 
1 1 1   15    1   20 o   28.939   2.0748   99.547   14.084  104.700   19.924   94.400   19.911   29.592   2.8881   28.062   3.0541 1.530146 4.203433 
1 1 1   15    1   21 o   56.160   3.2868  375.407   43.397  396.400   61.362  354.400   61.383   57.506   4.5561   54.300   4.8379 3.205715 6.645540 
1 1 1   15    1   22 o   48.945   2.8653  284.990   32.972  329.900   46.661  240.200   46.598   52.534   3.7868   44.659   4.4791 7.874886 5.865286 
1 1 1   15    1   23 o  144.694   8.0957  2574.99  275.498  2636.40  389.023  2513.20  390.205  143.475   11.581  139.725   11.941 3.749878 16.63481 
1 1 1   15    1   24 o  122.865   10.011  1914.30  287.926  1914.30  287.926   0.0000   0.0000  122.865   10.011  ?   ?  0.000000 10.01115 
1 1 1   15    1   25 o   43.980   3.8996  232.800   40.078  232.800   40.078   0.0000   0.0000   43.980   3.8996  ?   ?  0.000000 3.899597 
1 1 1   15    1   26 o   79.340   6.4716  775.300  120.190  775.300  120.190   0.0000   0.0000   79.340   6.4716  ?   ?  0.000000 6.471588 
1 1 1   15    1   27 o   9.9424   2.2882   12.200   5.2606   12.200   5.2606   0.0000   0.0000   9.9424   2.2882  ?   ?  0.000000 2.288172 
1 1 1   15    1   28 o   38.578   3.5700  179.600   32.153  179.600   32.153   0.0000   0.0000   38.578   3.5700  ?   ?  0.000000 3.570046 
1 1 1   15    1   29 o   38.124   3.5419  175.600   31.521  175.600   31.521   0.0000   0.0000   38.124   3.5419  ?   ?  0.000000 3.541859 
1 1 1   15    1   30 o   53.167   4.5632  345.100   56.735  345.100   56.735   0.0000   0.0000   53.167   4.5632  ?   ?  0.000000 4.563243 
1 1 1   15    1   31 o   53.472   4.5987  350.200   57.501  350.200   57.501   0.0000   0.0000   53.472   4.5987  ?   ?  0.000000 4.598702 
1 1 1   15    1   32 o   29.199   3.0251  103.200   20.555  103.200   20.555   0.0000   0.0000   29.199   3.0251  ?   ?  0.000000 3.025069 
1 1 1   15    1   33 o   41.900   3.8220  214.700   37.399  214.700   37.399   0.0000   0.0000   41.900   3.8220  ?   ?  0.000000 3.822048 
1 1 1   15    1   34 o   58.255   5.0497  426.500   68.776  426.500   68.776   0.0000   0.0000   58.255   5.0497  ?   ?  0.000000 5.049674 
1 1 1   15    1   35 o   52.487   4.6396  346.300   56.911  346.300   56.911   0.0000   0.0000   52.487   4.6396  ?   ?  0.000000 4.639590 
1 1 1   15    1   36 o   25.046   2.8533   76.800   16.574   76.800   16.574   0.0000   0.0000   25.046   2.8533  ?   ?  0.000000 2.853346 
1 1 1   15    1   37 o   48.066   4.3767  292.700   49.132  292.700   49.132   0.0000   0.0000   48.066   4.3767  ?   ?  0.000000 4.376735 
1 1 1   15    1   38 o   18.117   2.6259   40.500   10.906   40.500   10.906   0.0000   0.0000   18.117   2.6259  ?   ?  0.000000 2.625852 
1 1 1   15    1   39 o   20.662   2.6725   52.600   12.734   52.600   12.734   0.0000   0.0000   20.662   2.6725  ?   ?  0.000000 2.672533 
1 1 1   15    1   40 o   54.433   4.9782  388.300   63.279  388.300   63.279   0.0000   0.0000   54.433   4.9782  ?   ?  0.000000 4.978158 
1 1 1   15    1   41 o   33.119   3.3527  137.300   25.859  137.300   25.859   0.0000   0.0000   33.119   3.3527  ?   ?  0.000000 3.352729 
1 1 1   15    1   42 o   13.203   2.4968   21.900   7.4992   21.900   7.4992   0.0000   0.0000   13.203   2.4968  ?   ?  0.000000 2.496841 
1 1 1   15    1   43 o   32.738   3.4338  136.800   26.150  136.800   26.150   0.0000   0.0000   32.738   3.4338  ?   ?  0.000000 3.433763 
1 1 1   15    1   44 o   51.337   5.0512  368.200   60.440  368.200   60.440   0.0000   0.0000   51.337   5.0512  ?   ?  0.000000 5.051151 
1 1 1   15    1   45 o   13.539   2.5585   23.400   7.8800   23.400   7.8800   0.0000   0.0000   13.539   2.5585  ?   ?  0.000000 2.558547 
1 1 1   15    1   46 o   4.4724   1.9006   0.2000   3.5032   0.2000   3.5032   0.0000   0.0000   4.4724   1.9006  ?   ?  0.000000 1.900621 
1 1 1   15    1   47 f   24.004   2.9202   74.200   16.212   74.200   16.212   0.0000   0.0000   24.004   2.9202  ?   ?  0.000000 2.920245 
1 1 1   15    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    1   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2    0 o   99.810   7.8939  1204.00  183.371  1204.00  183.371  1204.00  183.371   99.810   7.8939   99.810   7.8939 0.000000 0.000000 
1 1 1   15    2    1 o  125.338   6.4026  1872.15  188.865  1634.00  266.677  2111.80  267.516  116.328   9.7995  132.666   8.5854 -16.33815 13.02838 
1 1 1   15    2    2 o  117.754   6.3584  1652.83  176.145  1788.70  249.125  1517.00  249.089  122.021   8.7032  112.131   9.4965 9.889587 12.88137 
1 1 1   15    2    3 o   16.880   1.5926   33.957   6.2732   44.000   8.9135   24.100   8.8304   19.195   1.9957   14.035   2.7629 5.160068 3.408266 
1 1 1   15    2    4 o  196.693   10.076  4657.27  466.413  5458.00  659.950  3858.20  659.264  211.514   13.281  176.384   16.003 35.13002 20.79571 
1 1 1   15    2    5 o  192.596   10.021  4465.40  454.177  5119.70  642.575  3812.20  642.031  204.766   13.363  175.473   15.659 29.29335 20.58571 
1 1 1   15    2    6 o   77.749   4.1717  717.879   76.309  881.800  107.974  554.300  107.862   86.047   5.3404   67.915   6.8177 18.13195 8.660282 
1 1 1   15    2    7 o  195.375   9.8744  4594.21  454.078  5489.70  642.555  3700.90  641.772  212.235   12.882  172.652   15.921 39.58389 20.47991 
1 1 1   15    2    8 o   59.330   3.3509  417.751   46.754  505.700   66.139  329.900   66.102   65.197   4.3205   52.450   5.4151 12.74708 6.927501 
1 1 1   15    2    9 o  321.692   17.584 12923.74  1330.70 15270.60  1882.16 10578.20  1881.63  342.719   23.397  278.248   29.067 64.47141 37.31355 
1 1 1   15    2   10 o  178.297   9.4049  3824.10  394.566  4507.90  558.143  3141.00  557.859  192.370   12.352  159.239   15.013 33.13069 19.44146 
1 1 1   15    2   11 o  290.421   16.058 10469.38  1096.99 12116.10  1551.32  8822.40  1551.44  306.620   21.563  256.726   25.948 49.89362 33.73832 
1 1 1   15    2   12 o   89.436   4.9340  951.772  103.799  967.500  146.693  936.000  146.896   89.833   6.9699   88.324   7.1033 1.509026 9.951679 
1 1 1   15    2   13 o   61.137   3.5510  443.937   51.043  465.600   72.125  422.200   72.248   62.449   4.9311   59.409   5.2024 3.039429 7.168077 
1 1 1   15    2   14 o   79.773   4.4711  756.896   83.884  813.700  118.581  700.000  118.678   82.465   6.1335   76.359   6.6482 6.105865 9.045328 
1 1 1   15    2   15 o  121.045   6.6069  1752.07  188.133  1833.00  265.951  1671.00  266.170  123.095   9.2164  117.349   9.6922 5.746170 13.37461 
1 1 1   15    2   16 o   89.126   4.9549  946.404  103.869  1018.50  146.839  874.200  146.948   92.112   6.7989   85.171   7.3794 6.941116 10.03399 
1 1 1   15    2   17 o  103.296   5.6877  1274.46  138.199  1341.80  195.359  1207.00  195.526  105.445   7.9034   99.845   8.3703 5.600288 11.51198 
1 1 1   15    2   18 o   68.616   3.8884  560.159   62.744  588.800   88.719  531.500   88.748   70.111   5.4004   66.534   5.7039 3.576660 7.854801 
1 1 1   15    2   19 o  136.980   7.4496  2263.31  240.059  2529.20  339.490  1997.40  339.499  143.595   10.076  126.827   11.460 16.76759 15.25956 
1 1 1   15    2   20 o   57.695   3.3558  396.055   45.522  434.800   64.374  357.300   64.382   60.274   4.5566   54.514   5.0591 5.760548 6.808596 
1 1 1   15    2   21 o  118.499   6.5185  1694.05  181.699  1822.20  256.913  1565.80  257.011  121.761   8.9992  112.423   9.7787 9.337509 13.28944 
1 1 1   15    2   22 o   78.648   4.3734  739.731   80.901  806.700  114.427  672.800  114.395   81.704   5.9723   74.390   6.5801 7.314049 8.886284 
1 1 1   15    2   23 o   86.242   4.9185  893.654   99.750  959.800  140.904  827.200  141.232   88.711   6.7777   82.081   7.3650 6.630104 10.00903 
1 1 1   15    2   24 o   15.281   1.6099   27.925   5.7219   30.100   8.1393   25.800   8.0456   15.783   2.2474   14.560   2.4254 1.222503 3.306617 
1 1 1   15    2   25 o   36.603   3.4346  161.000   29.339  161.000   29.339   0.0000   0.0000   36.603   3.4346  ?   ?  0.000000 3.434617 
1 1 1   15    2   26 o   57.271   4.8165  397.900   64.532  397.900   64.532   0.0000   0.0000   57.271   4.8165  ?   ?  0.000000 4.816486 
1 1 1   15    2   27 o   82.300   6.7371  840.800  129.781  840.800  129.781   0.0000   0.0000   82.300   6.7371  ?   ?  0.000000 6.737097 
1 1 1   15    2   28 o   34.694   3.3261  145.100   26.915  145.100   26.915   0.0000   0.0000   34.694   3.3261  ?   ?  0.000000 3.326068 
1 1 1   15    2   29 o  109.267   9.2295  1560.80  235.909  1560.80  235.909   0.0000   0.0000  109.267   9.2295  ?   ?  0.000000 9.229473 
1 1 1   15    2   30 o   64.484   5.4025  512.800   81.505  512.800   81.505   0.0000   0.0000   64.484   5.4025  ?   ?  0.000000 5.402461 
1 1 1   15    2   31 o   47.892   4.2003  279.700   47.021  279.700   47.021   0.0000   0.0000   47.892   4.2003  ?   ?  0.000000 4.200253 
1 1 1   15    2   32 o   36.409   3.4561  160.900   29.358  160.900   29.358   0.0000   0.0000   36.409   3.4561  ?   ?  0.000000 3.456108 
1 1 1   15    2   33 o   34.528   3.3579  145.100   27.032  145.100   27.032   0.0000   0.0000   34.528   3.3579  ?   ?  0.000000 3.357909 
1 1 1   15    2   34 f   85.137   7.4859  970.300  148.965  970.300  148.965   0.0000   0.0000   85.137   7.4859  ?   ?  0.000000 7.485884 
1 1 1   15    2   35 o   44.268   4.0323  243.300   41.688  243.300   41.688   0.0000   0.0000   44.268   4.0323  ?   ?  0.000000 4.032309 
1 1 1   15    2   36 o   29.075   3.0606  103.700   20.697  103.700   20.697   0.0000   0.0000   29.075   3.0606  ?   ?  0.000000 3.060563 
1 1 1   15    2   37 o   44.934   4.1344  254.200   43.376  254.200   43.376   0.0000   0.0000   44.934   4.1344  ?   ?  0.000000 4.134403 
1 1 1   15    2   38 o   8.7750   2.3415   9.6000   4.9418   9.6000   4.9418   0.0000   0.0000   8.7750   2.3415  ?   ?  0.000000 2.341465 
1 1 1   15    2   39 o   31.383   3.2381  122.200   23.652  122.200   23.652   0.0000   0.0000   31.383   3.2381  ?   ?  0.000000 3.238136 
1 1 1   15    2   40 o   11.031   2.4897   15.300   6.3316   15.300   6.3316   0.0000   0.0000   11.031   2.4897  ?   ?  0.000000 2.489724 
1 1 1   15    2   41 o   23.573   2.7963   68.800   15.262   68.800   15.262   0.0000   0.0000   23.573   2.7963  ?   ?  0.000000 2.796299 
1 1 1   15    2   42 o   6.1639   2.0833   4.3000   3.6028   4.3000   3.6028   0.0000   0.0000   6.1639   2.0833  ?   ?  0.000000 2.083294 
1 1 1   15    2   43 o   54.193   5.2173  406.500   65.940  406.500   65.940   0.0000   0.0000   54.193   5.2173  ?   ?  0.000000 5.217272 
1 1 1   15    2   44 o   15.630   2.5327   30.800   9.0276   30.800   9.0276   0.0000   0.0000   15.630   2.5327  ?   ?  0.000000 2.532651 
1 1 1   15    2   45 o   25.587   2.9816   83.600   17.677   83.600   17.677   0.0000   0.0000   25.587   2.9816  ?   ?  0.000000 2.981604 
1 1 1   15    2   46 o   9.3764   2.4485   11.300   5.4801   11.300   5.4801   0.0000   0.0000   9.3764   2.4485  ?   ?  0.000000 2.448523 
1 1 1   15    2   47 f   5.2979   2.0740   2.2000   3.7700   2.2000   3.7700   0.0000   0.0000   5.2979   2.0740  ?   ?  0.000000 2.074003 
1 1 1   15    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    2   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3    0 o  210.478   16.460  5440.40  806.593  5440.40  806.593  5440.40  806.593  210.478   16.460  210.478   16.460 0.000000 0.000000 
1 1 1   15    3    1 o  100.486   5.4184  1201.44  128.094  1268.80  181.239  1134.20  181.067  102.916   7.5095   97.186   7.9598 5.730377 10.94307 
1 1 1   15    3    2 o  274.988   15.086  9291.85  975.854  9608.80  1379.63  8974.50  1380.50  274.263   21.474  264.202   22.337 10.06082 30.98531 
1 1 1   15    3    3 o   43.553   2.5168  224.943   25.773  270.700   36.512  179.500   36.386   47.730   3.2590   38.730   4.0380 8.999737 5.189067 
1 1 1   15    3    4 o  120.587   6.2969  1732.94  178.680  1933.90  252.889  1532.60  252.495  126.940   8.4855  112.676   9.5808 14.26479 12.79825 
1 1 1   15    3    5 o  168.585   8.1229  3393.30  323.366  4116.60  457.913  2673.80  456.707  184.702   10.543  147.764   13.229 36.93767 16.91615 
1 1 1   15    3    6 o  110.342   5.8107  1449.83  150.870  1705.80  213.475  1194.40  213.249  119.368   7.6132   99.454   9.1841 19.91389 11.92931 
1 1 1   15    3    7 o  135.516   6.2808  2183.18  200.987  2833.50  284.760  1537.60  283.720  153.893   7.8623  112.490   10.814 41.40305 13.37026 
1 1 1   15    3    8 o   84.592   4.4214  850.083   88.012  996.100  124.582  704.600  124.354   91.399   5.8024   76.618   6.9489 14.78040 9.052872 
1 1 1   15    3    9 o  136.663   7.2861  2232.20  234.282  2375.20  331.438  2089.40  331.212  140.224   10.077  131.255   10.782 8.968826 14.75751 
1 1 1   15    3   10 o  243.001   13.188  7214.28  753.894  7696.40  1066.19  6732.20  1066.14  247.162   18.400  229.931   19.830 17.23134 27.05150 
1 1 1   15    3   11 o   96.824   5.3173  1116.13  121.108  1177.00  171.228  1055.20  171.317   99.068   7.3722   93.680   7.8158 5.387909 10.74413 
1 1 1   15    3   12 o  273.428   15.191  9255.01  976.953  9668.50  1381.02  8840.80  1382.22  273.208   21.582  259.941   22.748 13.26767 31.35666 
1 1 1   15    3   13 o   28.361   2.0580   95.549   13.689   92.700   19.356   98.400   19.361   27.835   2.9918   28.699   2.8966 -0.8638687 4.164297 
1 1 1   15    3   14 o   68.467   3.8679  557.001   62.279  586.300   88.074  527.700   88.078   70.051   5.3652   66.388   5.6729 3.662880 7.808097 
1 1 1   15    3   15 o  160.751   8.7819  3113.96  332.093  3336.70  469.486  2890.90  469.814  164.929   12.140  152.969   13.134 11.96059 17.88532 
1 1 1   15    3   16 o  193.825   10.665  4573.89  486.264  4888.90  687.424  4258.40  687.938  197.672   14.835  183.560   16.032 14.11275 21.84293 
1 1 1   15    3   17 o   88.550   4.9764  934.906  103.634  1025.60  146.475  844.000  146.645   92.391   6.7608   83.588   7.5097 8.802574 10.10464 
1 1 1   15    3   18 o   37.357   2.3815  165.719   20.899  154.100   29.516  177.400   29.595   35.888   3.5285   38.561   3.2813 -2.672665 4.818428 
1 1 1   15    3   19 o   61.364   3.5230  447.947   50.835  446.000   71.843  449.900   71.939   60.992   5.0332   61.264   5.0168 -0.2713776 7.106428 
1 1 1   15    3   20 o   27.451   2.0114   89.589   12.948   94.500   18.331   84.700   18.291   28.110   2.7988   26.575   2.9654 1.535116 4.077600 
1 1 1   15    3   21 o   58.017   3.3836  400.813   46.153  415.000   65.241  386.600   65.301   58.803   4.7387   56.704   4.9258 2.099087 6.835109 
1 1 1   15    3   22 o   93.057   5.2603  1040.42  115.117  1113.20  162.608  967.300  162.994   95.533   7.2626   88.773   7.8567 6.760094 10.69917 
1 1 1   15    3   23 o  185.511   10.825  4364.82  472.120  4634.20  666.732  4093.90  668.628  184.804   15.419  171.777   16.695 13.02684 22.72592 
1 1 1   15    3   24 o  122.491   6.7190  1832.63  193.601  2028.70  273.843  1636.70  273.744  127.093   9.1866  113.181   10.357 13.91154 13.84446 
1 1 1   15    3   25 o   96.427   5.3560  1125.90  121.474  1134.10  171.808  1117.70  171.773   95.541   7.6803   94.807   7.7403 0.7336960 10.90406 
1 1 1   15    3   26 o   21.043   2.6130   53.400   12.705   53.400   12.705   0.0000   0.0000   21.043   2.6130  ?   ?  0.000000 2.612973 
1 1 1   15    3   27 o   14.405   2.4102   25.300   7.9089   25.300   7.9089   0.0000   0.0000   14.405   2.4102  ?   ?  0.000000 2.410245 
1 1 1   15    3   28 o   29.953   3.0621  108.100   21.354  108.100   21.354   0.0000   0.0000   29.953   3.0621  ?   ?  0.000000 3.062114 
1 1 1   15    3   29 o   31.157   3.1357  117.100   22.757  117.100   22.757   0.0000   0.0000   31.157   3.1357  ?   ?  0.000000 3.135697 
1 1 1   15    3   30 o   18.770   2.5505   42.700   11.012   42.700   11.012   0.0000   0.0000   18.770   2.5505  ?   ?  0.000000 2.550493 
1 1 1   15    3   31 o   83.893   7.0333  896.200  138.044  896.200  138.044   0.0000   0.0000   83.893   7.0333  ?   ?  0.000000 7.033307 
1 1 1   15    3   32 o   44.123   3.9575  237.500   40.795  237.500   40.795   0.0000   0.0000   44.123   3.9575  ?   ?  0.000000 3.957486 
1 1 1   15    3   33 o   34.806   3.3721  147.500   27.368  147.500   27.368   0.0000   0.0000   34.806   3.3721  ?   ?  0.000000 3.372105 
1 1 1   15    3   34 o   6.8482   2.1748   5.5000   3.9521   5.5000   3.9521   0.0000   0.0000   6.8482   2.1748  ?   ?  0.000000 2.174828 
1 1 1   15    3   35 f   37.948   3.6009  177.500   31.881  177.500   31.881   0.0000   0.0000   37.948   3.6009  ?   ?  0.000000 3.600871 
1 1 1   15    3   36 o   7.3282   2.2007   6.5000   4.1139   6.5000   4.1139   0.0000   0.0000   7.3282   2.2007  ?   ?  0.000000 2.200671 
1 1 1   15    3   37 o   28.172   3.0355   97.700   19.875   97.700   19.875   0.0000   0.0000   28.172   3.0355  ?   ?  0.000000 3.035548 
1 1 1   15    3   38 o   19.856   2.6197   48.500   11.983   48.500   11.983   0.0000   0.0000   19.856   2.6197  ?   ?  0.000000 2.619720 
1 1 1   15    3   39 o   54.898   4.9837  393.100   63.901  393.100   63.901   0.0000   0.0000   54.898   4.9837  ?   ?  0.000000 4.983696 
1 1 1   15    3   40 o   36.275   3.5439  164.900   29.969  164.900   29.969   0.0000   0.0000   36.275   3.5439  ?   ?  0.000000 3.543945 
1 1 1   15    3   41 o   19.419   2.6325   46.700   11.761   46.700   11.761   0.0000   0.0000   19.419   2.6325  ?   ?  0.000000 2.632502 
1 1 1   15    3   42 o   22.649   2.7832   63.900   14.572   63.900   14.572   0.0000   0.0000   22.649   2.7832  ?   ?  0.000000 2.783208 
1 1 1   15    3   43 o   26.455   2.9940   88.100   18.374   88.100   18.374   0.0000   0.0000   26.455   2.9940  ?   ?  0.000000 2.994001 
1 1 1   15    3   44 o   24.264   2.8994   74.500   16.284   74.500   16.284   0.0000   0.0000   24.264   2.8994  ?   ?  0.000000 2.899420 
1 1 1   15    3   45 o   14.764   2.5386   27.700   8.5313   27.700   8.5313   0.0000   0.0000   14.764   2.5386  ?   ?  0.000000 2.538613 
1 1 1   15    3   46 o   18.050   2.6784   41.500   11.069   41.500   11.069   0.0000   0.0000   18.050   2.6784  ?   ?  0.000000 2.678370 
1 1 1   15    3   47 o   10.446   2.4457   14.100   5.9262   14.100   5.9262   0.0000   0.0000   10.446   2.4457  ?   ?  0.000000 2.445675 
1 1 1   15    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    3   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4    0 o  118.951   9.3255  1713.00  258.238  1713.00  258.238  1713.00  258.238  118.951   9.3255  118.951   9.3255 0.000000 0.000000 
1 1 1   15    4    1 o   59.475   3.4216  419.843   47.852  458.900   67.678  380.800   67.667   62.059   4.6522   56.437   5.1336 5.621685 6.927966 
1 1 1   15    4    2 o   47.538   2.7738  268.071   31.001  301.600   43.895  234.700   43.791   50.347   3.7184   44.318   4.2361 6.028851 5.636588 
1 1 1   15    4    3 o  211.375   11.235  5401.56  558.781  6297.60  790.387  4506.20  790.086  226.339   14.871  189.632   17.854 36.70718 23.23631 
1 1 1   15    4    4 o  118.114   6.0736  1661.77  168.825  1943.90  238.937  1380.50  238.573  127.383   7.9838  106.901   9.5516 20.48227 12.44881 
1 1 1   15    4    5 o   51.620   3.0115  316.164   36.548  349.100   51.716  283.300   51.659   54.147   4.0746   48.688   4.5458 5.458847 6.104604 
1 1 1   15    4    6 o  152.049   8.0762  2767.97  288.932  3209.70  408.695  2326.60  408.527  162.948   10.681  137.934   12.685 25.01419 16.58251 
1 1 1   15    4    7 o  169.347   8.6054  3438.39  342.987  4205.40  485.377  2673.40  484.738  186.428   11.075  147.327   14.106 39.10103 17.93451 
1 1 1   15    4    8 o  165.613   8.5271  3288.44  332.341  3784.50  470.290  2793.60  469.712  176.695   11.331  150.934   13.315 25.76070 17.48417 
1 1 1   15    4    9 f  147.823   7.6613  2614.08  266.511  2937.60  377.180  2291.50  376.628  155.927   10.302  137.151   11.742 18.77585 15.62099 
1 1 1   15    4   10 o   38.217   2.4534  173.348   22.024  174.900   31.170  171.800   31.122   38.288   3.4858   37.941   3.5137 0.3469162 4.949395 
1 1 1   15    4   11 o  180.265   9.2362  3909.33  391.835  4487.00  554.555  3333.40  553.722  191.807   12.309  164.214   14.426 27.59357 18.96356 
1 1 1   15    4   12 o   55.533   3.0823  365.933   40.260  425.700   57.041  306.600   56.833   59.810   4.0629   50.616   4.8130 9.194607 6.298531 
1 1 1   15    4   13 o  167.368   9.0536  3373.30  356.483  3585.80  504.086  3160.70  504.200  171.053   12.568  160.108   13.461 10.94476 18.41606 
1 1 1   15    4   14 o  100.306   5.4792  1199.15  129.288  1242.50  182.833  1155.80  182.850  101.658   7.6729   97.955   7.9743 3.703033 11.06631 
1 1 1   15    4   15 o   69.159   3.9232  568.572   63.805  610.500   90.211  526.600   90.258   71.466   5.3852   66.270   5.8269 5.195297 7.934335 
1 1 1   15    4   16 o   84.106   4.6785  842.381   92.549  871.100  130.814  813.600  130.956   85.189   6.5532   82.259   6.8029 2.929703 9.445840 
1 1 1   15    4   17 o  137.348   7.4638  2268.14  241.163  2386.70  341.005  2149.50  341.107  139.736   10.409  132.301   11.019 7.434555 15.15798 
1 1 1   15    4   18 o   4.2188   1.3845   2.0081   1.5935   2.4000   2.2310   1.6000   2.2767   4.7483   1.6386   4.3344   1.6332 0.4138689 2.313537 
1 1 1   15    4   19 o   55.495   3.1413  366.042   40.995  429.300   58.026  303.000   57.927   59.979   4.1219   50.203   4.9508 9.776108 6.442129 
1 1 1   15    4   20 f   88.995   4.8636  946.775  101.820  1090.00  144.033  803.700  143.958   95.079   6.4535   81.235   7.5926 13.84313 9.964755 
1 1 1   15    4   21 o   60.115   3.3235  430.168   46.996  497.700   66.552  363.000   66.372   64.490   4.3965   54.870   5.1840 9.619663 6.797245 
1 1 1   15    4   22 o   44.307   2.7485  233.616   28.615  237.900   40.391  229.300   40.544   44.542   3.8789   43.708   3.9717 0.8347054 5.551566 
1 1 1   15    4   23 o  125.229   7.0385  1914.09  207.292  2080.50  292.944  1747.20  293.367  128.719   9.7093  117.141   10.725 11.57807 14.46687 
1 1 1   15    4   24 o   93.061   5.1405  1044.86  112.525  1114.40  159.178  975.400  159.091   95.194   7.1331   88.753   7.6662 6.440857 10.47150 
1 1 1   15    4   25 o  122.996   6.8184  1858.12  197.259  1960.20  279.000  1756.10  278.932  124.031   9.6009  116.805   10.216 7.225693 14.01912 
1 1 1   15    4   26 o   70.250   3.8047  592.154   62.879  670.900   89.035  513.800   88.814   74.325   5.1040   64.698   5.8775 9.627213 7.784338 
1 1 1   15    4   27 o   66.147   5.4891  535.700   84.963  535.700   84.963   0.0000   0.0000   66.147   5.4891  ?   ?  0.000000 5.489121 
1 1 1   15    4   28 o   87.858   7.2467  970.000  149.000  970.000  149.000   0.0000   0.0000   87.858   7.2467  ?   ?  0.000000 7.246656 
1 1 1   15    4   29 o   84.855   7.0309  906.100  139.611  906.100  139.611   0.0000   0.0000   84.855   7.0309  ?   ?  0.000000 7.030856 
1 1 1   15    4   30 o   53.417   4.5856  348.600   57.281  348.600   57.281   0.0000   0.0000   53.417   4.5856  ?   ?  0.000000 4.585650 
1 1 1   15    4   31 o   56.165   4.8054  387.800   63.119  387.800   63.119   0.0000   0.0000   56.165   4.8054  ?   ?  0.000000 4.805383 
1 1 1   15    4   32 o   9.0388   2.3268   10.100   4.9957   10.100   4.9957   0.0000   0.0000   9.0388   2.3268  ?   ?  0.000000 2.326769 
1 1 1   15    4   33 o   13.434   2.4283   22.200   7.4195   22.200   7.4195   0.0000   0.0000   13.434   2.4283  ?   ?  0.000000 2.428338 
1 1 1   15    4   34 o   13.353   2.4566   22.000   7.4604   22.000   7.4604   0.0000   0.0000   13.353   2.4566  ?   ?  0.000000 2.456557 
1 1 1   15    4   35 f   46.746   4.2172  272.700   46.049  272.700   46.049   0.0000   0.0000   46.746   4.2172  ?   ?  0.000000 4.217162 
1 1 1   15    4   36 o   27.494   2.9816   92.700   19.048   92.700   19.048   0.0000   0.0000   27.494   2.9816  ?   ?  0.000000 2.981609 
1 1 1   15    4   37 o   10.344   2.4439   13.400   5.8748   13.400   5.8748   0.0000   0.0000   10.344   2.4439  ?   ?  0.000000 2.443929 
1 1 1   15    4   38 o   48.311   4.4222  297.700   49.888  297.700   49.888   0.0000   0.0000   48.311   4.4222  ?   ?  0.000000 4.422197 
1 1 1   15    4   39 o   43.630   4.0728  241.300   41.475  241.300   41.475   0.0000   0.0000   43.630   4.0728  ?   ?  0.000000 4.072785 
1 1 1   15    4   40 o   24.371   2.8389   73.400   16.032   73.400   16.032   0.0000   0.0000   24.371   2.8389  ?   ?  0.000000 2.838940 
1 1 1   15    4   41 f   15.374   2.5090   29.400   8.7940   29.400   8.7940   0.0000   0.0000   15.374   2.5090  ?   ?  0.000000 2.508995 
1 1 1   15    4   42 o   26.197   2.9670   85.800   18.030   85.800   18.030   0.0000   0.0000   26.197   2.9670  ?   ?  0.000000 2.966962 
1 1 1   15    4   43 o   16.913   2.6043   35.900   10.067   35.900   10.067   0.0000   0.0000   16.913   2.6043  ?   ?  0.000000 2.604320 
1 1 1   15    4   44 o   26.855   3.0376   91.700   18.924   91.700   18.924   0.0000   0.0000   26.855   3.0376  ?   ?  0.000000 3.037641 
1 1 1   15    4   45 o   8.5053   2.3556   9.2000   4.8931   9.2000   4.8931   0.0000   0.0000   8.5053   2.3556  ?   ?  0.000000 2.355580 
1 1 1   15    4   46 o   12.465   2.4929   19.900   7.0812   19.900   7.0812   0.0000   0.0000   12.465   2.4929  ?   ?  0.000000 2.492915 
1 1 1   15    4   47 o   11.625   2.6441   17.600   7.0943   17.600   7.0943   0.0000   0.0000   11.625   2.6441  ?   ?  0.000000 2.644092 
1 1 1   15    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    4   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5    0 f  184.354   14.381  4153.40  617.301  4153.40  617.301  4153.40  617.301  184.354   14.381  184.354   14.381 0.000000 0.000000 
1 1 1   15    5    1 o   96.890   5.3223  1116.99  121.303  1154.40  171.458  1079.50  171.639   98.148   7.4537   94.837   7.7316 3.310120 10.73945 
1 1 1   15    5    2 o   83.181   4.6229  822.382   90.446  866.600  127.864  778.100  127.956   85.142   6.4067   80.588   6.7872 4.553833 9.333372 
1 1 1   15    5    3 o   70.200   3.8015  584.963   62.780  670.500   88.856  499.700   88.714   75.029   5.0446   64.605   5.8796 10.42467 7.747088 
1 1 1   15    5    4 o  150.244   7.9815  2701.62  282.152  3093.00  399.114  2310.60  398.932  159.981   10.625  137.572   12.414 22.40858 16.34024 
1 1 1   15    5    5 o  215.870   11.648  5646.04  591.578  5710.40  836.648  5581.70  836.586  214.286   16.665  211.711   16.874 2.575317 23.71668 
1 1 1   15    5    6 o  129.520   6.6313  2000.92  202.133  2306.30  286.132  1696.70  285.589  138.565   8.7903  118.358   10.322 20.20650 13.55751 
1 1 1   15    5    7 o  177.662   9.8191  3800.97  410.334  4069.90  579.583  3530.70  581.019  182.274   13.563  169.173   14.690 13.10141 19.99387 
1 1 1   15    5    8 o  237.163   11.676  6802.39  653.912  8262.10  925.615  5348.00  923.928  258.853   15.210  205.409   19.274 53.44403 24.55239 
1 1 1   15    5    9 o  232.046   11.861  6537.06  647.732  7670.50  916.657  5406.70  915.408  248.911   15.676  206.580   18.978 42.33073 24.61473 
1 1 1   15    5   10 o  135.682   6.8972  2198.57  220.256  2525.30  311.813  1873.20  311.165  144.830   9.1647  124.190   10.716 20.63978 14.10016 
1 1 1   15    5   11 o   19.287   1.7151   44.292   7.7297   49.200   10.997   39.500   10.867   20.268   2.3408   18.092   2.6200 2.176399 3.513336 
1 1 1   15    5   12 o  208.010   11.077  5250.86  542.120  5715.60  766.953  4786.80  766.394  214.503   15.241  195.187   16.791 19.31552 22.67674 
1 1 1   15    5   13 o  260.507   13.716  8350.90  840.784  9488.50  1189.73  7215.90  1188.37  273.239   18.549  235.158   21.644 38.08138 28.50475 
1 1 1   15    5   14 o   86.704   4.6081  894.253   94.007  1012.20  133.057  776.700  132.835   92.002   6.1602   80.362   7.0721 11.64049 9.378829 
1 1 1   15    5   15 o  115.781   6.3403  1602.73  172.686  1741.80  244.146  1463.50  244.283  120.079   8.6686  109.754   9.5199 10.32529 12.87531 
1 1 1   15    5   16 o   14.710   1.6245   25.876   5.5484   30.500   7.8674   21.300   7.8261   15.919   2.1477   13.190   2.6050 2.729039 3.376196 
1 1 1   15    5   17 o   30.330   2.1149  109.279   15.052  123.100   21.303   95.500   21.271   32.128   2.8371   28.212   3.2524 3.915842 4.315942 
1 1 1   15    5   18 o   59.470   3.4533  420.568   48.286  456.500   68.270  384.600   68.304   61.784   4.7150   56.602   5.1674 5.181698 6.995212 
1 1 1   15    5   19 o   72.899   4.0746  633.221   69.860  684.600   98.824  581.900   98.769   75.516   5.5815   69.477   6.0815 6.038582 8.254595 
1 1 1   15    5   20 o  158.640   8.7160  3073.45  325.256  3287.80  459.930  2859.00  460.033  161.624   12.140  149.883   13.130 11.74075 17.88229 
1 1 1   15    5   21 o   31.142   1.9925  115.192   14.575  142.000   20.674   88.700   20.552   34.532   2.5535   27.146   3.2721 7.386072 4.150560 
1 1 1   15    5   22 o   91.946   5.1032  1015.66  110.363  1017.40  155.754  1013.90  156.401   91.216   7.2921   91.039   7.3376 0.1767960 10.34481 
1 1 1   15    5   23 o   38.192   2.4785  173.613   22.232  177.400   31.387  169.800   31.494   38.457   3.4944   37.601   3.5907 0.8566208 5.010359 
1 1 1   15    5   24 o   41.227   2.5870  202.438   25.057  211.100   35.460  193.800   35.411   41.933   3.6165   40.133   3.7812 1.799984 5.232258 
1 1 1   15    5   25 o  116.165   6.4005  1651.82  174.891  1820.50  247.389  1483.30  247.278  120.129   8.7819  107.499   9.8509 12.63081 13.19707 
1 1 1   15    5   26 o   37.957   2.3575  171.653   21.026  188.200   29.823  155.300   29.648   39.604   3.2168   35.885   3.5451 3.718235 4.787029 
1 1 1   15    5   27 f   68.227   3.7827  559.358   60.704  603.500   85.987  515.500   85.710   70.336   5.2143   64.791   5.6589 5.545052 7.694992 
1 1 1   15    5   28 o   11.895   2.3682   17.400   6.4183   17.400   6.4183   0.0000   0.0000   11.895   2.3682  ?   ?  0.000000 2.368225 
1 1 1   15    5   29 o   53.827   4.6069  353.400   57.992  353.400   57.992   0.0000   0.0000   53.827   4.6069  ?   ?  0.000000 4.606863 
1 1 1   15    5   30 o   54.958   4.6986  369.600   60.390  369.600   60.390   0.0000   0.0000   54.958   4.6986  ?   ?  0.000000 4.698595 
1 1 1   15    5   31 o   57.929   4.9346  413.500   66.858  413.500   66.858   0.0000   0.0000   57.929   4.9346  ?   ?  0.000000 4.934649 
1 1 1   15    5   32 o   39.587   3.6710  190.800   33.926  190.800   33.926   0.0000   0.0000   39.587   3.6710  ?   ?  0.000000 3.670971 
1 1 1   15    5   33 o   36.786   3.4932  165.100   29.979  165.100   29.979   0.0000   0.0000   36.786   3.4932  ?   ?  0.000000 3.493186 
1 1 1   15    5   34 o   33.742   3.3213  139.200   26.120  139.200   26.120   0.0000   0.0000   33.742   3.3213  ?   ?  0.000000 3.321332 
1 1 1   15    5   35 o   56.945   5.0218  412.700   66.836  412.700   66.836   0.0000   0.0000   56.945   5.0218  ?   ?  0.000000 5.021807 
1 1 1   15    5   36 o   36.292   3.5142  162.900   29.739  162.900   29.739   0.0000   0.0000   36.292   3.5142  ?   ?  0.000000 3.514196 
1 1 1   15    5   37 o   4.2362   1.6528   1.3000   2.3880   1.3000   2.3880   0.0000   0.0000   4.2362   1.6528  ?   ?  0.000000 1.652787 
1 1 1   15    5   38 o   15.199   2.5051   28.600   8.6775   28.600   8.6775   0.0000   0.0000   15.199   2.5051  ?   ?  0.000000 2.505053 
1 1 1   15    5   39 o   16.134   2.5123   32.200   9.2601   32.200   9.2601   0.0000   0.0000   16.134   2.5123  ?   ?  0.000000 2.512293 
1 1 1   15    5   40 f   38.768   3.7300  189.400   33.724  189.400   33.724   0.0000   0.0000   38.768   3.7300  ?   ?  0.000000 3.729951 
1 1 1   15    5   41 o   34.188   3.4264  146.900   27.289  146.900   27.289   0.0000   0.0000   34.188   3.4264  ?   ?  0.000000 3.426420 
1 1 1   15    5   42 o   18.423   2.6185   42.300   11.070   42.300   11.070   0.0000   0.0000   18.423   2.6185  ?   ?  0.000000 2.618451 
1 1 1   15    5   43 o   14.347   2.4994   25.900   8.1599   25.900   8.1599   0.0000   0.0000   14.347   2.4994  ?   ?  0.000000 2.499367 
1 1 1   15    5   44 o   22.167   2.7953   62.100   14.307   62.100   14.307   0.0000   0.0000   22.167   2.7953  ?   ?  0.000000 2.795334 
1 1 1   15    5   45 o   28.529   3.1643  104.800   20.958  104.800   20.958   0.0000   0.0000   28.529   3.1643  ?   ?  0.000000 3.164342 
1 1 1   15    5   46 o   9.5404   2.4207   11.700   5.4621   11.700   5.4621   0.0000   0.0000   9.5404   2.4207  ?   ?  0.000000 2.420661 
1 1 1   15    5   47 o   16.447   2.6769   34.800   10.039   34.800   10.039   0.0000   0.0000   16.447   2.6769  ?   ?  0.000000 2.676859 
1 1 1   15    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    5   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6    0 o  123.819   9.6976  1857.30  279.537  1857.30  279.537  1857.30  279.537  123.819   9.6976  123.819   9.6976 0.000000 0.000000 
1 1 1   15    6    1 o  135.958   7.2968  2208.42  233.407  2113.80  330.031  2303.10  330.143  132.122   10.669  138.090   10.197 -5.968826 14.75834 
1 1 1   15    6    2 o  385.326   21.606 18974.40  1957.96 18550.30  2763.93 19401.60  2774.04  364.167   32.482  373.770   31.730 -9.602875 45.40813 
1 1 1   15    6    3 o   99.764   5.4192  1184.48  127.187  1090.10  179.848  1278.90  179.891   95.226   8.0742  103.330   7.4221 -8.104027 10.96721 
1 1 1   15    6    4 o   63.476   3.5144  478.190   52.472  554.000   74.261  402.600   74.153   68.217   4.6376   57.990   5.4802 10.22728 7.179123 
1 1 1   15    6    5 o  289.688   13.711 10232.49  937.885 12985.80  1327.92  7492.00  1324.83  322.758   17.489  239.604   23.727 83.15462 29.47612 
1 1 1   15    6    6 o  192.450   7.5913  4417.23  344.983  6158.90  489.312  2695.80  486.459  226.735   9.1391  147.943   14.095 78.79256 16.79886 
1 1 1   15    6    7 o   87.847   4.9185  917.883  101.618  1010.80  143.607  824.700  143.814   91.930   6.6606   82.848   7.4301 9.081810 9.978488 
1 1 1   15    6    8 o  123.575   6.5066  1821.77  189.197  2014.90  267.723  1629.10  267.405  129.439   8.8116  116.051   9.8510 13.38725 13.21688 
1 1 1   15    6    9 o   91.094   4.7708  986.552  102.266  1153.10  144.756  820.600  144.496   98.271   6.2708   82.610   7.4888 15.66104 9.767498 
1 1 1   15    6   10 o   59.957   3.4420  426.790   48.527  437.600   68.658  416.000   68.598   60.552   4.8423   59.012   4.9690 1.540279 6.938197 
1 1 1   15    6   11 o  116.744   6.1132  1625.54  167.938  1830.70  237.684  1421.00  237.318  123.432   8.2014  108.376   9.3653 15.05537 12.44880 
1 1 1   15    6   12 o  174.696   9.4230  3679.75  387.277  3681.60  547.737  3677.90  547.649  172.861   13.527  172.771   13.532 0.9020996E-01 19.13316 
1 1 1   15    6   13 o   39.118   2.4996  181.650   22.968  196.400   32.482  166.900   32.482   40.591   3.4207   37.358   3.7321 3.233818 5.062609 
1 1 1   15    6   14 o  127.534   6.8856  1946.83  206.593  1872.80  292.136  2020.90  292.198  124.127   10.053  129.111   9.6539 -4.984085 13.93789 
1 1 1   15    6   15 o  128.394   6.6929  1973.12  202.216  2264.30  286.165  1682.70  285.789  136.875   8.9022  117.390   10.418 19.48527 13.70357 
1 1 1   15    6   16 o   91.118   4.8418  989.165  103.804  1091.90  146.969  886.900  146.632   95.398   6.5641   85.758   7.3107 9.639290 9.825191 
1 1 1   15    6   17 o   88.205   4.4823  926.439   93.053  1139.80  131.770  714.200  131.424   97.610   5.7422   76.829   7.3332 20.78124 9.313904 
1 1 1   15    6   18 o   99.334   5.4946  1180.32  128.383  1298.90  181.510  1061.60  181.613  103.666   7.4648   93.397   8.3220 10.26902 11.17936 
1 1 1   15    6   19 o   65.495   3.7316  510.800   57.473  578.800   81.279  442.800   81.279   69.512   4.9848   60.596   5.7492 8.916397 7.609292 
1 1 1   15    6   20 o  150.246   8.0437  2747.40  284.344  3159.90  402.269  2335.50  401.976  159.325   10.755  135.490   12.713 23.83440 16.65198 
1 1 1   15    6   21 o   23.050   1.8913   63.262   10.203   60.200   14.459   66.300   14.401   22.364   2.7992   23.509   2.6398 -1.145521 3.847591 
1 1 1   15    6   22 o   79.042   4.4893  748.598   83.446  778.900  117.820  718.100  118.202   80.081   6.2809   76.767   6.5843 3.314201 9.099641 
1 1 1   15    6   23 o   63.173   3.6887  477.026   54.787  510.200   77.393  443.700   77.569   64.991   5.0834   60.465   5.4927 4.526569 7.484050 
1 1 1   15    6   24 o  141.568   7.7522  2479.13  258.164  2827.40  365.215  2131.30  364.983  148.473   10.484  126.919   12.334 21.55412 16.18796 
1 1 1   15    6   25 o   50.812   2.9955  308.208   35.783  343.800   50.634  272.700   50.575   53.444   4.0421   47.430   4.5723 6.014118 6.102822 
1 1 1   15    6   26 o   82.835   4.6021  829.182   89.663  878.300  126.892  780.200  126.715   84.363   6.4178   79.257   6.8376 5.106880 9.377639 
1 1 1   15    6   27 o   22.478   1.7717   60.221   9.3275   67.200   13.267   53.400   13.117   23.665   2.4077   21.017   2.7058 2.648127 3.621905 
1 1 1   15    6   28 o   66.276   3.7907  528.836   59.078  551.700   83.573  506.000   83.524   67.081   5.3196   64.110   5.5726 2.970596 7.704091 
1 1 1   15    6   29 o   61.240   5.1551  460.500   73.855  460.500   73.855   0.0000   0.0000   61.240   5.1551  ?   ?  0.000000 5.155150 
1 1 1   15    6   30 o   48.661   4.2511  288.500   48.358  288.500   48.358   0.0000   0.0000   48.661   4.2511  ?   ?  0.000000 4.251145 
1 1 1   15    6   31 o   31.304   3.1513  118.600   22.978  118.600   22.978   0.0000   0.0000   31.304   3.1513  ?   ?  0.000000 3.151328 
1 1 1   15    6   32 o   48.721   4.2882  291.400   48.832  291.400   48.832   0.0000   0.0000   48.721   4.2882  ?   ?  0.000000 4.288176 
1 1 1   15    6   33 o   20.498   2.6183   51.100   12.384   51.100   12.384   0.0000   0.0000   20.498   2.6183  ?   ?  0.000000 2.618317 
1 1 1   15    6   34 o   26.146   2.8824   83.300   17.500   83.300   17.500   0.0000   0.0000   26.146   2.8824  ?   ?  0.000000 2.882439 
1 1 1   15    6   35 o   31.839   3.2182  124.400   23.863  124.400   23.863   0.0000   0.0000   31.839   3.2182  ?   ?  0.000000 3.218189 
1 1 1   15    6   36 o   41.699   3.8750  216.800   37.719  216.800   37.719   0.0000   0.0000   41.699   3.8750  ?   ?  0.000000 3.874994 
1 1 1   15    6   37 o   9.2606   2.4975   10.700   5.5866   10.700   5.5866   0.0000   0.0000   9.2606   2.4975  ?   ?  0.000000 2.497522 
1 1 1   15    6   38 o   10.645   2.4205   14.200   5.9467   14.200   5.9467   0.0000   0.0000   10.645   2.4205  ?   ?  0.000000 2.420542 
1 1 1   15    6   39 o   33.959   3.4012  143.700   26.907  143.700   26.907   0.0000   0.0000   33.959   3.4012  ?   ?  0.000000 3.401196 
1 1 1   15    6   40 o   26.864   2.9818   89.400   18.596   89.400   18.596   0.0000   0.0000   26.864   2.9818  ?   ?  0.000000 2.981825 
1 1 1   15    6   41 o   13.025   2.5297   21.300   7.4997   21.300   7.4997   0.0000   0.0000   13.025   2.5297  ?   ?  0.000000 2.529667 
1 1 1   15    6   42 o   26.049   2.9462   84.900   17.803   84.900   17.803   0.0000   0.0000   26.049   2.9462  ?   ?  0.000000 2.946196 
1 1 1   15    6   43 o   11.985   2.4696   18.200   6.7566   18.200   6.7566   0.0000   0.0000   11.985   2.4696  ?   ?  0.000000 2.469638 
1 1 1   15    6   44 o   18.008   2.6079   40.900   10.767   40.900   10.767   0.0000   0.0000   18.008   2.6079  ?   ?  0.000000 2.607852 
1 1 1   15    6   45 o   1.8005   0.8776  -2.2000   1.2081  -2.2000   1.2081   0.0000   0.0000   1.8005   0.8776  ?   ?  0.000000 0.8775834 
1 1 1   15    6   46 o   30.098   3.2851  117.800   22.969  117.800   22.969   0.0000   0.0000   30.098   3.2851  ?   ?  0.000000 3.285118 
1 1 1   15    6   47 o   8.3918   2.4495   9.0000   5.1558   9.0000   5.1558   0.0000   0.0000   8.3918   2.4495  ?   ?  0.000000 2.449508 
1 1 1   15    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    6   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7    0 o  134.345   10.497  2189.40  328.330  2189.40  328.330  2189.40  328.330  134.345   10.497  134.345   10.497 0.000000 0.000000 
1 1 1   15    7    1 o  188.724   9.9772  4288.59  443.048  4665.50  626.825  3912.30  626.303  195.227   13.684  178.037   15.038 17.19034 20.33185 
1 1 1   15    7    2 o  178.751   9.6589  3843.88  406.185  3932.30  574.159  3755.30  574.705  179.156   13.675  174.888   14.035 4.267776 19.59535 
1 1 1   15    7    3 o  198.134   10.729  4740.42  500.104  5065.80  707.127  4414.80  707.381  202.805   14.869  188.623   16.034 14.18187 21.86732 
1 1 1   15    7    4 o  108.720   5.7133  1407.32  146.162  1592.20  206.861  1223.00  206.547  115.295   7.6414  100.736   8.7705 14.55910 11.63243 
1 1 1   15    7    5 o  303.428   16.816 11439.83  1200.15 11867.00  1696.81 11012.20  1697.74  301.423   24.039  289.055   25.123 12.36832 34.77128 
1 1 1   15    7    6 o  168.450   8.2079  3390.20  326.486  4332.40  462.200  2451.90  461.242  189.494   10.369  141.044   14.035 48.44948 17.44981 
1 1 1   15    7    7 o  132.920   6.9788  2110.02  218.280  2311.20  308.906  1909.40  308.483  138.473   9.5046  125.509   10.505 12.96441 14.16683 
1 1 1   15    7    8 o  171.207   9.1702  3524.17  369.388  3424.90  522.171  3623.60  522.615  167.106   13.344  172.094   12.955 -4.987640 18.59873 
1 1 1   15    7    9 o  119.813   6.1778  1711.64  174.188  1969.10  246.561  1455.10  246.117  128.074   8.1957  109.660   9.6013 18.41447 12.62351 
1 1 1   15    7   10 o   98.374   5.3495  1152.38  123.801  1194.70  175.132  1110.10  175.029   99.771   7.4882   96.090   7.7806 3.680641 10.79870 
1 1 1   15    7   11 o  110.309   5.8417  1450.69  151.623  1605.60  214.570  1296.20  214.285  115.615   7.9069  103.590   8.8450 12.02504 11.86395 
1 1 1   15    7   12 o  139.421   7.5049  2328.73  246.169  2398.80  348.194  2258.70  348.077  140.525   10.571  136.211   10.913 4.313675 15.19344 
1 1 1   15    7   13 o   46.805   2.7859  260.011   30.652  296.000   43.372  224.100   43.324   49.858   3.7105   43.268   4.2972 6.589935 5.677520 
1 1 1   15    7   14 o   97.314   5.2656  1128.74  120.548  1220.60  170.537  1037.00  170.425  100.802   7.2121   92.718   7.8580 8.084808 10.66602 
1 1 1   15    7   15 o  225.262   11.902  6223.91  630.858  6957.40  892.680  5492.10  891.656  234.521   16.219  206.199   18.510 28.32269 24.61032 
1 1 1   15    7   16 f  122.251   6.5354  1790.61  187.980  1930.60  265.974  1650.90  265.715  126.154   8.9872  116.325   9.7638 9.828415 13.27032 
1 1 1   15    7   17 o   88.995   4.7301  944.238   99.046  1066.90  140.193  822.000  139.951   94.266   6.3349   82.460   7.2615 11.80621 9.636376 
1 1 1   15    7   18 o   93.157   4.8548  1035.93  106.424  1259.40  150.649  813.300  150.365  102.386   6.2611   81.745   7.8877 20.64130 10.07064 
1 1 1   15    7   19 o  178.265   9.8310  3907.31  412.233  4155.00  582.920  3659.50  583.051  180.457   13.784  168.337   14.819 12.11955 20.23839 
1 1 1   15    7   20 o   71.846   4.0345  615.880   68.169  664.300   96.426  567.500   96.387   74.292   5.5362   68.513   6.0188 5.779785 8.177757 
1 1 1   15    7   21 o   67.691   3.9417  547.234   62.732  593.300   88.589  500.900   88.845   70.156   5.3887   64.286   5.9191 5.869286 8.004653 
1 1 1   15    7   22 o   76.659   4.4771  704.563   80.691  785.100  113.929  623.500  114.300   80.448   6.0414   71.356   6.8684 9.092270 9.147323 
1 1 1   15    7   23 o  109.295   6.1666  1451.84  158.500  1514.40  223.731  1388.80  224.578  110.123   8.6739  105.121   9.1382 5.002846 12.59929 
1 1 1   15    7   24 o   62.859   3.5869  472.667   53.020  517.600   75.009  427.800   74.955   65.434   4.8899   59.293   5.4131 6.140217 7.294729 
1 1 1   15    7   25 o  112.128   6.2162  1539.55  163.944  1668.60  231.893  1410.60  231.810  114.898   8.6096  104.888   9.4611 10.00980 12.79212 
1 1 1   15    7   26 o   78.842   4.4474  750.498   82.461  744.000  116.604  757.000  116.631   77.582   6.4226   78.293   6.3636 -0.7104950 9.041366 
1 1 1   15    7   27 o  106.870   5.9858  1404.19  150.449  1466.70  212.778  1341.70  212.757  107.136   8.4799  102.039   8.9195 5.097389 12.30714 
1 1 1   15    7   28 o   41.545   2.6009  206.189   25.387  213.000   35.932  199.400   35.874   41.993   3.6602   40.588   3.7868 1.405167 5.266563 
1 1 1   15    7   29 o   88.782   4.8662  961.488  101.629  1072.90  143.830  850.400  143.621   92.560   6.6244   81.679   7.5313 10.88164 10.03005 
1 1 1   15    7   30 o   38.147   2.4176  173.902   21.664  154.400   30.601  193.500   30.676   35.642   3.6892   40.054   3.2719 -4.412018 4.931092 
1 1 1   15    7   31 o   53.241   4.6008  348.200   57.274  348.200   57.274   0.0000   0.0000   53.241   4.6008  ?   ?  0.000000 4.600831 
1 1 1   15    7   32 o   53.127   4.6092  348.600   57.250  348.600   57.250   0.0000   0.0000   53.127   4.6092  ?   ?  0.000000 4.609160 
1 1 1   15    7   33 o   37.686   3.5588  173.700   31.295  173.700   31.295   0.0000   0.0000   37.686   3.5588  ?   ?  0.000000 3.558781 
1 1 1   15    7   34 o   14.651   2.4546   26.400   8.1914   26.400   8.1914   0.0000   0.0000   14.651   2.4546  ?   ?  0.000000 2.454571 
1 1 1   15    7   35 o   40.001   3.7528  198.200   35.033  198.200   35.033   0.0000   0.0000   40.001   3.7528  ?   ?  0.000000 3.752787 
1 1 1   15    7   36 o   34.976   3.4329  151.300   27.987  151.300   27.987   0.0000   0.0000   34.976   3.4329  ?   ?  0.000000 3.432884 
1 1 1   15    7   37 o   39.180   3.7773  192.100   34.514  192.100   34.514   0.0000   0.0000   39.180   3.7773  ?   ?  0.000000 3.777335 
1 1 1   15    7   38 o   32.802   3.3070  133.500   25.266  133.500   25.266   0.0000   0.0000   32.802   3.3070  ?   ?  0.000000 3.307025 
1 1 1   15    7   39 o   6.3283   2.1807   4.4000   3.9506   4.4000   3.9506   0.0000   0.0000   6.3283   2.1807  ?   ?  0.000000 2.180719 
1 1 1   15    7   40 o   24.919   2.8691   76.800   16.574   76.800   16.574   0.0000   0.0000   24.919   2.8691  ?   ?  0.000000 2.869143 
1 1 1   15    7   41 o   54.708   5.1043  401.500   65.178  401.500   65.178   0.0000   0.0000   54.708   5.1043  ?   ?  0.000000 5.104268 
1 1 1   15    7   42 o   16.888   2.6103   35.700   10.074   35.700   10.074   0.0000   0.0000   16.888   2.6103  ?   ?  0.000000 2.610301 
1 1 1   15    7   43 o   27.637   3.0670   96.600   19.678   96.600   19.678   0.0000   0.0000   27.637   3.0670  ?   ?  0.000000 3.066968 
1 1 1   15    7   44 o   5.8828   2.0565   3.8000   3.5194   3.8000   3.5194   0.0000   0.0000   5.8828   2.0565  ?   ?  0.000000 2.056491 
1 1 1   15    7   45 o   20.386   2.7350   52.800   12.834   52.800   12.834   0.0000   0.0000   20.386   2.7350  ?   ?  0.000000 2.734968 
1 1 1   15    7   46 o   7.6224   2.2527   7.3000   4.3367   7.3000   4.3367   0.0000   0.0000   7.6224   2.2527  ?   ?  0.000000 2.252704 
1 1 1   15    7   47 o   21.520   2.9784   60.200   14.730   60.200   14.730   0.0000   0.0000   21.520   2.9784  ?   ?  0.000000 2.978443 
1 1 1   15    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    7   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8    0 o   79.721   6.4212  767.500  119.076  767.500  119.076  767.500  119.076   79.721   6.4212   79.721   6.4212 0.000000 0.000000 
1 1 1   15    8    1 f  118.217   6.2953  1666.02  175.102  1799.00  247.753  1533.30  247.512  122.354   8.6304  112.726   9.3837 9.628815 12.74901 
1 1 1   15    8    2 o  158.271   8.5020  3003.19  316.586  3062.40  447.774  2944.00  447.666  158.633   12.044  155.422   12.298 3.211533 17.21322 
1 1 1   15    8    3 o  161.532   8.7394  3130.64  332.110  3217.00  469.430  3044.10  469.921  162.489   12.326  157.883   12.712 4.605301 17.70703 
1 1 1   15    8    4 o  218.057   11.752  5765.95  602.909  5968.90  852.743  5563.10  852.542  219.046   16.610  211.005   17.262 8.040466 23.95511 
1 1 1   15    8    5 o   94.413   5.0705  1060.27  112.630  1227.70  159.346  893.100  159.218  101.351   6.6958   86.142   7.9159 15.20953 10.36804 
1 1 1   15    8    6 o  130.972   6.3434  2040.11  196.185  2508.40  277.818  1574.30  277.080  144.662   8.1662  113.908   10.417 30.75404 13.23598 
1 1 1   15    8    7 o  262.021   13.935  8417.90  859.074  9788.00  1215.36  7049.80  1214.47  278.670   18.576  233.062   22.341 45.60783 29.05505 
1 1 1   15    8    8 o  112.070   5.7357  1495.98  151.280  1769.30  214.144  1223.70  213.740  121.545   7.4978  100.629   9.0933 20.91624 11.78578 
1 1 1   15    8    9 o  172.435   8.9204  3574.32  361.981  4056.80  512.251  3093.10  511.587  182.472   11.954  158.392   13.816 24.08051 18.27026 
1 1 1   15    8   10 o   72.954   3.9654  632.259   68.056  716.100   96.328  548.700   96.165   77.480   5.2968   67.649   6.0851 9.830849 8.067446 
1 1 1   15    8   11 o  109.307   5.7213  1424.10  147.161  1602.90  208.292  1245.90  207.943  115.564   7.6765  101.559   8.7565 14.00529 11.64494 
1 1 1   15    8   12 o  148.736   7.8935  2654.26  276.242  2911.20  390.808  2397.70  390.522  154.753   10.761  139.905   11.935 14.84836 16.07033 
1 1 1   15    8   13 o  102.147   5.3760  1243.57  129.217  1392.10  182.916  1095.60  182.566  107.698   7.2346   95.253   8.1965 12.44430 10.93258 
1 1 1   15    8   14 o  170.124   9.2731  3499.58  371.116  3730.80  524.693  3268.10  524.984  173.807   12.876  162.057   13.852 11.75037 18.91194 
1 1 1   15    8   15 o   92.604   4.9440  1021.98  107.720  1140.30  152.450  904.000  152.229   97.477   6.6631   86.535   7.5246 10.94164 10.05072 
1 1 1   15    8   16 o   97.491   5.3411  1134.95  122.490  1131.60  173.229  1138.30  173.225   96.781   7.6422   97.075   7.6180 -0.2945633 10.79063 
1 1 1   15    8   17 o   61.955   3.3651  456.215   49.045  515.800   69.498  397.100   69.224   65.724   4.5052   57.518   5.1513 8.206261 6.843461 
1 1 1   15    8   18 o   79.747   4.4343  758.694   83.174  772.700  117.649  744.700  117.602   80.075   6.2722   78.571   6.3940 1.504326 8.956758 
1 1 1   15    8   19 o   61.366   3.2725  447.874   47.249  529.700   66.955  366.700   66.687   66.589   4.2808   55.184   5.1782 11.40485 6.718512 
1 1 1   15    8   20 o   80.244   4.4811  770.003   84.571  775.200  119.561  764.800  119.641   80.001   6.3820   79.443   6.4329 0.5575256 9.061586 
1 1 1   15    8   21 o  138.303   7.5987  2337.41  247.209  2318.20  348.760  2356.80  350.460  135.261   11.015  136.424   10.972 -1.163513 15.54688 
1 1 1   15    8   22 o   43.509   2.7404  225.450   28.012  239.700   39.545  211.100   39.683   44.699   3.7820   41.874   4.0645 2.825230 5.551931 
1 1 1   15    8   23 o   57.912   3.4455  400.741   46.904  432.900   66.239  368.400   66.427   59.895   4.7217   55.103   5.1654 4.791565 6.998295 
1 1 1   15    8   24 f   58.480   3.3194  408.672   45.649  461.900   64.635  355.700   64.480   61.898   4.4518   54.092   5.1086 7.806343 6.776182 
1 1 1   15    8   25 o   73.360   4.1158  647.340   71.009  717.200  100.465  577.600  100.378   76.647   5.5894   68.443   6.2809 8.203888 8.407790 
1 1 1   15    8   26 o  112.366   6.1246  1551.16  161.895  1786.10  229.073  1316.70  228.836  118.789   8.2170  100.545   9.7614 18.24468 12.75945 
1 1 1   15    8   27 o   8.0193   1.4825   7.8532   2.7038   11.700   3.9312   4.4000   3.7247   9.7893   1.7656   6.3011   2.1183 3.488187 2.757656 
1 1 1   15    8   28 o   4.2447   1.4019   2.0259   1.6328   2.2000   2.5209   1.9000   2.1430   4.7700   1.7324   4.4157   1.5983 0.3543696 2.357054 
1 1 1   15    8   29 o   37.615   2.3747  168.935   20.984  187.600   29.728  150.400   29.624   39.470   3.2176   35.217   3.6135 4.252678 4.838393 
1 1 1   15    8   30 o   96.239   5.2915  1141.24  119.791  1282.20  169.536  1000.70  169.284  100.274   7.2080   87.499   8.2921 12.77492 10.98701 
1 1 1   15    8   31 o   48.638   2.7652  283.654   31.628  326.600   44.831  241.100   44.626   51.905   3.6816   44.333   4.3177 7.572216 5.674170 
1 1 1   15    8   32 o   14.189   2.4370   24.700   7.8709   24.700   7.8709   0.0000   0.0000   14.189   2.4370  ?   ?  0.000000 2.436972 
1 1 1   15    8   33 o   70.867   6.1198  646.900  101.404  646.900  101.404   0.0000   0.0000   70.867   6.1198  ?   ?  0.000000 6.119753 
1 1 1   15    8   34 o   33.975   3.3461  141.600   26.497  141.600   26.497   0.0000   0.0000   33.975   3.3461  ?   ?  0.000000 3.346123 
1 1 1   15    8   35 o   34.334   3.3814  145.200   27.059  145.200   27.059   0.0000   0.0000   34.334   3.3814  ?   ?  0.000000 3.381383 
1 1 1   15    8   36 o   40.933   3.8326  209.200   36.613  209.200   36.613   0.0000   0.0000   40.933   3.8326  ?   ?  0.000000 3.832579 
1 1 1   15    8   37 o   49.820   4.5298  317.000   52.708  317.000   52.708   0.0000   0.0000   49.820   4.5298  ?   ?  0.000000 4.529815 
1 1 1   15    8   38 o   27.454   2.9842   93.000   19.035   93.000   19.035   0.0000   0.0000   27.454   2.9842  ?   ?  0.000000 2.984212 
1 1 1   15    8   39 o   19.996   2.6331   49.300   12.130   49.300   12.130   0.0000   0.0000   19.996   2.6331  ?   ?  0.000000 2.633057 
1 1 1   15    8   40 o   27.526   3.0111   94.000   19.253   94.000   19.253   0.0000   0.0000   27.526   3.0111  ?   ?  0.000000 3.011126 
1 1 1   15    8   41 o   24.197   2.8588   72.900   16.019   72.900   16.019   0.0000   0.0000   24.197   2.8588  ?   ?  0.000000 2.858764 
1 1 1   15    8   42 o   15.789   2.5189   31.200   9.0755   31.200   9.0755   0.0000   0.0000   15.789   2.5189  ?   ?  0.000000 2.518883 
1 1 1   15    8   43 o   5.5653   2.0581   3.0000   3.5825   3.0000   3.5825   0.0000   0.0000   5.5653   2.0581  ?   ?  0.000000 2.058133 
1 1 1   15    8   44 o   7.1330   2.2490   6.2000   4.2322   6.2000   4.2322   0.0000   0.0000   7.1330   2.2490  ?   ?  0.000000 2.249022 
1 1 1   15    8   45 o   13.436   2.4807   23.000   7.5809   23.000   7.5809   0.0000   0.0000   13.436   2.4807  ?   ?  0.000000 2.480687 
1 1 1   15    8   46 o   16.671   2.6782   35.600   10.186   35.600   10.186   0.0000   0.0000   16.671   2.6782  ?   ?  0.000000 2.678242 
1 1 1   15    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    8   53 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9    0 o   25.519   2.9108   79.900   16.951   79.900   16.951   79.900   16.951   25.519   2.9108   25.519   2.9108 0.000000 0.000000 
1 1 1   15    9    1 o  128.481   6.8621  1970.60  207.434  2149.20  293.441  1792.20  293.271  133.579   9.3621  121.661   10.305 11.91779 13.92284 
1 1 1   15    9    2 o   95.350   5.0600  1081.30  113.521  1222.90  160.658  940.100  160.428  101.142   6.7658   88.433   7.7610 12.70906 10.29609 
1 1 1   15    9    3 o  231.467   12.521  6520.10  681.804  7080.40  964.262  5959.90  964.171  238.099   17.268  217.114   18.998 20.98474 25.67264 
1 1 1   15    9    4 f   82.118   4.3113  801.027   83.308  1018.00  117.931  584.900  117.701   92.453   5.4257   69.687   7.2592 22.76643 9.062785 
1 1 1   15    9    5 o  119.666   6.4623  1708.49  181.931  1899.60  257.297  1517.40  257.281  125.681   8.7237  111.974   9.8298 13.70708 13.14265 
1 1 1   15    9    6 o   56.947   3.2401  384.873   43.391  464.900   61.393  305.000   61.334   62.510   4.1834   50.431   5.2263 12.07814 6.694359 
1 1 1   15    9    7 o  153.572   7.6502  2815.59  277.426  3251.10  392.911  2382.60  391.771  164.026   10.195  139.684   11.994 24.34235 15.74111 
1 1 1   15    9    8 o   81.076   4.4079  781.333   84.072  930.400  118.942  632.500  118.849   88.304   5.7353   72.512   7.0293 15.79194 9.072150 
1 1 1   15    9    9 o   15.641   1.5224   29.170   5.5515   40.700   7.9321   18.100   7.7724   18.468   1.8435   12.131   2.7737 6.337524 3.330433 
1 1 1   15    9   10 o   20.241   1.5480   48.680   7.3429   65.800   10.469   32.100   10.302   23.522   1.9010   16.248   2.7854 7.273960 3.372260 
1 1 1   15    9   11 o   57.379   3.1247  390.677   42.178  468.100   59.735  313.700   59.562   62.726   4.0546   51.170   4.9930 11.55605 6.431939 
1 1 1   15    9   12 o  126.172   6.5742  1903.11  195.191  2148.50  276.264  1658.50  275.821  133.442   8.8171  116.761   10.103 16.68034 13.40968 
1 1 1   15    9   13 o  255.933   13.819  8112.36  832.064  8890.60  1177.20  7335.40  1176.23  262.482   19.124  235.892   21.348 26.59079 28.66112 
1 1 1   15    9   14 o   50.797   2.9952  306.418   35.768  322.800   50.632  290.100   50.534   52.007   4.1576   49.253   4.3911 2.754120 6.047118 
1 1 1   15    9   15 o  100.793   5.3386  1212.49  126.610  1354.60  179.188  1070.80  178.919  106.101   7.1945   94.020   8.1392 12.08109 10.86309 
1 1 1   15    9   16 o   79.589   4.3297  754.487   81.067  827.300  114.734  681.900  114.557   83.055   5.8883   75.227   6.5132 7.828072 8.780272 
1 1 1   15    9   17 o   78.482   4.2840  734.099   79.092  799.800  111.940  668.600  111.767   81.609   5.8475   74.445   6.4207 7.163994 8.684416 
1 1 1   15    9   18 o   36.612   2.2264  159.155   19.157  189.600   27.179  129.100   27.005   39.902   2.9045   32.797   3.5432 7.104343 4.581551 
1 1 1   15    9   19 o   83.958   4.6393  842.826   91.620  882.700  129.610  803.000  129.531   85.430   6.4730   81.356   6.8050 4.073128 9.391884 
1 1 1   15    9   20 o  110.123   5.8262  1460.72  150.965  1658.90  213.645  1263.10  213.349  116.478   7.8129  100.972   9.0438 15.50629 11.95123 
1 1 1   15    9   21 o   54.402   3.1805  352.695   40.680  345.000   57.326  360.500   57.736   53.537   4.5786   54.751   4.5057 -1.213989 6.423823 
1 1 1   15    9   22 o   24.227   1.9397   69.918   11.004   83.200   15.551   56.600   15.572   26.370   2.5285   21.602   3.1452 4.767918 4.035496 
1 1 1   15    9   23 o   70.246   4.1212  591.968   68.061  680.700   96.135  502.800   96.371   74.906   5.4729   63.966   6.4691 10.94016 8.473619 
1 1 1   15    9   24 o   93.006   5.1842  1047.69  113.404  1091.90  160.391  1003.50  160.364   93.817   7.2974   89.710   7.6430 4.107460 10.56728 
1 1 1   15    9   25 o   51.217   2.9948  313.419   36.061  346.500   51.061  280.500   50.936   53.603   4.0643   48.066   4.5415 5.536377 6.094523 
1 1 1   15    9   26 o   73.597   4.1396  652.850   71.650  716.500  101.369  589.300  101.288   76.452   5.6552   68.996   6.2859 7.456329 8.455384 
1 1 1   15    9   27 o   74.149   4.1929  664.074   73.113  713.700  103.425  614.500  103.370   76.113   5.7980   70.338   6.2900 5.775574 8.554594 
1 1 1   15    9   28 f   47.692   2.8978  272.297   32.480  288.300   45.938  256.300   45.929   48.773   4.0246   45.887   4.2885 2.886185 5.881225 
1 1 1   15    9   29 o   84.322   4.6563  866.180   92.354  969.000  130.717  763.700  130.500   88.077   6.3272   77.512   7.2127 10.56507 9.594595 
1 1 1   15    9   30 o   30.621   2.0471  111.893   14.716  129.300   20.877   94.700   20.748   32.801   2.7198   27.932   3.2037 4.869766 4.202523 
1 1 1   15    9   31 o   14.018   1.5654   23.585   5.0932   27.200   7.2702   20.100   7.1374   14.977   2.1145   12.773   2.4556 2.204147 3.240523 
1 1 1   15    9   32 o   27.676   2.0842   91.729   13.521   85.800   19.169   97.600   19.074   26.527   3.1197   28.375   2.8869 -1.847868 4.250512 
1 1 1   15    9   33 o   37.444   2.3993  168.442   21.103  184.600   29.898  152.400   29.790   38.921   3.2838   35.213   3.6350 3.707996 4.898605 
1 1 1   15    9   34 o   43.254   3.9662  232.200   40.059  232.200   40.059   0.0000   0.0000   43.254   3.9662  ?   ?  0.000000 3.966159 
1 1 1   15    9   35 o   35.010   3.4231  151.200   27.937  151.200   27.937   0.0000   0.0000   35.010   3.4231  ?   ?  0.000000 3.423090 
1 1 1   15    9   36 o   59.365   5.3074  458.900   73.616  458.900   73.616   0.0000   0.0000   59.365   5.3074  ?   ?  0.000000 5.307383 
1 1 1   15    9   37 o   23.444   2.7871   67.600   15.127   67.600   15.127   0.0000   0.0000   23.444   2.7871  ?   ?  0.000000 2.787097 
1 1 1   15    9   38 o   17.387   2.5407   37.300   10.123   37.300   10.123   0.0000   0.0000   17.387   2.5407  ?   ?  0.000000 2.540730 
1 1 1   15    9   39 o   21.922   2.7252   59.300   13.803   59.300   13.803   0.0000   0.0000   21.922   2.7252  ?   ?  0.000000 2.725201 
1 1 1   15    9   40 o   24.346   2.8316   73.400   15.975   73.400   15.975   0.0000   0.0000   24.346   2.8316  ?   ?  0.000000 2.831605 
1 1 1   15    9   41 o   16.731   2.5689   34.900   9.8245   34.900   9.8245   0.0000   0.0000   16.731   2.5689  ?   ?  0.000000 2.568854 
1 1 1   15    9   42 o   11.479   2.4703   16.700   6.4976   16.700   6.4976   0.0000   0.0000   11.479   2.4703  ?   ?  0.000000 2.470311 
1 1 1   15    9   43 o   26.424   3.0095   88.500   18.443   88.500   18.443   0.0000   0.0000   26.424   3.0095  ?   ?  0.000000 3.009510 
1 1 1   15    9   44 o   24.791   2.9192   78.200   16.762   78.200   16.762   0.0000   0.0000   24.791   2.9192  ?   ?  0.000000 2.919218 
1 1 1   15    9   45 o   6.4502   2.1372   4.9000   3.7936   4.9000   3.7936   0.0000   0.0000   6.4502   2.1372  ?   ?  0.000000 2.137201 
1 1 1   15    9   46 o   19.205   2.8069   47.400   12.353   47.400   12.353   0.0000   0.0000   19.205   2.8069  ?   ?  0.000000 2.806861 
1 1 1   15    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15    9   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10    0 o  376.882   31.255 18552.60  2737.55 18552.60  2737.55 18552.60  2737.55  376.882   31.255  376.882   31.255 0.000000 0.000000 
1 1 1   15   10    1 o  199.755   10.761  4823.18  505.732  4959.30  715.262  4687.10  715.162  200.263   15.240  194.385   15.715 5.877655 21.89071 
1 1 1   15   10    2 o  346.850   19.395 15214.94  1582.16 16070.50  2237.93 14360.00  2237.11  344.918   27.711  323.080   29.654 21.83771 40.58659 
1 1 1   15   10    3 o   92.876   5.0822  1026.29  111.037  1049.10  157.055  1003.50  157.004   93.557   7.1635   91.456   7.3316 2.100571 10.25033 
1 1 1   15   10    4 o   82.161   4.5533  802.504   87.994  805.700  124.360  799.300  124.523   82.040   6.4719   81.705   6.5081 0.3348083 9.178336 
1 1 1   15   10    5 o  236.613   12.330  6816.55  686.532  8109.60  971.391  5526.10  970.415  255.398   16.191  207.882   20.016 47.51610 25.74466 
1 1 1   15   10    6 o  158.747   8.3795  3023.69  313.002  3555.90  442.782  2492.10  442.522  171.226   11.009  142.311   13.323 28.91449 17.28361 
1 1 1   15   10    7 o  144.217   7.4074  2488.61  251.405  2895.80  355.800  2082.60  355.283  154.860   9.7800  130.597   11.643 24.26384 15.20541 
1 1 1   15   10    8 o  107.456   5.6819  1375.99  143.661  1587.20  203.268  1165.20  203.066  115.048   7.5236   98.184   8.8538 16.86336 11.61871 
1 1 1   15   10    9 o  172.178   8.7432  3564.14  354.308  4238.80  501.446  2891.50  500.691  186.650   11.432  152.852   14.028 33.79839 18.09679 
1 1 1   15   10   10 o   72.725   4.0588  628.577   69.423  711.800   98.192  545.400   98.166   77.217   5.4195   67.406   6.2381 9.811028 8.263495 
1 1 1   15   10   11 o   83.449   4.3599  827.955   85.614  989.500  121.207  667.100  120.947   91.044   5.6660   74.445   6.9609 16.59834 8.975382 
1 1 1   15   10   12 o   67.850   3.5949  546.750   57.392  636.800   81.300  457.300   81.029   73.093   4.7358   61.752   5.6183 11.34082 7.347995 
1 1 1   15   10   13 o  119.632   5.9163  1704.85  167.133  2041.90  236.714  1369.80  236.011  130.300   7.7279  106.095   9.5219 24.20534 12.26322 
1 1 1   15   10   14 o   79.041   4.3806  743.777   81.442  807.300  115.197  680.300  115.155   82.072   5.9853   75.187   6.5515 6.884903 8.873884 
1 1 1   15   10   15 o   48.643   2.9020  281.072   33.181  337.800   46.937  224.400   46.914   53.244   3.7573   43.206   4.6727 10.03838 5.995983 
1 1 1   15   10   16 o  165.063   9.0376  3314.98  350.923  3573.00  496.207  3056.80  496.354  169.137   12.513  155.579   13.649 13.55719 18.51637 
1 1 1   15   10   17 o  160.975   8.8358  3158.82  334.582  3422.50  473.107  2895.00  473.235  165.264   12.210  151.040   13.408 14.22458 18.13418 
1 1 1   15   10   18 o  115.408   6.3352  1603.98  171.987  1759.00  243.199  1448.90  243.254  119.881   8.6492  108.292   9.6126 11.58961 12.93099 
1 1 1   15   10   19 o  100.013   5.5370  1202.09  130.255  1280.30  184.157  1123.80  184.261  102.415   7.6706   95.676   8.2361 6.738243 11.25483 
1 1 1   15   10   20 o   43.252   2.7371  222.664   27.810  236.300   39.238  208.900   39.422   44.405   3.7780   41.682   4.0566 2.722878 5.543459 
1 1 1   15   10   21 o   59.401   3.5399  421.327   49.428  480.900   69.827  361.500   69.976   63.214   4.7117   54.555   5.5072 8.658352 7.247739 
1 1 1   15   10   22 o   39.253   3.6044  185.100   33.036  185.100   33.036   0.0000   0.0000   39.253   3.6044  ?   ?  0.000000 3.604378 
1 1 1   15   10   23 o   33.521   3.2506  135.000   25.407  135.000   25.407   0.0000   0.0000   33.521   3.2506  ?   ?  0.000000 3.250592 
1 1 1   15   10   24 o   47.509   2.9523  269.597   32.956  285.600   46.468  253.400   46.748   48.655   4.0822   45.734   4.3824 2.920700 5.989186 
1 1 1   15   10   25 o   39.816   2.4695  189.008   23.103  213.400   32.735  164.800   32.611   42.160   3.3149   36.913   3.7953 5.246960 5.039138 
1 1 1   15   10   26 o   32.259   2.1851  124.051   16.547  134.300   23.458  113.900   23.345   33.435   3.0031   30.717   3.2686 2.717699 4.438773 
1 1 1   15   10   27 o   77.884   4.2248  733.083   77.408  844.500  109.603  622.200  109.341   82.884   5.6335   70.539   6.6426 12.34498 8.709768 
1 1 1   15   10   28 o   55.614   3.2657  371.328   42.698  384.700   60.434  358.000   60.335   56.161   4.5973   54.098   4.7720 2.063717 6.626221 
1 1 1   15   10   29 o   30.073   1.9668  107.806   13.890  135.000   19.715   81.000   19.574   33.577   2.5045   25.800   3.2875 7.776579 4.132820 
1 1 1   15   10   30 o   42.420   2.5745  215.418   25.666  250.200   36.340  180.800   36.254   45.503   3.4068   38.446   4.0547 7.057484 5.295906 
1 1 1   15   10   31 o   21.058   1.8466   53.073   9.0894   51.200   12.933   54.900   12.777   20.512   2.7386   21.283   2.5962 -0.7705441 3.773572 
1 1 1   15   10   32 o   48.463   2.8665  283.059   32.658  321.200   46.241  245.100   46.131   51.229   3.8507   44.443   4.4556 6.785194 5.889001 
1 1 1   15   10   33 o   42.117   2.5899  213.686   25.632  238.900   36.296  188.600   36.203   44.186   3.5075   39.026   3.9844 5.159271 5.308319 
1 1 1   15   10   34 o   23.881   1.8335   68.371   10.261   76.000   14.587   60.900   14.436   25.030   2.5014   22.299   2.8035 2.731253 3.757254 
1 1 1   15   10   35 o   24.673   2.8352   74.600   16.218   74.600   16.218   0.0000   0.0000   24.673   2.8352  ?   ?  0.000000 2.835204 
1 1 1   15   10   36 o   12.388   2.4261   19.100   6.8430   19.100   6.8430   0.0000   0.0000   12.388   2.4261  ?   ?  0.000000 2.426063 
1 1 1   15   10   37 o   31.888   3.2493  125.900   24.125  125.900   24.125   0.0000   0.0000   31.888   3.2493  ?   ?  0.000000 3.249320 
1 1 1   15   10   38 o   25.600   2.9191   80.900   17.331   80.900   17.331   0.0000   0.0000   25.600   2.9191  ?   ?  0.000000 2.919123 
1 1 1   15   10   39 o   30.997   3.1994  119.400   23.081  119.400   23.081   0.0000   0.0000   30.997   3.1994  ?   ?  0.000000 3.199361 
1 1 1   15   10   40 o   28.947   3.1204  104.500   20.992  104.500   20.992   0.0000   0.0000   28.947   3.1204  ?   ?  0.000000 3.120368 
1 1 1   15   10   41 o   28.819   3.1172  104.200   20.875  104.200   20.875   0.0000   0.0000   28.819   3.1172  ?   ?  0.000000 3.117225 
1 1 1   15   10   42 o   14.776   2.4844   27.400   8.3607   27.400   8.3607   0.0000   0.0000   14.776   2.4844  ?   ?  0.000000 2.484375 
1 1 1   15   10   43 o   5.3006   1.9886   2.6000   3.3684   2.6000   3.3684   0.0000   0.0000   5.3006   1.9886  ?   ?  0.000000 1.988645 
1 1 1   15   10   44 o   33.355   3.4936  145.100   27.109  145.100   27.109   0.0000   0.0000   33.355   3.4936  ?   ?  0.000000 3.493605 
1 1 1   15   10   45 o   22.816   2.8833   66.500   15.187   66.500   15.187   0.0000   0.0000   22.816   2.8833  ?   ?  0.000000 2.883316 
1 1 1   15   10   46 o   16.398   2.7072   34.600   10.117   34.600   10.117   0.0000   0.0000   16.398   2.7072  ?   ?  0.000000 2.707220 
1 1 1   15   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   10   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11    0 o   28.991   3.0642  102.600   20.440  102.600   20.440  102.600   20.440   28.991   3.0642   28.991   3.0642 0.000000 0.000000 
1 1 1   15   11    1 o  236.237   12.608  6803.34  700.773  7430.00  991.368  6177.50  990.719  243.551   17.351  220.553   19.215 22.99742 25.88964 
1 1 1   15   11    2 o  121.361   5.9514  1750.61  170.554  2140.00  241.493  1363.10  240.909  133.673   7.6830  106.083   9.7254 27.58961 12.39402 
1 1 1   15   11    3 o  124.833   6.7411  1861.10  197.975  1896.90  279.988  1825.30  279.969  125.327   9.5324  122.869   9.7291 2.457886 13.62059 
1 1 1   15   11    4 o  178.942   9.3961  3855.03  395.642  4304.70  559.813  3406.30  559.231  187.649   12.709  166.009   14.409 21.63988 19.21260 
1 1 1   15   11    5 o   91.153   4.9462  988.600  106.066  1086.20  150.077  891.200  149.923   95.263   6.7145   86.100   7.4473 9.163010 10.02731 
1 1 1   15   11    6 o   83.637   4.6462  832.028   91.401  870.800  129.214  793.200  129.306   85.284   6.4643   81.311   6.7968 3.972473 9.379973 
1 1 1   15   11    7 o   80.173   4.1456  763.573   78.214  921.400  110.762  606.600  110.462   87.923   5.3605   71.054   6.6613 16.86852 8.550370 
1 1 1   15   11    8 o   61.126   3.3749  443.534   48.525  525.100   68.696  362.300   68.555   66.411   4.4055   54.977   5.3485 11.43468 6.929310 
1 1 1   15   11    9 o   72.103   3.9068  617.611   66.269  731.500   93.796  504.100   93.640   78.330   5.0987   64.787   6.1965 13.54366 8.024544 
1 1 1   15   11   10 o   55.701   3.2543  368.452   42.618  404.300   60.269  332.600   60.273   58.223   4.4166   52.709   4.8987 5.514694 6.595671 
1 1 1   15   11   11 o   16.121   1.6702   31.036   6.2659   34.800   8.8777   27.300   8.8451   17.008   2.2669   14.980   2.5944 2.027851 3.445290 
1 1 1   15   11   12 o  113.004   6.1548  1526.57  163.619  1601.60  231.365  1451.50  231.419  115.102   8.5739  109.401   9.0391 5.700706 12.45860 
1 1 1   15   11   13 o   71.779   4.0190  612.878   67.846  650.700   95.977  575.100   95.921   73.724   5.5539   69.215   5.9260 4.509453 8.121765 
1 1 1   15   11   14 o   94.121   5.1651  1057.34  114.357  1161.40  161.729  953.300  161.722   98.223   7.0192   88.734   7.7974 9.489082 10.49130 
1 1 1   15   11   15 o   26.345   1.9463   82.498   12.023  102.200   17.025   62.900   16.980   29.287   2.4852   22.816   3.2429 6.470442 4.085688 
1 1 1   15   11   16 o   29.165   2.1109  101.115   14.439  114.700   20.409   87.500   20.432   30.996   2.8192   26.974   3.2748 4.022232 4.321143 
1 1 1   15   11   17 o  206.807   11.542  5337.02  561.397  5862.90  793.880  4811.00  793.990  211.663   16.002  189.268   17.981 22.39424 24.07046 
1 1 1   15   11   18 o  105.321   5.7976  1333.87  143.632  1397.70  203.091  1270.00  203.162  106.911   8.1049  101.690   8.5397 5.221397 11.77351 
1 1 1   15   11   19 o  104.556   5.7407  1316.78  141.191  1490.20  199.685  1143.40  199.663  110.392   7.7087   96.070   8.9025 14.32191 11.77618 
1 1 1   15   11   20 o   56.647   3.4175  382.851   45.500  446.400   64.270  319.000   64.423   60.964   4.4963   51.267   5.4029 9.696323 7.029060 
1 1 1   15   11   21 f   52.923   3.1781  334.111   39.533  340.700   55.654  327.400   56.166   53.180   4.4734   52.092   4.6139 1.088692 6.426425 
1 1 1   15   11   22 o   95.027   5.4740  1093.34  122.313  1214.10  172.736  971.900  173.220   99.139   7.4327   88.086   8.4307 11.05335 11.23932 
1 1 1   15   11   23 o   29.349   2.1052  102.598   14.493  102.100   20.465  103.100   20.528   29.143   3.0175   29.288   3.0111 -0.1451092 4.262888 
1 1 1   15   11   24 o   68.334   4.0682  561.858   65.349  624.600   92.193  498.500   92.644   71.522   5.5009   63.539   6.2559 7.983772 8.330443 
1 1 1   15   11   25 o   43.142   2.7621  222.351   27.992  240.300   39.475  204.200   39.698   44.637   3.7807   41.029   4.1547 3.607944 5.617424 
1 1 1   15   11   26 o   7.8316   1.7052   7.5472   3.0640   7.5000   4.2158   7.6000   4.4610   7.8398   2.1919   7.9112   2.2697 -0.7141352E-01 3.155281 
1 1 1   15   11   27 o   27.055   2.0792   87.376   13.182   91.400   18.472   83.200   18.816   27.540   2.8833   26.219   3.0991 1.321335 4.232937 
1 1 1   15   11   28 o   53.754   3.2870  347.186   41.523  381.300   58.606  312.800   58.839   55.940   4.4741   50.432   5.0069 5.507664 6.714649 
1 1 1   15   11   29 o   54.913   3.3426  363.109   43.138  404.900   60.927  321.100   61.085   57.547   4.5199   50.944   5.1485 6.602848 6.851073 
1 1 1   15   11   30 f   27.724   2.0923   91.898   13.597   99.300   19.167   84.400   19.291   28.673   2.8694   26.344   3.1642 2.328524 4.271525 
1 1 1   15   11   31 o   27.945   1.9775   93.349   12.965  106.800   18.405   80.100   18.266   29.764   2.6463   25.641   3.0784 4.122889 4.059445 
1 1 1   15   11   32 o   29.323   2.0960  103.026   14.418  109.200   20.429   96.900   20.350   29.992   2.9216   28.184   3.1096 1.808039 4.266781 
1 1 1   15   11   33 o   34.191   2.3210  140.603   18.628  138.900   26.368  142.300   26.319   33.648   3.3637   34.080   3.3123 -0.4318924 4.720798 
1 1 1   15   11   34 o   29.779   2.1451  106.650   14.983  114.500   21.190   98.800   21.190   30.614   2.9685   28.331   3.2248 2.282888 4.383060 
1 1 1   15   11   35 o   1.7449   0.7735  -0.2279   0.6333   0.2000   1.6672  -0.3000   0.6846   3.1745   1.3279   1.7817   0.7961 1.392870 1.548263 
1 1 1   15   11   36 o   28.434   1.8993   97.107   12.679  115.000   18.029   79.600   17.834   30.770   2.5031   25.386   3.0352 5.383595 3.934227 
1 1 1   15   11   37 o   14.647   2.5040   26.600   8.3494   26.600   8.3494   0.0000   0.0000   14.647   2.5040  ?   ?  0.000000 2.504042 
1 1 1   15   11   38 o   16.852   2.5482   35.100   9.8235   35.100   9.8235   0.0000   0.0000   16.852   2.5482  ?   ?  0.000000 2.548243 
1 1 1   15   11   39 o   10.592   2.4346   14.100   5.9616   14.100   5.9616   0.0000   0.0000   10.592   2.4346  ?   ?  0.000000 2.434589 
1 1 1   15   11   40 o   18.594   2.5964   42.900   11.089   42.900   11.089   0.0000   0.0000   18.594   2.5964  ?   ?  0.000000 2.596415 
1 1 1   15   11   41 o   34.999   3.5162  155.900   28.667  155.900   28.667   0.0000   0.0000   34.999   3.5162  ?   ?  0.000000 3.516245 
1 1 1   15   11   42 o   17.903   2.6224   40.200   10.758   40.200   10.758   0.0000   0.0000   17.903   2.6224  ?   ?  0.000000 2.622432 
1 1 1   15   11   43 o   36.367   3.6914  172.900   31.261  172.900   31.261   0.0000   0.0000   36.367   3.6914  ?   ?  0.000000 3.691397 
1 1 1   15   11   44 o   16.083   2.5632   32.800   9.4078   32.800   9.4078   0.0000   0.0000   16.083   2.5632  ?   ?  0.000000 2.563179 
1 1 1   15   11   45 o   17.820   2.7420   40.600   11.168   40.600   11.168   0.0000   0.0000   17.820   2.7420  ?   ?  0.000000 2.742016 
1 1 1   15   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   11   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12    0 o   9.6145   2.8268   13.400   5.5766   13.400   5.5766   13.400   5.5766   9.6145   2.8268   9.6145   2.8268 0.000000 0.000000 
1 1 1   15   12    1 o  132.255   7.1422  2091.81  222.227  2222.00  314.268  1961.60  314.286  135.547   9.8867  127.097   10.568 8.450218 14.47156 
1 1 1   15   12    2 o   70.749   3.9799  594.702   66.219  616.600   93.643  572.800   93.653   71.835   5.5639   69.186   5.7856 2.648491 8.026849 
1 1 1   15   12    3 o   86.477   4.6714  889.338   95.037  981.600  134.485  797.300  134.322   90.603   6.3256   81.476   7.0511 9.126747 9.472617 
1 1 1   15   12    4 o  169.732   9.0370  3466.58  360.899  3297.90  510.058  3635.70  510.719  163.756   13.305  172.315   12.640 -8.558517 18.35208 
1 1 1   15   12    5 o   78.971   4.2938  741.238   79.769  920.700  112.846  562.000  112.775   87.874   5.4654   68.288   7.0974 19.58626 8.957891 
1 1 1   15   12    6 o  109.305   5.7523  1424.09  147.951  1948.30  209.317  900.700  209.151  127.637   6.9712   85.767   10.549 41.86996 12.64474 
1 1 1   15   12    7 o   73.004   3.8379  632.941   65.929  784.600   93.333  481.900   93.142   81.169   4.8923   63.315   6.3141 17.85387 7.987660 
1 1 1   15   12    8 o  138.151   7.3242  2286.16  238.080  2620.80  336.816  1952.00  336.576  147.154   9.7482  126.314   11.407 20.84013 15.00508 
1 1 1   15   12    9 o   81.523   4.4420  790.554   85.187  919.900  120.518  661.400  120.428   87.732   5.8510   74.116   6.9626 13.61531 9.094611 
1 1 1   15   12   10 o   17.424   1.6728   36.197   6.7977   42.300   9.6555   30.200   9.5719   18.787   2.2194   15.764   2.6666 3.022964 3.469342 
1 1 1   15   12   11 o  185.363   10.067  4172.56  438.996  4711.80  620.827  3633.30  620.840  194.843   13.578  169.611   15.679 25.23218 20.74095 
1 1 1   15   12   12 o  123.993   6.7754  1843.18  197.626  1952.60  279.388  1733.60  279.582  126.758   9.4011  119.163   10.029 7.594704 13.74638 
1 1 1   15   12   13 o  107.720   5.8556  1387.87  148.387  1556.70  209.869  1219.10  209.834  113.530   7.8772  100.055   8.9767 13.47437 11.94283 
1 1 1   15   12   14 o  135.094   7.3179  2198.30  232.575  2344.70  328.961  2052.00  328.860  138.295   10.144  128.960   10.901 9.334732 14.89104 
1 1 1   15   12   15 o  180.485   9.5127  3981.32  403.991  4711.50  571.636  3252.70  571.022  193.999   12.546  158.755   15.427 35.24326 19.88428 
1 1 1   15   12   16 o   44.854   2.7602  239.155   29.093  259.700   41.139  218.600   41.148   46.619   3.7693   42.689   4.1338 3.930115 5.594307 
1 1 1   15   12   17 o   78.567   4.4211  737.441   81.689  827.500  115.499  647.300  115.552   82.864   5.9422   73.003   6.7805 9.860672 9.015825 
1 1 1   15   12   18 o  191.834   10.790  4610.82  486.775  5031.50  688.306  4189.90  688.502  195.242   15.045  175.879   16.781 19.36295 22.53849 
1 1 1   15   12   19 o   72.085   4.1749  621.612   70.760  658.500   99.852  584.400  100.290   73.770   5.7782   69.345   6.1897 4.425766 8.467649 
1 1 1   15   12   20 o  149.382   8.5865  2766.86  301.610  3463.30  426.354  2069.20  426.727  164.687   11.027  123.323   14.960 41.36460 18.58480 
1 1 1   15   12   21 o   45.397   2.8590  245.698   30.492  263.900   43.007  227.300   43.238   46.862   3.9225   43.393   4.2753 3.469219 5.802091 
1 1 1   15   12   22 o   61.624   3.7137  454.888   53.788  502.900   75.881  406.400   76.255   64.433   5.0270   57.676   5.6724 6.756683 7.579348 
1 1 1   15   12   23 o   72.493   4.2793  632.821   72.930  711.600  102.962  553.500  103.316   76.302   5.7569   66.865   6.6309 9.437523 8.781282 
1 1 1   15   12   24 o   77.027   4.1713  714.385   75.589  840.200  107.012  589.100  106.786   82.979   5.4924   68.888   6.6471 14.09026 8.622670 
1 1 1   15   12   25 o   30.687   2.2237  112.339   16.004  121.500   22.525  103.000   22.743   31.784   3.0382   29.176   3.3627 2.607382 4.531900 
1 1 1   15   12   26 o   43.794   2.8288  229.448   29.097  250.500   41.006  208.100   41.294   45.521   3.8510   41.339   4.2929 4.181751 5.767050 
1 1 1   15   12   27 o   15.241   1.6895   27.859   5.9783   31.700   8.4446   24.000   8.4646   16.178   2.2732   13.968   2.6634 2.209984 3.501607 
1 1 1   15   12   28 o   56.953   3.4548  390.540   46.242  425.800   65.267  355.000   65.526   58.992   4.7250   53.613   5.2429 5.378441 7.057897 
1 1 1   15   12   29 o   72.786   4.2698  644.820   73.066  685.300  103.114  604.000  103.547   74.022   5.9495   69.156   6.4138 4.865875 8.748346 
1 1 1   15   12   30 f   27.982   2.1342   93.704   13.995  108.300   19.722   78.900   19.863   29.953   2.8216   25.386   3.3987 4.566851 4.417341 
1 1 1   15   12   31 o   15.749   1.6896   29.788   6.1853   31.100   8.7881   28.500   8.7070   15.965   2.4059   15.248   2.5053 0.7169857 3.473464 
1 1 1   15   12   32 o   11.505   1.6101   16.025   4.2546   20.200   6.0724   12.000   5.9628   12.858   2.0703   9.8246   2.5485 3.033309 3.283448 
1 1 1   15   12   33 o   49.033   3.0695  292.286   35.361  324.100   49.941  260.300   50.076   51.031   4.1811   45.366   4.7447 5.664795 6.324050 
1 1 1   15   12   34 o   51.685   3.0481  325.391   37.037  371.300   52.441  279.700   52.316   54.562   4.1002   46.859   4.7956 7.703255 6.309430 
1 1 1   15   12   35 o   9.9632   1.5471   12.088   3.5218   15.400   5.0703   9.0000   4.8955   11.184   1.9929   8.5205   2.3547 2.663749 3.084882 
1 1 1   15   12   36 o   20.188   1.8042   49.061   8.5101   50.300   12.237   47.900   11.843   20.234   2.6229   19.743   2.6039 0.4906654 3.695889 
1 1 1   15   12   37 o   28.582   2.0106   98.417   13.484  110.300   19.137   86.700   19.002   30.024   2.7290   26.453   3.1008 3.571211 4.130652 
1 1 1   15   12   38 o   11.002   1.5686   14.716   3.9598   17.600   5.9330   12.400   5.3174   11.915   2.1893   9.9477   2.3082 1.967756 3.181374 
1 1 1   15   12   39 o   8.1464   2.3685   8.2000   4.8290   8.2000   4.8290   0.0000   0.0000   8.1464   2.3685  ?   ?  0.000000 2.368535 
1 1 1   15   12   40 o   18.229   2.5895   41.300   10.833   41.300   10.833   0.0000   0.0000   18.229   2.5895  ?   ?  0.000000 2.589455 
1 1 1   15   12   41 o   14.050   2.4948   24.800   7.9738   24.800   7.9738   0.0000   0.0000   14.050   2.4948  ?   ?  0.000000 2.494753 
1 1 1   15   12   42 o   41.274   4.0434  224.300   38.902  224.300   38.902   0.0000   0.0000   41.274   4.0434  ?   ?  0.000000 4.043432 
1 1 1   15   12   43 o   11.434   2.4667   16.700   6.4646   16.700   6.4646   0.0000   0.0000   11.434   2.4667  ?   ?  0.000000 2.466712 
1 1 1   15   12   44 o   12.771   2.4706   20.800   7.1814   20.800   7.1814   0.0000   0.0000   12.771   2.4706  ?   ?  0.000000 2.470608 
1 1 1   15   12   45 o   19.096   2.8577   46.900   12.490   46.900   12.490   0.0000   0.0000   19.096   2.8577  ?   ?  0.000000 2.857696 
1 1 1   15   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   12   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13    0 o  145.254   11.354  2568.10  383.977  2568.10  383.977  2568.10  383.977  145.254   11.354  145.254   11.354 0.000000 0.000000 
1 1 1   15   13    1 o  203.138   10.873  5002.09  519.681  4823.30  734.410  5181.40  735.472  196.554   15.961  204.156   15.369 -7.601807 22.15747 
1 1 1   15   13    2 o  156.117   8.4307  2927.38  309.645  3354.00  437.890  2500.70  437.917  166.074   11.232  142.500   13.163 23.57396 17.30379 
1 1 1   15   13    3 o  167.904   9.0942  3394.28  359.223  3739.20  507.961  3049.20  508.076  174.838   12.384  157.117   13.836 17.72098 18.56822 
1 1 1   15   13    4 o  108.148   6.1322  1396.07  155.958  1593.60  220.271  1197.50  220.846  115.108   8.1567   99.346   9.5310 15.76162 12.54479 
1 1 1   15   13    5 o  140.173   6.3475  2339.65  210.101  3151.50  297.662  1533.60  296.597  162.344   7.7647  111.915   11.382 50.42896 13.77795 
1 1 1   15   13    6 o   59.232   3.2927  416.492   45.872  498.000   64.936  335.300   64.810   64.676   4.2760   52.874   5.2607 11.80235 6.779301 
1 1 1   15   13    7 o  154.051   8.4883  2856.08  307.587  3138.80  434.627  2572.40  435.362  160.250   11.563  144.386   12.905 15.86374 17.32788 
1 1 1   15   13    8 o   98.456   5.0829  1154.48  117.769  1436.50  166.689  873.400  166.412  109.577   6.4708   84.908   8.4106 24.66924 10.61175 
1 1 1   15   13    9 o  140.364   7.5730  2365.52  250.078  2742.00  353.679  1989.10  353.648  150.240   10.027  127.096   11.923 23.14327 15.57860 
1 1 1   15   13   10 o  110.532   5.8824  1459.41  152.982  1691.00  216.439  1228.20  216.261  118.508   7.7775  100.499   9.2154 18.00855 12.05879 
1 1 1   15   13   11 o   16.138   1.7099   31.120   6.4168   28.200   9.1063   34.000   9.0435   15.224   2.6280   16.795   2.3442 -1.570892 3.521585 
1 1 1   15   13   12 o   75.114   4.2172  671.766   74.499  686.100  105.299  657.400  105.416   75.607   5.9459   73.969   6.0893 1.637520 8.510774 
1 1 1   15   13   13 o  135.085   7.3565  2198.58  233.776  2409.10  330.589  1988.00  330.631  140.233   10.050  126.788   11.157 13.44535 15.01601 
1 1 1   15   13   14 o   72.503   4.0920  626.316   69.771  638.300   98.607  614.300   98.736   72.872   5.7777   71.452   5.9049 1.420456 8.261369 
1 1 1   15   13   15 o  124.536   6.8230  1869.80  199.884  2016.30  282.633  1723.20  282.724  128.170   9.4041  118.017   10.247 10.15327 13.90803 
1 1 1   15   13   16 o  155.592   8.5189  2956.98  311.805  3268.50  440.975  2645.50  440.941  161.311   11.655  143.904   13.120 17.40694 17.54961 
1 1 1   15   13   17 o   78.228   4.3675  731.493   80.356  842.300  113.644  620.700  113.636   83.588   5.7933   71.393   6.8238 12.19502 8.951329 
1 1 1   15   13   18 o   51.450   3.0542  315.240   36.940  338.000   52.253  292.500   52.230   53.085   4.2028   49.292   4.5382 3.792896 6.185364 
1 1 1   15   13   19 o  136.752   7.7851  2297.10  250.357  2513.60  353.695  2079.70  354.423  140.674   10.728  126.808   11.978 13.86588 16.08024 
1 1 1   15   13   20 o   76.435   4.4056  701.267   79.179  833.800  111.906  568.400  112.047   82.907   5.7516   67.883   7.0948 15.02425 9.133321 
1 1 1   15   13   21 o   81.995   4.7741  810.172   92.035  924.400  130.003  695.400  130.312   86.933   6.3775   74.843   7.4734 12.09023 9.824663 
1 1 1   15   13   22 o   43.545   2.7420  226.192   28.051  273.500   39.652  178.800   39.687   47.746   3.5422   38.343   4.4671 9.403553 5.701055 
1 1 1   15   13   23 o   29.493   2.1404  103.679   14.804  111.800   20.900   95.500   20.974   30.510   2.9372   28.125   3.2159 2.384693 4.355344 
1 1 1   15   13   24 o   30.515   2.1199  110.966   15.180  123.800   21.497   98.200   21.440   32.123   2.8640   28.509   3.2424 3.613621 4.326196 
1 1 1   15   13   25 o   50.363   3.1439  303.879   37.202  363.200   52.532  244.200   52.690   54.815   4.0878   44.578   5.0971 10.23710 6.533836 
1 1 1   15   13   26 o   46.735   2.9939  261.677   32.866  301.800   46.350  221.100   46.611   49.944   3.9626   42.469   4.7281 7.474121 6.169067 
1 1 1   15   13   27 o   30.632   2.1769  112.012   15.643  116.400   22.092  107.600   22.154   31.069   3.0505   29.830   3.1949 1.239676 4.417384 
1 1 1   15   13   28 f   72.632   4.2298  640.872   72.232  667.900  101.922  613.600  102.382   73.166   5.9508   69.908   6.2687 3.258339 8.643377 
1 1 1   15   13   29 o   45.887   2.9150  252.930   31.422  291.700   44.363  213.900   44.511   48.986   3.8666   41.642   4.6036 7.344082 6.011972 
1 1 1   15   13   30 o   59.405   3.6211  428.353   50.552  495.700   71.385  360.600   71.600   63.276   4.8137   53.370   5.7734 9.905884 7.516885 
1 1 1   15   13   31 o   20.056   1.8199   48.219   8.5251   52.400   12.030   44.000   12.083   20.782   2.5016   18.954   2.7825 1.827747 3.741665 
1 1 1   15   13   32 o   56.614   3.3895  390.739   45.104  389.600   63.495  391.900   64.084   55.606   4.8852   55.747   4.9186 -0.1408653 6.932353 
1 1 1   15   13   33 o   26.085   1.9856   81.694   12.139   76.000   17.083   87.500   17.252   24.900   2.9637   26.800   2.7658 -1.900179 4.053770 
1 1 1   15   13   34 o   22.964   1.9106   63.405   10.266   64.100   14.470   62.700   14.568   22.879   2.7325   22.608   2.7878 0.2706032 3.903611 
1 1 1   15   13   35 o   20.586   1.7781   50.953   8.5586   44.400   12.017   57.700   12.193   18.958   2.7657   21.761   2.4135 -2.802965 3.670686 
1 1 1   15   13   36 o   23.213   1.9344   64.924   10.507   57.300   14.882   72.500   14.836   21.485   3.0164   24.344   2.6222 -2.858673 3.996776 
1 1 1   15   13   37 o   18.129   1.7205   39.588   7.2769   42.300   10.413   37.000   10.173   18.569   2.4334   17.310   2.5667 1.258888 3.536809 
1 1 1   15   13   38 o   32.082   2.1300  124.311   16.045  139.100   22.880  110.000   22.506   33.629   2.9099   29.724   3.2601 3.904604 4.369843 
1 1 1   15   13   39 o   37.467   2.2386  170.165   19.715  203.300   28.046  137.800   27.719   40.589   2.9462   33.013   3.6148 7.576038 4.663354 
1 1 1   15   13   40 o   27.857   3.0507   97.100   19.740   97.100   19.740   0.0000   0.0000   27.857   3.0507  ?   ?  0.000000 3.050671 
1 1 1   15   13   41 o   28.945   3.1410  105.800   21.124  105.800   21.124   0.0000   0.0000   28.945   3.1410  ?   ?  0.000000 3.141042 
1 1 1   15   13   42 o   20.513   2.7235   53.000   12.866   53.000   12.866   0.0000   0.0000   20.513   2.7235  ?   ?  0.000000 2.723459 
1 1 1   15   13   43 o   16.117   2.5757   32.900   9.4722   32.900   9.4722   0.0000   0.0000   16.117   2.5757  ?   ?  0.000000 2.575673 
1 1 1   15   13   44 o   3.3599   1.4233   0.1000   1.9542   0.1000   1.9542   0.0000   0.0000   3.3599   1.4233  ?   ?  0.000000 1.423273 
1 1 1   15   13   45 o   18.992   2.8686   46.500   12.464   46.500   12.464   0.0000   0.0000   18.992   2.8686  ?   ?  0.000000 2.868598 
1 1 1   15   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14    0 o   16.920   2.6964   36.300   9.9537   36.300   9.9537   36.300   9.9537   16.920   2.6964   16.920   2.6964 0.000000 0.000000 
1 1 1   15   14    1 o  138.890   7.4746  2311.40  244.242  2256.20  345.249  2366.70  345.571  136.130   10.830  139.543   10.566 -3.412964 15.13015 
1 1 1   15   14    2 o   61.398   3.5598  447.795   51.390  475.000   72.617  420.500   72.736   63.074   4.9143   59.272   5.2511 3.801876 7.192005 
1 1 1   15   14    3 o   50.864   3.0324  307.157   36.256  351.200   51.270  263.100   51.278   54.294   4.0277   46.860   4.6974 7.434139 6.187668 
1 1 1   15   14    4 o  109.314   5.7705  1425.31  148.426  1732.30  210.004  1118.90  209.806  120.161   7.4378   95.974   9.3775 24.18698 11.96908 
1 1 1   15   14    5 o  126.595   7.0460  1919.57  209.798  2232.50  296.502  1605.80  296.897  135.863   9.2979  114.509   11.120 21.35328 14.49517 
1 1 1   15   14    6 o   96.444   5.2275  1108.47  118.607  1298.90  167.769  918.200  167.702  104.091   6.8640   87.119   8.2503 16.97209 10.73233 
1 1 1   15   14    7 o  100.799   5.4113  1211.58  128.331  1428.80  181.559  994.700  181.415  109.120   7.0845   90.594   8.5827 18.52624 11.12888 
1 1 1   15   14    8 o   72.938   4.3020  633.231   73.767  764.300  104.171  501.400  104.474   79.957   5.5517   64.406   6.9811 15.55083 8.919500 
1 1 1   15   14    9 o   99.451   5.4472  1180.42  127.435  1176.60  179.615  1184.30  180.831   98.745   7.7658   99.062   7.7934 -0.3169250 11.00199 
1 1 1   15   14   10 o  144.319   7.1786  2495.10  244.639  3091.50  346.337  1901.20  345.609  159.649   9.2263  123.899   11.962 35.74973 15.10639 
1 1 1   15   14   11 o   83.279   4.4816  826.182   87.808  938.300  124.272  714.400  124.086   88.471   5.9837   76.936   6.9036 11.53505 9.135914 
1 1 1   15   14   12 o  145.550   7.6233  2555.87  261.099  3038.20  369.454  2074.60  369.045  157.552   9.9821  128.887   12.274 28.66507 15.82066 
1 1 1   15   14   13 o  146.366   7.9020  2593.38  272.098  2931.20  384.873  2255.80  384.735  154.122   10.640  134.149   12.282 19.97261 16.24994 
1 1 1   15   14   14 o  170.175   9.3132  3544.77  372.826  3961.10  527.271  3128.50  527.239  177.298   12.678  155.995   14.478 21.30356 19.24435 
1 1 1   15   14   15 o  105.781   5.5057  1342.04  137.051  1540.50  194.118  1144.80  193.523  112.692   7.3347   96.592   8.5737 16.09975 11.28298 
1 1 1   15   14   16 o   89.169   4.8524  952.191  101.788  1081.60  144.010  823.000  143.889   94.543   6.4899   82.062   7.5087 12.48115 9.924729 
1 1 1   15   14   17 o  102.959   5.6967  1277.29  137.961  1326.90  195.034  1227.60  195.179  103.943   8.0077   99.783   8.3605 4.159630 11.57681 
1 1 1   15   14   18 o  111.091   6.1341  1494.35  160.291  1493.90  226.273  1494.80  227.101  109.644   8.8140  109.658   8.8456 -0.1387787E-01 12.48727 
1 1 1   15   14   19 o   91.059   5.1801  999.737  110.924  1094.80  156.716  904.300  157.025   94.474   7.0763   85.433   7.8721 9.041069 10.58508 
1 1 1   15   14   20 o   10.534   1.6670   13.451   4.0088   13.500   5.6311   13.400   5.7084   10.467   2.3373   10.426   2.3721 0.4152107E-01 3.330167 
1 1 1   15   14   21 o   35.809   2.3908  152.776   20.100  167.700   28.401  137.800   28.450   37.388   3.2493   33.794   3.6217 3.593952 4.865598 
1 1 1   15   14   22 o   75.865   4.3948  693.808   78.393  775.200  110.757  612.100  110.971   79.547   5.9392   70.250   6.7736 9.297523 9.008626 
1 1 1   15   14   23 o   64.735   3.7986  503.462   57.813  548.000   81.657  458.700   81.862   67.056   5.1976   61.103   5.7409 5.952675 7.744241 
1 1 1   15   14   24 o   24.048   1.8696   68.946   10.533   80.900   14.931   57.100   14.863   25.978   2.4634   21.692   2.9803 4.286007 3.866612 
1 1 1   15   14   25 f   45.631   2.7914  248.939   29.933  266.700   42.346  231.200   42.319   46.981   3.8509   43.636   4.1573 3.345085 5.666794 
1 1 1   15   14   26 o   65.118   3.7096  510.748   56.805  553.700   80.383  467.900   80.286   67.231   5.1014   61.550   5.5847 5.680309 7.563921 
1 1 1   15   14   27 o   69.951   4.1575  593.202   68.363  663.000   96.507  522.900   96.855   73.191   5.6271   64.488   6.4467 8.702507 8.557081 
1 1 1   15   14   28 o   10.902   1.7628   14.453   4.3832   16.100   5.9504   12.500   6.4811   11.434   2.2839   10.060   2.6801 1.373858 3.521204 
1 1 1   15   14   29 o   22.007   1.9016   57.956   9.7847   68.400   13.801   47.400   13.875   23.817   2.4907   19.650   3.0925 4.167351 3.970798 
1 1 1   15   14   30 o   30.369   2.1876  110.485   15.583  115.500   21.962  105.400   22.114   30.847   3.0552   29.404   3.2386 1.442961 4.452214 
1 1 1   15   14   31 o   62.997   3.8115  485.918   56.433  540.000   79.684  431.500   79.932   65.442   5.1994   57.913   5.9286 7.528790 7.885535 
1 1 1   15   14   32 o   48.108   3.0614  281.214   34.597  308.900   48.784  253.200   49.073   49.834   4.1844   44.784   4.7110 5.049763 6.301039 
1 1 1   15   14   33 o   29.900   2.1729  107.580   15.237  120.700   21.524   94.400   21.573   31.447   2.9324   27.627   3.3771 3.820147 4.472571 
1 1 1   15   14   34 o   26.286   2.0157   83.142   12.416   81.800   17.505   84.500   17.615   25.809   2.9239   26.247   2.8899 -0.4387569 4.111066 
1 1 1   15   14   35 f   38.032   2.5651  175.503   22.902  188.600   32.263  162.200   32.516   38.968   3.5449   35.934   3.8944 3.034367 5.266197 
1 1 1   15   14   36 o   34.342   2.3647  142.780   19.059  148.200   26.879  137.300   27.029   34.578   3.3332   33.191   3.5015 1.387650 4.834323 
1 1 1   15   14   37 o   31.671   2.2519  121.374   16.732  125.200   23.588  117.500   23.736   31.793   3.1848   30.727   3.3244 1.065962 4.603731 
1 1 1   15   14   38 o   33.546   2.2953  136.425   18.073  147.700   25.588  125.200   25.530   34.511   3.1755   31.602   3.4788 2.909628 4.710160 
1 1 1   15   14   39 o   17.603   1.6614   37.398   6.8245   48.000   9.7223   27.100   9.5818   19.843   2.1072   14.626   2.8769 5.217190 3.566049 
1 1 1   15   14   40 o   18.462   2.6152   42.500   11.082   42.500   11.082   0.0000   0.0000   18.462   2.6152  ?   ?  0.000000 2.615174 
1 1 1   15   14   41 o   33.103   3.4108  139.900   26.280  139.900   26.280   0.0000   0.0000   33.103   3.4108  ?   ?  0.000000 3.410793 
1 1 1   15   14   42 o   22.279   2.7697   62.600   14.257   62.600   14.257   0.0000   0.0000   22.279   2.7697  ?   ?  0.000000 2.769704 
1 1 1   15   14   43 o   26.297   3.0574   88.500   18.631   88.500   18.631   0.0000   0.0000   26.297   3.0574  ?   ?  0.000000 3.057407 
1 1 1   15   14   44 o   32.188   3.5069  135.800   26.223  135.800   26.223   0.0000   0.0000   32.188   3.5069  ?   ?  0.000000 3.506850 
1 1 1   15   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   14   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15    0 o   91.686   7.3205  1017.40  156.167  1017.40  156.167  1017.40  156.167   91.686   7.3205   91.686   7.3205 0.000000 0.000000 
1 1 1   15   15    1 o  124.478   6.7418  1854.09  197.428  1840.40  279.134  1867.80  279.278  123.156   9.6762  124.099   9.6051 -0.9426727 13.63408 
1 1 1   15   15    2 o  161.291   8.6258  3133.64  327.338  3384.10  463.124  2883.60  462.727  166.182   11.880  152.816   12.945 13.36656 17.57004 
1 1 1   15   15    3 o   91.116   5.0072  988.994  107.321  997.800  151.827  980.200  151.722   91.116   7.1129   90.290   7.1754 0.8263245 10.10345 
1 1 1   15   15    4 o   36.475   2.3485  157.944   20.121  185.700   28.484  130.300   28.426   39.495   3.0786   32.958   3.7175 6.536324 4.826702 
1 1 1   15   15    5 o  203.045   11.480  5040.96  548.183  6063.50  774.807  4016.10  775.688  220.139   14.994  176.008   18.963 44.13016 24.17481 
1 1 1   15   15    6 o   28.252   2.0389   94.827   13.511  113.300   19.119   76.400   19.095   30.837   2.6514   25.191   3.2885 5.645182 4.224193 
1 1 1   15   15    7 o   69.613   3.5888  575.636   58.793  719.800   83.339  432.800   82.954   77.733   4.5602   59.979   5.9349 17.75410 7.484509 
1 1 1   15   15    8 o   72.710   3.9835  628.826   68.135  715.100   96.427  542.800   96.288   77.342   5.3121   67.180   6.1376 10.16206 8.117144 
1 1 1   15   15    9 o   89.414   4.4554  949.477   94.071  1259.00  133.269  642.100  132.806  102.658   5.5178   72.684   7.8631 29.97446 9.606018 
1 1 1   15   15   10 o   76.657   4.4228  700.368   79.719  879.600  112.671  520.700  112.808   85.712   5.5976   65.442   7.4318 20.27010 9.303977 
1 1 1   15   15   11 o  101.123   5.4606  1223.09  129.910  1333.30  183.854  1113.20  183.587  105.023   7.4621   95.679   8.2051 9.343933 11.09088 
1 1 1   15   15   12 o  227.351   12.756  6485.17  682.049  6893.00  964.415  6077.10  964.711  227.826   18.075  211.982   19.491 15.84320 26.58187 
1 1 1   15   15   13 o  127.909   7.0673  1975.69  212.631  2165.20  300.591  1785.90  300.820  132.664   9.6617  119.851   10.743 12.81336 14.44883 
1 1 1   15   15   14 o   30.857   2.1549  113.196   15.603  119.100   22.074  107.300   22.059   31.558   2.9983   29.914   3.1711 1.643150 4.364086 
1 1 1   15   15   15 o   54.925   3.2266  359.201   41.664  359.500   58.848  358.900   58.996   54.713   4.5975   54.664   4.6136 0.4906464E-01 6.513208 
1 1 1   15   15   16 o   44.761   2.7210  238.365   28.624  252.000   40.532  224.800   40.428   45.871   3.7754   43.268   4.0023 2.603123 5.501972 
1 1 1   15   15   17 o   84.379   4.6734  854.064   92.753  936.400  131.201  771.800  131.145   87.786   6.3727   79.392   7.0694 8.394249 9.517715 
1 1 1   15   15   18 o   71.111   4.1702  605.939   69.719  679.200   98.438  532.200   98.758   74.871   5.6086   65.955   6.4225 8.916039 8.526736 
1 1 1   15   15   19 o   51.249   3.1427  313.462   37.848  379.900   53.481  246.800   53.571   56.251   4.0535   45.020   5.1308 11.23089 6.538812 
1 1 1   15   15   20 o   17.800   1.7302   37.852   7.1807   40.600   10.151   35.100   10.159   18.347   2.4006   17.001   2.6142 1.346033 3.549248 
1 1 1   15   15   21 o   25.002   1.9636   74.513   11.500   89.400   16.256   59.600   16.270   27.321   2.5492   22.143   3.2049 5.177771 4.095153 
1 1 1   15   15   22 o   60.465   3.4996  438.129   49.754  544.200   70.369  332.100   70.355   67.113   4.4658   51.899   5.8424 15.21369 7.353722 
1 1 1   15   15   23 o   16.447   1.7361   32.389   6.6407   37.500   9.3556   27.200   9.4276   17.627   2.3027   14.883   2.7850 2.744063 3.613692 
1 1 1   15   15   24 o   31.897   2.2347  121.378   16.726  148.900   23.642   93.800   23.666   35.238   2.8661   27.741   3.7054 7.497297 4.684510 
1 1 1   15   15   25 o   69.700   3.7359  584.812   61.264  728.900   86.758  441.500   86.524   77.382   4.7712   59.484   6.2536 17.89823 7.865858 
1 1 1   15   15   26 o   69.818   3.9397  588.820   64.687  648.900   91.542  528.900   91.421   72.614   5.3770   65.190   6.0064 7.423698 8.061603 
1 1 1   15   15   27 o   54.618   3.1844  358.526   40.892  390.000   57.898  327.200   57.762   56.544   4.3702   51.594   4.7961 4.950710 6.488529 
1 1 1   15   15   28 o   55.583   3.3966  372.778   44.367  421.600   62.631  323.600   62.858   58.633   4.5594   50.987   5.2982 7.646008 6.989939 
1 1 1   15   15   29 o   38.321   2.6211  176.393   23.576  208.300   33.242  144.100   33.443   41.417   3.4298   34.132   4.2407 7.285378 5.454084 
1 1 1   15   15   30 o   15.559   1.6831   29.087   6.0851   25.700   8.5281   32.600   8.6854   14.437   2.5971   16.366   2.3117 -1.929100 3.476901 
1 1 1   15   15   31 o   37.922   2.5748  173.376   22.920  196.600   32.326  149.900   32.502   40.075   3.4496   34.720   4.0397 5.354416 5.312208 
1 1 1   15   15   32 o   11.612   1.7035   16.382   4.5319   18.200   6.3552   14.500   6.4644   12.133   2.3024   10.771   2.5762 1.361549 3.455176 
1 1 1   15   15   33 o   15.686   1.7337   29.671   6.3143   30.400   8.8100   28.900   9.0546   15.722   2.4531   15.284   2.6020 0.4379349 3.576016 
1 1 1   15   15   34 o   36.886   2.4684  164.673   21.376  167.200   30.097  162.100   30.364   36.717   3.5143   36.101   3.6103 0.6160469 5.038305 
1 1 1   15   15   35 o   16.915   1.7386   34.496   6.8453   33.200   9.6643   35.800   9.6972   16.389   2.5828   17.059   2.4799 -0.6708279 3.580611 
1 1 1   15   15   36 o   13.443   1.6934   21.898   5.2562   22.000   7.4959   21.800   7.3723   13.294   2.4790   13.240   2.4482 0.5434227E-01 3.484124 
1 1 1   15   15   37 o   52.377   3.2634  338.975   40.162  351.800   56.634  326.000   56.962   52.204   4.6426   50.018   4.8852 2.186874 6.739381 
1 1 1   15   15   38 o   7.3135   1.7529   6.6550   2.9878   6.2000   4.2490   7.1000   4.2022   7.1892   2.2514   7.5937   2.2099 -0.4044857 3.154816 
1 1 1   15   15   39 o   12.649   1.6821   19.485   4.8999   22.300   7.0813   16.900   6.7870   13.382   2.3254   11.560   2.5544 1.821939 3.454346 
1 1 1   15   15   40 o   17.116   2.5615   36.600   10.035   36.600   10.035   0.0000   0.0000   17.116   2.5615  ?   ?  0.000000 2.561506 
1 1 1   15   15   41 o   30.001   3.2174  114.600   22.438  114.600   22.438   0.0000   0.0000   30.001   3.2174  ?   ?  0.000000 3.217441 
1 1 1   15   15   42 o   36.058   3.6755  170.100   30.858  170.100   30.858   0.0000   0.0000   36.058   3.6755  ?   ?  0.000000 3.675518 
1 1 1   15   15   43 f   5.3826   2.1405   2.0000   4.0737   2.0000   4.0737   0.0000   0.0000   5.3826   2.1405  ?   ?  0.000000 2.140530 
1 1 1   15   15   44 o   8.3465   2.6366   8.7000   5.8143   8.7000   5.8143   0.0000   0.0000   8.3465   2.6366  ?   ?  0.000000 2.636562 
1 1 1   15   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   15   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16    0 o   29.979   3.1432  109.700   21.692  109.700   21.692  109.700   21.692   29.979   3.1432   29.979   3.1432 0.000000 0.000000 
1 1 1   15   16    1 o  103.687   5.4300  1282.30  132.486  1080.40  187.156  1485.10  187.572   94.437   8.4831  111.202   7.1816 -16.76468 11.11478 
1 1 1   15   16    2 o   87.458   4.6636  910.681   95.964  1042.40  135.853  779.500  135.576   93.302   6.2015   80.406   7.2174 12.89555 9.515744 
1 1 1   15   16    3 o  115.928   6.2080  1607.16  169.327  1741.70  239.634  1473.00  239.296  120.043   8.5089  110.096   9.2913 9.946358 12.59882 
1 1 1   15   16    4 o   89.177   4.8133  947.455  100.982  1080.40  142.916  814.900  142.706   94.929   6.4132   82.152   7.4370 12.77740 9.820249 
1 1 1   15   16    5 o   60.568   3.4283  435.905   48.831  496.100   69.112  375.900   69.003   64.478   4.5689   55.967   5.2837 8.510265 6.985140 
1 1 1   15   16    6 o   68.443   3.7880  557.021   60.982  618.300   86.333  496.000   86.151   71.920   5.1169   64.266   5.7373 7.654472 7.687596 
1 1 1   15   16    7 f   83.735   4.3903  834.813   86.505  1036.90  122.439  633.400  122.235   93.119   5.5942   72.336   7.2539 20.78249 9.160447 
1 1 1   15   16    8 o  106.071   5.6971  1345.66  142.174  1573.40  201.125  1118.20  201.004  114.202   7.4998   95.719   8.9985 18.48299 11.71408 
1 1 1   15   16    9 o  139.116   7.4362  2333.51  243.397  2716.20  344.322  1951.30  344.109  148.986   9.8426  125.209   11.777 23.77663 15.34836 
1 1 1   15   16   10 o  159.914   8.6674  3108.49  326.072  3400.20  461.222  2817.00  461.050  165.215   11.902  149.414   13.203 15.80090 17.77598 
1 1 1   15   16   11 o   88.280   5.1115  932.303  106.100  1054.90  149.772  808.800  150.325   93.461   6.8338   81.446   7.9163 12.01519 10.45791 
1 1 1   15   16   12 o   75.312   4.1932  676.566   74.276  753.700  105.065  599.500  105.019   79.183   5.6563   70.393   6.3875 8.790100 8.531927 
1 1 1   15   16   13 o   84.127   4.7038  846.489   93.068  942.700  131.591  750.200  131.645   88.341   6.3506   78.500   7.1814 9.840515 9.586574 
1 1 1   15   16   14 o   70.748   4.0146  597.519   66.793  673.400   94.447  521.600   94.471   74.804   5.3829   65.580   6.1732 9.224045 8.190438 
1 1 1   15   16   15 o   61.732   3.5575  454.502   51.638  457.000   72.993  452.000   73.061   61.587   5.0640   61.239   5.0987 0.3481941 7.186156 
1 1 1   15   16   16 o   67.638   3.7846  546.414   60.204  647.900   85.178  445.100   85.106   73.386   4.9441   60.463   6.0417 12.92225 7.806840 
1 1 1   15   16   17 o   59.928   3.5043  428.888   49.375  443.600   69.736  414.100   69.917   60.625   4.9136   58.508   5.1119 2.116356 7.090487 
1 1 1   15   16   18 f  122.261   7.0249  1832.36  201.958  2117.00  285.354  1546.70  285.869  129.612   9.3870  109.209   11.246 20.40266 14.64891 
1 1 1   15   16   19 o   14.313   1.6159   24.544   5.3658   19.400   7.5128   29.900   7.6664   12.553   2.6192   15.746   2.1153 -3.193017 3.366684 
1 1 1   15   16   20 o   45.669   2.8717  248.999   30.811  286.900   43.517  210.900   43.630   48.842   3.8031   41.663   4.5066 7.179031 5.896878 
1 1 1   15   16   21 o   30.419   2.2150  110.327   15.801  128.700   22.299   91.800   22.393   32.759   2.9131   27.506   3.5290 5.252817 4.575990 
1 1 1   15   16   22 o   82.803   4.7918  830.826   93.292  951.500  131.812  709.700  132.059   87.768   6.4042   75.088   7.5503 12.68037 9.900555 
1 1 1   15   16   23 o   16.717   1.7128   33.445   6.6658   34.700   9.4466   32.200   9.4072   16.919   2.4346   16.269   2.5309 0.6497955 3.511829 
1 1 1   15   16   24 o   65.518   3.5322  515.642   54.445  630.000   77.102  401.900   76.894   72.044   4.5556   56.975   5.7961 15.06880 7.372118 
1 1 1   15   16   25 o   26.165   1.9339   81.646   11.864  100.600   16.802   62.800   16.754   28.975   2.4796   22.701   3.2154 6.274464 4.060499 
1 1 1   15   16   26 o   89.092   4.8252  969.946  101.134  1203.30  143.118  737.200  142.931   98.202   6.2037   75.291   8.1705 22.91044 10.25877 
1 1 1   15   16   27 o   84.784   4.7064  879.633   93.855  1031.40  132.804  728.200  132.658   90.646   6.2424   75.041   7.5908 15.60559 9.827937 
1 1 1   15   16   28 o   60.798   3.5342  447.407   50.519  540.000   71.462  354.900   71.428   66.267   4.5952   53.021   5.7996 13.24610 7.399386 
1 1 1   15   16   29 o   50.119   3.1345  303.578   36.909  324.700   51.981  282.100   52.418   51.314   4.3303   47.614   4.7245 3.700130 6.408788 
1 1 1   15   16   30 o   54.147   3.3786  356.659   42.983  405.500   60.658  307.400   60.917   57.092   4.5368   49.188   5.3299 7.904221 6.999337 
1 1 1   15   16   31 o   12.534   1.6404   18.993   4.7384   16.700   6.6214   21.400   6.7838   11.581   2.4948   13.195   2.2584 -1.613467 3.365200 
1 1 1   15   16   32 f   22.349   1.9539   60.078   10.208   65.600   14.276   54.300   14.603   23.189   2.6548   20.962   3.0388 2.227428 4.035154 
1 1 1   15   16   33 o   17.789   1.7670   38.104   7.3244   42.200   10.353   34.000   10.364   18.583   2.4165   16.563   2.7460 2.019470 3.657857 
1 1 1   15   16   34 o   20.505   1.8477   50.626   8.8502   52.200   12.414   49.000   12.621   20.632   2.6063   19.937   2.7544 0.6950760 3.791997 
1 1 1   15   16   35 o   38.102   2.4894  175.994   22.274  170.900   31.331  181.200   31.672   37.008   3.6320   38.157   3.5561 -1.148899 5.083060 
1 1 1   15   16   36 o   7.5750   1.7724   7.1285   3.1141  10.0000   4.2805   3.9000   4.5388   8.9549   2.0663   6.3238   2.3203 2.631094 3.106989 
1 1 1   15   16   37 o   23.803   1.9962   68.451   11.117   77.000   15.630   59.700   15.814   25.037   2.6857   21.844   3.1573 3.192213 4.145102 
1 1 1   15   16   38 o   28.905   2.1312  101.292   14.444  116.600   20.466   86.100   20.388   30.717   2.8542   26.118   3.3854 4.598572 4.427997 
1 1 1   15   16   39 o   7.0469   1.7961   6.1918   2.9977   7.1000   4.3923   5.4000   4.1013   7.5978   2.2722   6.7874   2.2209 0.8104415 3.177285 
1 1 1   15   16   40 o   23.187   2.8056   67.300   15.049   67.300   15.049   0.0000   0.0000   23.187   2.8056  ?   ?  0.000000 2.805560 
1 1 1   15   16   41 o   33.120   3.4433  141.300   26.535  141.300   26.535   0.0000   0.0000   33.120   3.4433  ?   ?  0.000000 3.443263 
1 1 1   15   16   42 o   14.526   2.6261   26.900   8.6764   26.900   8.6764   0.0000   0.0000   14.526   2.6261  ?   ?  0.000000 2.626111 
1 1 1   15   16   43 o   22.626   2.9591   65.500   15.431   65.500   15.431   0.0000   0.0000   22.626   2.9591  ?   ?  0.000000 2.959058 
1 1 1   15   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17    0 o  163.209   12.861  3275.20  488.561  3275.20  488.561  3275.20  488.561  163.209   12.861  163.209   12.861 0.000000 0.000000 
1 1 1   15   17    1 o   85.003   4.7121  861.107   94.212  832.700  133.254  889.500  133.219   83.155   6.8471   86.018   6.6092 -2.863312 9.516513 
1 1 1   15   17    2 o  103.195   5.6416  1272.55  136.954  1271.30  193.698  1273.80  193.666  102.509   8.0672  102.614   8.0574 -0.1043472 11.40177 
1 1 1   15   17    3 o   48.046   2.7585  274.053   31.165  332.900   44.167  215.700   43.981   52.883   3.5576   42.389   4.4609 10.49442 5.705779 
1 1 1   15   17    4 o  109.038   5.9622  1422.82  152.933  1495.10  216.248  1350.50  216.312  111.095   8.3032  105.401   8.7707 5.694374 12.07762 
1 1 1   15   17    5 o  142.634   7.6022  2451.69  255.128  2725.20  361.009  2178.80  360.601  149.161   10.313  132.643   11.630 16.51889 15.54398 
1 1 1   15   17    6 o   99.769   5.4784  1190.11  128.571  1204.60  181.745  1175.60  181.910   99.752   7.7772   98.501   7.8870 1.250198 11.07654 
1 1 1   15   17    7 o   86.780   4.7950  898.733   97.878  914.700  138.492  882.800  138.347   87.089   6.7880   85.515   6.9102 1.574074 9.686490 
1 1 1   15   17    8 o  104.036   5.7039  1296.46  139.592  1304.80  197.259  1288.10  197.566  103.616   8.1273  102.922   8.1971 0.6941986 11.54314 
1 1 1   15   17    9 o   26.043   2.0175   80.683   12.311   97.500   17.393   63.800   17.427   28.583   2.6056   22.966   3.3090 5.616959 4.211697 
1 1 1   15   17   10 o   88.920   4.8581  945.080  101.620  1098.80  143.745  791.500  143.680   95.483   6.4126   80.605   7.6400 14.87819 9.974481 
1 1 1   15   17   11 o   90.758   5.0511  986.202  107.824  1029.30  152.394  943.000  152.577   92.129   7.0587   88.042   7.4079 4.087730 10.23241 
1 1 1   15   17   12 o  100.178   5.5783  1205.68  131.435  1234.50  185.458  1176.60  186.298  100.525   7.8758   98.022   8.1218 2.503204 11.31341 
1 1 1   15   17   13 o  145.643   8.2526  2598.90  282.652  2837.50  399.275  2359.20  400.187  149.810   11.372  135.478   12.656 14.33182 17.01419 
1 1 1   15   17   14 o  150.447   8.2350  2780.33  291.444  3181.80  412.225  2379.10  412.103  158.532   11.081  135.229   13.068 23.30309 17.13420 
1 1 1   15   17   15 o   57.881   3.3728  399.603   45.898  443.000   64.908  356.200   64.912   60.708   4.5612   54.267   5.1263 6.441616 6.861747 
1 1 1   15   17   16 o   39.666   2.4997  187.264   23.294  212.500   32.966  162.100   32.919   42.139   3.3404   36.676   3.8590 5.463291 5.103890 
1 1 1   15   17   17 o   31.524   2.1876  118.293   16.183  116.900   22.827  119.700   22.947   31.202   3.1408   31.581   3.1179 -0.3788052 4.425582 
1 1 1   15   17   18 o   33.293   2.2410  131.971   17.515  127.700   24.687  136.300   24.855   32.594   3.2508   33.700   3.1602 -1.105648 4.533755 
1 1 1   15   17   19 o   47.637   2.9452  270.970   32.968  321.400   46.591  220.400   46.656   51.705   3.8435   42.548   4.7235 9.157402 6.089638 
1 1 1   15   17   20 o   11.656   1.6185   16.388   4.3347   15.300   6.0961   17.500   6.1647   11.143   2.3885   11.951   2.2675 -0.8073549 3.293389 
1 1 1   15   17   21 o   63.245   3.8088  480.726   56.617  541.000   79.920  420.000   80.218   66.648   5.1172   58.375   5.9005 8.273426 7.810356 
1 1 1   15   17   22 o   21.730   1.8518   56.359   9.4117   57.500   13.259   55.200   13.361   21.835   2.6243   21.372   2.7083 0.4621735 3.771118 
1 1 1   15   17   23 o   71.380   4.1171  615.110   69.101  750.200   97.702  479.900   97.746   78.296   5.3160   61.827   6.8079 16.46858 8.637551 
1 1 1   15   17   24 o   12.990   1.6351   20.300   4.9042   17.900   6.9356   22.700   6.9356   12.045   2.5194   13.651   2.2285 -1.606031 3.363574 
1 1 1   15   17   25 o   65.303   3.7555  514.580   57.667  579.600   81.567  449.600   81.541   68.730   5.0614   60.122   5.8162 8.607941 7.710152 
1 1 1   15   17   26 o   49.596   2.8204  294.733   32.894  367.900   46.588  222.000   46.450   55.188   3.5946   42.438   4.7149 12.74979 5.928837 
1 1 1   15   17   27 o   45.845   2.7939  252.264   30.101  292.300   42.589  212.300   42.550   49.071   3.7027   41.530   4.4061 7.540863 5.755359 
1 1 1   15   17   28 o   38.042   2.3971  173.411   21.423  203.500   30.342  143.500   30.253   41.011   3.1574   34.196   3.8114 6.815266 4.949331 
1 1 1   15   17   29 o   32.383   2.0566  125.456   15.645  151.900   22.229   99.500   22.023   35.494   2.6717   28.502   3.3352 6.991522 4.273350 
1 1 1   15   17   30 o   45.449   2.8851  250.040   30.803  288.600   43.512  211.300   43.613   48.397   3.8389   40.998   4.5834 7.398502 5.978689 
1 1 1   15   17   31 o   9.9052   1.7845   12.038   4.0203   15.300   5.5738   8.5000   5.8043   11.120   2.2007   8.4270   2.6302 2.692657 3.429384 
1 1 1   15   17   32 o   25.601   2.8751   80.300   17.080   80.300   17.080   0.0000   0.0000   25.601   2.8751  ?   ?  0.000000 2.875103 
1 1 1   15   17   33 o   25.202   2.8743   78.000   16.799   78.000   16.799   0.0000   0.0000   25.202   2.8743  ?   ?  0.000000 2.874281 
1 1 1   15   17   34 o   34.359   2.4012  142.894   19.359  155.300   27.276  130.300   27.482   35.454   3.2957   32.278   3.6708 3.175629 4.933222 
1 1 1   15   17   35 o   44.302   2.8394  239.611   29.547  300.500   41.766  178.600   41.807   49.139   3.6250   37.029   4.9019 12.11058 6.096603 
1 1 1   15   17   36 o   34.979   2.4187  148.472   19.856  169.700   28.033  127.100   28.128   37.024   3.2391   31.707   3.8347 5.316378 5.019615 
1 1 1   15   17   37 o   23.488   1.9351   66.637   10.637   65.200   14.976   68.100   15.112   22.947   2.8234   23.474   2.7804 -0.5270939 3.962587 
1 1 1   15   17   38 o   15.056   1.7321   27.508   6.0460   30.000   8.7182   25.200   8.3918   15.534   2.4586   14.168   2.6044 1.366430 3.581554 
1 1 1   15   17   39 o   14.200   1.7634   24.578   5.7855   30.600   8.1300   18.400   8.2349   15.728   2.2535   11.966   2.9364 3.761876 3.701406 
1 1 1   15   17   40 o   11.514   2.4175   16.800   6.3635   16.800   6.3635   0.0000   0.0000   11.514   2.4175  ?   ?  0.000000 2.417472 
1 1 1   15   17   41 o   22.520   2.8163   64.100   14.649   64.100   14.649   0.0000   0.0000   22.520   2.8163  ?   ?  0.000000 2.816252 
1 1 1   15   17   42 o   11.920   2.7578   18.400   7.6081   18.400   7.6081   0.0000   0.0000   11.920   2.7578  ?   ?  0.000000 2.757777 
1 1 1   15   17   43 o   19.513   2.8630   48.800   12.799   48.800   12.799   0.0000   0.0000   19.513   2.8630  ?   ?  0.000000 2.863019 
1 1 1   15   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   17   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18    0 o   8.8185   2.8741   11.700   5.2983   11.700   5.2983   11.700   5.2983   8.8185   2.8741   8.8185   2.8741 0.000000 0.000000 
1 1 1   15   18    1 o  189.137   10.341  4383.25  460.116  4278.70  650.547  4487.90  650.858  183.083   15.185  187.885   14.790 -4.801758 21.19692 
1 1 1   15   18    2 o   58.119   3.2334  401.428   44.200  459.600   62.629  343.700   62.389   62.055   4.3005   53.506   4.9957 8.549351 6.591788 
1 1 1   15   18    3 o   52.774   3.0821  331.004   38.242  307.600   54.030  354.500   54.136   50.663   4.5653   54.468   4.2424 -3.805180 6.232213 
1 1 1   15   18    4 o  146.648   7.4803  2594.47  258.175  2283.40  363.849  2909.90  366.393  135.605   11.470  153.988   10.133 -18.38319 15.30500 
1 1 1   15   18    5 o   97.138   5.3451  1128.66  122.133  1186.40  172.703  1070.90  172.740   99.010   7.4413   93.905   7.8625 5.104927 10.82549 
1 1 1   15   18    6 o   28.422   2.0464   96.016   13.642  107.000   19.323   85.100   19.264   29.936   2.7647   26.619   3.1241 3.316664 4.171731 
1 1 1   15   18    7 o  106.754   5.7996  1366.66  145.648  1477.70  206.065  1255.80  205.892  110.280   7.9667  101.344   8.6876 8.936409 11.78734 
1 1 1   15   18    8 o   27.000   2.0160   86.694   12.761   90.600   18.060   82.800   18.033   27.514   2.8195   26.271   2.9584 1.243288 4.086810 
1 1 1   15   18    9 o   87.984   4.8534  925.955  100.446  981.300  142.110  870.700  141.993   90.057   6.7313   84.662   7.1699 5.394669 9.834556 
1 1 1   15   18   10 o   94.632   5.2168  1073.65  116.124  1070.20  164.113  1077.10  164.335   93.737   7.4765   94.046   7.4612 -0.3098221 10.56256 
1 1 1   15   18   11 o  187.765   10.529  4401.13  464.956  4644.50  657.376  4157.50  657.719  187.874   14.941  176.455   15.958 11.41902 21.86063 
1 1 1   15   18   12 o   27.622   2.0030   90.749   12.976  105.000   18.384   76.600   18.318   29.649   2.6540   25.213   3.1452 4.436058 4.115324 
1 1 1   15   18   13 o  110.963   6.1801  1489.80  161.291  1595.60  227.989  1383.80  228.211  113.609   8.5614  105.354   9.2675 8.254730 12.61679 
1 1 1   15   18   14 o   58.811   3.5721  413.078   49.371  453.100   69.582  372.500   70.063   61.319   4.8450   55.414   5.4239 5.905449 7.272731 
1 1 1   15   18   15 o   41.741   2.5587  207.379   25.098  192.900   35.348  222.100   35.643   40.055   3.7819   43.050   3.5375 -2.994347 5.178509 
1 1 1   15   18   16 f   76.413   4.3930  701.226   78.933  779.700  111.538  622.500  111.717   80.044   5.9436   71.170   6.7273 8.873863 8.976798 
1 1 1   15   18   17 o   4.3630   1.5518   1.9251   2.0108   6.4000   2.7164  -3.5000   2.9909   7.2122   1.6330   3.1921   1.5083 4.020113 2.222996 
1 1 1   15   18   18 o   15.118   1.6739   27.380   5.8753   24.800   8.2764   30.000   8.3419   14.240   2.5552   15.738   2.3137 -1.498363 3.447106 
1 1 1   15   18   19 o   34.843   2.3064  144.666   18.869  169.700   26.704  119.700   26.667   37.634   3.0306   31.442   3.6602 6.191454 4.752004 
1 1 1   15   18   20 o   16.085   1.7443   30.995   6.5188   34.800   9.1657   27.100   9.2733   16.963   2.3514   14.864   2.7430 2.098845 3.612966 
1 1 1   15   18   21 o   87.049   5.0623  921.667  103.608  1071.70  146.394  771.100  146.655   92.878   6.7203   77.836   8.0977 15.04260 10.52310 
1 1 1   15   18   22 o   28.348   2.0637   95.834   13.720   91.900   19.363   99.800   19.443   27.599   3.0203   28.797   2.8987 -1.197983 4.186251 
1 1 1   15   18   23 o   68.594   3.8186  566.885   61.606  675.300   87.191  458.800   87.058   74.371   4.9938   60.703   6.1588 13.66827 7.928961 
1 1 1   15   18   24 o   27.529   2.0483   90.456   13.220   99.000   18.690   81.900   18.702   28.680   2.7953   25.997   3.1082 2.682783 4.180238 
1 1 1   15   18   25 o   38.033   2.3187  172.726   20.725  218.600   29.365  127.200   29.254   42.670   2.9322   32.249   3.9223 10.42127 4.897182 
1 1 1   15   18   26 o   59.026   3.4193  420.300   47.454  472.800   67.142  367.900   67.078   62.088   4.6125   54.405   5.2881 7.682426 7.017076 
1 1 1   15   18   27 o   74.668   4.0541  679.916   71.212  831.200  100.821  529.300  100.598   81.718   5.2527   64.064   6.7515 17.65343 8.554149 
1 1 1   15   18   28 o   42.594   2.5421  217.870   25.452  274.000   36.052  162.100   35.936   47.550   3.2300   36.132   4.2961 11.41792 5.374912 
1 1 1   15   18   29 o   16.229   1.6180   31.600   6.1181   38.500   8.7164   24.900   8.5897   17.842   2.1098   14.180   2.6631 3.661479 3.397525 
1 1 1   15   18   30 o   28.439   2.0631   97.076   13.760  101.400   19.513   92.800   19.407   28.843   2.9046   27.541   3.0344 1.302145 4.200519 
1 1 1   15   18   31 o   14.443   1.7702   25.221   5.9112   31.500   8.2815   18.700   8.4401   16.065   2.2443   12.190   2.9615 3.875750 3.715779 
1 1 1   15   18   32 f   21.577   1.9294   56.061   9.7265   69.400   13.699   42.500   13.813   23.890   2.4637   18.397   3.3009 5.493372 4.118959 
1 1 1   15   18   33 o   44.073   2.8682  236.763   29.688  252.000   41.764  221.200   42.209   44.836   3.9863   41.762   4.3437 3.073608 5.895608 
1 1 1   15   18   34 o   21.532   1.8711   55.841   9.4189   55.500   13.153   56.200   13.495   21.250   2.6808   21.368   2.7374 -0.1177883 3.831495 
1 1 1   15   18   35 o   30.914   2.1952  115.466   15.921  113.800   22.296  117.200   22.742   30.325   3.1600   30.772   3.1753 -0.4469814 4.479744 
1 1 1   15   18   36 o   27.964   3.0332   96.800   19.708   96.800   19.708   0.0000   0.0000   27.964   3.0332  ?   ?  0.000000 3.033221 
1 1 1   15   18   37 o   18.222   1.8082   40.181   7.6778   42.100   10.774   38.200   10.944   18.447   2.5408   17.492   2.7395 0.9546852 3.736371 
1 1 1   15   18   38 o   7.6585   1.6676   7.2931   2.9302   0.3000   3.9878   15.500   4.3201   4.8148   2.0360   11.256   1.6764 -6.441581 2.637398 
1 1 1   15   18   39 o   19.970   1.8787   48.467   8.7552   51.600   12.348   45.300   12.416   20.345   2.6320   18.952   2.8636 1.392487 3.889424 
1 1 1   15   18   40 o   7.8844   2.2236   7.8000   4.3190   7.8000   4.3190   0.0000   0.0000   7.8844   2.2236  ?   ?  0.000000 2.223565 
1 1 1   15   18   41 o   8.7600   2.5910   9.7000   5.7349   9.7000   5.7349   0.0000   0.0000   8.7600   2.5910  ?   ?  0.000000 2.590990 
1 1 1   15   18   42 o   11.234   2.6605   16.300   6.9485   16.300   6.9485   0.0000   0.0000   11.234   2.6605  ?   ?  0.000000 2.660457 
1 1 1   15   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   18   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19    0 o  144.406   11.432  2566.10  384.195  2566.10  384.195  2566.10  384.195  144.406   11.432  144.406   11.432 0.000000 0.000000 
1 1 1   15   19    1 o  114.086   6.1604  1562.78  165.346  1662.30  233.975  1463.50  233.695  116.793   8.5431  109.302   9.1382 7.490082 12.50965 
1 1 1   15   19    2 o  107.070   5.7085  1373.84  143.809  1509.20  203.607  1239.10  203.145  111.546   7.7786  100.708   8.6256 10.83781 11.61502 
1 1 1   15   19    3 o  140.890   7.6834  2403.14  254.655  2375.70  360.085  2430.60  360.188  138.232   11.126  139.912   10.991 -1.680054 15.63886 
1 1 1   15   19    4 o   83.830   4.6233  839.166   91.167  898.200  129.021  780.300  128.837   86.310   6.3756   80.279   6.8623 6.031097 9.366969 
1 1 1   15   19    5 o  123.831   6.4617  1845.90  188.291  2164.80  266.557  1528.30  266.011  133.211   8.5186  111.010   10.264 22.20007 13.33856 
1 1 1   15   19    6 o   99.392   4.7299  1177.41  111.012  1511.50  157.432  847.000  156.561  112.153   5.9660   83.203   8.0701 28.95029 10.03591 
1 1 1   15   19    7 o   35.153   2.3389  146.900   19.305  174.300   27.301  119.500   27.301   38.223   3.0501   31.499   3.7438 6.724586 4.828979 
1 1 1   15   19    8 o   94.032   5.0834  1059.46  112.454  963.800  158.877  1155.50  159.191   88.849   7.6471   97.608   6.9522 -8.758324 10.33493 
1 1 1   15   19    9 o   60.054   3.4685  429.737   48.977  445.900   69.291  413.600   69.237   60.914   4.8576   58.610   5.0521 2.304008 7.008594 
1 1 1   15   19   10 o   49.054   2.9075  286.351   33.528  263.500   47.365  309.300   47.468   46.817   4.3336   50.818   3.9876 -4.001350 5.889062 
1 1 1   15   19   11 o   85.635   4.7071  879.103   94.818  934.500  134.212  823.900  133.976   87.702   6.5274   82.155   6.9718 5.546783 9.550571 
1 1 1   15   19   12 o   51.696   3.1063  318.483   37.744  352.500   53.352  284.400   53.403   54.196   4.2017   48.536   4.7192 5.660027 6.318626 
1 1 1   15   19   13 o   45.613   2.7978  247.805   29.990  272.600   42.407  223.000   42.416   47.682   3.7979   43.012   4.2310 4.670124 5.685535 
1 1 1   15   19   14 o   72.727   4.0793  633.511   69.772  698.300   98.702  568.800   98.642   75.920   5.5440   68.262   6.1868 7.658493 8.307357 
1 1 1   15   19   15 o   94.845   5.2861  1087.21  117.919  1089.80  166.344  1084.60  167.184   93.835   7.5717   93.575   7.6326 0.2600250 10.75112 
1 1 1   15   19   16 o   26.338   2.0643   82.682   12.735   94.000   17.946   71.200   18.076   27.999   2.7499   24.246   3.2381 3.753044 4.248174 
1 1 1   15   19   17 o   6.8012   1.5930   5.6942   2.5135   3.9000   3.3847   7.9000   3.7529   5.9635   2.0192   8.0093   1.9925 -2.045766 2.836774 
1 1 1   15   19   18 o   29.664   2.1337  104.863   14.846  126.000   20.989   83.700   21.002   32.438   2.7667   26.260   3.4721 6.178423 4.439611 
1 1 1   15   19   19 o   51.354   3.0779  315.352   37.152  315.600   52.375  315.100   52.708   51.044   4.3879   50.994   4.4210 0.5050278E-01 6.228855 
1 1 1   15   19   20 o   71.434   4.0796  614.862   68.530  747.100   96.912  482.600   96.920   78.252   5.2755   62.176   6.7075 16.07593 8.533530 
1 1 1   15   19   21 o   29.471   2.1835  103.644   15.087  120.200   21.276   86.900   21.397   31.635   2.8797   26.737   3.4709 4.897724 4.510013 
1 1 1   15   19   22 o   36.518   2.4000  159.198   20.581  170.500   29.109  147.900   29.103   37.618   3.3106   34.955   3.5762 2.662659 4.873341 
1 1 1   15   19   23 o   78.044   4.4555  739.580   81.770  793.700  115.608  685.400  115.672   79.860   6.1786   73.846   6.7065 6.013763 9.118798 
1 1 1   15   19   24 o   18.446   1.7628   40.714   7.5849   38.400   10.759   43.000   10.695   17.759   2.6465   18.848   2.4616 -1.089697 3.614361 
1 1 1   15   19   25 o   18.633   1.7596   41.550   7.6508   49.500   10.820   33.600   10.820   20.266   2.3018   16.535   2.8755 3.731201 3.683331 
1 1 1   15   19   26 o   41.749   2.6456  209.155   25.947  202.700   36.708  215.600   36.681   40.729   3.8630   42.061   3.7319 -1.332386 5.371193 
1 1 1   15   19   27 o   28.295   2.0444   95.808   13.567  105.500   19.230   86.200   19.145   29.535   2.7903   26.591   3.1076 2.943783 4.176492 
1 1 1   15   19   28 o   24.918   1.7750   74.209   10.376   96.100   14.756   52.800   14.593   28.283   2.2275   20.711   3.0774 7.571653 3.798994 
1 1 1   15   19   29 o   28.453   2.0439   97.114   13.641  114.800   19.311   79.500   19.272   30.782   2.6835   25.398   3.2908 5.384762 4.246261 
1 1 1   15   19   30 o   36.601   2.1880  160.885   18.824  203.100   26.738  119.400   26.505   40.935   2.7826   31.008   3.6925 9.926970 4.623578 
1 1 1   15   19   31 o   41.050   2.4762  203.488   23.891  238.700   33.889  168.700   33.685   44.115   3.2766   36.731   3.9455 7.383606 5.128639 
1 1 1   15   19   32 f   29.011   2.1835  101.502   14.848  111.700   20.896   91.100   21.104   30.181   2.9705   27.080   3.3734 3.101000 4.494822 
1 1 1   15   19   33 o   3.1413   1.3255   0.0981   1.6843  -0.5000   2.1285   1.1000   2.7549   3.2852   1.4385   4.3756   1.7535 -1.090368 2.268093 
1 1 1   15   19   34 o   29.017   2.1758  101.685   14.800  109.100   20.812   94.100   21.050   29.771   3.0015   27.508   3.3068 2.262880 4.465849 
1 1 1   15   19   35 o   21.292   1.8490   54.636   9.2044   53.800   12.910   55.500   13.127   20.899   2.6776   21.231   2.6778 -0.3324356 3.786844 
1 1 1   15   19   36 o   34.471   2.3810  144.432   19.262  151.200   27.178  137.600   27.305   34.799   3.3488   33.073   3.5519 1.725990 4.881642 
1 1 1   15   19   37 f   16.491   1.8343   33.027   7.0220   38.500   9.7790   27.200   10.089   17.657   2.4083   14.606   3.0249 3.050703 3.866467 
1 1 1   15   19   38 o   15.881   1.7439   30.632   6.4325   34.600   9.1172   26.700   9.0767   16.704   2.3786   14.519   2.7481 2.184744 3.634496 
1 1 1   15   19   39 o   16.992   1.8294   35.192   7.2245   37.400   10.124   32.900   10.313   17.277   2.5589   16.088   2.8173 1.189131 3.805989 
1 1 1   15   19   40 o   20.985   2.7298   55.500   13.207   55.500   13.207   0.0000   0.0000   20.985   2.7298  ?   ?  0.000000 2.729804 
1 1 1   15   19   41 o   24.660   3.0085   77.600   17.156   77.600   17.156   0.0000   0.0000   24.660   3.0085  ?   ?  0.000000 3.008467 
1 1 1   15   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   19   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20    0 o   8.1558   2.8576   10.300   4.9858   10.300   4.9858   10.300   4.9858   8.1558   2.8576   8.1558   2.8576 0.000000 0.000000 
1 1 1   15   20    1 o  114.344   6.2333  1574.11  167.668  1624.80  237.221  1523.50  237.016  115.091   8.7953  111.281   9.0993 3.810265 12.65521 
1 1 1   15   20    2 o   31.510   2.0568  117.946   15.220   98.900   21.384  137.500   21.668   28.701   3.2102   33.962   2.7247 -5.261490 4.210663 
1 1 1   15   20    3 o   12.920   1.6669   20.060   4.9669   22.800   7.0117   17.300   7.0370   13.704   2.2446   11.858   2.5859 1.845304 3.424193 
1 1 1   15   20    4 f   56.559   3.2156  380.681   42.769  453.700   60.555  308.000   60.415   61.604   4.1875   50.521   5.1356 11.08363 6.626445 
1 1 1   15   20    5 o   51.114   3.0203  310.864   36.293  293.700   51.273  328.100   51.381   49.454   4.4378   52.336   4.1927 -2.882118 6.105206 
1 1 1   15   20    6 o   67.362   3.7771  541.145   59.839  601.700   84.698  480.800   84.551   70.761   5.1032   63.059   5.7411 7.701878 7.681284 
1 1 1   15   20    7 o   94.657   5.1340  1075.14  114.325  986.500  161.485  1164.20  161.874   89.762   7.6930   97.829   7.0546 -8.067802 10.43787 
1 1 1   15   20    8 o   32.734   2.2278  127.432   17.118  133.000   24.248  121.900   24.168   33.333   3.1169   31.878   3.2563 1.454628 4.507598 
1 1 1   15   20    9 o   27.083   2.0146   87.279   12.792   91.100   18.142   83.500   18.040   27.573   2.8263   26.367   2.9478 1.205708 4.083786 
1 1 1   15   20   10 o   21.038   1.8396   52.761   9.0469   48.800   12.812   56.700   12.776   20.097   2.7737   21.726   2.5381 -1.629116 3.759725 
1 1 1   15   20   11 o   71.431   3.9412  610.168   66.221  677.800   93.778  542.900   93.525   74.914   5.3361   66.802   5.9926 8.111534 8.024050 
1 1 1   15   20   12 o   50.026   3.0052  298.306   35.336  313.600   49.962  283.000   49.982   51.075   4.1792   48.450   4.4172 2.624908 6.080906 
1 1 1   15   20   13 o   33.689   2.2311  135.057   17.648  169.600   24.974  100.600   24.943   37.689   2.8267   28.810   3.7557 8.879284 4.700628 
1 1 1   15   20   14 o   32.985   2.2526  129.552   17.441  133.100   24.656  126.000   24.673   33.300   3.1741   32.374   3.2724 0.9254341 4.558897 
1 1 1   15   20   15 o   38.832   2.5688  179.788   23.422  217.500   33.086  141.900   33.163   42.601   3.3151   34.173   4.1979 8.427509 5.349035 
1 1 1   15   20   16 o   55.273   3.1804  365.110   41.335  339.600   58.243  391.000   58.674   52.918   4.7103   56.900   4.4011 -3.982475 6.446411 
1 1 1   15   20   17 o   75.610   4.2542  688.375   75.647  676.800  106.639  700.100  107.326   74.196   6.1418   75.504   6.0710 -1.307991 8.635919 
1 1 1   15   20   18 o   80.717   4.6956  788.347   89.113  867.000  125.827  709.200  126.222   83.807   6.4067   75.331   7.1827 8.475899 9.624837 
1 1 1   15   20   19 o   26.460   1.9949   83.475   12.373   79.900   17.438   87.100   17.558   25.739   2.9208   26.908   2.8046 -1.169584 4.049289 
1 1 1   15   20   20 o   66.274   3.7376  528.206   58.253  498.300   82.186  558.400   82.580   63.684   5.5198   67.577   5.2154 -3.893055 7.593967 
1 1 1   15   20   21 o   97.800   5.5852  1174.04  128.450  1408.60  181.602  939.200  181.711  105.744   7.3178   84.696   9.2354 21.04804 11.78315 
1 1 1   15   20   22 o   18.045   1.7604   38.959   7.4058   43.900   10.463   34.000   10.483   19.071   2.3750   16.675   2.7589 2.395607 3.640315 
1 1 1   15   20   23 o   23.373   1.8877   65.235   10.330   69.600   14.634   60.900   14.583   24.027   2.6218   22.418   2.8169 1.608524 3.848237 
1 1 1   15   20   24 o   63.049   3.6984  480.541   54.821  533.600   77.498  427.400   77.558   65.817   5.0244   58.524   5.6838 7.292789 7.586216 
1 1 1   15   20   25 o   21.018   1.8074   52.834   8.8830   56.800   12.588   48.900   12.538   21.676   2.5054   20.047   2.7186 1.629002 3.697032 
1 1 1   15   20   26 o   44.216   2.7064  234.981   28.121  249.300   39.938  220.900   39.604   45.178   3.7783   42.423   4.0007 2.754814 5.502853 
1 1 1   15   20   27 o   24.983   1.8232   74.626   10.681  100.200   15.173   49.500   15.040   28.886   2.2420   19.989   3.3015 8.897034 3.990822 
1 1 1   15   20   28 o   25.006   1.9323   74.962   11.322   85.700   16.040   64.300   15.983   26.597   2.5866   22.885   3.0323 3.711563 3.985616 
1 1 1   15   20   29 o   8.8806   1.5482   9.6411   3.1285   14.800   4.5208   4.9000   4.3339   11.007   1.8017   6.6734   2.2848 4.333840 2.909666 
1 1 1   15   20   30 o   12.377   1.4795   18.464   4.2386   27.100   6.0803   10.300   5.9118   14.980   1.7519   9.1317   2.6107 5.848758 3.144009 
1 1 1   15   20   31 o   45.758   2.7840  254.412   29.938  303.600   42.377  205.400   42.302   49.512   3.6503   40.160   4.5405 9.352425 5.825882 
1 1 1   15   20   32 o   13.348   1.5226   21.473   4.7133   27.100   6.8453   16.400   6.4993   14.922   1.9924   11.454   2.4752 3.468258 3.177483 
1 1 1   15   20   33 o   28.646   2.1062   98.947   14.147   96.300   19.813  101.700   20.207   27.942   3.0524   28.734   3.0235 -0.7918205 4.296392 
1 1 1   15   20   34 o   23.159   1.9512   64.682   10.571   64.300   14.617   65.100   15.305   22.852   2.7650   22.954   2.8875 -0.1019402 3.997866 
1 1 1   15   20   35 o   11.482   1.7592   16.115   4.6177   17.600   6.3986   14.500   6.6707   11.874   2.3652   10.720   2.6503 1.154179 3.552171 
1 1 1   15   20   36 o   15.330   1.8024   28.543   6.3999   32.600   8.9006   24.200   9.2090   16.238   2.3931   13.801   2.9171 2.436769 3.773090 
1 1 1   15   20   37 o   20.779   1.8925   52.361   9.1843   55.700   12.873   48.900   13.108   21.187   2.6295   19.730   2.8999 1.456949 3.914548 
1 1 1   15   20   38 o   26.034   2.0578   82.495   12.547   92.700   17.706   72.200   17.784   27.278   2.7880   23.820   3.2462 3.457327 4.279102 
1 1 1   15   20   39 o   21.027   1.8657   53.815   9.1673   45.700   12.898   62.100   13.032   18.925   2.9852   22.340   2.5140 -3.415186 3.902776 
1 1 1   15   20   40 o   17.460   2.6220   38.500   10.476   38.500   10.476   0.0000   0.0000   17.460   2.6220  ?   ?  0.000000 2.621957 
1 1 1   15   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   20   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21    0 o   4.1488   2.2230   2.9000   2.9881   2.9000   2.9881   2.9000   2.9881   4.1488   2.2230   4.1488   2.2230 0.000000 0.000000 
1 1 1   15   21    1 o   97.124   5.3478  1133.08  122.175  1155.50  172.842  1110.70  172.722   97.256   7.5861   95.273   7.7444 1.982407 10.84092 
1 1 1   15   21    2 o   62.279   3.5839  462.448   52.483  437.900   74.220  487.000   74.225   60.255   5.2693   63.636   4.9792 -3.380680 7.249722 
1 1 1   15   21    3 o   61.360   3.4570  448.670   49.886  416.200   70.302  481.600   70.798   58.762   5.1177   63.322   4.7699 -4.560276 6.995854 
1 1 1   15   21    4 o   67.458   3.8486  543.212   61.052  590.900   86.330  495.500   86.352   70.045   5.2578   63.973   5.7787 6.072422 7.812661 
1 1 1   15   21    5 o   60.983   3.5291  443.510   50.603  450.900   71.515  436.100   71.612   61.190   4.9930   60.147   5.0898 1.042110 7.129913 
1 1 1   15   21    6 o   54.396   3.1826  352.525   40.702  373.700   57.595  331.400   57.527   55.788   4.4080   52.455   4.6940 3.333050 6.439210 
1 1 1   15   21    7 o   66.087   3.7408  521.489   58.138  568.800   82.272  474.300   82.166   68.706   5.1076   62.568   5.6213 6.137966 7.595157 
1 1 1   15   21    8 o   65.656   3.7287  514.903   57.570  481.900   81.360  548.000   81.474   63.075   5.5180   67.393   5.1588 -4.318771 7.553963 
1 1 1   15   21    9 o   11.662   1.6713   16.412   4.4708   20.200   6.3549   12.700   6.2910   12.887   2.1651   10.158   2.6090 2.728795 3.390394 
1 1 1   15   21   10 o   91.527   5.0275  1008.62  108.242  1070.30  153.242  947.200  152.913   93.463   6.9942   87.677   7.4566 5.786240 10.22347 
1 1 1   15   21   11 f   46.012   2.8170  252.288   30.460  255.100   43.169  249.500   42.984   46.054   4.0096   45.535   4.0395 0.5182800 5.691642 
1 1 1   15   21   12 o   14.458   1.7064   25.076   5.7134   23.700   8.1576   26.400   8.0045   13.914   2.5777   14.737   2.3814 -0.8228035 3.509341 
1 1 1   15   21   13 o   33.316   2.2410  132.166   17.527  141.400   24.833  123.000   24.742   34.338   3.0959   31.967   3.3265 2.371725 4.544242 
1 1 1   15   21   14 o   10.715   1.7375   13.938   4.2457   15.400   5.8403   12.300   6.1832   11.194   2.2867   9.9936   2.5966 1.200334 3.459973 
1 1 1   15   21   15 o   72.099   4.1836  625.340   70.920  658.400  100.084  592.000  100.508   73.361   5.8254   69.380   6.2001 3.980766 8.507484 
1 1 1   15   21   16 o   61.404   3.5827  452.032   51.723  459.900   72.997  444.100   73.298   61.476   5.0738   60.362   5.1929 1.114231 7.260166 
1 1 1   15   21   17 o   71.390   4.1499  613.998   69.656  652.900   98.322  574.800   98.696   72.966   5.7531   68.235   6.1928 4.731003 8.452727 
1 1 1   15   21   18 o   27.009   2.0807   87.026   13.168   99.900   18.568   74.000   18.677   28.844   2.7599   24.686   3.2856 4.158272 4.290949 
1 1 1   15   21   19 o   27.451   1.9122   89.764   12.318   73.100   17.275  107.000   17.569   24.575   3.0420   29.896   2.5121 -5.321012 3.945142 
1 1 1   15   21   20 o   35.615   2.4109  151.458   20.157  169.000   28.459  133.800   28.553   37.467   3.2489   33.202   3.7051 4.265114 4.927735 
1 1 1   15   21   21 o   73.624   4.3512  657.420   75.311  727.600  106.302  586.700  106.711   76.623   5.9212   68.307   6.7021 8.315483 8.943025 
1 1 1   15   21   22 o   53.347   3.1896  341.865   39.996  387.100   56.553  296.600   56.572   56.404   4.2779   49.078   4.9490 7.325954 6.541628 
1 1 1   15   21   23 o   7.3073   1.7009   6.5856   2.8799   4.4000   4.1584   8.6000   3.9922   6.4313   2.2361   8.3440   2.0426 -1.912627 3.028647 
1 1 1   15   21   24 o   81.035   4.5958  805.650   87.581  888.300  123.896  723.100  123.821   83.738   6.3122   74.853   7.0897 8.884773 9.492496 
1 1 1   15   21   25 o   32.577   2.2501  127.106   17.203  139.200   24.323  115.000   24.335   33.898   3.0720   30.690   3.4159 3.208368 4.594100 
1 1 1   15   21   26 o   62.500   3.5980  475.622   52.877  557.500   74.815  393.900   74.743   66.938   4.7643   55.540   5.7839 11.39828 7.493458 
1 1 1   15   21   27 o   26.963   2.0102   87.166   12.707   95.000   18.009   79.400   17.931   27.973   2.7625   25.473   3.0412 2.500168 4.108565 
1 1 1   15   21   28 f   31.649   2.1661  120.306   16.091  143.200   22.778   97.500   22.735   34.345   2.8339   28.078   3.5053 6.267172 4.507558 
1 1 1   15   21   29 o   56.566   3.3010  391.239   43.901  454.000   62.140  328.700   62.030   60.162   4.4047   50.502   5.2796 9.659687 6.875731 
1 1 1   15   21   30 o   31.860   2.2177  122.294   16.580  131.600   23.456  113.000   23.440   32.765   3.0674   30.237   3.3385 2.527399 4.533694 
1 1 1   15   21   31 o   22.997   1.8095   63.504   9.7467   79.300   13.826   47.900   13.742   25.588   2.3133   19.623   3.0660 5.965439 3.840781 
1 1 1   15   21   32 o   28.028   1.9615   94.456   12.900  115.900   18.305   73.300   18.182   30.885   2.5322   24.273   3.2540 6.611383 4.123162 
1 1 1   15   21   33 o   25.035   1.6201   75.022   9.5258  104.000   13.661   47.600   13.290   29.402   1.9792   19.561   2.9705 9.840731 3.569427 
1 1 1   15   21   34 f   37.527   2.4395  170.850   21.500  159.400   30.211  182.600   30.604   35.666   3.6381   38.320   3.4180 -2.654144 4.991821 
1 1 1   15   21   35 o   20.325   1.8155   49.874   8.6216   46.100   12.074   53.800   12.315   19.268   2.7301   20.902   2.5479 -1.634344 3.734333 
1 1 1   15   21   36 o   3.0384   1.3090  -0.1597   1.7036  -1.4000   2.1202   2.1000   2.8617   2.9725   1.3573   4.8620   1.8312 -1.889524 2.279380 
1 1 1   15   21   37 o   21.287   1.9533   55.073   9.7088   63.800   13.598   46.000   13.866   22.694   2.5836   18.979   3.2083 3.714699 4.119253 
1 1 1   15   21   38 o   5.6713   1.8126   3.8057   2.7420  -2.5000   3.6104   12.400   4.2150   3.8305   1.7573   9.9874   1.8556 -6.156871 2.555603 
1 1 1   15   21   39 o   6.2906   1.9441   4.8000   3.1800   3.9000   4.4972   5.7000   4.4972   6.2565   2.3075   6.9749   2.3277 -0.7184472 3.277634 
1 1 1   15   21   40 o   19.320   2.7922   47.400   12.369   47.400   12.369   0.0000   0.0000   19.320   2.7922  ?   ?  0.000000 2.792176 
1 1 1   15   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   21   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22    0 f   11.899   2.8744   19.400   7.0016   19.400   7.0016   19.400   7.0016   11.899   2.8744   11.899   2.8744 0.000000 0.000000 
1 1 1   15   22    1 o   47.394   2.7879  267.313   31.064  226.000   43.858  308.900   44.003   43.303   4.3478   50.818   3.6922 -7.514172 5.704010 
1 1 1   15   22    2 o  109.910   6.0161  1460.63  155.548  1372.20  219.891  1549.20  220.065  105.037   8.9509  111.987   8.3827 -6.949669 12.26329 
1 1 1   15   22    3 o   97.061   5.4885  1135.66  125.278  1240.60  176.950  1030.20  177.389  100.581   7.5043   91.213   8.3277 9.368134 11.21004 
1 1 1   15   22    4 o   85.475   4.6694  876.545   93.889  970.100  132.890  783.300  132.669   89.349   6.3397   79.947   7.1016 9.402458 9.519670 
1 1 1   15   22    5 o   67.371   3.7324  542.163   59.146  644.000   83.722  440.700   83.568   73.159   4.8742   60.156   5.9615 13.00241 7.700446 
1 1 1   15   22    6 o   76.794   4.3064  706.673   77.776  729.300  110.057  684.100  109.927   77.466   6.0649   74.940   6.2696 2.526573 8.722974 
1 1 1   15   22    7 o   78.303   4.3139  734.911   79.457  838.800  112.445  631.300  112.294   83.199   5.7589   71.786   6.7021 11.41351 8.836460 
1 1 1   15   22    8 o   35.739   2.3506  152.022   19.726  160.900   27.942  143.200   27.854   36.641   3.2636   34.516   3.4642 2.124638 4.759357 
1 1 1   15   22    9 o   96.037   5.3275  1114.29  120.342  1122.20  170.354  1106.40  170.025   95.254   7.6379   94.553   7.6815 0.7010727 10.83248 
1 1 1   15   22   10 o   67.723   3.7652  548.924   59.975  590.600   85.049  507.700   84.587   69.839   5.1943   64.591   5.6013 5.248291 7.639064 
1 1 1   15   22   11 o   52.414   3.0998  327.968   38.195  337.000   54.113  319.000   53.920   52.850   4.3754   51.380   4.4893 1.469360 6.268807 
1 1 1   15   22   12 o   47.528   2.8781  269.534   32.149  280.200   45.498  258.900   45.432   48.224   4.0325   46.302   4.2010 1.922100 5.823211 
1 1 1   15   22   13 o   33.891   2.3102  136.871   18.378  163.200   25.980  110.500   26.001   36.913   3.0067   30.189   3.7264 6.723755 4.788142 
1 1 1   15   22   14 o   51.904   3.0937  321.975   37.745  366.300   53.394  277.700   53.364   55.123   4.1321   47.773   4.7952 7.349503 6.329961 
1 1 1   15   22   15 o   43.015   2.7922  220.997   28.209  250.700   39.795  191.000   39.992   45.632   3.7256   39.641   4.3435 5.991154 5.722419 
1 1 1   15   22   16 o   96.782   5.1143  1138.08  116.466  1004.20  164.058  1274.10  165.365   89.189   7.8705  101.224   6.9606 -12.03521 10.50686 
1 1 1   15   22   17 o   72.976   4.1394  642.103   71.038  635.300  100.118  649.000  100.810   71.799   5.9590   72.587   5.9333 -0.7877426 8.409172 
1 1 1   15   22   18 o  102.164   5.9393  1284.98  142.665  1387.20  201.387  1182.00  202.134  104.227   8.2500   95.418   9.0806 8.808540 12.26866 
1 1 1   15   22   19 o   17.539   1.7055   36.785   6.9743   34.100   9.7486   39.600   9.9817   16.745   2.5456   18.099   2.3944 -1.353600 3.494735 
1 1 1   15   22   20 o   10.745   1.6546   13.996   4.0635   11.200   5.6462   17.000   5.8528   9.5277   2.4841   11.778   2.1848 -2.250630 3.308152 
1 1 1   15   22   21 o   47.293   4.1654  272.300   46.042  272.300   46.042   0.0000   0.0000   47.293   4.1654  ?   ?  0.000000 4.165364 
1 1 1   15   22   22 o   71.336   4.0985  617.807   68.748  649.900   97.215  585.700   97.235   72.232   5.7471   68.334   6.0897 3.897789 8.373389 
1 1 1   15   22   23 o   33.909   2.3013  137.602   18.318  134.200   25.912  141.000   25.900   33.239   3.3468   34.103   3.2557 -0.8642044 4.669142 
1 1 1   15   22   24 o   34.662   2.3285  143.946   18.948  153.800   26.803  134.100   26.791   35.604   3.2229   33.153   3.4738 2.450527 4.738625 
1 1 1   15   22   25 o   47.499   2.8635  271.988   31.967  302.300   45.255  241.800   45.162   49.663   3.8901   44.161   4.3890 5.502239 5.864851 
1 1 1   15   22   26 o   44.294   2.7799  236.911   28.929  257.900   40.901  215.900   40.923   45.783   3.8181   41.678   4.2160 4.104919 5.687969 
1 1 1   15   22   27 f   34.735   2.3445  145.152   19.117  146.900   27.025  143.400   27.047   34.616   3.3480   34.179   3.3962 0.4366875 4.768977 
1 1 1   15   22   28 o   50.491   3.0089  309.910   35.712  361.600   50.548  258.400   50.460   53.978   3.9941   45.087   4.8140 8.891239 6.255191 
1 1 1   15   22   29 o   57.459   3.4342  405.487   46.383  420.200   65.625  390.800   65.566   57.384   4.8897   55.157   5.0914 2.226376 7.059203 
1 1 1   15   22   30 o   18.696   1.7836   42.068   7.7786   38.300   11.027   45.800   10.974   17.601   2.7426   19.359   2.4560 -1.758009 3.681513 
1 1 1   15   22   31 o   44.815   2.7296  244.054   28.748  287.800   40.701  200.500   40.612   48.186   3.6031   39.705   4.4058 8.480976 5.691563 
1 1 1   15   22   32 o   16.114   1.6729   31.289   6.2728   35.100   8.9435   27.600   8.8003   16.936   2.2954   14.909   2.5939 2.027464 3.463687 
1 1 1   15   22   33 o   18.012   1.6052   38.978   6.7558   50.400   9.7193   28.300   9.3972   20.402   2.0450   15.051   2.7452 5.350751 3.423200 
1 1 1   15   22   34 o   14.707   1.5873   26.102   5.4248   30.900   7.7968   21.600   7.5528   15.890   2.1316   13.141   2.5257 2.749010 3.304998 
1 1 1   15   22   35 o   27.362   2.1722   90.924   13.920  104.400   19.561   77.100   19.812   29.032   2.8918   24.636   3.5044 4.395792 4.543441 
1 1 1   15   22   36 o   14.887   1.8667   27.051   6.4178   31.700   8.7737   21.700   9.4121   15.979   2.3994   12.977   3.1118 3.002057 3.929444 
1 1 1   15   22   37 o   47.440   2.9225  280.397   32.580  262.200   45.643  299.300   46.520   44.431   4.4086   47.766   4.1661 -3.335194 6.065599 
1 1 1   15   22   38 o   14.733   1.8361   26.583   6.2488   29.600   8.9391   23.700   8.7386   15.318   2.5618   13.586   2.8163 1.731675 3.807095 
1 1 1   15   22   39 o   9.4067   2.6467   11.300   6.1266   11.300   6.1266   0.0000   0.0000   9.4067   2.6467  ?   ?  0.000000 2.646729 
1 1 1   15   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   22   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23    0 o   55.908   4.7709  379.700   61.929  379.700   61.929  379.700   61.929   55.908   4.7709   55.908   4.7709 0.000000 0.000000 
1 1 1   15   23    1 o   99.431   5.5817  1194.65  130.523  1409.50  184.525  979.500  184.651  107.160   7.3364   88.397   8.9704 18.76318 11.58835 
1 1 1   15   23    2 o  109.546   5.7481  1451.51  148.173  1680.50  209.866  1223.90  209.231  116.843   7.6486   98.815   9.0680 18.02834 11.86296 
1 1 1   15   23    3 o   39.684   2.5315  187.487   23.598  178.900   33.348  196.100   33.398   38.576   3.7066   40.435   3.5334 -1.859097 5.120905 
1 1 1   15   23    4 o   71.815   4.0408  617.602   68.246  708.900   96.539  526.400   96.489   76.557   5.3742   65.609   6.3057 10.94865 8.285199 
1 1 1   15   23    5 o  119.101   6.4941  1728.89  181.951  1609.50  257.097  1848.70  257.539  112.722   9.7550  121.420   9.0473 -8.697952 13.30466 
1 1 1   15   23    6 o   45.950   2.8357  251.677   30.618  265.700   43.258  237.600   43.342   47.017   3.9324   44.390   4.1842 2.626999 5.742073 
1 1 1   15   23    7 o   66.075   3.7052  522.340   57.577  568.500   81.568  476.500   81.285   68.557   5.0746   62.580   5.5584 5.976482 7.526483 
1 1 1   15   23    8 o   62.282   3.5978  464.100   52.688  466.100   74.512  462.100   74.512   61.997   5.1359   61.722   5.1597 0.2757530 7.280164 
1 1 1   15   23    9 o   95.505   5.0637  1102.38  113.790  1283.60  161.157  922.200  160.692  102.204   6.7149   85.834   8.0211 16.36950 10.46081 
1 1 1   15   23   10 o   43.806   2.7301  228.864   28.100  213.900   39.758  243.800   39.721   42.086   4.0506   45.019   3.7713 -2.932610 5.534435 
1 1 1   15   23   11 o   99.280   5.3652  1196.11  125.313  1339.80  177.431  1053.10  177.009  103.937   7.2752   91.439   8.2879 12.49763 11.02808 
1 1 1   15   23   12 o   21.617   1.8431   55.743   9.3183   57.700   13.203   53.800   13.153   21.888   2.6058   21.108   2.7007 0.7792625 3.752885 
1 1 1   15   23   13 o   20.539   1.8199   50.350   8.7348   47.500   12.353   53.200   12.353   19.809   2.7121   21.013   2.5412 -1.204079 3.716559 
1 1 1   15   23   14 o   83.201   4.6389  837.112   90.777  928.600  128.441  745.800  128.316   86.791   6.3103   77.293   7.1101 9.497864 9.506454 
1 1 1   15   23   15 o   46.717   2.8632  260.806   31.434  272.400   44.443  249.200   44.465   47.483   4.0010   45.348   4.2000 2.134289 5.800720 
1 1 1   15   23   16 o   16.646   1.5851   33.098   6.1550   24.600   8.5364   42.300   8.8830   14.155   2.6512   18.777   2.0360 -4.621615 3.342811 
1 1 1   15   23   17 o   88.054   5.0957  945.180  105.499  998.800  148.813  891.000  149.588   89.214   7.1233   83.869   7.6369 5.345261 10.44339 
1 1 1   15   23   18 o   41.504   2.6179  205.845   25.526  204.000   36.048  207.700   36.150   41.058   3.7598   41.438   3.7346 -0.3801575 5.299397 
1 1 1   15   23   19 o   4.2476   1.5371   1.7590   1.9821   3.4000   2.5594  -0.7000   3.1330   5.4367   1.7527   4.0034   1.7494 1.433214 2.476307 
1 1 1   15   23   20 o  118.638   6.6717  1768.86  186.147  1717.00  262.531  1821.30  263.979  112.820   9.9566  116.612   9.6740 -3.791794 13.88234 
1 1 1   15   23   21 o   35.043   2.3832  146.902   19.604  157.600   27.657  136.100   27.791   36.099   3.2803   33.449   3.5739 2.650143 4.851084 
1 1 1   15   23   22 o   31.739   2.2087  120.500   16.451  120.500   23.237  120.500   23.294   31.528   3.1638   31.525   3.1722 0.2300262E-02 4.480259 
1 1 1   15   23   23 o   37.563   2.5501  169.411   22.485  180.100   31.566  158.400   32.038   38.455   3.5151   35.939   3.8343 2.515915 5.201716 
1 1 1   15   23   24 o   28.879   2.0761   99.873   14.063   93.100   19.848  106.700   19.928   27.637   3.0944   29.667   2.8810 -2.029894 4.227949 
1 1 1   15   23   25 f   30.795   2.1796  113.803   15.747  124.700   22.267  102.900   22.273   32.027   2.9784   28.964   3.3162 3.062283 4.457393 
1 1 1   15   23   26 o   24.979   1.9598   74.852   11.467   76.900   16.207   72.800   16.227   25.125   2.7783   24.413   2.8695 0.7115498 3.994086 
1 1 1   15   23   27 o   37.315   2.4509  167.895   21.476  172.700   30.387  163.100   30.356   37.461   3.4747   36.351   3.5830 1.110832 4.991153 
1 1 1   15   23   28 o   12.003   1.6309   17.457   4.5030   20.500   6.4146   14.500   6.3228   12.913   2.1814   10.766   2.5299 2.146558 3.340526 
1 1 1   15   23   29 o   15.342   1.7091   28.391   6.0867   31.600   8.6201   25.200   8.5957   16.058   2.3422   14.232   2.6554 1.826603 3.540806 
1 1 1   15   23   30 o   70.627   4.0228  622.808   66.813  733.000   94.570  513.000   94.405   75.081   5.3696   61.324   6.6246 13.75738 8.527491 
1 1 1   15   23   31 o   15.544   1.6988   29.148   6.1339   29.300   8.7216   29.000   8.6285   15.405   2.4819   15.328   2.4677 0.7710171E-01 3.499890 
1 1 1   15   23   32 o   50.447   3.0414  311.837   36.061  355.200   51.034  268.600   50.961   53.078   4.1037   45.586   4.8067 7.492508 6.320138 
1 1 1   15   23   33 o   22.290   1.7788   59.790   9.2847   76.600   13.174   43.200   13.087   25.118   2.2448   18.545   3.0979 6.573399 3.825739 
1 1 1   15   23   34 f   24.831   1.7457   74.177   10.171   97.100   14.537   52.200   14.234   28.283   2.1938   20.396   3.0490 7.887444 3.756258 
1 1 1   15   23   35 o   10.813   1.5825   14.269   3.9210   16.700   5.6437   12.000   5.4514   11.582   2.1425   9.7485   2.3872 1.833615 3.207642 
1 1 1   15   23   36 o   32.176   2.3988  126.887   18.095  141.600   25.349  111.600   25.839   33.507   3.2444   29.360   3.8172 4.146458 5.009695 
1 1 1   15   23   37 o   6.4772   1.9277   5.1464   3.1672   8.9000   4.2794   0.6000   4.7096   8.3991   2.1489   5.2750   2.2206 3.124045 3.090145 
1 1 1   15   23   38 o   13.516   1.7896   22.409   5.5710   22.600   7.7093   22.200   8.0595   13.339   2.5402   13.171   2.6825 0.1688137 3.694430 
1 1 1   15   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   23   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24    0 o  226.932   19.972  7097.70  1051.19  7097.70  1051.19  7097.70  1051.19  226.932   19.972  226.932   19.972 0.000000 0.000000 
1 1 1   15   24    1 o   15.467   1.6143   28.606   5.8091   19.500   7.8228   39.800   8.6735   12.577   2.7136   18.217   2.0520 -5.639632 3.402142 
1 1 1   15   24    2 o   46.594   2.8467  258.850   31.171  229.000   44.082  288.700   44.082   43.522   4.3475   49.031   3.8381 -5.508377 5.799294 
1 1 1   15   24    3 o   73.213   3.8238  641.655   65.876  767.100   93.405  517.500   92.923   79.698   4.9883   65.010   6.1253 14.68782 7.899539 
1 1 1   15   24    4 o   47.981   2.8971  274.581   32.670  295.400   46.224  253.800   46.182   49.558   3.9836   45.836   4.3177 3.722118 5.874689 
1 1 1   15   24    5 o   47.396   2.7739  267.768   30.910  308.700   43.812  227.200   43.616   50.728   3.6826   43.338   4.3197 7.390038 5.676377 
1 1 1   15   24    6 o   36.366   2.3969  157.554   20.468  159.800   28.923  155.300   28.969   36.463   3.3983   35.931   3.4571 0.5324478 4.847624 
1 1 1   15   24    7 o   8.6951   1.6978   9.2567   3.3609   8.4000   4.7719   10.100   4.7346   8.3047   2.3355   9.0518   2.2297 -0.7470322 3.228961 
1 1 1   15   24    8 f   32.159   2.2185  123.197   16.744  120.700   23.667  125.700   23.691   31.676   3.2084   32.344   3.1416 -0.6678753 4.490389 
1 1 1   15   24    9 o   65.038   3.7084  507.048   56.718  459.100   80.167  555.100   80.255   61.282   5.6018   67.632   5.0619 -6.350155 7.550081 
1 1 1   15   24   10 o   47.150   2.8655  265.388   31.752  269.700   44.970  261.100   44.840   47.273   4.0682   46.492   4.1272 0.7801476 5.795178 
1 1 1   15   24   11 o   43.489   2.7235  225.721   27.828  212.400   39.386  239.000   39.322   41.912   4.0293   44.542   3.7741 -2.630070 5.520773 
1 1 1   15   24   12 o   46.687   2.7970  260.234   30.694  243.700   43.258  277.000   43.559   44.879   4.1282   47.934   3.8817 -3.055134 5.666497 
1 1 1   15   24   13 o   49.632   2.9979  294.534   34.970  292.100   49.295  297.000   49.616   49.105   4.2945   49.520   4.2853 -0.4156532 6.066794 
1 1 1   15   24   14 o   20.689   1.7925   51.088   8.6709   45.300   12.099   57.200   12.433   19.326   2.7270   21.805   2.4574 -2.479624 3.670932 
1 1 1   15   24   15 o   48.917   2.8588  286.024   32.879  251.100   46.317  321.500   46.681   45.443   4.3701   51.623   3.8574 -6.179398 5.829004 
1 1 1   15   24   16 o   69.766   3.9790  586.949   65.279  575.700   92.110  598.300   92.528   68.318   5.7635   69.701   5.6710 -1.382965 8.085639 
1 1 1   15   24   17 o   27.760   2.1822   92.078   14.189  115.100   19.990   68.700   20.144   30.958   2.7636   23.647   3.7313 7.310696 4.643292 
1 1 1   15   24   18 o   41.913   2.6708  210.188   26.295  217.600   37.093  202.700   37.283   42.384   3.7447   40.848   3.9131 1.535744 5.416194 
1 1 1   15   24   19 o   49.270   2.9525  291.126   34.193  282.400   48.155  300.000   48.561   48.115   4.2831   49.639   4.1818 -1.523418 5.986061 
1 1 1   15   24   20 o   18.161   1.8450   39.546   7.8024   46.200   10.917   32.600   11.155   19.548   2.4166   16.251   3.0180 3.297054 3.866313 
1 1 1   15   24   21 o   38.620   2.5703  178.883   23.307  198.400   32.891  159.200   33.031   40.429   3.4791   36.038   3.9459 4.390770 5.260642 
1 1 1   15   24   22 o   22.671   1.7855   61.430   9.4810   79.400   13.473   43.800   13.345   25.712   2.2414   18.850   3.1061 6.861870 3.830383 
1 1 1   15   24   23 o   48.174   2.9557  280.158   33.461  285.100   47.282  275.200   47.359   48.066   4.2082   47.174   4.2986 0.8913040 6.015542 
1 1 1   15   24   24 o   50.886   3.1192  313.991   37.300  357.000   52.725  270.900   52.775   53.719   4.1896   46.366   4.8942 7.353069 6.442525 
1 1 1   15   24   25 o   15.946   1.7626   30.624   6.5259   31.000   8.9692   30.200   9.5130   15.900   2.4690   15.641   2.6715 0.2580395 3.637735 
1 1 1   15   24   26 o   27.920   2.0712   93.645   13.558  100.900   19.181   86.400   19.167   28.770   2.8613   26.522   3.1200 2.248259 4.233410 
1 1 1   15   24   27 o   35.234   2.3603  149.689   19.524  162.800   27.623  136.600   27.600   36.424   3.2456   33.206   3.5764 3.218525 4.829566 
1 1 1   15   24   28 o   6.8453   1.7461   5.7996   2.8313   8.7000   3.9094   2.6000   4.1061   8.3656   2.0051   5.6728   2.1799 2.692819 2.961847 
1 1 1   15   24   29 o   39.067   2.5051  184.655   22.988  204.000   32.548  165.400   32.472   40.656   3.4221   36.377   3.8381 4.279346 5.142169 
1 1 1   15   24   30 o   10.029   1.6679   12.300   3.8111   14.600   5.4503   10.100   5.3312   10.840   2.2043   9.0073   2.4442 1.833171 3.291318 
1 1 1   15   24   31 o   65.295   3.7812  531.236   58.051  608.400   82.184  454.400   82.009   68.429   5.1233   58.047   6.0729 10.38169 7.945330 
1 1 1   15   24   32 o   29.649   2.1213  106.163   14.753  113.900   20.915   98.500   20.814   30.408   2.9499   28.161   3.1861 2.246771 4.342028 
1 1 1   15   24   33 o   10.392   1.6421   13.210   3.8958   15.700   5.5550   10.800   5.4652   11.231   2.1731   9.2734   2.4566 1.957971 3.279810 
1 1 1   15   24   34 o   19.287   1.7240   44.916   7.7692   55.000   11.034   35.000   10.942   21.209   2.2368   16.662   2.8855 4.547398 3.650990 
1 1 1   15   24   35 o   20.258   1.8295   49.726   8.6576   46.700   12.010   53.000   12.492   19.339   2.7038   20.655   2.6202 -1.315907 3.765117 
1 1 1   15   24   36 o   10.119   1.9482   12.768   4.4860   10.400   6.2402   15.300   6.4533   9.0971   2.7055   10.956   2.5433 -1.859315 3.713240 
1 1 1   15   24   37 o   13.449   1.8525   22.234   5.7271   31.100   8.2795   14.100   7.9304   15.805   2.2847   10.468   3.0329 5.337479 3.797191 
1 1 1   15   24   38 o   18.708   2.8820   44.600   12.323   0.0000   0.0000   44.600   12.323  ?   ?    18.708   2.8820 0.000000 2.881966 
1 1 1   15   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   24   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25    0 o   60.493   5.1066  445.800   71.750  445.800   71.750  445.800   71.750   60.493   5.1066   60.493   5.1066 0.000000 0.000000 
1 1 1   15   25    1 o   7.9460   1.7363   7.7652   3.1669   8.8000   4.5588   6.8000   4.4026   8.4664   2.2441   7.5486   2.2788 0.9177461 3.198239 
1 1 1   15   25    2 o   32.880   2.3010  128.828   17.752  145.000   25.045  112.500   25.166   34.772   3.0822   30.505   3.5607 4.266851 4.709370 
1 1 1   15   25    3 o   83.819   4.6164  846.896   91.018  999.900  128.783  694.200  128.654   90.442   6.0653   74.653   7.3955 15.78864 9.564568 
1 1 1   15   25    4 o   77.280   4.3095  718.466   78.329  673.700  110.670  763.400  110.878   74.006   6.3958   78.999   5.9882 -4.993866 8.761547 
1 1 1   15   25    5 o   62.773   3.6082  472.021   53.259  415.600   75.300  528.500   75.339   58.316   5.5346   66.060   4.8640 -7.743603 7.368137 
1 1 1   15   25    6 o   62.180   3.5623  463.083   52.086  395.100   73.625  531.200   73.697   56.826   5.5580   66.258   4.7417 -9.432526 7.305765 
1 1 1   15   25    7 o   13.824   1.6836   22.954   5.3823   25.200   7.6054   20.700   7.6182   14.396   2.3158   12.977   2.5769 1.418784 3.464587 
1 1 1   15   25    8 o   6.7788   1.6858   5.6545   2.6872   4.2000   3.7440   7.2000   3.8592   6.2185   2.1236   7.6686   2.0790 -1.450172 2.971865 
1 1 1   15   25    9 o   72.050   3.9427  623.811   66.826  716.700   94.654  531.500   94.359   76.738   5.2552   65.656   6.1582 11.08183 8.095743 
1 1 1   15   25   10 o   27.864   2.0464   92.536   13.370   88.600   18.875   96.500   18.942   27.113   2.9983   28.332   2.8710 -1.219496 4.151170 
1 1 1   15   25   11 o   29.620   2.1058  104.572   14.633   99.600   20.537  109.700   20.855   28.748   3.0728   30.207   2.9618 -1.458199 4.267845 
1 1 1   15   25   12 o   82.411   4.7052  823.061   91.185  856.500  128.742  789.400  129.168   83.046   6.6201   79.510   6.9495 3.536209 9.597984 
1 1 1   15   25   13 o   39.414   2.5573  185.479   23.672  192.300   33.406  178.600   33.549   39.925   3.5814   38.426   3.7449 1.498779 5.181796 
1 1 1   15   25   14 f   68.112   3.9593  559.244   63.406  590.900   89.536  527.400   89.803   69.365   5.5118   65.333   5.8841 4.031807 8.062364 
1 1 1   15   25   15 o   53.671   3.2794  345.725   41.362  373.700   58.314  317.400   58.678   55.423   4.4945   50.889   4.9455 4.534023 6.682694 
1 1 1   15   25   16 o   45.243   2.7678  244.930   29.427  231.700   41.431  258.400   41.804   43.663   4.0651   46.189   3.8684 -2.526043 5.611527 
1 1 1   15   25   17 o   12.336   1.7459   18.395   4.9437   22.800   6.9564   13.900   7.0272   13.677   2.2308   10.602   2.7746 3.074682 3.560201 
1 1 1   15   25   18 o   14.032   1.6746   23.670   5.4392   25.200   7.6430   22.100   7.7422   14.373   2.3319   13.403   2.5393 0.9703445 3.447543 
1 1 1   15   25   19 o   9.3906   1.8890   10.844   4.0436   15.600   5.4891   5.2000   5.9793   11.270   2.1410   7.3119   2.6662 3.957603 3.419372 
1 1 1   15   25   20 o   36.579   2.4217  160.309   20.799  161.700   29.318  158.900   29.513   36.470   3.4451   36.133   3.5030 0.3374557 4.913224 
1 1 1   15   25   21 o   42.116   2.7212  213.337   26.918  227.900   37.955  198.600   38.181   43.184   3.7595   40.169   4.0820 3.014977 5.549447 
1 1 1   15   25   22 o   55.566   3.3372  374.730   43.585  408.700   61.612  340.700   61.666   57.361   4.5871   52.051   5.0819 5.310040 6.845959 
1 1 1   15   25   23 f   15.433   1.6623   28.631   5.9624   24.400   8.3654   33.000   8.5004   14.043   2.6191   16.472   2.2438 -2.429191 3.448757 
1 1 1   15   25   24 o   14.926   1.7272   26.854   5.9753   30.800   8.3936   22.800   8.5083   15.884   2.3052   13.529   2.7569 2.355218 3.593648 
1 1 1   15   25   25 o   40.968   2.6287  202.808   25.296  214.000   35.761  191.600   35.787   41.643   3.6743   39.275   3.9108 2.368015 5.366101 
1 1 1   15   25   26 o   29.221   2.1170  102.690   14.509  112.900   20.529   92.500   20.508   30.415   2.8932   27.391   3.2331 3.024078 4.338579 
1 1 1   15   25   27 o   29.272   2.1659  103.198   14.865  105.800   20.835  100.500   21.214   29.363   3.0494   28.556   3.2012 0.8067284 4.421114 
1 1 1   15   25   28 o   36.724   2.4024  162.898   20.719  185.900   29.334  140.000   29.268   38.904   3.2221   33.484   3.7670 5.419865 4.957051 
1 1 1   15   25   29 o   9.1889   1.6955   10.379   3.5435   11.200   4.9291   9.5000   5.0977   9.4732   2.2389   8.7457   2.3971 0.7274618 3.280056 
1 1 1   15   25   30 o   20.152   1.8067   48.885   8.5058   47.700   11.955   50.100   12.105   19.693   2.6370   20.201   2.5977 -0.5082531 3.701590 
1 1 1   15   25   31 o   26.453   2.0211   84.399   12.529   85.800   17.726   83.000   17.712   26.388   2.8921   25.929   2.9451 0.4588394 4.127691 
1 1 1   15   25   32 f   24.793   1.9471   74.218   11.307   80.900   16.029   67.600   15.953   25.645   2.6869   23.316   2.9646 2.328724 4.000984 
1 1 1   15   25   33 f   21.635   1.8190   56.530   9.2065   65.600   13.071   47.600   12.970   23.125   2.4300   19.495   2.9062 3.629606 3.788264 
1 1 1   15   25   34 o   10.128   1.6818   12.607   3.8812   15.800   5.5727   9.6000   5.4088   11.247   2.1769   8.7565   2.4949 2.490647 3.311161 
1 1 1   15   25   35 o   13.187   1.6405   21.171   4.9979   8.5000   6.7447   36.600   7.4429   8.4808   2.8505   17.336   1.8466 -8.854973 3.396389 
1 1 1   15   25   36 f   18.485   1.8702   41.668   8.0511   47.200   11.419   36.200   11.353   19.435   2.5497   16.817   2.9674 2.618172 3.912302 
1 1 1   15   25   37 f   15.084   2.7289   29.000   9.3620   0.0000   0.0000   29.000   9.3620  ?   ?    15.084   2.7289 0.000000 2.728916 
1 1 1   15   25   38 o   22.929   3.0010   67.100   15.858   0.0000   0.0000   67.100   15.858  ?   ?    22.929   3.0010 0.000000 3.000969 
1 1 1   15   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   25   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26    0 o   98.178   7.9958  1192.50  182.541  1192.50  182.541  1192.50  182.541   98.178   7.9958   98.178   7.9958 0.000000 0.000000 
1 1 1   15   26    1 o   80.249   4.4943  776.553   84.823  829.100  120.012  724.100  119.904   82.152   6.2329   76.511   6.7042 5.640610 9.154010 
1 1 1   15   26    2 o   83.399   4.6866  840.147   91.921  883.000  130.001  797.300  129.992   84.611   6.5579   80.175   6.9344 4.435280 9.544214 
1 1 1   15   26    3 o   95.276   5.3252  1102.94  119.329  1099.70  168.604  1106.20  168.909   93.726   7.6856   94.011   7.6757 -0.2846756 10.86212 
1 1 1   15   26    4 o  100.962   5.4114  1239.74  128.542  1077.70  181.473  1402.90  182.101   92.215   8.4271  106.168   7.3082 -13.95335 11.15460 
1 1 1   15   26    5 o   66.443   3.7181  529.648   58.102  596.600   82.292  463.100   82.044   70.090   5.0050   61.440   5.7207 8.649822 7.601130 
1 1 1   15   26    6 o   26.938   2.0228   86.491   12.773   88.800   18.098   84.200   18.029   27.170   2.8639   26.436   2.9379 0.7340412 4.102812 
1 1 1   15   26    7 o  103.095   5.7953  1300.00  140.512  1445.00  198.678  1154.90  198.749  107.142   7.9088   94.889   8.9767 12.25288 11.96367 
1 1 1   15   26    8 o   25.122   1.9190   75.222   11.298   82.400   16.066   68.200   15.890   26.198   2.6327   23.764   2.8913 2.434044 3.910333 
1 1 1   15   26    9 o   36.095   2.3937  155.400   20.286  156.300   28.689  154.500   28.689   36.012   3.4145   35.798   3.4361 0.2143822 4.844174 
1 1 1   15   26   10 o   50.306   3.0391  302.799   35.931  302.600   50.756  303.000   50.874   49.947   4.3467   49.978   4.3542 -0.3096390E-01 6.152516 
1 1 1   15   26   11 o   35.539   2.3288  150.636   19.435  128.500   27.416  173.000   27.556   32.565   3.6269   37.957   3.1015 -5.392582 4.772153 
1 1 1   15   26   12 o   32.434   2.2341  125.487   17.006  119.800   23.920  131.300   24.183   31.502   3.2629   33.020   3.1392 -1.517963 4.527810 
1 1 1   15   26   13 o  120.363   6.7802  1808.90  191.921  2110.90  271.486  1507.20  271.349  127.359   9.0869  105.205   11.090 22.15384 14.33710 
1 1 1   15   26   14 o   34.759   2.3865  144.339   19.470  160.900   27.461  127.600   27.608   36.543   3.2151   32.403   3.6731 4.139462 4.881476 
1 1 1   15   26   15 o   86.407   4.6785  909.490   95.104  823.800  133.985  996.500  135.014   80.622   7.1107   89.247   6.4500 -8.625587 9.600240 
1 1 1   15   26   16 o   21.203   1.9142   53.780   9.4808   59.300   13.256   48.000   13.565   22.162   2.5814   19.826   2.9905 2.336029 3.950579 
1 1 1   15   26   17 o   36.006   2.4102  155.120   20.374  157.600   28.702  152.600   28.927   36.059   3.4113   35.453   3.5010 0.6060600 4.888154 
1 1 1   15   26   18 o   23.641   1.9448   66.851   10.761   68.900   15.212   64.800   15.223   23.853   2.7513   23.102   2.8511 0.7512798 3.962107 
1 1 1   15   26   19 o   38.421   2.4142  176.848   21.792  163.100   30.545  191.100   31.099   36.570   3.5831   39.686   3.3498 -3.116089 4.905089 
1 1 1   15   26   20 o   55.371   3.3607  371.559   43.733  475.000   61.815  267.900   61.881   62.175   4.2356   45.772   5.8598 16.40393 7.230332 
1 1 1   15   26   21 o   61.062   3.5117  453.921   50.421  525.200   71.371  382.900   71.242   64.951   4.6849   54.817   5.5816 10.13411 7.287103 
1 1 1   15   26   22 o   26.507   2.0417   84.283   12.681   90.400   17.887   78.100   17.982   27.271   2.8183   25.256   3.0789 2.015337 4.174019 
1 1 1   15   26   23 o   25.555   2.0001   78.372   11.973   86.200   16.908   70.500   16.957   26.632   2.7272   23.963   3.0670 2.668673 4.104160 
1 1 1   15   26   24 o   14.412   1.6820   25.050   5.6166   31.100   7.9768   19.100   7.9099   15.983   2.1696   12.348   2.7797 3.634688 3.526193 
1 1 1   15   26   25 o   74.704   4.4114  699.372   77.473  714.400  109.483  684.300  109.644   73.241   6.3945   71.450   6.5722 1.791069 9.169699 
1 1 1   15   26   26 o   48.412   3.0164  285.592   34.312  303.600   48.468  267.500   48.581   49.213   4.2113   45.964   4.5351 3.248447 6.188899 
1 1 1   15   26   27 o   36.991   2.4358  165.332   21.157  180.900   29.938  149.800   29.904   38.325   3.3416   34.683   3.7087 3.641438 4.992067 
1 1 1   15   26   28 o   22.267   1.8723   59.633   9.7530   73.200   13.801   46.100   13.784   24.549   2.4120   19.217   3.1466 5.332058 3.964659 
1 1 1   15   26   29 o   13.876   1.6056   23.240   5.1638   15.700   7.0255   32.100   7.6156   11.171   2.6945   16.250   2.0289 -5.078819 3.372935 
1 1 1   15   26   30 o   25.632   1.9319   79.110   11.607   95.800   16.460   62.600   16.371   28.043   2.5123   22.397   3.1852 5.645615 4.056711 
1 1 1   15   26   31 o   2.5649   1.1200  -0.2744   1.2821   2.2000   1.6826  -3.7000   1.9798   4.3736   1.4221   2.2879   1.1169 2.085703 1.808312 
1 1 1   15   26   32 o   66.077   3.9863  556.065   61.908  640.900   87.569  471.300   87.533   68.871   5.4286   57.389   6.5780 11.48145 8.528774 
1 1 1   15   26   33 o   6.5183   1.8323   5.2462   2.9378   1.1000   4.3244   8.8000   4.0036   5.2419   2.1609   8.3789   2.0421 -3.136904 2.973151 
1 1 1   15   26   34 o   14.572   1.8673   25.974   6.2772   22.100   8.6425   30.300   9.1324   13.134   2.8671   15.534   2.5801 -2.400436 3.857091 
1 1 1   15   26   35 o   12.733   1.8910   19.978   5.5131   15.400   8.0092   24.100   7.6002   10.926   3.0088   13.851   2.4114 -2.924921 3.855839 
1 1 1   15   26   36 o   25.506   3.0723   82.700   18.132   0.0000   0.0000   82.700   18.132  ?   ?    25.506   3.0723 0.000000 3.072272 
1 1 1   15   26   37 o   22.511   2.9485   64.400   15.296   0.0000   0.0000   64.400   15.296  ?   ?    22.511   2.9485 0.000000 2.948451 
1 1 1   15   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   26   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27    0 o   30.020   3.2045  110.500   22.063  110.500   22.063  110.500   22.063   30.020   3.2045   30.020   3.2045 0.000000 0.000000 
1 1 1   15   27    1 o   71.725   4.2341  620.155   71.395  708.700  100.766  530.900  101.170   76.099   5.6478   65.356   6.6481 10.74332 8.723230 
1 1 1   15   27    2 o   54.534   3.1923  355.847   40.929  337.700   57.799  374.100   57.966   52.715   4.6923   55.579   4.4542 -2.863686 6.469777 
1 1 1   15   27    3 o   30.797   2.1912  113.078   15.831  108.200   22.454  117.900   22.323   29.949   3.2258   31.309   3.0585 -1.360033 4.445244 
1 1 1   15   27    4 o   61.355   3.5688  451.651   51.481  447.500   72.817  455.800   72.794   60.559   5.1406   61.141   5.0882 -0.5826302 7.232923 
1 1 1   15   27    5 f   27.143   2.0272   87.832   12.900   80.800   18.219   94.900   18.266   25.865   3.0412   28.104   2.7893 -2.239100 4.126606 
1 1 1   15   27    6 o   21.771   1.8900   56.591   9.6201   70.000   13.584   43.100   13.626   24.157   2.4136   18.753   3.1912 5.403862 4.001198 
1 1 1   15   27    7 o   73.749   4.1823  656.072   72.535  607.500  102.551  704.700  102.609   70.040   6.2668   75.726   5.7819 -5.685883 8.526604 
1 1 1   15   27    8 o   21.392   1.8778   54.648   9.3894   61.800   13.235   47.400   13.323   22.665   2.5153   19.733   2.9498 2.931667 3.876593 
1 1 1   15   27    9 o   44.271   2.7547  234.235   28.655  231.600   40.412  236.900   40.637   43.742   3.9552   44.250   3.9299 -0.5083084 5.575685 
1 1 1   15   27   10 o   7.8851   1.8519   7.6662   3.3893   7.5000   4.4334   7.9000   5.2577   7.8621   2.2647   8.1480   2.4968 -0.2859478 3.370869 
1 1 1   15   27   11 o   66.339   3.6664  529.590   57.211  655.400   81.041  404.600   80.776   73.391   4.7010   56.990   6.0970 16.40070 7.698864 
1 1 1   15   27   12 o   97.187   5.4816  1160.71  125.286  1150.00  176.843  1171.50  177.521   94.701   7.9825   95.633   7.9326 -0.9324570 11.25375 
1 1 1   15   27   13 o   27.703   2.0477   91.601   13.300   78.400   18.740  105.000   18.880   25.407   3.1942   29.554   2.7364 -4.146389 4.206047 
1 1 1   15   27   14 o   20.719   1.9255   51.376   9.3124   60.100   13.042   42.300   13.302   22.325   2.5178   18.553   3.1487 3.771879 4.031596 
1 1 1   15   27   15 o   21.016   1.8109   52.789   8.8992   45.400   12.376   60.700   12.806   19.302   2.7968   22.441   2.4567 -3.139099 3.722522 
1 1 1   15   27   16 o   32.148   2.3218  123.727   17.507  148.800   24.672   98.300   24.846   35.118   3.0041   28.281   3.8181 6.837351 4.858229 
1 1 1   15   27   17 o   76.318   4.3999  713.502   78.956  713.900  111.370  713.100  111.953   74.896   6.3572   74.819   6.3982 0.7699585E-01 9.019457 
1 1 1   15   27   18 o   52.807   2.9004  335.585   36.028  281.800   50.552  391.100   51.359   47.717   4.5413   56.617   3.8647 -8.900238 5.963146 
1 1 1   15   27   19 o   57.144   3.3018  395.731   44.364  369.800   62.420  422.200   63.064   54.393   4.9128   58.328   4.6164 -3.935139 6.741422 
1 1 1   15   27   20 o   24.659   1.9999   72.921   11.545   77.000   16.188   68.700   16.469   25.171   2.7693   23.696   3.0113 1.474609 4.091072 
1 1 1   15   27   21 o   41.236   2.6396  205.010   25.568  210.500   36.124  199.500   36.193   41.365   3.7387   40.209   3.8593 1.155956 5.373303 
1 1 1   15   27   22 f   22.094   1.9268   58.632   9.9520   72.700   14.033   44.400   14.115   24.502   2.4587   18.873   3.2868 5.628824 4.104650 
1 1 1   15   27   23 o   4.7814   1.5403   2.6408   1.9770   4.7000   2.9210   0.9000   2.6857   6.2367   1.8502   4.2532   1.7218 1.983506 2.527430 
1 1 1   15   27   24 o   8.8626   1.6187   9.6339   3.2628   14.400   4.7000   5.2000   4.5332   10.830   1.9076   6.8494   2.3368 3.980277 3.016508 
1 1 1   15   27   25 o   35.247   2.3885  149.919   19.763  155.400   27.900  144.400   27.997   35.518   3.3667   34.162   3.5211 1.356777 4.871656 
1 1 1   15   27   26 o   21.308   1.8513   54.595   9.2224   58.400   13.052   50.800   13.033   21.866   2.5773   20.314   2.7908 1.551870 3.798800 
1 1 1   15   27   27 o   13.407   1.6803   21.749   5.2031   21.600   7.3326   21.900   7.3842   13.196   2.4432   13.289   2.4431 -0.9343719E-01 3.455165 
1 1 1   15   27   28 o   35.449   2.3992  152.014   19.965  171.200   28.224  132.800   28.244   37.273   3.2390   32.565   3.7408 4.707859 4.948205 
1 1 1   15   27   29 o   42.647   2.7084  221.539   27.133  260.800   38.378  182.300   38.367   45.778   3.5787   37.740   4.3870 8.037537 5.661577 
1 1 1   15   27   30 o   34.443   2.3572  144.003   19.057  139.600   26.960  148.400   26.940   33.387   3.4704   34.498   3.3493 -1.111355 4.822986 
1 1 1   15   27   31 o   30.724   2.1829  114.475   15.734  128.000   22.272  101.000   22.231   32.149   2.9673   28.326   3.3910 3.823372 4.505962 
1 1 1   15   27   32 o   14.703   1.7363   26.260   5.9119   24.800   8.3894   27.700   8.3322   14.039   2.6272   14.911   2.4517 -0.8712978 3.593449 
1 1 1   15   27   33 o   29.291   2.3120  105.004   15.862   79.000   22.588  130.300   22.279   24.503   4.0451   32.304   2.9533 -7.801105 5.008462 
1 1 1   15   27   34 o   26.050   3.0684   85.800   18.513   0.0000   0.0000   85.800   18.513  ?   ?    26.050   3.0684 0.000000 3.068352 
1 1 1   15   27   35 f   28.931   3.3240  107.200   22.296   0.0000   0.0000  107.200   22.296  ?   ?    28.931   3.3240 0.000000 3.323955 
1 1 1   15   27   36 f   31.317   3.3980  126.200   24.725   0.0000   0.0000  126.200   24.725  ?   ?    31.317   3.3980 0.000000 3.397984 
1 1 1   15   27   37 o   31.206   3.4634  126.600   25.091   0.0000   0.0000  126.600   25.091  ?   ?    31.206   3.4634 0.000000 3.463385 
1 1 1   15   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   27   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28    0 o   53.465   4.6395  348.800   57.558  348.800   57.558  348.800   57.558   53.465   4.6395   53.465   4.6395 0.000000 0.000000 
1 1 1   15   28    1 o   32.909   2.2793  129.183   17.604  121.800   24.951  136.500   24.840   31.753   3.3797   33.679   3.1604 -1.926298 4.627124 
1 1 1   15   28    2 o   21.534   1.8555   55.357   9.3434   52.200   13.227   58.500   13.200   20.763   2.7667   22.033   2.5863 -1.269585 3.787291 
1 1 1   15   28    3 o   20.482   1.8147   50.095   8.6863   57.800   12.329   42.500   12.240   21.925   2.4217   18.680   2.8665 3.245659 3.752542 
1 1 1   15   28    4 o   88.816   4.9443  958.950  103.285  902.400  145.939  1015.70  146.196   84.682   7.3718   90.198   6.9167 -5.516441 10.10859 
1 1 1   15   28    5 o   96.219   5.3810  1131.50  121.770  1096.90  172.086  1166.20  172.331   92.928   7.9177   96.047   7.6621 -3.118156 11.01803 
1 1 1   15   28    6 o   47.677   2.8416  271.789   31.847  248.700   44.931  295.100   45.146   45.243   4.2556   49.421   3.9002 -4.177921 5.772506 
1 1 1   15   28    7 o   34.747   2.3318  144.095   19.021  141.100   26.877  147.100   26.924   34.183   3.3738   34.924   3.3039 -0.7414513 4.722096 
1 1 1   15   28    8 o   44.013   2.7256  231.636   28.188  225.100   39.672  238.300   40.060   43.090   3.9426   44.368   3.8622 -1.277706 5.519119 
1 1 1   15   28    9 f   53.304   3.0576  340.449   38.325  305.400   53.896  376.300   54.508   50.004   4.6166   55.707   4.1740 -5.703259 6.223752 
1 1 1   15   28   10 o   52.959   3.1835  336.624   39.627  341.300   55.900  331.900   56.182   52.896   4.5187   52.123   4.6122 0.7731171 6.456855 
1 1 1   15   28   11 o   47.121   2.8386  265.904   31.437  249.600   44.329  282.400   44.589   45.270   4.1945   48.256   3.9477 -2.985844 5.760039 
1 1 1   15   28   12 o   56.459   3.1943  382.991   42.412  337.600   59.681  429.300   60.282   52.388   4.8805   59.366   4.3300 -6.978611 6.524462 
1 1 1   15   28   13 f   47.006   2.9109  265.242   32.152  274.600   45.368  255.800   45.572   47.460   4.0880   45.729   4.2696 1.730705 5.911158 
1 1 1   15   28   14 o   51.646   3.1528  321.170   38.265  372.100   54.078  270.100   54.153   55.212   4.1788   46.656   4.9928 8.556248 6.510811 
1 1 1   15   28   15 o   2.7209   1.1711  -0.1355   1.3613   0.6000   1.6888  -1.5000   2.3002   3.3994   1.3692   3.1113   1.4179 0.2881224 1.971074 
1 1 1   15   28   16 o   36.684   2.4363  161.356   20.984  163.000   29.621  159.700   29.731   36.587   3.4700   36.194   3.5233 0.3923759 4.945183 
1 1 1   15   28   17 o   28.054   2.0893   94.262   13.742   93.300   19.552   95.200   19.317   27.692   3.0401   27.995   2.9674 -0.3027077 4.248228 
1 1 1   15   28   18 o   60.702   3.5709  448.945   50.960  432.300   71.950  465.700   72.187   58.520   5.2630   60.894   5.0662 -2.374752 7.305162 
1 1 1   15   28   19 o   26.973   2.0682   87.262   13.073   90.800   18.457   83.700   18.518   27.315   2.9062   26.172   3.0538 1.142498 4.215636 
1 1 1   15   28   20 o   23.520   1.9198   66.347   10.569   61.100   14.943   71.600   14.951   22.338   2.9014   24.275   2.6514 -1.937096 3.930389 
1 1 1   15   28   21 f   21.379   1.8528   54.863   9.2612   59.300   13.078   50.400   13.116   22.076   2.5560   20.263   2.8176 1.813957 3.804226 
1 1 1   15   28   22 o   12.198   1.7002   18.046   4.7642   15.700   6.6624   20.500   6.8152   11.209   2.5718   12.889   2.3249 -1.679799 3.466835 
1 1 1   15   28   23 o   18.934   1.7619   43.075   7.7870   48.100   11.040   38.100   10.985   19.877   2.4007   17.575   2.7361 2.302618 3.639999 
1 1 1   15   28   24 o   16.712   1.7496   33.639   6.8020   25.200   9.6131   42.100   9.6258   14.168   2.9684   18.613   2.2347 -4.445127 3.715587 
1 1 1   15   28   25 o   28.899   2.1332  100.575   14.454  118.200   20.427   82.900   20.456   31.129   2.8092   25.808   3.4424 5.321117 4.443164 
1 1 1   15   28   26 o   31.158   2.2287  117.082   16.289  121.000   22.944  113.100   23.130   31.361   3.1405   30.251   3.2911 1.110273 4.549082 
1 1 1   15   28   27 o   55.752   3.3720  382.702   44.183  412.700   62.482  352.700   62.487   56.832   4.6980   52.128   5.1435 4.704258 6.966074 
1 1 1   15   28   28 o   25.956   2.0116   81.225   12.233   87.200   17.337   75.300   17.263   26.651   2.7965   24.664   3.0277 1.987036 4.121571 
1 1 1   15   28   29 o   26.580   2.0277   85.334   12.631  103.600   17.871   67.100   17.855   29.091   2.6300   23.082   3.3756 6.008326 4.279180 
1 1 1   15   28   30 o   61.793   3.5640  478.693   51.784  563.900   73.345  394.000   73.124   65.616   4.7662   53.452   5.8912 12.16377 7.577800 
1 1 1   15   28   31 o   13.316   1.7166   21.584   5.2721   17.100   7.4842   26.000   7.4278   11.589   2.7722   14.499   2.2418 -2.910307 3.565180 
1 1 1   15   28   32 o   38.075   3.7472  186.100   33.254   0.0000   0.0000  186.100   33.254  ?   ?    38.075   3.7472 0.000000 3.747165 
1 1 1   15   28   33 o   10.311   2.4241   13.500   5.8026   0.0000   0.0000   13.500   5.8026  ?   ?    10.311   2.4241 0.000000 2.424092 
1 1 1   15   28   34 o   16.954   2.6947   36.300   10.427   0.0000   0.0000   36.300   10.427  ?   ?    16.954   2.6947 0.000000 2.694668 
1 1 1   15   28   35 o   48.589   4.8456  325.100   54.854   0.0000   0.0000  325.100   54.854  ?   ?    48.589   4.8456 0.000000 4.845554 
1 1 1   15   28   36 o   37.474   3.8824  185.700   33.857   0.0000   0.0000  185.700   33.857  ?   ?    37.474   3.8824 0.000000 3.882383 
1 1 1   15   28   37 o   19.776   2.8008   49.900   12.714   0.0000   0.0000   49.900   12.714  ?   ?    19.776   2.8008 0.000000 2.800839 
1 1 1   15   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   28   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29    0 o   49.234   4.3561  296.000   49.731  296.000   49.731  296.000   49.731   49.234   4.3561   49.234   4.3561 0.000000 0.000000 
1 1 1   15   29    1 o   10.260   1.9553   12.899   4.5643   5.4000   6.7260   19.300   6.2143   7.6226   2.8198   12.573   2.1715 -4.950861 3.559078 
1 1 1   15   29    2 o   70.318   3.9829  596.762   65.863  564.600   93.017  629.100   93.272   67.527   5.8924   71.477   5.5701 -3.949707 8.108442 
1 1 1   15   29    3 o   15.724   1.6717   29.617   6.1119   20.700   8.5356   39.000   8.7555   12.927   2.8709   18.007   2.0985 -5.079406 3.556126 
1 1 1   15   29    4 o   24.076   1.9523   69.207   11.004   74.500   15.551   63.900   15.572   24.868   2.6913   22.961   2.9394 1.906315 3.985354 
1 1 1   15   29    5 o   17.178   1.8076   35.364   7.2223   28.900   10.307   41.600   10.123   15.309   2.9582   18.560   2.3635 -3.250390 3.786446 
1 1 1   15   29    6 o   42.434   2.6700  215.349   26.617  212.800   37.636  217.900   37.648   41.895   3.8473   42.412   3.7995 -0.5166245 5.407230 
1 1 1   15   29    7 o   7.5761   1.7527   7.0763   3.0732  -3.5000   4.1972   19.300   4.5123   4.0406   1.8684   12.674   1.5394 -8.632910 2.420864 
1 1 1   15   29    8 o  114.246   6.1380  1623.23  164.981  1443.10  232.443  1806.10  234.204  104.039   9.5687  117.893   8.4693 -13.85351 12.77847 
1 1 1   15   29    9 o   62.650   3.5642  473.190   52.510  419.100   74.116  527.700   74.404   58.139   5.4627   65.615   4.8362 -7.475994 7.295856 
1 1 1   15   29   10 o   13.716   1.8112   22.705   5.7228   36.100   8.0474   9.0000   8.1398   17.320   2.0047   9.0833   3.1302 8.236789 3.717116 
1 1 1   15   29   11 o   47.911   2.6787  274.917   30.185  218.700   42.379  332.800   43.003   42.224   4.3109   52.480   3.4900 -10.25631 5.546504 
1 1 1   15   29   12 o   22.042   1.8389   58.079   9.4835   80.200   13.464   36.300   13.360   25.863   2.2264   17.076   3.4323 8.786659 4.091156 
1 1 1   15   29   13 o   67.051   3.8564  546.556   60.802  530.600   85.736  562.700   86.241   65.013   5.6406   67.064   5.4940 -2.050339 7.874019 
1 1 1   15   29   14 o   36.164   2.3174  156.601   19.685  136.700   27.602  177.200   28.082   33.455   3.5481   38.264   3.1355 -4.808975 4.735011 
1 1 1   15   29   15 o   36.175   2.4718  157.133   20.988  168.000   29.503  146.000   29.862   37.141   3.4018   34.496   3.7251 2.644279 5.044678 
1 1 1   15   29   16 o   29.253   2.0242  102.422   13.897   85.800   19.465  119.700   19.846   26.487   3.1754   31.479   2.6959 -4.991417 4.165469 
1 1 1   15   29   17 o   34.695   2.1697  144.223   17.687  118.300   24.678  171.600   25.361   31.062   3.4212   37.661   2.8735 -6.598406 4.467843 
1 1 1   15   29   18 o   24.560   2.0294   72.409   11.664   75.700   16.237   68.900   16.766   24.934   2.8066   23.702   3.0675 1.231203 4.157708 
1 1 1   15   29   19 o   41.240   2.6605  205.297   25.770  204.900   36.323  205.700   36.568   40.733   3.8210   40.804   3.8404 -0.7112503E-01 5.417437 
1 1 1   15   29   20 o   4.1567   1.5121   1.6728   1.9216   4.6000   2.9844  -0.4000   2.5114   6.1943   1.8776   3.6345   1.5775 2.559799 2.452294 
1 1 1   15   29   21 o   53.676   3.2299  351.621   40.748  366.200   57.684  337.100   57.569   53.919   4.5737   51.571   4.7818 2.348072 6.616975 
1 1 1   15   29   22 o   37.051   2.4358  165.617   21.192  159.800   29.885  171.500   30.055   35.957   3.5668   37.314   3.4501 -1.356422 4.962356 
1 1 1   15   29   23 o   28.497   2.1080   97.700   14.085   97.700   19.810   97.700   20.029   28.226   3.0190   28.213   3.0553 0.1281929E-01 4.295214 
1 1 1   15   29   24 o   8.5341   1.7668   9.0000   3.4433   12.800   4.8695   5.2000   4.8695   10.159   2.0993   6.9404   2.4194 3.218920 3.203193 
1 1 1   15   29   25 o   18.377   1.7640   40.647   7.5607   42.600   10.702   38.700   10.683   18.648   2.4927   17.722   2.6329 0.9262848 3.625704 
1 1 1   15   29   26 o   49.448   3.0581  299.068   35.532  305.100   50.175  293.000   50.326   49.075   4.3757   47.999   4.4924 1.076370 6.271222 
1 1 1   15   29   27 o   15.720   1.7154   29.840   6.2640   26.300   8.7859   33.500   8.9331   14.519   2.6608   16.515   2.3576 -1.996022 3.555016 
1 1 1   15   29   28 o   18.351   1.7748   40.649   7.5949   41.000   10.761   40.300   10.720   18.218   2.5731   18.054   2.5888 0.1638660 3.650031 
1 1 1   15   29   29 o   43.518   2.8029  232.585   28.650  251.400   40.480  213.700   40.555   44.474   3.8938   40.680   4.2864 3.793648 5.790931 
1 1 1   15   29   30 o   15.454   1.6941   28.931   6.0811   32.400   8.8293   25.800   8.3876   16.179   2.3824   14.349   2.5698 1.829779 3.504187 
1 1 1   15   29   31 o   45.506   4.3418  272.000   46.089   0.0000   0.0000  272.000   46.089  ?   ?    45.506   4.3418 0.000000 4.341840 
1 1 1   15   29   32 o   6.6225   2.1976   5.1000   4.0107   0.0000   0.0000   5.1000   4.0107  ?   ?    6.6225   2.1976 0.000000 2.197635 
1 1 1   15   29   33 o   26.916   3.0703   91.700   19.165   0.0000   0.0000   91.700   19.165  ?   ?    26.916   3.0703 0.000000 3.070311 
1 1 1   15   29   34 o   22.314   2.9536   63.100   15.181   0.0000   0.0000   63.100   15.181  ?   ?    22.314   2.9536 0.000000 2.953571 
1 1 1   15   29   35 o   31.599   3.4782  129.400   25.523   0.0000   0.0000  129.400   25.523  ?   ?    31.599   3.4782 0.000000 3.478223 
1 1 1   15   29   36 f   10.529   2.8152   14.400   7.1346   0.0000   0.0000   14.400   7.1346  ?   ?    10.529   2.8152 0.000000 2.815155 
1 1 1   15   29   37 o   5.8167   2.3213   2.4000   4.8063   0.0000   0.0000   2.4000   4.8063  ?   ?    5.8167   2.3213 0.000000 2.321306 
1 1 1   15   29   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   29   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30    0 o   33.699   3.4592  139.300   26.862  139.300   26.862  139.300   26.862   33.699   3.4592   33.699   3.4592 0.000000 0.000000 
1 1 1   15   30    1 o   53.254   3.1583  340.491   39.539  325.700   55.806  355.400   56.028   51.591   4.6301   53.985   4.4342 -2.393864 6.410954 
1 1 1   15   30    2 o   9.6258   1.7285   11.316   3.7846   12.100   5.4763   10.600   5.2361   9.8894   2.3749   9.2652   2.3805 0.6242189 3.362636 
1 1 1   15   30    3 o   32.569   2.2452  126.696   17.161  122.900   24.256  130.500   24.283   31.869   3.2695   32.873   3.1675 -1.003983 4.552211 
1 1 1   15   30    4 o   10.787   1.7473   14.147   4.2984   17.600   6.1749   10.900   5.9872   11.972   2.2672   9.4214   2.6043 2.550763 3.452882 
1 1 1   15   30    5 o   21.172   1.7918   53.545   8.8738   62.800   12.622   44.500   12.478   22.850   2.3740   19.099   2.8543 3.750559 3.712540 
1 1 1   15   30    6 o   29.088   2.1148  101.085   14.426   96.900   20.247  105.400   20.560   28.288   3.0809   29.536   2.9890 -1.248652 4.292571 
1 1 1   15   30    7 o   3.1258   1.3590  -0.3398   1.8702  -4.1000   3.1055   1.8000   2.3427   3.1582   1.5052   4.4684   1.6620 -1.310201 2.242253 
1 1 1   15   30    8 o   9.7102   1.8853   11.575   4.1669   2.6000   5.2932   26.200   6.7570   6.2183   2.4504   14.718   1.9957 -8.499668 3.160223 
1 1 1   15   30    9 o   16.574   1.7889   32.979   6.8903   26.700   9.7283   39.300   9.7605   14.686   2.9081   18.014   2.3506 -3.327355 3.739308 
1 1 1   15   30   10 o   21.865   1.9617   57.277   10.021   62.900   13.960   51.300   14.393   22.795   2.6426   20.460   3.0742 2.334833 4.053888 
1 1 1   15   30   11 f   38.617   2.5364  178.894   23.000  195.100   32.483  162.600   32.572   40.069   3.4673   36.432   3.8442 3.636833 5.176825 
1 1 1   15   30   12 f   42.516   2.6001  217.001   25.979  251.600   36.846  182.800   36.633   45.516   3.4540   38.532   4.0887 6.983845 5.352327 
1 1 1   15   30   13 o   30.782   1.9994  113.269   14.454   77.600   20.213  150.600   20.678   25.095   3.5068   35.403   2.4893 -10.30853 4.300480 
1 1 1   15   30   14 o   7.8348   2.0088   7.5890   3.7341   9.9000   4.9722   4.6000   5.6549   8.9399   2.3312   6.9919   2.5858 1.948017 3.481509 
1 1 1   15   30   15 o   48.525   3.0562  285.013   34.840  320.300   49.159  249.400   49.385   50.954   4.1209   44.601   4.7628 6.353447 6.298071 
1 1 1   15   30   16 o   35.108   2.4207  148.253   19.945  179.900   28.162  116.400   28.253   38.465   3.1276   30.582   4.0089 7.883131 5.084543 
1 1 1   15   30   17 o   44.531   2.7763  239.597   29.049  227.600   40.908  251.800   41.257   42.830   4.0947   45.161   3.9072 -2.331715 5.659789 
1 1 1   15   30   18 o   35.892   2.4557  155.251   20.688  165.400   29.114  144.900   29.403   36.722   3.3960   34.233   3.6961 2.488865 5.019339 
1 1 1   15   30   19 o   17.431   1.7914   36.569   7.2688   35.600   10.122   37.600   10.444   17.019   2.6013   17.499   2.6072 -0.4796047 3.682986 
1 1 1   15   30   20 o   44.219   2.8069  237.022   29.156  229.900   41.298  244.100   41.169   42.909   4.1268   44.309   3.9771 -1.399078 5.731279 
1 1 1   15   30   21 o   32.858   2.2885  130.062   17.646  139.600   24.939  120.500   24.970   33.748   3.1665   31.229   3.4433 2.519094 4.677922 
1 1 1   15   30   22 o   24.844   1.9702   74.201   11.464   74.300   16.138   74.100   16.287   24.633   2.8256   24.589   2.8584 0.4400635E-01 4.019204 
1 1 1   15   30   23 o   11.438   1.7483   15.944   4.5720   18.100   6.3349   13.600   6.6051   12.088   2.3035   10.419   2.6719 1.668492 3.527797 
1 1 1   15   30   24 o   34.699   2.3913  145.507   19.474  160.600   27.489  130.300   27.592   36.117   3.2583   32.319   3.6811 3.797756 4.916040 
1 1 1   15   30   25 o   29.998   2.1979  108.604   15.461  127.400   21.834   89.700   21.897   32.257   2.8973   26.774   3.5511 5.483210 4.583057 
1 1 1   15   30   26 o   5.3210   1.6499   3.3632   2.2883   0.6000   2.9852   7.3000   3.5632   4.3225   1.7898   7.6617   1.9612 -3.339200 2.655144 
1 1 1   15   30   27 o   34.615   2.3799  145.479   19.335  149.900   27.255  141.000   27.432   34.670   3.3718   33.540   3.5160 1.130123 4.871511 
1 1 1   15   30   28 o   34.562   2.3619  145.323   19.161  137.500   27.051  153.200   27.144   33.029   3.5228   34.997   3.3246 -1.968407 4.843840 
1 1 1   15   30   29 o   18.960   1.7737   43.465   7.8485   37.200   11.026   49.900   11.174   17.218   2.8087   20.142   2.3965 -2.923893 3.692129 
1 1 1   15   30   30 o   31.414   3.2786  124.600   23.962   0.0000   0.0000  124.600   23.962  ?   ?    31.414   3.2786 0.000000 3.278616 
1 1 1   15   30   31 o   21.544   2.7574   58.100   13.706   0.0000   0.0000   58.100   13.706  ?   ?    21.544   2.7574 0.000000 2.757435 
1 1 1   15   30   32 o   22.291   2.7977   62.400   14.402   0.0000   0.0000   62.400   14.402  ?   ?    22.291   2.7977 0.000000 2.797688 
1 1 1   15   30   33 o   9.5215   2.7948   11.500   6.6952   0.0000   0.0000   11.500   6.6952  ?   ?    9.5215   2.7948 0.000000 2.794810 
1 1 1   15   30   34 o   31.832   3.4892  131.200   25.798   0.0000   0.0000  131.200   25.798  ?   ?    31.832   3.4892 0.000000 3.489244 
1 1 1   15   30   35 o   11.608   2.6713   17.400   7.1702   0.0000   0.0000   17.400   7.1702  ?   ?    11.608   2.6713 0.000000 2.671341 
1 1 1   15   30   36 o   32.979   3.6083  144.800   27.641   0.0000   0.0000  144.800   27.641  ?   ?    32.979   3.6083 0.000000 3.608253 
1 1 1   15   30   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   30   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31    0 o   88.102   7.3147  973.300  149.762  973.300  149.762  973.300  149.762   88.102   7.3147   88.102   7.3147 0.000000 0.000000 
1 1 1   15   31    1 o   50.443   3.0653  306.024   36.339  330.300   51.365  281.700   51.417   51.997   4.2198   47.838   4.6086 4.158516 6.248690 
1 1 1   15   31    2 o   51.630   3.1065  320.748   37.697  318.200   53.290  323.300   53.334   50.917   4.4777   51.341   4.4431 -0.4239006 6.308021 
1 1 1   15   31    3 o   47.890   2.8861  275.429   32.485  254.300   45.865  296.700   46.018   45.535   4.3171   49.345   3.9833 -3.809849 5.874034 
1 1 1   15   31    4 o   14.840   1.6829   26.455   5.7929   14.800   8.0003   39.300   8.3990   10.943   3.0045   18.076   2.0013 -7.133371 3.610057 
1 1 1   15   31    5 o   42.524   2.6262  216.809   26.242  189.100   37.017  244.800   37.206   39.284   4.0486   44.927   3.5356 -5.643345 5.375080 
1 1 1   15   31    6 o   58.651   3.3003  415.149   45.521  375.000   63.907  456.500   64.857   54.977   4.9767   60.935   4.5400 -5.958199 6.736369 
1 1 1   15   31    7 o   9.2734   1.8181   10.564   3.8389   6.9000   4.8517   16.700   6.2780   7.6510   2.4074   11.628   2.3668 -3.977226 3.376036 
1 1 1   15   31    8 o   22.241   2.0376   59.337   10.582   69.200   14.658   48.600   15.293   23.915   2.6396   19.816   3.3901 4.098501 4.296507 
1 1 1   15   31    9 o   45.010   2.6671  243.339   28.221  203.900   39.731  283.500   40.093   40.668   4.1976   48.293   3.5405 -7.624554 5.491368 
1 1 1   15   31   10 o   43.595   2.6198  228.339   26.843  205.000   37.524  252.800   38.416   40.851   3.9388   45.538   3.6020 -4.686619 5.337450 
1 1 1   15   31   11 o   54.673   3.2704  362.247   42.029  360.100   59.393  364.400   59.482   53.771   4.7255   54.107   4.7024 -0.3353729 6.666542 
1 1 1   15   31   12 o   51.222   3.0353  317.188   36.550  293.500   51.408  341.400   51.975   48.572   4.5346   52.587   4.2211 -4.014488 6.195193 
1 1 1   15   31   13 o   48.510   2.9991  284.627   34.186  374.800   48.339  194.400   48.353   55.350   3.7200   38.994   5.3959 16.35670 6.553966 
1 1 1   15   31   14 o   38.402   2.4837  177.410   22.401  170.000   31.391  185.100   31.978   37.202   3.6191   38.871   3.5221 -1.669167 5.050067 
1 1 1   15   31   15 o   59.873   3.4733  437.514   48.895  391.900   68.970  483.600   69.326   55.447   5.3335   62.085   4.7651 -6.638008 7.152138 
1 1 1   15   31   16 o   36.243   2.4116  158.141   20.521  150.600   28.909  165.800   29.136   34.974   3.5496   36.775   3.3934 -1.800831 4.910700 
1 1 1   15   31   17 o   28.124   2.0740   94.989   13.676   89.100   19.242  101.000   19.442   26.960   3.0777   28.780   2.9002 -1.820406 4.228934 
1 1 1   15   31   18 o   41.545   2.6276  208.564   25.644  196.900   36.135  220.400   36.399   39.823   3.8925   42.255   3.6848 -2.432251 5.359993 
1 1 1   15   31   19 o   56.391   3.2932  388.522   43.662  432.400   61.873  345.000   61.622   58.664   4.5008   51.934   5.0902 6.729637 6.794653 
1 1 1   15   31   20 o   51.017   3.1028  317.262   37.202  331.500   52.683  303.100   52.541   51.367   4.3853   48.958   4.5986 2.408581 6.354398 
1 1 1   15   31   21 o   60.249   3.5992  447.143   50.972  452.200   72.137  442.100   72.035   59.280   5.2061   58.555   5.2661 0.7248878 7.405063 
1 1 1   15   31   22 o   6.0524   1.8275   4.4038   2.8312   11.000   4.3883  -0.3000   3.7057   9.4132   2.0336   4.4875   1.9319 4.925700 2.804981 
1 1 1   15   31   23 o   40.707   2.6483  200.988   25.318  211.200   35.739  190.700   35.872   41.216   3.7119   39.023   3.9471 2.193375 5.418290 
1 1 1   15   31   24 o   38.170   2.5217  176.669   22.600  192.600   31.943  160.700   31.980   39.411   3.4676   35.779   3.8456 3.632339 5.178172 
1 1 1   15   31   25 o   12.225   1.7335   18.198   4.8642   18.100   6.8015   18.300   6.9593   12.027   2.4774   12.085   2.5202 -0.5839157E-01 3.533995 
1 1 1   15   31   26 o   11.960   1.7348   17.447   4.7565   19.500   6.6528   15.300   6.8031   12.516   2.3369   11.007   2.6494 1.509725 3.532804 
1 1 1   15   31   27 o   15.971   1.7522   30.899   6.4998   30.500   9.1784   31.300   9.2058   15.645   2.5739   15.863   2.5436 -0.2177382 3.618673 
1 1 1   15   31   28 o   11.618   1.8035   16.560   4.7875   12.000   6.9397   20.700   6.6131   9.7724   2.8388   12.904   2.2523 -3.131137 3.623771 
1 1 1   15   31   29 o   13.154   2.5251   21.800   7.5582   0.0000   0.0000   21.800   7.5582  ?   ?    13.154   2.5251 0.000000 2.525066 
1 1 1   15   31   30 o   25.433   2.9331   81.200   17.292   0.0000   0.0000   81.200   17.292  ?   ?    25.433   2.9331 0.000000 2.933117 
1 1 1   15   31   31 o   24.622   2.9213   76.300   16.654   0.0000   0.0000   76.300   16.654  ?   ?    24.622   2.9213 0.000000 2.921313 
1 1 1   15   31   32 o   19.475   2.9090   48.100   12.968   0.0000   0.0000   48.100   12.968  ?   ?    19.475   2.9090 0.000000 2.908987 
1 1 1   15   31   33 o   25.973   3.1242   86.100   18.777   0.0000   0.0000   86.100   18.777  ?   ?    25.973   3.1242 0.000000 3.124161 
1 1 1   15   31   34 o   22.293   2.9009   63.300   14.909   0.0000   0.0000   63.300   14.909  ?   ?    22.293   2.9009 0.000000 2.900934 
1 1 1   15   31   35 o   12.612   2.7273   20.700   7.8858   0.0000   0.0000   20.700   7.8858  ?   ?    12.612   2.7273 0.000000 2.727304 
1 1 1   15   31   36 o   26.049   3.2191   90.100   19.380   0.0000   0.0000   90.100   19.380  ?   ?    26.049   3.2191 0.000000 3.219126 
1 1 1   15   31   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   31   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   32    0 o   3.0463   1.8660   0.9000   2.5703   0.9000   2.5703   0.9000   2.5703   3.0463   1.8660   3.0463   1.8660 0.000000 0.000000 
1 1 1   15   32    1 o   40.727   2.5647  199.025   24.539  256.200   34.726  142.000   34.681   46.029   3.2151   33.795   4.4544 12.23472 5.493554 
1 1 1   15   32    2 o   51.611   2.9976  320.899   36.375  358.000   51.654  284.400   51.233   54.077   4.0751   47.938   4.5818 6.139366 6.131812 
1 1 1   15   32    3 o   63.262   3.7172  486.663   55.285  491.200   78.076  482.100   78.294   62.614   5.3314   61.980   5.4036 0.6342926 7.590919 
1 1 1   15   32    4 o   95.768   5.5951  1152.75  125.980  1174.80  177.552  1130.40  178.779   93.653   8.1087   91.516   8.3654 2.136948 11.65032 
1 1 1   15   32    5 o   48.596   2.9274  284.608   33.435  267.300   47.093  302.200   47.479   46.529   4.3361   49.611   4.0893 -3.082397 5.960216 
1 1 1   15   32    6 o   68.035   4.0004  566.417   63.985  580.400   90.273  552.300   90.706   67.672   5.7023   65.852   5.8956 1.820702 8.202112 
1 1 1   15   32    7 o   35.676   2.3993  152.765   20.095  155.400   28.341  150.100   28.497   35.694   3.4037   35.046   3.4899 0.6476898 4.874950 
1 1 1   15   32    8 o   25.076   1.9435   75.289   11.418   67.100   15.817   84.200   16.500   23.453   2.9193   26.368   2.6874 -2.915710 3.967965 
1 1 1   15   32    9 o   26.085   1.9586   81.464   11.976   72.000   16.775   91.300   17.102   24.284   2.9885   27.468   2.6705 -3.184578 4.007820 
1 1 1   15   32   10 o   43.384   2.6029  226.447   26.542  198.100   37.244  255.700   37.835   40.060   3.9903   45.764   3.5284 -5.703629 5.326556 
1 1 1   15   32   11 o   55.162   3.3203  369.862   43.047  354.900   60.904  384.800   60.853   53.143   4.9087   55.496   4.6875 -2.352901 6.787345 
1 1 1   15   32   12 o   10.255   2.0357   12.975   4.7557   17.100   6.1829   7.0000   7.4418   11.760   2.3089   8.2744   2.9808 3.485859 3.770435 
1 1 1   15   32   13 o   40.943   2.6936  202.444   25.897  211.400   36.336  193.200   36.918   41.416   3.7563   39.460   4.0181 1.955696 5.500443 
1 1 1   15   32   14 o   22.461   1.9028   60.552   9.9971   51.500   14.026   69.900   14.253   20.444   2.9942   23.997   2.5546 -3.553034 3.935891 
1 1 1   15   32   15 o   49.760   3.1050  301.161   36.302  317.400   51.166  284.700   51.514   50.400   4.3416   47.525   4.6498 2.874821 6.361591 
1 1 1   15   32   16 f   59.636   3.4500  435.222   48.375  402.600   67.974  468.700   68.860   56.127   5.1875   60.890   4.8288 -4.763050 7.087086 
1 1 1   15   32   17 o   40.511   2.6223  198.367   24.951  202.700   35.219  194.000   35.354   40.484   3.7259   39.547   3.8340 0.9370613 5.346182 
1 1 1   15   32   18 f   18.361   1.7043   40.482   7.3052   30.000   10.139   51.800   10.535   15.522   2.8719   20.689   2.1896 -5.167832 3.611446 
1 1 1   15   32   19 f   57.870   3.4267  410.766   46.618  447.500   66.003  374.200   65.852   59.417   4.7438   53.904   5.2398 5.512650 7.068184 
1 1 1   15   32   20 o   33.993   2.3051  139.303   18.394  151.100   26.064  127.600   25.961   35.093   3.1799   32.105   3.4801 2.987389 4.714121 
1 1 1   15   32   21 o   41.866   2.6771  212.534   26.327  223.500   37.260  201.600   37.205   42.406   3.7599   40.142   3.9773 2.264454 5.473228 
1 1 1   15   32   22 o   25.230   1.9997   76.645   11.816   81.100   16.720   72.200   16.700   25.726   2.7974   24.196   2.9863 1.530521 4.091918 
1 1 1   15   32   23 o   65.787   3.8888  541.322   60.142  475.200   85.004  607.600   85.104   59.192   6.1724   68.070   5.3374 -8.878193 8.160020 
1 1 1   15   32   24 o   23.024   2.0207   64.084   10.875   78.900   15.286   48.900   15.475   25.389   2.5858   19.629   3.4653 5.759890 4.323679 
1 1 1   15   32   25 f   16.272   1.7464   32.028   6.6056   35.100   9.3753   29.000   9.3085   16.868   2.4234   15.228   2.6869 1.639743 3.618296 
1 1 1   15   32   26 o   24.984   2.0330   75.604   11.890   75.500   17.143   75.700   16.506   24.606   3.0134   24.693   2.8852 -0.8659172E-01 4.171916 
1 1 1   15   32   27 o   56.737   5.3478  437.800   70.802   0.0000   0.0000  437.800   70.802  ?   ?    56.737   5.3478 0.000000 5.347762 
1 1 1   15   32   28 o   8.5198   2.3907   9.1000   5.0057   0.0000   0.0000   9.1000   5.0057  ?   ?    8.5198   2.3907 0.000000 2.390696 
1 1 1   15   32   29 o   13.679   2.5392   23.600   7.9001   0.0000   0.0000   23.600   7.9001  ?   ?    13.679   2.5392 0.000000 2.539249 
1 1 1   15   32   30 o   16.505   2.5847   34.200   9.7430   0.0000   0.0000   34.200   9.7430  ?   ?    16.505   2.5847 0.000000 2.584680 
1 1 1   15   32   31 o   15.093   2.6307   28.800   9.0346   0.0000   0.0000   28.800   9.0346  ?   ?    15.093   2.6307 0.000000 2.630651 
1 1 1   15   32   32 o   32.835   3.5320  139.600   26.954   0.0000   0.0000  139.600   26.954  ?   ?    32.835   3.5320 0.000000 3.531955 
1 1 1   15   32   33 o   24.520   2.9862   76.700   16.933   0.0000   0.0000   76.700   16.933  ?   ?    24.520   2.9862 0.000000 2.986197 
1 1 1   15   32   34 o   18.103   2.8185   42.200   11.656   0.0000   0.0000   42.200   11.656  ?   ?    18.103   2.8185 0.000000 2.818496 
1 1 1   15   32   35 o   19.225   3.0332   48.800   13.313   0.0000   0.0000   48.800   13.313  ?   ?    19.225   3.0332 0.000000 3.033237 
1 1 1   15   32   36 o   31.955   3.7737  144.000   27.926   0.0000   0.0000  144.000   27.926  ?   ?    31.955   3.7737 0.000000 3.773738 
1 1 1   15   32   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   32   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   32   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   32   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   32   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   33    0 o   15.429   2.8394   31.000   9.3119   31.000   9.3119   31.000   9.3119   15.429   2.8394   15.429   2.8394 0.000000 0.000000 
1 1 1   15   33    1 o   12.561   1.7569   19.109   5.0684   17.900   7.1958   20.300   7.1402   11.998   2.6138   12.823   2.4474 -0.8245811 3.580710 
1 1 1   15   33    2 o   40.294   2.4406  194.865   23.113  164.100   32.487  226.400   32.891   36.525   3.8233   43.183   3.2493 -6.657700 5.017536 
1 1 1   15   33    3 o   64.811   3.7436  512.664   57.049  492.800   80.307  532.900   81.057   62.374   5.5090   65.019   5.3262 -2.644859 7.662710 
1 1 1   15   33    4 o   14.983   1.8334   27.092   6.3514   18.800   8.7338   36.400   9.2531   12.257   3.0339   17.306   2.3228 -5.049763 3.821020 
1 1 1   15   33    5 o   61.067   3.6478  454.979   52.362  477.800   73.922  432.000   74.179   61.638   5.1254   58.364   5.4453 3.273758 7.477987 
1 1 1   15   33    6 o   19.729   1.9292   46.777   8.8725   55.900   12.367   37.100   12.737   21.470   2.4851   17.255   3.2450 4.215107 4.087290 
1 1 1   15   33    7 o   72.883   4.1152  653.859   70.535  594.100   99.469  714.300  100.035   67.648   6.2993   74.811   5.7058 -7.162781 8.499233 
1 1 1   15   33    8 o   39.035   2.6284  183.673   24.086  195.900   33.762  171.000   34.372   39.962   3.6170   37.169   3.9779 2.792648 5.376504 
1 1 1   15   33    9 o   30.671   2.1168  112.819   15.238   91.200   21.365  135.200   21.738   27.214   3.3988   33.412   2.7805 -6.198332 4.391256 
1 1 1   15   33   10 o   39.802   2.6159  191.074   24.449  206.100   34.493  175.900   34.661   40.968   3.6022   37.674   3.9552 3.293255 5.349684 
1 1 1   15   33   11 o   11.959   1.8149   17.407   4.9643   18.000   6.9782   16.800   7.0639   12.028   2.5367   11.600   2.6384 0.4283485 3.660092 
1 1 1   15   33   12 o   29.651   2.1459  105.613   14.923   99.000   20.968  112.400   21.244   28.412   3.1799   30.352   3.0034 -1.940123 4.374023 
1 1 1   15   33   13 o   14.110   1.8464   24.118   6.0043   30.600   8.5128   17.700   8.4701   15.816   2.3509   11.872   3.0155 3.943707 3.823642 
1 1 1   15   33   14 o   61.211   3.6094  459.828   51.939  422.700   73.334  497.200   73.574   57.283   5.4886   62.574   5.0216 -5.290833 7.439186 
1 1 1   15   33   15 o   29.127   2.0920  101.916   14.293   92.200   19.980  112.100   20.455   27.398   3.1452   30.327   2.8912 -2.929056 4.272152 
1 1 1   15   33   16 o   39.739   2.5757  190.817   24.040  181.300   33.940  200.400   34.057   38.218   3.8117   40.291   3.6181 -2.073559 5.255442 
1 1 1   15   33   17 o   45.078   2.8322  246.545   29.994  245.700   42.284  247.400   42.554   44.370   4.0815   44.517   4.0940 -0.1470451 5.780952 
1 1 1   15   33   18 o   23.906   1.9540   68.705   10.934   61.100   15.468   76.300   15.458   22.253   3.0219   25.020   2.6571 -2.766994 4.023912 
1 1 1   15   33   19 o   48.637   2.9713  288.088   33.961  265.700   47.962  310.600   48.096   45.820   4.4906   49.821   4.1253 -4.001377 6.097845 
1 1 1   15   33   20 o   41.099   2.6713  204.945   25.784  186.400   36.509  223.400   36.420   38.507   4.0770   42.423   3.6718 -3.915901 5.486722 
1 1 1   15   33   21 o   31.537   2.2345  120.090   16.533  127.100   23.398  113.100   23.364   32.118   3.1247   30.195   3.3323 1.922819 4.568129 
1 1 1   15   33   22 o   74.304   4.4410  703.714   77.564  767.100  109.724  640.400  109.661   74.957   6.2562   67.354   6.9970 7.603195 9.386082 
1 1 1   15   33   23 o   51.668   3.1627  329.350   38.402  351.400   54.369  307.400   54.247   52.309   4.4437   48.594   4.7898 3.715019 6.533622 
1 1 1   15   33   24 o   11.668   2.4638   17.100   6.5757   0.0000   0.0000   17.100   6.5757  ?   ?    11.668   2.4638 0.000000 2.463816 
1 1 1   15   33   25 f   29.796   3.1740  110.900   21.988   0.0000   0.0000  110.900   21.988  ?   ?    29.796   3.1740 0.000000 3.173976 
1 1 1   15   33   26 o   22.299   2.7708   61.900   14.275   0.0000   0.0000   61.900   14.275  ?   ?    22.299   2.7708 0.000000 2.770810 
1 1 1   15   33   27 o   12.563   2.4904   19.900   7.1269   0.0000   0.0000   19.900   7.1269  ?   ?    12.563   2.4904 0.000000 2.490403 
1 1 1   15   33   28 o   29.744   3.2049  111.900   22.155   0.0000   0.0000  111.900   22.155  ?   ?    29.744   3.2049 0.000000 3.204896 
1 1 1   15   33   29 o   14.034   2.5060   24.800   8.0002   0.0000   0.0000   24.800   8.0002  ?   ?    14.034   2.5060 0.000000 2.505975 
1 1 1   15   33   30 o   5.0080   1.9386   2.0000   3.2655   0.0000   0.0000   2.0000   3.2655  ?   ?    5.0080   1.9386 0.000000 1.938636 
1 1 1   15   33   31 o   12.364   2.8882   19.800   8.2801   0.0000   0.0000   19.800   8.2801  ?   ?    12.364   2.8882 0.000000 2.888215 
1 1 1   15   33   32 o   6.7175   2.5862   4.0000   5.7870   0.0000   0.0000   4.0000   5.7870  ?   ?    6.7175   2.5862 0.000000 2.586245 
1 1 1   15   33   33 o   40.993   4.3329  233.200   41.306   0.0000   0.0000  233.200   41.306  ?   ?    40.993   4.3329 0.000000 4.332935 
1 1 1   15   33   34 o   22.451   3.0608   66.400   15.804   0.0000   0.0000   66.400   15.804  ?   ?    22.451   3.0608 0.000000 3.060786 
1 1 1   15   33   35 o   10.445   2.8075   14.700   7.0737   0.0000   0.0000   14.700   7.0737  ?   ?    10.445   2.8075 0.000000 2.807526 
1 1 1   15   33   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   33   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   33   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   33   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   33   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   34    0 o   72.913   6.2508  670.100  105.803  670.100  105.803  670.100  105.803   72.913   6.2508   72.913   6.2508 0.000000 0.000000 
1 1 1   15   34    1 o   21.893   1.9492   57.551   9.9714   70.100   14.019   44.700   14.186   24.060   2.5041   18.959   3.2880 5.101397 4.132966 
1 1 1   15   34    2 f   30.599   2.2141  112.429   15.890  115.400   22.364  109.400   22.580   30.753   3.1230   29.894   3.2512 0.8583584 4.508155 
1 1 1   15   34    3 o   18.877   1.8496   42.823   8.1388   44.300   11.422   41.300   11.600   19.043   2.6086   18.338   2.7648 0.7051735 3.801120 
1 1 1   15   34    4 o   46.031   2.8877  256.293   31.229  273.600   44.110  238.900   44.219   47.057   4.0078   43.788   4.3334 3.269718 5.902633 
1 1 1   15   34    5 o   46.029   2.9409  256.526   31.798  311.400   44.898  201.300   45.042   50.325   3.8063   39.876   4.8857 10.44904 6.193401 
1 1 1   15   34    6 o   32.654   2.3093  128.202   17.691  132.600   24.875  123.700   25.166   32.931   3.2409   31.737   3.4115 1.193661 4.705519 
1 1 1   15   34    7 o   27.124   2.0664   88.311   13.135   92.600   18.553   84.000   18.600   27.568   2.8931   26.193   3.0652 1.375441 4.214903 
1 1 1   15   34    8 o   40.428   2.6707  197.392   25.352  217.100   35.725  177.400   35.982   42.017   3.6366   37.745   4.1032 4.271965 5.482802 
1 1 1   15   34    9 o   35.784   2.3818  154.124   20.011  143.900   28.128  164.600   28.474   34.181   3.5361   36.663   3.3252 -2.482182 4.853997 
1 1 1   15   34   10 o   42.445   2.7336  217.846   27.253  221.100   38.276  214.500   38.813   42.268   3.8781   41.566   4.0039 0.7021942 5.574117 
1 1 1   15   34   11 o   48.495   2.7548  284.292   31.417  237.800   44.010  332.600   44.862   43.591   4.3330   52.006   3.6768 -8.415375 5.682755 
1 1 1   15   34   12 o   45.997   2.8485  256.349   30.787  240.800   43.332  272.200   43.751   43.907   4.2317   46.839   3.9938 -2.931675 5.818734 
1 1 1   15   34   13 o   44.858   2.8461  243.953   29.992  252.900   42.291  234.900   42.540   45.108   4.0122   43.355   4.2083 1.753845 5.814459 
1 1 1   15   34   14 o   22.311   1.9157   59.823   9.9948   52.200   13.813   68.200   14.480   20.582   2.9243   23.658   2.6368 -3.075722 3.937567 
1 1 1   15   34   15 o   73.013   4.2555  664.893   73.051  624.400  103.111  705.700  103.510   68.442   6.4563   73.306   6.0333 -4.864143 8.836527 
1 1 1   15   34   16 o   42.191   2.6371  215.416   26.141  201.000   36.800  230.100   37.140   40.159   3.9311   43.124   3.6825 -2.965427 5.386496 
1 1 1   15   34   17 o   53.388   3.2858  349.032   41.222  389.100   58.237  308.800   58.357   55.549   4.4778   48.976   5.1217 6.573235 6.803160 
1 1 1   15   34   18 o   54.822   3.3013  368.667   42.537  386.500   60.212  350.900   60.101   55.128   4.6693   52.306   4.9239 2.822273 6.785819 
1 1 1   15   34   19 o   35.650   2.3578  153.600   19.736  173.600   27.982  133.800   27.841   37.563   3.1846   32.728   3.6654 4.835331 4.855605 
1 1 1   15   34   20 o   36.272   2.4373  159.493   20.755  160.500   29.448  158.500   29.257   35.891   3.5199   35.665   3.5199 0.2261581 4.977924 
1 1 1   15   34   21 f   58.639   3.5864  428.158   49.421  399.400   69.963  456.800   69.822   54.791   5.4811   59.111   5.0507 -4.320084 7.453288 
1 1 1   15   34   22 o   74.956   4.4288  721.679   78.041  783.000  110.612  660.900  110.122   75.095   6.2959   67.857   6.9716 7.237679 9.393726 
1 1 1   15   34   23 f   50.141   4.6628  328.300   54.575   0.0000   0.0000  328.300   54.575  ?   ?    50.141   4.6628 0.000000 4.662804 
1 1 1   15   34   24 o   24.697   2.9003   75.900   16.592   0.0000   0.0000   75.900   16.592  ?   ?    24.697   2.9003 0.000000 2.900260 
1 1 1   15   34   25 o   27.581   3.0601   95.300   19.594   0.0000   0.0000   95.300   19.594  ?   ?    27.581   3.0601 0.000000 3.060105 
1 1 1   15   34   26 o   23.587   2.8578   69.600   15.592   0.0000   0.0000   69.600   15.592  ?   ?    23.587   2.8578 0.000000 2.857782 
1 1 1   15   34   27 o   14.551   2.5214   26.600   8.3494   0.0000   0.0000   26.600   8.3494  ?   ?    14.551   2.5214 0.000000 2.521400 
1 1 1   15   34   28 o   13.642   2.5453   23.500   7.8980   0.0000   0.0000   23.500   7.8980  ?   ?    13.642   2.5453 0.000000 2.545276 
1 1 1   15   34   29 o   37.067   3.7295  178.300   32.201   0.0000   0.0000  178.300   32.201  ?   ?    37.067   3.7295 0.000000 3.729537 
1 1 1   15   34   30 o   32.381   3.5067  135.600   26.385   0.0000   0.0000  135.600   26.385  ?   ?    32.381   3.5067 0.000000 3.506665 
1 1 1   15   34   31 o   10.875   2.8696   15.400   7.4759   0.0000   0.0000   15.400   7.4759  ?   ?    10.875   2.8696 0.000000 2.869559 
1 1 1   15   34   32 o   33.165   3.6797  147.100   28.332   0.0000   0.0000  147.100   28.332  ?   ?    33.165   3.6797 0.000000 3.679732 
1 1 1   15   34   33 o   15.664   2.7083   32.000   9.6553   0.0000   0.0000   32.000   9.6553  ?   ?    15.664   2.7083 0.000000 2.708264 
1 1 1   15   34   34 o   17.742   2.9546   42.100   11.943   0.0000   0.0000   42.100   11.943  ?   ?    17.742   2.9546 0.000000 2.954605 
1 1 1   15   34   35 o   9.1838   2.7665   11.400   6.4938   0.0000   0.0000   11.400   6.4938  ?   ?    9.1838   2.7665 0.000000 2.766479 
1 1 1   15   34   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   34   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   34   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   34   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35    0 o   29.746   3.2096  109.400   21.880  109.400   21.880  109.400   21.880   29.746   3.2096   29.746   3.2096 0.000000 0.000000 
1 1 1   15   35    1 o   37.091   2.4817  165.750   21.610  182.300   30.562  149.200   30.562   38.583   3.3888   34.719   3.7893 3.863968 5.083589 
1 1 1   15   35    2 o   24.153   1.9978   70.060   11.292   66.900   15.753   73.400   16.195   23.376   2.9173   24.519   2.8503 -1.143509 4.078573 
1 1 1   15   35    3 f   15.605   1.7761   29.355   6.4281   26.700   9.0156   32.100   9.1676   14.678   2.7006   16.182   2.4782 -1.503271 3.665308 
1 1 1   15   35    4 f   32.963   2.3388  130.768   18.087  157.800   25.523  103.500   25.635   36.006   3.0301   28.820   3.8641 7.186457 4.910486 
1 1 1   15   35    5 o   5.5263   1.8686   3.3838   2.8986   1.5000   3.4090   8.3000   5.5072   4.9215   1.9578   8.3095   2.5568 -3.388030 3.220317 
1 1 1   15   35    6 o   23.865   2.0038   68.428   11.188   76.500   15.700   60.100   15.947   25.076   2.6936   22.067   3.1497 3.009735 4.144405 
1 1 1   15   35    7 o   17.431   2.0115   36.730   8.1277   54.100   11.241   17.700   11.766   21.138   2.2885   12.021   3.7435 9.117340 4.387625 
1 1 1   15   35    8 o   62.176   3.6255  474.236   52.999  448.800   74.570  500.200   75.341   59.158   5.3975   62.707   5.1330 -3.548904 7.448571 
1 1 1   15   35    9 o   38.961   2.6377  183.449   24.124  197.200   33.817  169.200   34.423   40.005   3.6190   36.853   4.0209 3.152073 5.409666 
1 1 1   15   35   10 o   53.574   3.1918  349.755   40.196  328.400   56.526  371.600   57.171   50.960   4.7522   54.420   4.4890 -3.459785 6.537179 
1 1 1   15   35   11 o   62.944   3.7440  488.057   55.396  489.400   78.128  486.700   78.559   61.660   5.4210   61.441   5.4720 0.2186470 7.702578 
1 1 1   15   35   12 o   35.501   2.4225  151.993   20.187  159.000   28.461  144.900   28.637   35.960   3.3918   34.231   3.5966 1.729206 4.943614 
1 1 1   15   35   13 o   26.508   2.0270   84.447   12.592   94.400   17.901   74.700   17.715   27.836   2.7598   24.622   3.1166 3.213421 4.162895 
1 1 1   15   35   14 f   28.674   1.9661   98.657   13.232   80.000   18.299  119.100   19.155   25.489   3.1045   31.335   2.6125 -5.846800 4.057446 
1 1 1   15   35   15 o   34.555   2.2050  143.663   17.899  118.600   25.005  170.000   25.632   30.944   3.4825   37.345   2.9301 -6.400965 4.551210 
1 1 1   15   35   16 o   14.171   1.9214   24.417   6.2636   30.600   8.5346   17.200   9.2214   15.791   2.3613   11.688   3.2325 4.103186 4.003119 
1 1 1   15   35   17 o   7.9779   1.7773   7.8918   3.2624   6.7000   4.5101   9.2000   4.7250   7.4726   2.3162   8.5983   2.2873 -1.125661 3.255220 
1 1 1   15   35   18 o   20.112   1.8557   48.768   8.7138   50.800   12.424   46.800   12.225   20.320   2.6526   19.466   2.7350 0.8540173 3.810089 
1 1 1   15   35   19 o   19.607   1.8155   46.351   8.3099   53.300   11.838   39.600   11.668   20.870   2.4486   17.826   2.8694 3.044823 3.772089 
1 1 1   15   35   20 o   34.469   2.4765  144.598   20.023  115.900   28.466  172.700   28.170   30.053   4.1196   37.310   3.2292 -7.256630 5.234423 
1 1 1   15   35   21 o   29.547   3.1566  108.700   21.683   0.0000   0.0000  108.700   21.683  ?   ?    29.547   3.1566 0.000000 3.156609 
1 1 1   15   35   22 o   29.465   3.1675  108.400   21.692   0.0000   0.0000  108.400   21.692  ?   ?    29.465   3.1675 0.000000 3.167496 
1 1 1   15   35   23 o   24.917   2.9107   77.400   16.803   0.0000   0.0000   77.400   16.803  ?   ?    24.917   2.9107 0.000000 2.910727 
1 1 1   15   35   24 o   44.034   4.2174  252.800   43.317   0.0000   0.0000  252.800   43.317  ?   ?    44.034   4.2174 0.000000 4.217444 
1 1 1   15   35   25 o   12.387   2.5241   19.400   7.1322   0.0000   0.0000   19.400   7.1322  ?   ?    12.387   2.5241 0.000000 2.524091 
1 1 1   15   35   26 o   16.896   2.6245   35.800   10.132   0.0000   0.0000   35.800   10.132  ?   ?    16.896   2.6245 0.000000 2.624534 
1 1 1   15   35   27 f   14.274   2.6535   25.800   8.6143   0.0000   0.0000   25.800   8.6143  ?   ?    14.274   2.6535 0.000000 2.653471 
1 1 1   15   35   28 o   5.3982   2.0443   2.6000   3.5785   0.0000   0.0000   2.6000   3.5785  ?   ?    5.3982   2.0443 0.000000 2.044341 
1 1 1   15   35   29 o   27.860   3.1427   99.000   20.314   0.0000   0.0000   99.000   20.314  ?   ?    27.860   3.1427 0.000000 3.142681 
1 1 1   15   35   30 o   38.078   3.9697  194.300   35.169   0.0000   0.0000  194.300   35.169  ?   ?    38.078   3.9697 0.000000 3.969650 
1 1 1   15   35   31 o   20.153   2.9874   52.800   13.786   0.0000   0.0000   52.800   13.786  ?   ?    20.153   2.9874 0.000000 2.987374 
1 1 1   15   35   32 o   10.443   2.7740   14.500   6.9563   0.0000   0.0000   14.500   6.9563  ?   ?    10.443   2.7740 0.000000 2.773964 
1 1 1   15   35   33 o   11.002   3.0282   16.600   8.1154   0.0000   0.0000   16.600   8.1154  ?   ?    11.002   3.0282 0.000000 3.028184 
1 1 1   15   35   34 o   16.748   2.8801   38.000   10.979   0.0000   0.0000   38.000   10.979  ?   ?    16.748   2.8801 0.000000 2.880105 
1 1 1   15   35   35 o   5.1427   2.1382   1.3000   4.2858   0.0000   0.0000   1.3000   4.2858  ?   ?    5.1427   2.1382 0.000000 2.138249 
1 1 1   15   35   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   35   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   36    0 o   40.547   3.8586  203.100   36.177  203.100   36.177  203.100   36.177   40.547   3.8586   40.547   3.8586 0.000000 0.000000 
1 1 1   15   36    1 o   49.922   3.0097  302.493   35.313  371.200   50.053  234.400   49.828   54.833   3.8909   42.885   5.0152 11.94843 6.347576 
1 1 1   15   36    2 o   54.452   3.1970  360.953   40.927  306.700   57.696  415.900   58.064   49.085   5.0498   57.787   4.2857 -8.701538 6.623273 
1 1 1   15   36    3 o   23.367   2.0290   65.666   11.084   65.300   16.050   66.000   15.327   23.049   3.0216   23.223   2.8551 -0.1732864 4.157128 
1 1 1   15   36    4 o   22.312   1.9748   59.861   10.297   61.700   14.334   57.900   14.801   22.467   2.7599   21.697   2.9668 0.7703743 4.052029 
1 1 1   15   36    5 o   50.484   2.9025  308.927   34.456  242.400   48.521  376.600   48.937   43.731   4.7764   55.277   3.7717 -11.54653 6.086037 
1 1 1   15   36    6 o   29.041   2.2144  101.509   15.071  109.100   21.034   93.500   21.605   29.877   3.0230   27.512   3.3979 2.365086 4.547987 
1 1 1   15   36    7 o   36.482   2.4039  160.352   20.593  150.900   28.975  170.000   29.272   34.972   3.5582   37.219   3.3671 -2.247169 4.898814 
1 1 1   15   36    8 o   27.249   2.0009   89.122   12.785   80.300   17.720   98.700   18.464   25.596   2.9879   28.475   2.7815 -2.878687 4.082196 
1 1 1   15   36    9 o   30.790   2.1966  114.042   15.866  135.200   22.442   92.900   22.434   33.326   2.8801   27.351   3.5578 5.975613 4.577417 
1 1 1   15   36   10 o   42.099   2.4354  213.604   24.107  168.500   33.542  261.800   34.672   36.768   3.9238   46.295   3.1911 -9.526817 5.057598 
1 1 1   15   36   11 o   61.245   3.5773  461.187   51.511  566.800   72.921  356.000   72.774   67.037   4.6350   51.909   6.0506 15.12813 7.621863 
1 1 1   15   36   12 o   5.8015   1.9335   3.8009   3.1033   4.3000   3.7990   2.8000   5.3801   6.2518   2.1392   6.2895   2.4729 -0.3772688E-01 3.269781 
1 1 1   15   36   13 o   46.021   2.9398  257.919   31.781  266.600   44.645  249.000   45.251   46.113   4.1442   44.411   4.3715 1.702274 6.023684 
1 1 1   15   36   14 o   34.069   2.3938  140.322   19.135  150.200   26.898  130.200   27.228   34.894   3.3038   32.325   3.6298 2.569637 4.908203 
1 1 1   15   36   15 o   15.064   1.7944   27.467   6.2571   26.900   8.6154   28.100   9.1023   14.722   2.5719   15.031   2.6619 -0.3091316 3.701369 
1 1 1   15   36   16 o   26.621   2.0423   85.450   12.741   91.700   18.018   79.200   18.018   27.329   2.8332   25.289   3.0809 2.039831 4.185604 
1 1 1   15   36   17 o   32.486   2.1630  127.424   16.497  153.300   23.481  102.200   23.184   35.375   2.8348   28.553   3.5125 6.821741 4.513708 
1 1 1   15   36   18 o   27.012   2.0452   88.137   12.949  100.600   18.762   76.800   17.894   28.593   2.8153   24.831   3.1207 3.762247 4.202875 
1 1 1   15   36   19 o   7.1879   2.2463   6.2000   4.2322   0.0000   0.0000   6.2000   4.2322  ?   ?    7.1879   2.2463 0.000000 2.246320 
1 1 1   15   36   20 o   8.0499   2.4690   7.9000   5.1401   0.0000   0.0000   7.9000   5.1401  ?   ?    8.0499   2.4690 0.000000 2.469007 
1 1 1   15   36   21 o   33.333   3.3816  139.900   26.248   0.0000   0.0000  139.900   26.248  ?   ?    33.333   3.3816 0.000000 3.381604 
1 1 1   15   36   22 o   33.994   3.4497  146.200   27.307   0.0000   0.0000  146.200   27.307  ?   ?    33.994   3.4497 0.000000 3.449675 
1 1 1   15   36   23 o   9.9661   2.5164   12.600   5.9229   0.0000   0.0000   12.600   5.9229  ?   ?    9.9661   2.5164 0.000000 2.516351 
1 1 1   15   36   24 o   19.538   2.6851   47.700   12.061   0.0000   0.0000   47.700   12.061  ?   ?    19.538   2.6851 0.000000 2.685081 
1 1 1   15   36   25 f   13.877   2.5787   24.300   8.1389   0.0000   0.0000   24.300   8.1389  ?   ?    13.877   2.5787 0.000000 2.578726 
1 1 1   15   36   26 o   9.0689   2.5553   10.400   5.7063   0.0000   0.0000   10.400   5.7063  ?   ?    9.0689   2.5553 0.000000 2.555264 
1 1 1   15   36   27 f   16.590   2.6271   34.700   9.9485   0.0000   0.0000   34.700   9.9485  ?   ?    16.590   2.6271 0.000000 2.627066 
1 1 1   15   36   28 o   24.784   2.9429   78.000   16.886   0.0000   0.0000   78.000   16.886  ?   ?    24.784   2.9429 0.000000 2.942869 
1 1 1   15   36   29 f   6.6372   2.5275   4.1000   5.4888   0.0000   0.0000   4.1000   5.4888  ?   ?    6.6372   2.5275 0.000000 2.527487 
1 1 1   15   36   30 o   16.697   2.8431   36.300   10.808   0.0000   0.0000   36.300   10.808  ?   ?    16.697   2.8431 0.000000 2.843128 
1 1 1   15   36   31 o   18.089   2.9635   43.400   12.220   0.0000   0.0000   43.400   12.220  ?   ?    18.089   2.9635 0.000000 2.963533 
1 1 1   15   36   32 o   9.0870   2.7226   11.000   6.3019   0.0000   0.0000   11.000   6.3019  ?   ?    9.0870   2.7226 0.000000 2.722595 
1 1 1   15   36   33 o   18.539   2.9445   46.700   12.459   0.0000   0.0000   46.700   12.459  ?   ?    18.539   2.9445 0.000000 2.944455 
1 1 1   15   36   34 o   8.4013   2.7593   9.4000   6.3289   0.0000   0.0000   9.4000   6.3289  ?   ?    8.4013   2.7593 0.000000 2.759339 
1 1 1   15   36   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   36   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   36   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   37    0 o   35.725   3.6045  157.900   29.697  157.900   29.697  157.900   29.697   35.725   3.6045   35.725   3.6045 0.000000 0.000000 
1 1 1   15   37    1 o   4.9014   1.9000   1.8187   3.1398   6.3000   5.3770  -0.5000   3.8678   7.5025   2.5450   4.5337   1.9627 2.968835 3.213923 
1 1 1   15   37    2 o   47.556   2.9854  274.828   33.355  279.600   47.033  270.000   47.310   47.288   4.2576   46.396   4.3698 0.8924675 6.100985 
1 1 1   15   37    3 o   23.455   2.9261   67.500   15.854   0.0000   0.0000   67.500   15.854  ?   ?    23.455   2.9261 0.000000 2.926142 
1 1 1   15   37    4 o   18.565   1.9031   41.535   8.2246   34.500   11.792   48.200   11.477   16.610   3.1211   19.878   2.5005 -3.267986 3.999264 
1 1 1   15   37    5 o   7.4018   2.3356   6.4908   4.5637   17.100   6.1619  -6.4000   6.7922   11.748   2.3034   4.9955   2.3326 6.753014 3.278213 
1 1 1   15   37    6 o   24.627   1.9534   72.848   11.267   47.100   15.872   99.000   15.996   19.326   3.6107   28.624   2.3884 -9.297901 4.329154 
1 1 1   15   37    7 o   5.9021   2.0788   3.6612   3.6001   9.0000   4.4942  -5.9000   6.0143   8.5127   2.2146   4.6682   2.1847 3.844499 3.110877 
1 1 1   15   37    8 o   33.700   2.3468  136.939   18.559  149.400   26.205  124.400   26.288   34.898   3.2162   31.678   3.5770 3.220894 4.810219 
1 1 1   15   37    9 o   52.672   3.1242  338.604   38.685  292.800   54.505  385.100   54.915   47.851   4.8926   55.453   4.2256 -7.601891 6.464746 
1 1 1   15   37   10 o   39.980   2.5746  193.491   24.177  181.700   34.106  205.400   34.276   38.170   3.8359   40.728   3.6011 -2.557438 5.261384 
1 1 1   15   37   11 o   46.193   2.8549  259.717   30.988  245.500   43.548  274.300   44.105   44.127   4.2312   46.796   4.0306 -2.668907 5.843675 
1 1 1   15   37   12 o   24.991   2.0206   75.264   11.822   84.700   16.707   65.800   16.731   26.311   2.7287   23.014   3.1622 3.297035 4.176746 
1 1 1   15   37   13 o   45.896   2.8868  257.185   31.127  250.300   43.973  264.100   44.068   44.443   4.2415   45.744   4.1241 -1.300827 5.915946 
1 1 1   15   37   14 o   41.926   2.7146  214.161   26.731  218.600   37.758  209.700   37.848   41.704   3.8786   40.775   3.9817 0.9296646 5.558569 
1 1 1   15   37   15 o   23.638   1.8847   67.316   10.432   51.600   14.455   84.400   15.071   20.308   3.1137   26.315   2.4537 -6.006811 3.964358 
1 1 1   15   37   16 o   36.021   2.3050  157.199   19.503  179.800   27.933  135.700   27.243   38.136   3.1295   32.875   3.5666 5.261147 4.744947 
1 1 1   15   37   17 o   21.342   2.7732   56.400   13.645   0.0000   0.0000   56.400   13.645  ?   ?    21.342   2.7732 0.000000 2.773212 
1 1 1   15   37   18 o   26.099   2.9545   84.600   17.888   0.0000   0.0000   84.600   17.888  ?   ?    26.099   2.9545 0.000000 2.954549 
1 1 1   15   37   19 f   8.1270   2.3395   8.2000   4.7324   0.0000   0.0000   8.2000   4.7324  ?   ?    8.1270   2.3395 0.000000 2.339497 
1 1 1   15   37   20 o   39.528   3.8401  200.000   35.391   0.0000   0.0000  200.000   35.391  ?   ?    39.528   3.8401 0.000000 3.840088 
1 1 1   15   37   21 o   30.056   3.2330  113.800   22.585   0.0000   0.0000  113.800   22.585  ?   ?    30.056   3.2330 0.000000 3.232985 
1 1 1   15   37   22 o   6.7806   2.2168   5.4000   4.0865   0.0000   0.0000   5.4000   4.0865  ?   ?    6.7806   2.2168 0.000000 2.216802 
1 1 1   15   37   23 o   11.244   2.6249   16.100   6.8424   0.0000   0.0000   16.100   6.8424  ?   ?    11.244   2.6249 0.000000 2.624880 
1 1 1   15   37   24 o   19.384   2.6612   47.000   11.859   0.0000   0.0000   47.000   11.859  ?   ?    19.384   2.6612 0.000000 2.661225 
1 1 1   15   37   25 f   21.855   2.8266   60.100   14.246   0.0000   0.0000   60.100   14.246  ?   ?    21.855   2.8266 0.000000 2.826618 
1 1 1   15   37   26 o   16.050   2.5936   32.500   9.4946   0.0000   0.0000   32.500   9.4946  ?   ?    16.050   2.5936 0.000000 2.593611 
1 1 1   15   37   27 o   21.501   2.8111   58.700   13.931   0.0000   0.0000   58.700   13.931  ?   ?    21.501   2.8111 0.000000 2.811081 
1 1 1   15   37   28 o   8.2814   2.6776   8.5000   5.9702   0.0000   0.0000   8.5000   5.9702  ?   ?    8.2814   2.6776 0.000000 2.677628 
1 1 1   15   37   29 o   6.9841   2.4524   5.6000   5.0077   0.0000   0.0000   5.6000   5.0077  ?   ?    6.9841   2.4524 0.000000 2.452436 
1 1 1   15   37   30 o   22.463   3.0603   67.100   15.810   0.0000   0.0000   67.100   15.810  ?   ?    22.463   3.0603 0.000000 3.060278 
1 1 1   15   37   31 o   8.8914   2.6009   10.500   5.8072   0.0000   0.0000   10.500   5.8072  ?   ?    8.8914   2.6009 0.000000 2.600886 
1 1 1   15   37   32 o   5.8423   2.1918   3.5000   4.0915   0.0000   0.0000   3.5000   4.0915  ?   ?    5.8423   2.1918 0.000000 2.191750 
1 1 1   15   37   33 o   8.5766   2.6221   9.9000   5.8025   0.0000   0.0000   9.9000   5.8025  ?   ?    8.5766   2.6221 0.000000 2.622071 
1 1 1   15   37   34 o   8.5878   2.5955  10.0000   5.7089   0.0000   0.0000  10.0000   5.7089  ?   ?    8.5878   2.5955 0.000000 2.595470 
1 1 1   15   37   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   38    0 o   8.4885   3.1345   11.500   5.8222   11.500   5.8222   11.500   5.8222   8.4885   3.1345   8.4885   3.1345 0.000000 0.000000 
1 1 1   15   38    1 o   13.271   1.8057   21.377   5.5116   5.1000   7.4900   40.600   8.1396   7.7167   2.9492   18.345   1.9068 -10.62848 3.511941 
1 1 1   15   38    2 o   18.671   1.9136   42.049   8.3180   37.500   12.042   46.200   11.504   17.338   3.0527   19.424   2.5712 -2.086647 3.991260 
1 1 1   15   38    3 o   49.610   3.0755  300.254   35.851  305.600   50.922  295.000   50.483   49.220   4.4287   48.321   4.4751 0.8985176 6.295998 
1 1 1   15   38    4 o   35.322   2.3885  150.622   19.805  169.200   28.145  132.400   27.873   37.113   3.2441   32.611   3.6842 4.501736 4.908947 
1 1 1   15   38    5 o   21.529   1.9488   55.833   9.7999   59.100   13.790   52.500   13.929   21.958   2.7177   20.610   2.9459 1.348013 4.008068 
1 1 1   15   38    6 o   44.946   2.8392  245.752   29.978  223.500   42.303  268.200   42.488   42.050   4.3218   46.359   3.9179 -4.309357 5.833364 
1 1 1   15   38    7 o   22.732   1.9811   62.271   10.528   66.300   14.943   58.300   14.834   23.242   2.7776   21.716   2.9708 1.526808 4.067055 
1 1 1   15   38    8 o   6.4409   1.9899   4.9563   3.3320   1.7000   3.9949   12.400   6.0400   5.2926   2.1149   9.9487   2.5570 -4.656147 3.318336 
1 1 1   15   38    9 o   38.719   2.6271  182.140   23.878  218.400   33.680  145.500   33.856   42.015   3.4246   33.762   4.3476 8.252647 5.534403 
1 1 1   15   38   10 o   83.895   4.0364  880.585   79.964  645.900  111.810  1126.30  114.407   67.819   7.0865   93.019   5.2298 -25.19985 8.807334 
1 1 1   15   38   11 o   24.741   2.0197   73.861   11.697   88.300   16.535   59.400   16.548   26.874   2.6398   21.758   3.3265 5.115543 4.246623 
1 1 1   15   38   12 o   10.978   2.0729   14.926   5.1765   15.100   6.8796   14.700   7.8593   10.942   2.6832   10.798   2.9833 0.1433220 4.012442 
1 1 1   15   38   13 o   54.745   3.3748  371.603   43.414  372.300   61.260  370.900   61.535   53.407   4.9126   53.270   4.9485 0.1374664 6.972872 
1 1 1   15   38   14 o   15.959   2.8967   32.000   10.514   0.0000   0.0000   32.000   10.514  ?   ?    15.959   2.8967 0.000000 2.896672 
1 1 1   15   38   15 o   23.776   2.8466   70.000   15.664   0.0000   0.0000   70.000   15.664  ?   ?    23.776   2.8466 0.000000 2.846555 
1 1 1   15   38   16 o   7.2881   2.2722   6.4000   4.3331   0.0000   0.0000   6.4000   4.3331  ?   ?    7.2881   2.2722 0.000000 2.272161 
1 1 1   15   38   17 o   9.0134   2.4689   10.200   5.4096   0.0000   0.0000   10.200   5.4096  ?   ?    9.0134   2.4689 0.000000 2.468894 
1 1 1   15   38   18 o   33.613   3.4295  142.700   26.840   0.0000   0.0000  142.700   26.840  ?   ?    33.613   3.4295 0.000000 3.429475 
1 1 1   15   38   19 o   10.313   2.5781   13.500   6.2613   0.0000   0.0000   13.500   6.2613  ?   ?    10.313   2.5781 0.000000 2.578073 
1 1 1   15   38   20 o   1.2090   0.6118  -3.0000   0.8611   0.0000   0.0000  -3.0000   0.8611  ?   ?    1.2090   0.6118 0.000000 0.6117549 
1 1 1   15   38   21 o   45.806   4.3796  276.100   46.794   0.0000   0.0000  276.100   46.794  ?   ?    45.806   4.3796 0.000000 4.379599 
1 1 1   15   38   22 o   32.136   3.3697  131.200   25.190   0.0000   0.0000  131.200   25.190  ?   ?    32.136   3.3697 0.000000 3.369745 
1 1 1   15   38   23 o   15.041   2.5817   28.500   8.8390   0.0000   0.0000   28.500   8.8390  ?   ?    15.041   2.5817 0.000000 2.581679 
1 1 1   15   38   24 o   13.301   2.5287   22.400   7.6518   0.0000   0.0000   22.400   7.6518  ?   ?    13.301   2.5287 0.000000 2.528705 
1 1 1   15   38   25 o   15.145   2.6028   29.100   8.9728   0.0000   0.0000   29.100   8.9728  ?   ?    15.145   2.6028 0.000000 2.602795 
1 1 1   15   38   26 o   21.217   2.7861   57.300   13.621   0.0000   0.0000   57.300   13.621  ?   ?    21.217   2.7861 0.000000 2.786144 
1 1 1   15   38   27 o   6.2301   2.1149   4.5000   3.7130   0.0000   0.0000   4.5000   3.7130  ?   ?    6.2301   2.1149 0.000000 2.114873 
1 1 1   15   38   28 o   23.724   3.1102   74.500   17.004   0.0000   0.0000   74.500   17.004  ?   ?    23.724   3.1102 0.000000 3.110192 
1 1 1   15   38   29 o   31.535   3.7006  139.100   27.033   0.0000   0.0000  139.100   27.033  ?   ?    31.535   3.7006 0.000000 3.700577 
1 1 1   15   38   30 o   3.3502   1.5168  -1.3000   2.5785   0.0000   0.0000  -1.3000   2.5785  ?   ?    3.3502   1.5168 0.000000 1.516789 
1 1 1   15   38   31 o   13.933   2.9306   26.700   9.3360   0.0000   0.0000   26.700   9.3360  ?   ?    13.933   2.9306 0.000000 2.930566 
1 1 1   15   38   32 o   3.8195   1.7850  -3.4000   3.9909   0.0000   0.0000  -3.4000   3.9909  ?   ?    3.8195   1.7850 0.000000 1.784987 
1 1 1   15   38   33 o   8.8951   2.7408   10.800   6.3257   0.0000   0.0000   10.800   6.3257  ?   ?    8.8951   2.7408 0.000000 2.740782 
1 1 1   15   38   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   39    0 o   38.556   3.7455  184.600   33.362  184.600   33.362  184.600   33.362   38.556   3.7455   38.556   3.7455 0.000000 0.000000 
1 1 1   15   39    1 o   5.8249   2.1020   3.4145   3.7025  -3.4000   6.0477   7.5000   4.6827   5.1035   2.3155   7.8458   2.3460 -2.742306 3.296296 
1 1 1   15   39    2 o   51.166   3.0959  320.661   37.229  288.900   52.255  353.400   53.053   47.440   4.7277   52.872   4.2862 -5.432251 6.381435 
1 1 1   15   39    3 o   52.919   3.1470  343.423   39.147  291.900   55.085  396.000   55.645   47.462   4.9897   56.012   4.2385 -8.549793 6.546905 
1 1 1   15   39    4 o   32.249   3.3592  129.000   25.205   0.0000   0.0000  129.000   25.205  ?   ?    32.249   3.3592 0.000000 3.359169 
1 1 1   15   39    5 o   11.144   2.2109   15.427   5.6125   22.500   8.1340   9.0000   7.7541   13.409   2.6628   8.9138   3.0561 4.495471 4.053400 
1 1 1   15   39    6 o   72.973   4.3992  676.406   75.450  631.700  106.710  721.100  106.695   67.341   6.8039   72.796   6.2680 -5.455040 9.251049 
1 1 1   15   39    7 o   53.955   3.2814  359.144   41.609  328.700   58.506  390.300   59.187   50.218   5.0003   55.155   4.5860 -4.936596 6.784823 
1 1 1   15   39    8 o   29.686   2.2570  106.719   15.703   95.700   22.436  117.300   21.985   27.612   3.5212   30.819   3.0615 -3.206808 4.666002 
1 1 1   15   39    9 o   19.711   2.0144   47.082   9.2440   36.800   13.126   57.200   13.021   16.998   3.3891   21.573   2.6091 -4.575228 4.277060 
1 1 1   15   39   10 o   15.222   1.7987   28.091   6.3403   29.700   8.8572   26.400   9.0799   15.478   2.5092   14.508   2.7510 0.9702806 3.723504 
1 1 1   15   39   11 o   43.833   2.8340  235.451   29.177  235.300   41.404  235.600   41.123   42.958   4.1327   43.011   4.0985 -0.5307770E-01 5.820418 
1 1 1   15   39   12 o   18.077   2.7682   40.700   11.440   0.0000   0.0000   40.700   11.440  ?   ?    18.077   2.7682 0.000000 2.768186 
1 1 1   15   39   13 o   19.995   2.7630   49.700   12.697   0.0000   0.0000   49.700   12.697  ?   ?    19.995   2.7630 0.000000 2.763014 
1 1 1   15   39   14 o   20.356   2.6823   51.400   12.580   0.0000   0.0000   51.400   12.580  ?   ?    20.356   2.6823 0.000000 2.682299 
1 1 1   15   39   15 o   31.867   3.3146  127.600   24.577   0.0000   0.0000  127.600   24.577  ?   ?    31.867   3.3146 0.000000 3.314579 
1 1 1   15   39   16 o   25.925   2.9999   84.000   18.025   0.0000   0.0000   84.000   18.025  ?   ?    25.925   2.9999 0.000000 2.999877 
1 1 1   15   39   17 o   14.438   2.6054   26.200   8.5559   0.0000   0.0000   26.200   8.5559  ?   ?    14.438   2.6054 0.000000 2.605438 
1 1 1   15   39   18 o   8.7489   2.4644   9.6000   5.3086   0.0000   0.0000   9.6000   5.3086  ?   ?    8.7489   2.4644 0.000000 2.464432 
1 1 1   15   39   19 o   40.753   3.9648  214.600   37.671   0.0000   0.0000  214.600   37.671  ?   ?    40.753   3.9648 0.000000 3.964803 
1 1 1   15   39   20 o   53.544   5.1489  392.600   64.298   0.0000   0.0000  392.600   64.298  ?   ?    53.544   5.1489 0.000000 5.148904 
1 1 1   15   39   21 o   28.157   3.1338  100.200   20.483   0.0000   0.0000  100.200   20.483  ?   ?    28.157   3.1338 0.000000 3.133832 
1 1 1   15   39   22 o   29.857   3.2503  113.400   22.545   0.0000   0.0000  113.400   22.545  ?   ?    29.857   3.2503 0.000000 3.250264 
1 1 1   15   39   23 o   3.9965   1.6805   0.3000   2.6919   0.0000   0.0000   0.3000   2.6919  ?   ?    3.9965   1.6805 0.000000 1.680458 
1 1 1   15   39   24 o   20.758   2.7712   54.700   13.245   0.0000   0.0000   54.700   13.245  ?   ?    20.758   2.7712 0.000000 2.771235 
1 1 1   15   39   25 o   28.475   3.2542  105.800   21.489   0.0000   0.0000  105.800   21.489  ?   ?    28.475   3.2542 0.000000 3.254247 
1 1 1   15   39   26 o   2.6372   1.2253  -1.6000   1.8377   0.0000   0.0000  -1.6000   1.8377  ?   ?    2.6372   1.2253 0.000000 1.225314 
1 1 1   15   39   27 o   13.772   2.8872   25.300   9.0888   0.0000   0.0000   25.300   9.0888  ?   ?    13.772   2.8872 0.000000 2.887157 
1 1 1   15   39   28 o   13.026   2.7929   22.800   8.3325   0.0000   0.0000   22.800   8.3325  ?   ?    13.026   2.7929 0.000000 2.792910 
1 1 1   15   39   29 o   8.7571   2.6655   10.200   6.0056   0.0000   0.0000   10.200   6.0056  ?   ?    8.7571   2.6655 0.000000 2.665515 
1 1 1   15   39   30 o   10.721   2.9389   16.000   7.6620   0.0000   0.0000   16.000   7.6620  ?   ?    10.721   2.9389 0.000000 2.938904 
1 1 1   15   39   31 o   6.1724   2.3294   4.0000   4.6359   0.0000   0.0000   4.0000   4.6359  ?   ?    6.1724   2.3294 0.000000 2.329425 
1 1 1   15   39   32 o   8.8004   2.6083   10.500   5.8072   0.0000   0.0000   10.500   5.8072  ?   ?    8.8004   2.6083 0.000000 2.608290 
1 1 1   15   39   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40    0 o   17.375   3.0856   39.400   11.470   39.400   11.470   39.400   11.470   17.375   3.0856   17.375   3.0856 0.000000 0.000000 
1 1 1   15   40    1 o   26.064   2.0891   82.106   12.749   82.400   17.855   81.800   18.211   25.808   2.9849   25.682   3.0635 0.1258698 4.277213 
1 1 1   15   40    2 o   17.162   1.8673   35.660   7.4454   40.300   10.410   30.800   10.653   18.090   2.5040   15.634   2.9948 2.456264 3.903637 
1 1 1   15   40    3 o   29.540   2.2338  105.666   15.466  103.400   21.949  107.900   21.797   28.811   3.2850   29.484   3.1812 -0.6734676 4.572909 
1 1 1   15   40    4 o   25.347   2.1082   77.727   12.504   63.800   17.831   91.200   17.538   22.478   3.4711   27.246   2.7643 -4.767487 4.437267 
1 1 1   15   40    5 f   22.874   2.0504   63.320   10.958   55.500   15.837   70.500   15.176   20.994   3.3038   23.929   2.7350 -2.934475 4.288945 
1 1 1   15   40    6 o   38.047   2.5868  176.458   23.103  153.900   32.750  198.800   32.594   34.728   4.0709   39.893   3.4952 -5.164837 5.365509 
1 1 1   15   40    7 o   14.294   1.8934   24.900   6.2336   18.100   8.8157   31.700   8.8157   11.918   3.1023   16.024   2.4039 -4.105940 3.924650 
1 1 1   15   40    8 o   10.484   2.0495   13.657   4.8921   13.000   6.7132   14.400   7.1439   10.151   2.7378   10.665   2.8008 -0.5137129 3.916612 
1 1 1   15   40    9 o   39.263   3.8678  196.000   35.394   0.0000   0.0000  196.000   35.394  ?   ?    39.263   3.8678 0.000000 3.867753 
1 1 1   15   40   10 o   50.310   4.7063  332.000   55.262   0.0000   0.0000  332.000   55.262  ?   ?    50.310   4.7063 0.000000 4.706348 
1 1 1   15   40   11 o   15.649   2.8736   30.900   10.228   0.0000   0.0000   30.900   10.228  ?   ?    15.649   2.8736 0.000000 2.873648 
1 1 1   15   40   12 o  ?   ?   -7.7000   0.9763   0.0000   0.0000  -7.7000   0.9763  ?   ?   ?   ?  0.000000      ? 
1 1 1   15   40   13 o   24.367   2.9403   74.100   16.577   0.0000   0.0000   74.100   16.577  ?   ?    24.367   2.9403 0.000000 2.940329 
1 1 1   15   40   14 o   33.903   3.4657  145.400   27.356   0.0000   0.0000  145.400   27.356  ?   ?    33.903   3.4657 0.000000 3.465721 
1 1 1   15   40   15 o   29.345   3.1902  108.200   21.750   0.0000   0.0000  108.200   21.750  ?   ?    29.345   3.1902 0.000000 3.190207 
1 1 1   15   40   16 o   18.303   2.6594   41.800   11.157   0.0000   0.0000   41.800   11.157  ?   ?    18.303   2.6594 0.000000 2.659351 
1 1 1   15   40   17 o   25.053   2.9273   78.500   16.991   0.0000   0.0000   78.500   16.991  ?   ?    25.053   2.9273 0.000000 2.927260 
1 1 1   15   40   18 o   35.029   3.5515  156.700   28.970   0.0000   0.0000  156.700   28.970  ?   ?    35.029   3.5515 0.000000 3.551465 
1 1 1   15   40   19 o   37.570   3.7532  182.200   32.852   0.0000   0.0000  182.200   32.852  ?   ?    37.570   3.7532 0.000000 3.753242 
1 1 1   15   40   20 o   5.4687   2.0643   2.7000   3.6410   0.0000   0.0000   2.7000   3.6410  ?   ?    5.4687   2.0643 0.000000 2.064255 
1 1 1   15   40   21 o   26.968   3.0856   92.500   19.296   0.0000   0.0000   92.500   19.296  ?   ?    26.968   3.0856 0.000000 3.085636 
1 1 1   15   40   22 o   6.7983   2.2808   5.4000   4.3181   0.0000   0.0000   5.4000   4.3181  ?   ?    6.7983   2.2808 0.000000 2.280834 
1 1 1   15   40   23 o   18.509   2.7342   43.800   11.590   0.0000   0.0000   43.800   11.590  ?   ?    18.509   2.7342 0.000000 2.734153 
1 1 1   15   40   24 o   10.042   2.4689   13.100   5.8133   0.0000   0.0000   13.100   5.8133  ?   ?    10.042   2.4689 0.000000 2.468902 
1 1 1   15   40   25 o   13.101   2.5860   22.400   7.7162   0.0000   0.0000   22.400   7.7162  ?   ?    13.101   2.5860 0.000000 2.585960 
1 1 1   15   40   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   40   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41    0 o   23.186   2.9695   67.700   15.528   67.700   15.528   67.700   15.528   23.186   2.9695   23.186   2.9695 0.000000 0.000000 
1 1 1   15   41    1 o   17.624   1.9102   37.697   7.8222   33.200   10.831   42.600   11.309   16.229   2.9344   18.526   2.6615 -2.297777 3.961590 
1 1 1   15   41    2 o   20.885   1.9654   52.852   9.5788   50.600   13.711   55.000   13.388   20.105   2.9780   21.057   2.7589 -0.9519615 4.059527 
1 1 1   15   41    3 o   4.8991   1.9112   1.7833   3.1927   4.9000   5.0441  -0.3000   4.1240   6.8500   2.4555   4.7261   2.0363 2.123882 3.190023 
1 1 1   15   41    4 f   5.4528   1.9958   2.9047   3.3551   2.1000   3.9472   5.0000   6.3691   5.3975   2.1195   7.2910   2.7347 -1.893475 3.459889 
1 1 1   15   41    5 o   25.345   2.9622   79.900   17.394   0.0000   0.0000   79.900   17.394  ?   ?    25.345   2.9622 0.000000 2.962189 
1 1 1   15   41    6 o   26.230   3.0832   85.900   18.733   0.0000   0.0000   85.900   18.733  ?   ?    26.230   3.0832 0.000000 3.083200 
1 1 1   15   41    7 o   14.268   2.6738   25.600   8.6776   0.0000   0.0000   25.600   8.6776  ?   ?    14.268   2.6738 0.000000 2.673761 
1 1 1   15   41    8 o   26.484   3.1503   87.900   19.315   0.0000   0.0000   87.900   19.315  ?   ?    26.484   3.1503 0.000000 3.150269 
1 1 1   15   41    9 o   42.084   4.0965  228.300   40.193   0.0000   0.0000  228.300   40.193  ?   ?    42.084   4.0965 0.000000 4.096462 
1 1 1   15   41   10 o   33.832   3.5765  145.200   28.140   0.0000   0.0000  145.200   28.140  ?   ?    33.832   3.5765 0.000000 3.576530 
1 1 1   15   41   11 o   40.929   3.9650  215.300   37.840   0.0000   0.0000  215.300   37.840  ?   ?    40.929   3.9650 0.000000 3.964967 
1 1 1   15   41   12 o   6.8695   2.3129   5.4000   4.4405   0.0000   0.0000   5.4000   4.4405  ?   ?    6.8695   2.3129 0.000000 2.312891 
1 1 1   15   41   13 o   22.831   2.9208   65.200   15.386   0.0000   0.0000   65.200   15.386  ?   ?    22.831   2.9208 0.000000 2.920779 
1 1 1   15   41   14 o   40.285   3.9893  209.600   37.450   0.0000   0.0000  209.600   37.450  ?   ?    40.285   3.9893 0.000000 3.989289 
1 1 1   15   41   15 o   23.666   2.9604   70.300   16.182   0.0000   0.0000   70.300   16.182  ?   ?    23.666   2.9604 0.000000 2.960364 
1 1 1   15   41   16 o   24.001   2.9262   72.300   16.241   0.0000   0.0000   72.300   16.241  ?   ?    24.001   2.9262 0.000000 2.926191 
1 1 1   15   41   17 o   30.490   3.3043  118.100   23.410   0.0000   0.0000  118.100   23.410  ?   ?    30.490   3.3043 0.000000 3.304350 
1 1 1   15   41   18 o   35.694   3.6371  164.500   30.227   0.0000   0.0000  164.500   30.227  ?   ?    35.694   3.6371 0.000000 3.637065 
1 1 1   15   41   19 o   35.740   3.6764  166.400   30.584   0.0000   0.0000  166.400   30.584  ?   ?    35.740   3.6764 0.000000 3.676362 
1 1 1   15   41   20 f   5.6722   2.1900   2.7000   4.1590   0.0000   0.0000   2.7000   4.1590  ?   ?    5.6722   2.1900 0.000000 2.190042 
1 1 1   15   41   21 o   20.296   2.8680   52.900   13.362   0.0000   0.0000   52.900   13.362  ?   ?    20.296   2.8680 0.000000 2.868032 
1 1 1   15   41   22 o   10.865   2.5915   15.400   6.5556   0.0000   0.0000   15.400   6.5556  ?   ?    10.865   2.5915 0.000000 2.591479 
1 1 1   15   41   23 o   14.754   3.0427   29.100   10.249   0.0000   0.0000   29.100   10.249  ?   ?    14.754   3.0427 0.000000 3.042656 
1 1 1   15   41   24 o   25.881   3.2160   90.100   19.230   0.0000   0.0000   90.100   19.230  ?   ?    25.881   3.2160 0.000000 3.215994 
1 1 1   15   41   25 o   16.391   2.8096   35.800   10.484   0.0000   0.0000   35.800   10.484  ?   ?    16.391   2.8096 0.000000 2.809638 
1 1 1   15   41   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   41   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42    0 o   39.103   3.9047  192.400   35.230  192.400   35.230  192.400   35.230   39.103   3.9047   39.103   3.9047 0.000000 0.000000 
1 1 1   15   42    1 o   36.839   2.5557  166.140   22.095  165.500   31.004  166.800   31.495   36.089   3.6900   36.199   3.7384 -0.1092491 5.252815 
1 1 1   15   42    2 o   7.9316   2.7674   7.0000   6.3716   0.0000   0.0000   7.0000   6.3716  ?   ?    7.9316   2.7674 0.000000 2.767368 
1 1 1   15   42    3 o   9.4606   2.7691   11.200   6.5809   0.0000   0.0000   11.200   6.5809  ?   ?    9.4606   2.7691 0.000000 2.769112 
1 1 1   15   42    4 o   16.625   2.8553   34.800   10.805   0.0000   0.0000   34.800   10.805  ?   ?    16.625   2.8553 0.000000 2.855299 
1 1 1   15   42    5 o   44.949   4.3410  262.900   45.503   0.0000   0.0000  262.900   45.503  ?   ?    44.949   4.3410 0.000000 4.341031 
1 1 1   15   42    6 o   12.877   2.7039   21.000   7.9598   0.0000   0.0000   21.000   7.9598  ?   ?    12.877   2.7039 0.000000 2.703876 
1 1 1   15   42    7 o   24.566   3.0176   75.500   17.136   0.0000   0.0000   75.500   17.136  ?   ?    24.566   3.0176 0.000000 3.017566 
1 1 1   15   42    8 o   19.013   2.8475   45.300   12.391   0.0000   0.0000   45.300   12.391  ?   ?    19.013   2.8475 0.000000 2.847475 
1 1 1   15   42    9 o   41.749   4.0601  224.900   39.519   0.0000   0.0000  224.900   39.519  ?   ?    41.749   4.0601 0.000000 4.060080 
1 1 1   15   42   10 o   25.261   3.0107   79.900   17.605   0.0000   0.0000   79.900   17.605  ?   ?    25.261   3.0107 0.000000 3.010679 
1 1 1   15   42   11 o   20.091   2.7908   50.500   12.882   0.0000   0.0000   50.500   12.882  ?   ?    20.091   2.7908 0.000000 2.790786 
1 1 1   15   42   12 o   25.724   3.0953   83.300   18.424   0.0000   0.0000   83.300   18.424  ?   ?    25.724   3.0953 0.000000 3.095257 
1 1 1   15   42   13 o   17.127   2.9806   37.300   11.617   0.0000   0.0000   37.300   11.617  ?   ?    17.127   2.9806 0.000000 2.980591 
1 1 1   15   42   14 o   23.315   2.8799   68.200   15.518   0.0000   0.0000   68.200   15.518  ?   ?    23.315   2.8799 0.000000 2.879894 
1 1 1   15   42   15 o   37.602   3.8133  183.500   33.391   0.0000   0.0000  183.500   33.391  ?   ?    37.602   3.8133 0.000000 3.813308 
1 1 1   15   42   16 o   9.6204   2.7346   11.800   6.5056   0.0000   0.0000   11.800   6.5056  ?   ?    9.6204   2.7346 0.000000 2.734573 
1 1 1   15   42   17 o   7.5596   2.6950   6.3000   6.0682   0.0000   0.0000   6.3000   6.0682  ?   ?    7.5596   2.6950 0.000000 2.695027 
1 1 1   15   42   18 o   8.0131   2.7294   7.6000   6.1847   0.0000   0.0000   7.6000   6.1847  ?   ?    8.0131   2.7294 0.000000 2.729445 
1 1 1   15   42   19 o   11.704   3.1233   18.200   8.7924   0.0000   0.0000   18.200   8.7924  ?   ?    11.704   3.1233 0.000000 3.123262 
1 1 1   15   42   20 f  ?   ?  -12.1000   2.2724   0.0000   0.0000 -12.1000   2.2724  ?   ?   ?   ?  0.000000      ? 
1 1 1   15   42   21 o   27.993   3.3150  104.500   21.487   0.0000   0.0000  104.500   21.487  ?   ?    27.993   3.3150 0.000000 3.314989 
1 1 1   15   42   22 o   9.6776   2.6091   12.400   6.0982   0.0000   0.0000   12.400   6.0982  ?   ?    9.6776   2.6091 0.000000 2.609100 
1 1 1   15   42   23 o   3.4908   1.6235  -2.7000   3.2383   0.0000   0.0000  -2.7000   3.2383  ?   ?    3.4908   1.6235 0.000000 1.623468 
1 1 1   15   42   24 o   18.823   2.9595   47.700   12.720   0.0000   0.0000   47.700   12.720  ?   ?    18.823   2.9595 0.000000 2.959450 
1 1 1   15   42   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   42   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43    3 o   21.185   2.9918   56.400   14.550   0.0000   0.0000   56.400   14.550  ?   ?    21.185   2.9918 0.000000 2.991782 
1 1 1   15   43    4 o   73.896   7.6755  847.500  131.980   0.0000   0.0000  847.500  131.980  ?   ?    73.896   7.6755 0.000000 7.675474 
1 1 1   15   43    5 o   18.426   3.0378   43.000   12.756   0.0000   0.0000   43.000   12.756  ?   ?    18.426   3.0378 0.000000 3.037768 
1 1 1   15   43    6 o   10.787   2.6335   14.800   6.6498   0.0000   0.0000   14.800   6.6498  ?   ?    10.787   2.6335 0.000000 2.633538 
1 1 1   15   43    7 o   12.185   3.0219   19.100   8.6523   0.0000   0.0000   19.100   8.6523  ?   ?    12.185   3.0219 0.000000 3.021934 
1 1 1   15   43    8 o   21.961   2.9014   60.500   14.677   0.0000   0.0000   60.500   14.677  ?   ?    21.961   2.9014 0.000000 2.901367 
1 1 1   15   43    9 o   30.036   3.4035  114.700   23.714   0.0000   0.0000  114.700   23.714  ?   ?    30.036   3.4035 0.000000 3.403468 
1 1 1   15   43   10 o   14.602   2.9647   27.300   9.8736   0.0000   0.0000   27.300   9.8736  ?   ?    14.602   2.9647 0.000000 2.964728 
1 1 1   15   43   11 o   11.646   2.6373   17.300   7.0840   0.0000   0.0000   17.300   7.0840  ?   ?    11.646   2.6373 0.000000 2.637269 
1 1 1   15   43   12 o   18.450   2.8982   43.200   12.211   0.0000   0.0000   43.200   12.211  ?   ?    18.450   2.8982 0.000000 2.898249 
1 1 1   15   43   13 o   13.977   2.8480   25.100   9.0808   0.0000   0.0000   25.100   9.0808  ?   ?    13.977   2.8480 0.000000 2.847987 
1 1 1   15   43   14 o   7.1294   2.4570   5.8000   5.0150   0.0000   0.0000   5.8000   5.0150  ?   ?    7.1294   2.4570 0.000000 2.456983 
1 1 1   15   43   15 f   10.293   2.7103   13.700   6.6785   0.0000   0.0000   13.700   6.6785  ?   ?    10.293   2.7103 0.000000 2.710343 
1 1 1   15   43   16 o   5.1047   2.2612  -1.4000   5.4028   0.0000   0.0000  -1.4000   5.4028  ?   ?    5.1047   2.2612 0.000000 2.261241 
1 1 1   15   43   17 o   17.895   2.9433   41.700   12.005   0.0000   0.0000   41.700   12.005  ?   ?    17.895   2.9433 0.000000 2.943287 
1 1 1   15   43   18 o   12.497   2.8789   20.700   8.3208   0.0000   0.0000   20.700   8.3208  ?   ?    12.497   2.8789 0.000000 2.878909 
1 1 1   15   43   19 o   23.003   3.0982   70.100   16.401   0.0000   0.0000   70.100   16.401  ?   ?    23.003   3.0982 0.000000 3.098155 
1 1 1   15   43   20 o   38.265   4.2912  213.100   38.107   0.0000   0.0000  213.100   38.107  ?   ?    38.265   4.2912 0.000000 4.291246 
1 1 1   15   43   21 o   9.3999   3.1115   11.700   8.0415   0.0000   0.0000   11.700   8.0415  ?   ?    9.3999   3.1115 0.000000 3.111475 
1 1 1   15   43   22 o   12.303   2.9401   20.700   8.4252   0.0000   0.0000   20.700   8.4252  ?   ?    12.303   2.9401 0.000000 2.940113 
1 1 1   15   43   23 o   10.256   2.9913   14.500   7.6917   0.0000   0.0000   14.500   7.6917  ?   ?    10.256   2.9913 0.000000 2.991331 
1 1 1   15   43   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   43   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44    8 o   7.6498   2.4996   7.0000   5.1961   0.0000   0.0000   7.0000   5.1961  ?   ?    7.6498   2.4996 0.000000 2.499633 
1 1 1   15   44    9 o   10.033   2.8387   12.900   7.0271   0.0000   0.0000   12.900   7.0271  ?   ?    10.033   2.8387 0.000000 2.838684 
1 1 1   15   44   10 o   9.3926   2.9327   11.100   7.2157   0.0000   0.0000   11.100   7.2157  ?   ?    9.3926   2.9327 0.000000 2.932733 
1 1 1   15   44   11 o   6.8575   2.3454   5.4000   4.5668   0.0000   0.0000   5.4000   4.5668  ?   ?    6.8575   2.3454 0.000000 2.345382 
1 1 1   15   44   12 o   27.452   3.1887   97.300   20.286   0.0000   0.0000   97.300   20.286  ?   ?    27.452   3.1887 0.000000 3.188713 
1 1 1   15   44   13 o   7.4655   2.6733   6.2000   5.9769   0.0000   0.0000   6.2000   5.9769  ?   ?    7.4655   2.6733 0.000000 2.673273 
1 1 1   15   44   14 o   14.185   2.7755   26.200   8.9637   0.0000   0.0000   26.200   8.9637  ?   ?    14.185   2.7755 0.000000 2.775527 
1 1 1   15   44   15 o   30.900   3.4397  127.200   24.672   0.0000   0.0000  127.200   24.672  ?   ?    30.900   3.4397 0.000000 3.439670 
1 1 1   15   44   16 o   10.855   3.1976   15.900   8.7501   0.0000   0.0000   15.900   8.7501  ?   ?    10.855   3.1976 0.000000 3.197598 
1 1 1   15   44   17 o   7.4585   2.6064   6.6000   5.6532   0.0000   0.0000   6.6000   5.6532  ?   ?    7.4585   2.6064 0.000000 2.606449 
1 1 1   15   44   18 o   7.7574   2.7401   7.2000   6.2590   0.0000   0.0000   7.2000   6.2590  ?   ?    7.7574   2.7401 0.000000 2.740108 
1 1 1   15   44   19 f   13.748   3.1413   26.000   9.9749   0.0000   0.0000   26.000   9.9749  ?   ?    13.748   3.1413 0.000000 3.141323 
1 1 1   15   44   20 o   23.350   3.2602   74.800   17.486   0.0000   0.0000   74.800   17.486  ?   ?    23.350   3.2602 0.000000 3.260205 
1 1 1   15   44   21 o   7.3406   2.8276   5.6000   6.9204   0.0000   0.0000   5.6000   6.9204  ?   ?    7.3406   2.8276 0.000000 2.827608 
1 1 1   15   44   22 o   12.717   3.1319   22.700   9.3430   0.0000   0.0000   22.700   9.3430  ?   ?    12.717   3.1319 0.000000 3.131936 
1 1 1   15   44   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   44   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   45   14 o   10.680   2.8803   15.300   7.4303   0.0000   0.0000   15.300   7.4303  ?   ?    10.680   2.8803 0.000000 2.880277 
1 1 1   15   45   15 o   25.643   3.1806   88.200   18.845   0.0000   0.0000   88.200   18.845  ?   ?    25.643   3.1806 0.000000 3.180562 
1 1 1   15   45   16 o   7.6780   2.7304   7.0000   6.2249   0.0000   0.0000   7.0000   6.2249  ?   ?    7.6780   2.7304 0.000000 2.730428 
1 1 1   15   45   17 o   12.337   3.2043   21.200   9.4184   0.0000   0.0000   21.200   9.4184  ?   ?    12.337   3.2043 0.000000 3.204335 
1 1 1   15   45   18 o   8.8237   2.9328   10.200   7.1416   0.0000   0.0000   10.200   7.1416  ?   ?    8.8237   2.9328 0.000000 2.932766 
1 1 1   15   45   19 o   11.272   3.0739   17.700   8.4077   0.0000   0.0000   17.700   8.4077  ?   ?    11.272   3.0739 0.000000 3.073886 
1 1 1   15   45   20 o   17.181   3.1649   40.800   12.367   0.0000   0.0000   40.800   12.367  ?   ?    17.181   3.1649 0.000000 3.164892 
1 1 1   15   45   21 o   3.6941   1.7799  -6.5000   4.6134   0.0000   0.0000  -6.5000   4.6134  ?   ?    3.6941   1.7799 0.000000 1.779887 
1 1 1   15   45   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   46   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   47   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   48   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   15   49    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0    0 f  262.569   20.415  8433.60  1248.15  8433.60  1248.15  8433.60  1248.15  262.569   20.415  262.569   20.415 0.000000 0.000000 
1 1 1   16    0    1 o   38.296   2.3233  175.145   20.833  175.145   20.833  175.145   20.833   38.296   2.3233   38.296   2.3233 0.000000 0.000000 
1 1 1   16    0    2 o  319.396   25.798 12975.00  1916.50 12975.00  1916.50 12975.00  1916.50  319.396   25.798  319.396   25.798 0.000000 0.000000 
1 1 1   16    0    3 o  193.259   10.353  4489.74  469.386  4489.74  469.386  4489.74  469.386  193.259   10.353  193.259   10.353 0.000000 0.000000 
1 1 1   16    0    4 o  197.194   15.454  4772.60  709.464  4772.60  709.464  4772.60  709.464  197.194   15.454  197.194   15.454 0.000000 0.000000 
1 1 1   16    0    5 o  282.670   22.595 10046.60  1486.02 10046.60  1486.02 10046.60  1486.02  282.670   22.595  282.670   22.595 0.000000 0.000000 
1 1 1   16    0    6 o  191.007   10.221  4386.24  458.007  4386.24  458.007  4386.24  458.007  191.007   10.221  191.007   10.221 0.000000 0.000000 
1 1 1   16    0    7 f   24.540   1.9391   72.452   11.076   72.452   11.076   72.452   11.076   24.540   1.9391   24.540   1.9391 0.000000 0.000000 
1 1 1   16    0    8 o  141.362   7.7461  2394.39  256.796  2394.39  256.796  2394.39  256.796  141.362   7.7461  141.362   7.7461 0.000000 0.000000 
1 1 1   16    0    9 o  153.657   8.4415  2832.92  304.177  2832.92  304.177  2832.92  304.177  153.657   8.4415  153.657   8.4415 0.000000 0.000000 
1 1 1   16    0   10 o   15.128   1.6889   28.022   5.8404   28.022   5.8404   28.022   5.8404   15.128   1.6889   15.128   1.6889 0.000000 0.000000 
1 1 1   16    0   11 o  155.393   8.4596  2898.00  308.314  2898.00  308.314  2898.00  308.314  155.393   8.4596  155.393   8.4596 0.000000 0.000000 
1 1 1   16    0   12 f   40.531   2.5826  196.461   24.488  196.461   24.488  196.461   24.488   40.531   2.5826   40.531   2.5826 0.000000 0.000000 
1 1 1   16    0   13 o  222.611   12.218  6009.39  637.811  6009.39  637.811  6009.39  637.811  222.611   12.218  222.611   12.218 0.000000 0.000000 
1 1 1   16    0   14 o   46.281   2.8783  256.090   31.177  256.090   31.177  256.090   31.177   46.281   2.8783   46.281   2.8783 0.000000 0.000000 
1 1 1   16    0   15 o   41.599   2.6827  207.061   26.101  207.061   26.101  207.061   26.101   41.599   2.6827   41.599   2.6827 0.000000 0.000000 
1 1 1   16    0   16 o   3.4954   1.8318   2.0897   1.9923   2.0897   1.9923   2.0897   1.9923   3.4954   1.8318   3.4954   1.8318 0.000000 0.000000 
1 1 1   16    0   17 o  136.542   7.1992  2239.65  230.647  2239.65  230.647  2239.65  230.647  136.542   7.1992  136.542   7.1992 0.000000 0.000000 
1 1 1   16    0   18 o  153.226   8.3849  2835.31  301.306  2835.31  301.306  2835.31  301.306  153.226   8.3849  153.226   8.3849 0.000000 0.000000 
1 1 1   16    0   19 o  147.409   8.1601  2627.34  282.051  2627.34  282.051  2627.34  282.051  147.409   8.1601  147.409   8.1601 0.000000 0.000000 
1 1 1   16    0   20 o  174.126   9.6677  3698.37  394.709  3698.37  394.709  3698.37  394.709  174.126   9.6677  174.126   9.6677 0.000000 0.000000 
1 1 1   16    0   21 o   71.101   4.0733  605.639   67.875  605.639   67.875  605.639   67.875   71.101   4.0733   71.101   4.0733 0.000000 0.000000 
1 1 1   16    0   22 o   90.590   5.0590  986.264  107.448  986.264  107.448  986.264  107.448   90.590   5.0590   90.590   5.0590 0.000000 0.000000 
1 1 1   16    0   23 o   75.265   4.2080  679.514   74.253  679.514   74.253  679.514   74.253   75.265   4.2080   75.265   4.2080 0.000000 0.000000 
1 1 1   16    0   24 o   39.277   3.7076  188.000   33.684  188.000   33.684  188.000   33.684   39.277   3.7076   39.277   3.7076 0.000000 0.000000 
1 1 1   16    0   25 o   7.5700   2.9568   9.3000   5.0498   9.3000   5.0498   9.3000   5.0498   7.5700   2.9568   7.5700   2.9568 0.000000 0.000000 
1 1 1   16    0   26 f   19.907   2.7673   49.600   12.290   49.600   12.290   49.600   12.290   19.907   2.7673   19.907   2.7673 0.000000 0.000000 
1 1 1   16    0   27 o   49.540   4.3609  299.500   50.105  299.500   50.105  299.500   50.105   49.540   4.3609   49.540   4.3609 0.000000 0.000000 
1 1 1   16    0   28 o   75.105   6.2422  695.400  108.946  695.400  108.946  695.400  108.946   75.105   6.2422   75.105   6.2422 0.000000 0.000000 
1 1 1   16    0   29 o   77.502   6.4283  742.900  115.781  742.900  115.781  742.900  115.781   77.502   6.4283   77.502   6.4283 0.000000 0.000000 
1 1 1   16    0   30 o   15.541   2.6982   31.100   9.0073   31.100   9.0073   31.100   9.0073   15.541   2.6982   15.541   2.6982 0.000000 0.000000 
1 1 1   16    0   31 o   17.346   2.7508   38.300   10.419   38.300   10.419   38.300   10.419   17.346   2.7508   17.346   2.7508 0.000000 0.000000 
1 1 1   16    0   32 o   25.733   2.9644   81.900   17.392   81.900   17.392   81.900   17.392   25.733   2.9644   25.733   2.9644 0.000000 0.000000 
1 1 1   16    0   33 o   47.527   4.2708  278.700   47.041  278.700   47.041  278.700   47.041   47.527   4.2708   47.527   4.2708 0.000000 0.000000 
1 1 1   16    0   34 f   39.123   3.7332  189.000   33.767  189.000   33.767  189.000   33.767   39.123   3.7332   39.123   3.7332 0.000000 0.000000 
1 1 1   16    0   35 o   3.8377   2.3170   1.7000   3.8412   1.7000   3.8412   1.7000   3.8412   3.8377   2.3170   3.8377   2.3170 0.000000 0.000000 
1 1 1   16    0   36 o   44.458   4.1125  245.900   42.324  245.900   42.324  245.900   42.324   44.458   4.1125   44.458   4.1125 0.000000 0.000000 
1 1 1   16    0   37 o   57.590   5.0978  419.100   68.075  419.100   68.075  419.100   68.075   57.590   5.0978   57.590   5.0978 0.000000 0.000000 
1 1 1   16    0   38 o   32.744   3.3724  133.300   25.442  133.300   25.442  133.300   25.442   32.744   3.3724   32.744   3.3724 0.000000 0.000000 
1 1 1   16    0   39 o   36.458   3.6043  165.600   30.333  165.600   30.333  165.600   30.333   36.458   3.6043   36.458   3.6043 0.000000 0.000000 
1 1 1   16    0   40 o   44.980   4.1974  254.400   43.690  254.400   43.690  254.400   43.690   44.980   4.1974   44.980   4.1974 0.000000 0.000000 
1 1 1   16    0   41 o   3.7398   2.2653   1.6000   3.6954   1.6000   3.6954   1.6000   3.6954   3.7398   2.2653   3.7398   2.2653 0.000000 0.000000 
1 1 1   16    0   42 o   37.899   3.7838  181.700   33.088  181.700   33.088  181.700   33.088   37.899   3.7838   37.899   3.7838 0.000000 0.000000 
1 1 1   16    0   43 o   7.4172   3.4309   9.8000   6.6306   9.8000   6.6306   9.8000   6.6306   7.4172   3.4309   7.4172   3.4309 0.000000 0.000000 
1 1 1   16    0   44 o   11.309   3.3579   19.100   7.8018   19.100   7.8018   19.100   7.8018   11.309   3.3579   11.309   3.3579 0.000000 0.000000 
1 1 1   16    0   45 o   9.9730   3.6407   16.200   7.9010   16.200   7.9010   16.200   7.9010   9.9730   3.6407   9.9730   3.6407 0.000000 0.000000 
1 1 1   16    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1    0 o   84.201   6.7478  856.400  132.184  856.400  132.184  856.400  132.184   84.201   6.7478   84.201   6.7478 0.000000 0.000000 
1 1 1   16    1    1 o   95.703   5.2226  1089.84  117.580  1144.80  166.298  1034.90  166.268   97.749   7.2564   92.834   7.6529 4.915230 10.54623 
1 1 1   16    1    2 o  111.479   6.0572  1481.22  158.851  1562.80  224.626  1399.60  224.672  114.032   8.4012  107.760   8.9093 6.272392 12.24561 
1 1 1   16    1    3 o  189.859   10.345  4350.41  462.034  4676.90  653.207  4023.50  653.623  194.993   14.286  180.138   15.517 14.85481 21.09198 
1 1 1   16    1    4 o  265.974   15.209  8730.58  951.231  9516.70  1343.43  7940.20  1347.06  272.455   21.044  246.457   23.428 25.99791 31.49213 
1 1 1   16    1    5 o  144.752   8.2901  2513.28  282.188  3170.50  398.791  1854.20  399.357  161.908   10.487  122.375   14.076 39.53266 17.55339 
1 1 1   16    1    6 o  159.963   8.5437  3071.05  321.556  3639.00  454.787  2503.30  454.710  173.196   11.180  142.534   13.678 30.66254 17.66562 
1 1 1   16    1    7 o  214.477   11.795  5592.28  595.094  6099.40  841.314  5084.50  841.867  221.242   16.217  200.723   17.951 20.51897 24.19152 
1 1 1   16    1    8 o   96.949   5.1749  1118.76  118.042  1366.90  166.985  870.900  166.888  106.929   6.6462   84.887   8.4375 22.04187 10.74073 
1 1 1   16    1    9 o   95.050   5.2085  1075.81  116.459  1211.20  164.693  940.400  164.702  100.547   6.9798   88.323   7.9834 12.22396 10.60433 
1 1 1   16    1   10 o  102.379   5.6190  1249.40  135.323  1356.40  191.331  1142.30  191.419  106.262   7.6767   97.295   8.4146 8.968002 11.39020 
1 1 1   16    1   11 o   93.275   5.1792  1036.32  113.627  1115.20  160.620  957.300  160.766   96.408   7.1055   89.152   7.7126 7.256546 10.48679 
1 1 1   16    1   12 o  137.902   7.5624  2281.50  245.321  2412.80  346.737  2149.90  347.137  140.809   10.504  132.606   11.191 8.203354 15.34786 
1 1 1   16    1   13 o  128.852   7.0031  1989.54  212.281  2215.70  300.184  1763.30  300.237  135.200   9.4622  120.093   10.699 15.10738 14.28322 
1 1 1   16    1   14 o   64.385   3.7248  492.853   56.388  524.600   79.678  461.000   79.811   66.233   5.1346   62.001   5.5088 4.232548 7.530654 
1 1 1   16    1   15 o   88.673   4.9046  937.570  102.298  1048.00  144.658  827.100  144.685   93.406   6.6010   82.711   7.4891 10.69476 9.983003 
1 1 1   16    1   16 o  125.911   6.8420  1904.95  202.665  2143.80  286.612  1666.10  286.612  132.684   9.2046  116.329   10.549 16.35515 13.99991 
1 1 1   16    1   17 o   17.428   1.6969   36.240   6.8949   38.300   9.7750   34.200   9.7269   17.836   2.3803   16.815   2.5280 1.021284 3.472303 
1 1 1   16    1   18 o  175.954   9.7187  3804.04  402.236  3873.10  568.491  3734.80  569.204  174.018   13.952  170.576   14.262 3.441528 19.95170 
1 1 1   16    1   19 o   67.688   3.8389  546.297   61.106  581.700   86.421  510.900   86.413   69.552   5.3019   65.067   5.6811 4.485222 7.770769 
1 1 1   16    1   20 o   75.611   4.2767  683.531   76.045  734.800  107.511  632.200  107.576   77.980   5.8818   72.150   6.3799 5.830193 8.677518 
1 1 1   16    1   21 o   34.053   2.2794  137.946   18.223  150.800   25.775  125.100   25.767   35.503   3.1058   32.259   3.4354 3.244175 4.631215 
1 1 1   16    1   22 o   66.560   3.6466  529.330   57.096  587.800   80.899  471.300   80.594   69.815   4.9391   62.304   5.5357 7.511265 7.418755 
1 1 1   16    1   23 o   42.696   2.5542  217.060   25.634  252.000   36.299  182.300   36.205   45.880   3.3741   38.860   4.0027 7.020157 5.235108 
1 1 1   16    1   24 o   84.360   4.5190  857.344   89.693  1007.50  126.932  707.600  126.758   90.822   5.9515   75.450   7.2021 15.37202 9.342920 
1 1 1   16    1   25 o   33.552   3.2544  135.500   25.460  135.500   25.460   0.0000   0.0000   33.552   3.2544  ?   ?  0.000000 3.254431 
1 1 1   16    1   26 o   63.834   5.3160  498.500   79.402  498.500   79.402   0.0000   0.0000   63.834   5.3160  ?   ?  0.000000 5.316000 
1 1 1   16    1   27 o   36.894   3.4665  164.300   29.846  164.300   29.846   0.0000   0.0000   36.894   3.4665  ?   ?  0.000000 3.466479 
1 1 1   16    1   28 o   87.437   7.2543  967.300  148.426  967.300  148.426   0.0000   0.0000   87.437   7.2543  ?   ?  0.000000 7.254291 
1 1 1   16    1   29 o   46.020   4.0687  257.500   43.759  257.500   43.759   0.0000   0.0000   46.020   4.0687  ?   ?  0.000000 4.068688 
1 1 1   16    1   30 o   50.136   4.3638  307.500   51.147  307.500   51.147   0.0000   0.0000   50.136   4.3638  ?   ?  0.000000 4.363813 
1 1 1   16    1   31 o   72.558   6.1341  665.500  104.114  665.500  104.114   0.0000   0.0000   72.558   6.1341  ?   ?  0.000000 6.134074 
1 1 1   16    1   32 o   34.640   3.3630  146.200   27.162  146.200   27.162   0.0000   0.0000   34.640   3.3630  ?   ?  0.000000 3.362985 
1 1 1   16    1   33 o   48.013   4.2761  286.000   47.973  286.000   47.973   0.0000   0.0000   48.013   4.2761  ?   ?  0.000000 4.276107 
1 1 1   16    1   34 o   61.510   5.3925  486.000   77.535  486.000   77.535   0.0000   0.0000   61.510   5.3925  ?   ?  0.000000 5.392546 
1 1 1   16    1   35 f   18.217   2.5480   40.700   10.661   40.700   10.661   0.0000   0.0000   18.217   2.5480  ?   ?  0.000000 2.547959 
1 1 1   16    1   36 o   26.843   2.9515   88.600   18.399   88.600   18.399   0.0000   0.0000   26.843   2.9515  ?   ?  0.000000 2.951527 
1 1 1   16    1   37 o   11.054   2.4358   15.300   6.1867   15.300   6.1867   0.0000   0.0000   11.054   2.4358  ?   ?  0.000000 2.435843 
1 1 1   16    1   38 o   24.900   2.8748   76.500   16.593   76.500   16.593   0.0000   0.0000   24.900   2.8748  ?   ?  0.000000 2.874842 
1 1 1   16    1   39 o   35.681   3.5104  159.400   29.194  159.400   29.194   0.0000   0.0000   35.681   3.5104  ?   ?  0.000000 3.510450 
1 1 1   16    1   40 o   8.3054   2.2947   8.6000   4.6497   8.6000   4.6497   0.0000   0.0000   8.3054   2.2947  ?   ?  0.000000 2.294694 
1 1 1   16    1   41 o   20.787   2.7117   53.800   12.994   53.800   12.994   0.0000   0.0000   20.787   2.7117  ?   ?  0.000000 2.711704 
1 1 1   16    1   42 o   12.221   2.4833   18.900   6.9220   18.900   6.9220   0.0000   0.0000   12.221   2.4833  ?   ?  0.000000 2.483295 
1 1 1   16    1   43 o   29.902   3.2504  114.400   22.581  114.400   22.581   0.0000   0.0000   29.902   3.2504  ?   ?  0.000000 3.250381 
1 1 1   16    1   44 o   21.902   2.8654   61.100   14.464   61.100   14.464   0.0000   0.0000   21.902   2.8654  ?   ?  0.000000 2.865426 
1 1 1   16    1   45 f   9.5441   2.4135   11.700   5.4427   11.700   5.4427   0.0000   0.0000   9.5441   2.4135  ?   ?  0.000000 2.413471 
1 1 1   16    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    1   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2    0 o   20.684   2.7178   53.100   12.639   53.100   12.639   53.100   12.639   20.684   2.7178   20.684   2.7178 0.000000 0.000000 
1 1 1   16    2    1 o   24.170   1.9127   69.450   10.827   63.600   15.312   75.300   15.312   23.013   2.8809   25.102   2.6219 -2.089197 3.895368 
1 1 1   16    2    2 o  263.932   14.197  8545.41  881.586  9184.00  1247.19  7907.70  1246.32  269.000   19.773  247.964   21.498 21.03532 29.20840 
1 1 1   16    2    3 o   57.847   3.2234  397.056   43.855  473.500   62.080  320.900   61.962   63.089   4.1909   51.759   5.1376 11.33073 6.630146 
1 1 1   16    2    4 o  131.097   7.0774  2053.65  218.280  2154.60  308.691  1952.70  308.698  133.555   9.8578  126.950   10.389 6.604782 14.32135 
1 1 1   16    2    5 f  184.176   9.7576  4086.71  422.850  4785.00  598.146  3389.10  597.854  197.906   12.869  165.135   15.514 32.77031 20.15666 
1 1 1   16    2    6 o  146.199   7.6378  2558.22  262.763  3098.20  371.734  2019.00  371.471  160.230   9.8729  128.364   12.410 31.86600 15.85819 
1 1 1   16    2    7 o  149.298   7.3826  2659.56  260.271  3205.60  368.431  2115.60  367.726  163.050   9.6116  131.547   11.969 31.50314 15.35058 
1 1 1   16    2    8 o  137.615   7.5024  2267.57  242.877  2372.20  343.278  2162.70  343.683  139.857   10.470  133.315   11.016 6.542465 15.19809 
1 1 1   16    2    9 o   91.544   5.0451  997.625  108.639  1100.60  153.620  894.600  153.657   95.852   6.8318   86.205   7.6272 9.647858 10.23951 
1 1 1   16    2   10 o   18.339   1.6988   40.074   7.2732   53.500   10.296   26.700   10.276   21.175   2.0862   14.753   3.0505 6.422143 3.695636 
1 1 1   16    2   11 o   99.265   5.4894  1174.53  128.173  1307.30  181.210  1041.60  181.316  104.351   7.4020   92.863   8.3582 11.48858 11.16465 
1 1 1   16    2   12 o   37.896   2.4621  170.515   21.913  184.900   30.975  156.100   31.006   39.379   3.3633   36.118   3.6872 3.261200 4.990710 
1 1 1   16    2   13 o   91.777   5.0610  1003.77  109.257  1023.70  154.420  983.800  154.605   92.268   7.1431   90.404   7.3046 1.863953 10.21675 
1 1 1   16    2   14 o  117.287   6.3086  1645.92  174.079  1950.00  246.218  1342.00  246.152  127.119   8.2471  104.768   10.074 22.35110 13.01920 
1 1 1   16    2   15 o   50.815   3.0148  306.744   36.014  331.400   50.937  282.100   50.925   52.690   4.1269   48.534   4.4945 4.156067 6.101775 
1 1 1   16    2   16 f  127.623   6.9856  1958.72  209.722  2096.90  296.516  1820.40  296.667  130.998   9.6537  121.665   10.427 9.332458 14.20965 
1 1 1   16    2   17 o   74.309   4.2070  658.190   73.518  696.000  103.915  620.300  104.025   76.096   5.8273   71.728   6.2028 4.368851 8.510666 
1 1 1   16    2   18 o   67.324   3.8455  540.074   60.881  603.000   86.082  477.100   86.115   70.898   5.1776   62.869   5.8685 8.029045 7.826089 
1 1 1   16    2   19 o  145.761   8.0263  2590.21  275.194  2785.10  389.126  2395.20  389.241  149.031   11.138  137.420   12.119 11.61096 16.45997 
1 1 1   16    2   20 o  163.020   9.0697  3282.53  347.756  3677.70  491.753  2887.20  491.849  169.434   12.377  148.198   14.230 21.23669 18.85914 
1 1 1   16    2   21 o   37.934   2.4098  171.171   21.474  191.800   30.390  150.600   30.347   40.049   3.2412   35.383   3.6863 4.666496 4.908591 
1 1 1   16    2   22 o   79.702   4.4487  762.487   83.394  853.900  117.945  671.100  117.929   83.814   5.9991   73.931   6.8323 9.882477 9.092294 
1 1 1   16    2   23 o   22.698   1.8693   61.402   9.9302   65.100   14.040   57.700   14.047   23.279   2.5985   21.869   2.7831 1.410055 3.807655 
1 1 1   16    2   24 o   25.223   1.8666   75.750   11.038   86.500   15.647   65.100   15.575   26.881   2.4934   23.220   2.9041 3.661505 3.827612 
1 1 1   16    2   25 o   73.317   4.1748  647.467   71.979  742.400  101.784  552.500  101.802   77.943   5.5669   66.744   6.5435 11.19884 8.591084 
1 1 1   16    2   26 o   55.661   4.7198  376.900   61.452  376.900   61.452   0.0000   0.0000   55.661   4.7198  ?   ?  0.000000 4.719835 
1 1 1   16    2   27 o   66.496   5.5306  543.800   86.053  543.800   86.053   0.0000   0.0000   66.496   5.5306  ?   ?  0.000000 5.530571 
1 1 1   16    2   28 o   54.385   4.6508  361.100   59.153  361.100   59.153   0.0000   0.0000   54.385   4.6508  ?   ?  0.000000 4.650846 
1 1 1   16    2   29 o   76.955   6.4060  742.400  115.352  742.400  115.352   0.0000   0.0000   76.955   6.4060  ?   ?  0.000000 6.406005 
1 1 1   16    2   30 o   43.206   3.8875  227.200   39.237  227.200   39.237   0.0000   0.0000   43.206   3.8875  ?   ?  0.000000 3.887468 
1 1 1   16    2   31 o   26.193   2.8715   83.100   17.469   83.100   17.469   0.0000   0.0000   26.193   2.8715  ?   ?  0.000000 2.871503 
1 1 1   16    2   32 o   49.367   4.3581  301.000   50.282  301.000   50.282   0.0000   0.0000   49.367   4.3581  ?   ?  0.000000 4.358088 
1 1 1   16    2   33 o   56.367   4.9178  399.400   64.802  399.400   64.802   0.0000   0.0000   56.367   4.9178  ?   ?  0.000000 4.917825 
1 1 1   16    2   34 o   56.640   4.9929  407.900   66.096  407.900   66.096   0.0000   0.0000   56.640   4.9929  ?   ?  0.000000 4.992907 
1 1 1   16    2   35 o   37.374   3.5763  172.900   31.176  172.900   31.176   0.0000   0.0000   37.374   3.5763  ?   ?  0.000000 3.576251 
1 1 1   16    2   36 o   17.438   2.6054   37.500   10.399   37.500   10.399   0.0000   0.0000   17.438   2.6054  ?   ?  0.000000 2.605395 
1 1 1   16    2   37 o   15.033   2.5184   28.000   8.6235   28.000   8.6235   0.0000   0.0000   15.033   2.5184  ?   ?  0.000000 2.518406 
1 1 1   16    2   38 o   36.498   3.5518  166.500   30.224  166.500   30.224   0.0000   0.0000   36.498   3.5518  ?   ?  0.000000 3.551832 
1 1 1   16    2   39 o   19.359   2.6308   46.300   11.715   46.300   11.715   0.0000   0.0000   19.359   2.6308  ?   ?  0.000000 2.630776 
1 1 1   16    2   40 o   14.358   2.4941   25.700   8.1492   25.700   8.1492   0.0000   0.0000   14.358   2.4941  ?   ?  0.000000 2.494102 
1 1 1   16    2   41 o   25.297   2.9189   79.900   17.116   79.900   17.116   0.0000   0.0000   25.297   2.9189  ?   ?  0.000000 2.918937 
1 1 1   16    2   42 o   15.269   2.5522   29.300   8.8774   29.300   8.8774   0.0000   0.0000   15.269   2.5522  ?   ?  0.000000 2.552173 
1 1 1   16    2   43 f   22.387   2.7881   63.200   14.419   63.200   14.419   0.0000   0.0000   22.387   2.7881  ?   ?  0.000000 2.788087 
1 1 1   16    2   44 o   27.845   3.1190   99.500   20.156   99.500   20.156   0.0000   0.0000   27.845   3.1190  ?   ?  0.000000 3.119040 
1 1 1   16    2   45 o   24.471   2.9784   76.800   16.856   76.800   16.856   0.0000   0.0000   24.471   2.9784  ?   ?  0.000000 2.978415 
1 1 1   16    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    2   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3    0 o   93.424   7.4261  1054.90  161.444  1054.90  161.444  1054.90  161.444   93.424   7.4261   93.424   7.4261 0.000000 0.000000 
1 1 1   16    3    1 o  103.777   5.6279  1282.53  137.398  1333.40  194.346  1231.70  194.274  105.399   7.8653  101.204   8.1998 4.195274 11.36226 
1 1 1   16    3    2 o  199.234   10.658  4796.15  499.598  4581.80  706.296  5010.80  706.781  192.177   15.701  201.459   14.964 -9.282349 21.68987 
1 1 1   16    3    3 o   83.056   4.5973  820.102   89.814  893.900  127.014  746.300  127.018   86.480   6.2621   78.869   6.8893 7.610870 9.310065 
1 1 1   16    3    4 o   87.619   4.3291  909.555   89.569  1177.50  126.859  643.200  126.482   99.449   5.4225   73.070   7.4340 26.37947 9.201493 
1 1 1   16    3    5 o  121.486   6.3775  1760.55  182.313  1662.00  257.114  1860.20  258.550  117.331   9.3579  124.305   8.8664 -6.974915 12.89127 
1 1 1   16    3    6 o  173.966   9.0090  3637.90  368.817  4391.80  521.846  2885.50  521.326  190.070   11.684  152.618   14.646 37.45164 18.73495 
1 1 1   16    3    7 o  140.649   6.9256  2357.59  230.015  2868.80  325.614  1848.40  324.968  154.417   8.9685  123.111   11.305 31.30656 14.43021 
1 1 1   16    3    8 o  197.020   10.327  4693.60  478.781  5187.20  677.512  4201.20  676.688  205.120   14.073  183.511   15.769 21.60847 21.13539 
1 1 1   16    3    9 o   58.593   3.1769  407.374   43.791  480.100   62.027  335.100   61.833   63.519   4.1583   52.904   5.0092 10.61492 6.510293 
1 1 1   16    3   10 o  142.868   7.6542  2446.50  257.285  2751.70  363.913  2141.50  363.798  150.656   10.291  132.274   11.770 18.38165 15.63463 
1 1 1   16    3   11 o  190.810   10.383  4412.96  466.069  4600.60  658.927  4225.10  659.316  192.440   14.609  183.929   15.320 8.511246 21.16904 
1 1 1   16    3   12 o  195.899   10.656  4665.10  491.060  4736.60  694.205  4593.50  694.723  194.532   15.234  191.361   15.508 3.171112 21.73859 
1 1 1   16    3   13 o   39.840   2.4836  188.413   23.248  176.800   32.826  200.100   32.931   38.460   3.6585   40.964   3.4361 -2.504105 5.019142 
1 1 1   16    3   14 f  167.059   9.1075  3378.09  357.923  3810.80  506.127  2945.20  506.232  175.745   12.273  153.313   14.143 22.43161 18.72539 
1 1 1   16    3   15 o  145.788   7.9599  2563.53  272.989  2657.50  385.891  2469.40  386.238  146.946   11.205  141.379   11.674 5.567749 16.18146 
1 1 1   16    3   16 o   62.880   3.6227  470.372   53.563  520.500   75.732  420.200   75.766   65.960   4.8972   59.119   5.4899 6.840954 7.356751 
1 1 1   16    3   17 o  133.129   7.3385  2140.22  229.804  2257.80  324.823  2022.40  325.162  135.348   10.239  127.710   10.886 7.637932 14.94480 
1 1 1   16    3   18 o   33.033   2.1964  129.658   17.035  150.000   24.116  109.400   24.066   35.464   2.9052   30.174   3.4391 5.290478 4.501978 
1 1 1   16    3   19 o  140.283   7.7272  2395.46  254.982  2653.50  360.558  2137.30  360.640  145.823   10.542  129.851   11.894 15.97267 15.89325 
1 1 1   16    3   20 o   90.712   5.0829  988.019  108.439  1038.10  153.251  937.800  153.461   92.278   7.0872   87.516   7.4983 4.762360 10.31761 
1 1 1   16    3   21 o   54.277   3.2041  351.209   40.884  383.900   57.811  318.500   57.826   56.530   4.3645   51.357   4.8248 5.173656 6.506014 
1 1 1   16    3   22 o   42.177   2.6191  211.839   25.956  232.200   36.717  191.500   36.698   44.012   3.5635   39.868   3.9501 4.144119 5.319981 
1 1 1   16    3   23 o   39.156   2.5368  182.679   23.330  200.200   32.966  165.100   33.021   40.848   3.4500   36.992   3.8360 3.856159 5.159173 
1 1 1   16    3   24 o   32.740   2.2116  127.675   16.998  122.300   23.982  133.100   24.095   31.879   3.2304   33.294   3.1005 -1.415009 4.477567 
1 1 1   16    3   25 o   16.848   1.6145   33.906   6.3446   37.700   9.0885   30.300   8.8611   17.689   2.2251   15.789   2.4565 1.899505 3.314420 
1 1 1   16    3   26 o   99.901   8.2673  1270.90  193.274  1270.90  193.274   0.0000   0.0000   99.901   8.2673  ?   ?  0.000000 8.267286 
1 1 1   16    3   27 o   59.138   4.9871  427.600   68.993  427.600   68.993   0.0000   0.0000   59.138   4.9871  ?   ?  0.000000 4.987068 
1 1 1   16    3   28 o   58.224   4.9399  415.300   67.278  415.300   67.278   0.0000   0.0000   58.224   4.9399  ?   ?  0.000000 4.939949 
1 1 1   16    3   29 o   85.047   7.1017  918.200  141.317  918.200  141.317   0.0000   0.0000   85.047   7.1017  ?   ?  0.000000 7.101727 
1 1 1   16    3   30 o   41.866   3.8087  213.200   37.241  213.200   37.241   0.0000   0.0000   41.866   3.8087  ?   ?  0.000000 3.808671 
1 1 1   16    3   31 o   19.737   2.5862   47.300   11.763   47.300   11.763   0.0000   0.0000   19.737   2.5862  ?   ?  0.000000 2.586190 
1 1 1   16    3   32 o   40.119   3.7146  197.000   34.791  197.000   34.791   0.0000   0.0000   40.119   3.7146  ?   ?  0.000000 3.714583 
1 1 1   16    3   33 o   42.848   3.9179  226.500   39.202  226.500   39.202   0.0000   0.0000   42.848   3.9179  ?   ?  0.000000 3.917851 
1 1 1   16    3   34 o   17.677   2.5461   38.300   10.322   38.300   10.322   0.0000   0.0000   17.677   2.5461  ?   ?  0.000000 2.546127 
1 1 1   16    3   35 o   37.384   3.5866  173.100   31.272  173.100   31.272   0.0000   0.0000   37.384   3.5866  ?   ?  0.000000 3.586552 
1 1 1   16    3   36 o  ?   ?   -3.8000   0.7035  -3.8000   0.7035   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   16    3   37 o   53.014   4.7937  362.600   59.361  362.600   59.361   0.0000   0.0000   53.014   4.7937  ?   ?  0.000000 4.793723 
1 1 1   16    3   38 o   11.952   2.5012   17.900   6.8327   17.900   6.8327   0.0000   0.0000   11.952   2.5012  ?   ?  0.000000 2.501183 
1 1 1   16    3   39 o   5.6946   2.2129   2.5000   4.2677   2.5000   4.2677   0.0000   0.0000   5.6946   2.2129  ?   ?  0.000000 2.212939 
1 1 1   16    3   40 f   27.471   3.0289   93.900   19.322   93.900   19.322   0.0000   0.0000   27.471   3.0289  ?   ?  0.000000 3.028929 
1 1 1   16    3   41 o  ?   ?   -3.9000   0.5743  -3.9000   0.5743   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   16    3   42 o   18.470   2.6222   42.700   11.115   42.700   11.115   0.0000   0.0000   18.470   2.6222  ?   ?  0.000000 2.622164 
1 1 1   16    3   43 o   8.9578   2.3321   10.200   4.9811   10.200   4.9811   0.0000   0.0000   8.9578   2.3321  ?   ?  0.000000 2.332057 
1 1 1   16    3   44 o   29.071   3.2092  108.900   21.662  108.900   21.662   0.0000   0.0000   29.071   3.2092  ?   ?  0.000000 3.209178 
1 1 1   16    3   45 o   11.503   2.4919   17.000   6.5730   17.000   6.5730   0.0000   0.0000   11.503   2.4919  ?   ?  0.000000 2.491893 
1 1 1   16    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    3   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4    0 o   18.370   2.6628   42.300   10.844   42.300   10.844   42.300   10.844   18.370   2.6628   18.370   2.6628 0.000000 0.000000 
1 1 1   16    4    1 o   11.597   1.6171   16.195   4.3079   13.300   6.0868   19.100   6.0978   10.400   2.5077   12.539   2.1360 -2.139173 3.294087 
1 1 1   16    4    2 o   78.566   4.3401  733.525   80.207  770.900  113.468  696.200  113.392   80.315   6.0269   76.248   6.3558 4.066452 8.758949 
1 1 1   16    4    3 o   63.179   3.5948  473.920   53.409  445.300   75.492  502.600   75.572   61.029   5.2907   64.909   4.9682 -3.879639 7.257764 
1 1 1   16    4    4 o   35.464   2.3320  149.288   19.420  145.500   27.421  153.100   27.507   34.907   3.3685   35.824   3.2884 -0.9170761 4.707498 
1 1 1   16    4    5 o  102.822   5.5437  1259.13  134.104  1334.20  189.742  1184.20  189.563  105.445   7.6729   99.200   8.1649 6.245079 11.20447 
1 1 1   16    4    6 o  214.920   11.687  5613.06  590.877  5643.80  834.165  5582.10  837.094  212.371   16.770  211.083   16.937 1.287811 23.83484 
1 1 1   16    4    7 o   96.929   5.0184  1117.77  114.469  1316.60  162.019  919.600  161.750  104.950   6.5708   87.365   7.9268 17.58481 10.29607 
1 1 1   16    4    8 o  104.653   5.3437  1304.02  131.617  1557.10  186.310  1051.90  185.958  114.071   6.9499   93.323   8.5329 20.74776 11.00509 
1 1 1   16    4    9 o  151.125   8.0499  2740.37  286.233  2956.20  404.921  2524.80  404.670  155.892   11.072  143.619   12.044 12.27269 16.35944 
1 1 1   16    4   10 o   75.641   4.1433  680.018   73.723  759.900  104.314  600.300  104.207   79.770   5.5729   70.731   6.3053 9.038956 8.415072 
1 1 1   16    4   11 o  113.494   6.1587  1538.25  164.435  1553.50  232.556  1523.00  232.536  113.409   8.7516  112.257   8.8439 1.151726 12.44212 
1 1 1   16    4   12 o   43.475   2.6916  224.397   27.496  220.200   38.869  228.600   38.901   42.935   3.8756   43.762   3.8022 -0.8269920 5.429294 
1 1 1   16    4   13 o   90.818   5.0044  982.963  106.908  1008.90  151.153  957.000  151.227   91.601   7.0419   89.152   7.2462 2.449066 10.10429 
1 1 1   16    4   14 o  191.903   10.444  4490.79  471.482  4862.30  666.789  4119.30  666.763  196.913   14.441  180.109   15.838 16.80322 21.43342 
1 1 1   16    4   15 o   81.319   4.5145  787.947   86.348  785.700  122.033  790.200  122.197   80.821   6.4479   81.056   6.4373 -0.2353210 9.111211 
1 1 1   16    4   16 o  143.155   7.8019  2476.13  262.741  2507.90  371.396  2444.30  371.749  142.417   11.132  140.494   11.301 1.923248 15.86319 
1 1 1   16    4   17 o  105.261   5.6906  1327.95  140.919  1478.30  199.357  1177.80  199.222  110.414   7.6943   98.133   8.6870 12.28068 11.60453 
1 1 1   16    4   18 o  171.192   9.4513  3600.57  380.586  3758.80  538.111  3442.20  538.349  171.636   13.383  163.573   14.075 8.062790 19.42155 
1 1 1   16    4   19 o   57.739   3.3780  397.120   45.856  414.700   64.813  379.500   64.886   58.768   4.7100   56.154   4.9439 2.614388 6.828341 
1 1 1   16    4   20 o   17.827   1.6917   37.918   7.0359   41.000   10.003   34.900   9.8984   18.460   2.3479   16.976   2.5479 1.483358 3.464737 
1 1 1   16    4   21 o   20.906   1.7438   52.060   8.5301   62.700   12.086   41.500   12.041   22.897   2.2650   18.489   2.8495 4.407932 3.640024 
1 1 1   16    4   22 o  103.655   5.7096  1301.67  139.214  1420.80  196.906  1182.60  196.852  107.130   7.8381   97.190   8.6684 9.939728 11.68661 
1 1 1   16    4   23 o   29.636   2.0872  104.564   14.513  119.700   20.548   89.500   20.500   31.624   2.7799   27.230   3.2526 4.394253 4.278694 
1 1 1   16    4   24 f   63.023   3.6864  476.270   54.623  505.900   77.157  446.500   77.339   64.516   5.1063   60.455   5.4770 4.060974 7.488120 
1 1 1   16    4   25 o   46.579   2.8368  259.146   31.053  262.200   43.946  256.100   43.886   46.583   4.0350   46.022   4.0805 0.5609322 5.738647 
1 1 1   16    4   26 o   67.614   3.7188  549.379   59.146  611.100   83.762  488.000   83.530   70.815   5.0420   62.977   5.6780 7.838848 7.593509 
1 1 1   16    4   27 o   22.808   2.7130   62.800   14.325   62.800   14.325   0.0000   0.0000   22.808   2.7130  ?   ?  0.000000 2.712955 
1 1 1   16    4   28 o   59.582   5.0344  435.500   70.169  435.500   70.169   0.0000   0.0000   59.582   5.0344  ?   ?  0.000000 5.034420 
1 1 1   16    4   29 o   45.220   4.0216  248.700   42.495  248.700   42.495   0.0000   0.0000   45.220   4.0216  ?   ?  0.000000 4.021610 
1 1 1   16    4   30 o   26.971   2.9135   88.000   18.261   88.000   18.261   0.0000   0.0000   26.971   2.9135  ?   ?  0.000000 2.913520 
1 1 1   16    4   31 o   28.009   2.9710   95.100   19.350   95.100   19.350   0.0000   0.0000   28.009   2.9710  ?   ?  0.000000 2.970999 
1 1 1   16    4   32 o   23.478   2.7645   67.000   15.033   67.000   15.033   0.0000   0.0000   23.478   2.7645  ?   ?  0.000000 2.764490 
1 1 1   16    4   33 f   9.1496   2.3224   10.400   5.0264   10.400   5.0264   0.0000   0.0000   9.1496   2.3224  ?   ?  0.000000 2.322420 
1 1 1   16    4   34 o   28.110   2.9974   96.700   19.589   96.700   19.589   0.0000   0.0000   28.110   2.9974  ?   ?  0.000000 2.997381 
1 1 1   16    4   35 o   18.676   2.5795   42.800   11.072   42.800   11.072   0.0000   0.0000   18.676   2.5795  ?   ?  0.000000 2.579519 
1 1 1   16    4   36 o   39.190   3.7252  191.700   34.059  191.700   34.059   0.0000   0.0000   39.190   3.7252  ?   ?  0.000000 3.725214 
1 1 1   16    4   37 o   15.761   2.4984   30.700   8.9882   30.700   8.9882   0.0000   0.0000   15.761   2.4984  ?   ?  0.000000 2.498368 
1 1 1   16    4   38 o   29.736   3.2400  109.900   22.382  109.900   22.382   0.0000   0.0000   29.736   3.2400  ?   ?  0.000000 3.239997 
1 1 1   16    4   39 o   19.064   2.6137   44.900   11.457   44.900   11.457   0.0000   0.0000   19.064   2.6137  ?   ?  0.000000 2.613713 
1 1 1   16    4   40 o   14.173   2.5242   25.100   8.1383   25.100   8.1383   0.0000   0.0000   14.173   2.5242  ?   ?  0.000000 2.524226 
1 1 1   16    4   41 o   23.098   2.7989   66.500   14.954   66.500   14.954   0.0000   0.0000   23.098   2.7989  ?   ?  0.000000 2.798876 
1 1 1   16    4   42 o   14.611   2.5571   26.900   8.5009   26.900   8.5009   0.0000   0.0000   14.611   2.5571  ?   ?  0.000000 2.557060 
1 1 1   16    4   43 o   31.114   3.3354  124.500   24.124  124.500   24.124   0.0000   0.0000   31.114   3.3354  ?   ?  0.000000 3.335374 
1 1 1   16    4   44 o   10.072   2.4067   13.000   5.6457   13.000   5.6457   0.0000   0.0000   10.072   2.4067  ?   ?  0.000000 2.406721 
1 1 1   16    4   45 o   9.0088   2.5215   10.400   5.5757   10.400   5.5757   0.0000   0.0000   9.0088   2.5215  ?   ?  0.000000 2.521457 
1 1 1   16    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    4   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5    0 o  150.812   11.777  2767.70  413.530  2767.70  413.530  2767.70  413.530  150.812   11.777  150.812   11.777 0.000000 0.000000 
1 1 1   16    5    1 o  102.775   5.5889  1257.99  135.126  1307.00  191.116  1209.00  191.079  104.342   7.8134  100.260   8.1412 4.082344 11.28397 
1 1 1   16    5    2 f   87.696   4.8154  914.641   99.337  893.700  140.452  935.600  140.515   86.344   6.9475   88.387   6.7842 -2.043587 9.710457 
1 1 1   16    5    3 o   36.144   2.2674  154.998   19.254  183.000   27.279  127.200   27.180   39.226   2.9671   32.587   3.5917 6.638302 4.658775 
1 1 1   16    5    4 o  167.095   8.8253  3354.16  346.984  3634.10  490.960  3074.80  490.458  172.661   12.119  158.264   13.246 14.39734 17.95279 
1 1 1   16    5    5 o   99.750   5.0975  1183.71  119.669  1403.50  169.444  965.000  169.031  108.367   6.6538   89.492   8.0861 18.87543 10.47178 
1 1 1   16    5    6 o   63.515   3.5597  478.982   53.174  533.900   75.245  424.200   75.153   66.925   4.7931   59.529   5.4053 7.396515 7.224311 
1 1 1   16    5    7 o  193.642   10.051  4529.15  458.006  5129.90  648.151  3930.00  647.287  204.303   13.511  177.540   15.598 26.76262 20.63613 
1 1 1   16    5    8 o   55.730   3.2497  368.745   42.580  373.500   60.247  364.000   60.187   55.935   4.6021   55.207   4.6605 0.7286072 6.549758 
1 1 1   16    5    9 o  137.246   7.1305  2253.68  230.296  2551.00  325.920  1957.20  325.456  145.304   9.5521  126.711   10.986 18.59365 14.55788 
1 1 1   16    5   10 o  134.648   7.2061  2170.82  228.290  2287.20  322.967  2054.60  322.735  137.341   10.028  129.928   10.612 7.413666 14.60031 
1 1 1   16    5   11 o  123.991   6.5343  1838.10  190.640  2042.60  269.773  1634.10  269.438  130.071   8.8357  115.924   9.9390 14.14613 13.29858 
1 1 1   16    5   12 o   48.218   2.7510  275.909   31.194  324.200   44.179  227.900   44.050   52.194   3.6067   43.622   4.3338 8.572533 5.638235 
1 1 1   16    5   13 o  119.558   6.4845  1711.10  182.386  1756.60  257.932  1665.60  257.932  120.339   9.1453  117.072   9.4097 3.266930 13.12171 
1 1 1   16    5   14 o   80.868   4.5136  778.977   85.847  806.200  121.348  751.700  121.465   81.933   6.3209   79.045   6.5670 2.887924 9.114763 
1 1 1   16    5   15 o  110.475   5.9383  1460.91  154.345  1656.00  218.354  1266.10  218.200  117.027   7.9487  101.845   9.1714 15.18209 12.13660 
1 1 1   16    5   16 o  137.220   7.4260  2272.24  239.724  2518.60  339.065  2026.00  338.977  143.207   10.091  127.707   11.359 15.49982 15.19431 
1 1 1   16    5   17 o   99.231   5.4621  1179.57  127.495  1279.80  180.287  1079.30  180.322  102.740   7.4827   94.053   8.2013 8.687019 11.10186 
1 1 1   16    5   18 o  140.039   7.6151  2380.83  250.873  2696.30  354.828  2065.50  354.747  147.444   10.255  127.912   11.880 19.53136 15.69434 
1 1 1   16    5   19 o   44.382   2.6803  234.244   27.958  282.200   39.562  186.400   39.515   48.622   3.4685   39.319   4.3276 9.302788 5.546053 
1 1 1   16    5   20 o   37.356   2.4255  165.999   21.279  167.800   30.103  164.200   30.084   37.417   3.4457   37.004   3.4839 0.4130783 4.900065 
1 1 1   16    5   21 o   59.420   3.2728  420.989   45.744  491.200   64.813  351.300   64.572   63.977   4.3154   53.858   5.1397 10.11920 6.711133 
1 1 1   16    5   22 o   17.877   1.5992   38.103   6.6796   46.700   9.5010   29.700   9.3927   19.750   2.0678   15.608   2.6427 4.142011 3.355570 
1 1 1   16    5   23 o   46.151   2.8406  254.070   30.807  286.900   43.554  221.200   43.580   48.864   3.8046   42.738   4.3802 6.126446 5.801830 
1 1 1   16    5   24 o   60.757   3.5721  442.464   51.023  497.100   72.116  387.700   72.200   64.036   4.8042   56.273   5.5040 7.763420 7.305737 
1 1 1   16    5   25 o   81.984   4.4130  811.315   85.118  947.200  120.480  675.900  120.272   87.902   5.8376   73.585   7.0063 14.31719 9.119534 
1 1 1   16    5   26 o   47.479   2.8598  269.478   31.913  284.000   45.166  255.000   45.097   48.472   3.9812   45.849   4.2124 2.623058 5.796072 
1 1 1   16    5   27 o   76.316   4.1642  703.765   74.760  792.200  105.837  615.700  105.616   80.246   5.6209   70.253   6.4381 9.992149 8.546534 
1 1 1   16    5   28 o   42.657   3.8421  220.600   38.286  220.600   38.286   0.0000   0.0000   42.657   3.8421  ?   ?  0.000000 3.842135 
1 1 1   16    5   29 o   71.181   5.9528  632.100   99.138  632.100   99.138   0.0000   0.0000   71.181   5.9528  ?   ?  0.000000 5.952823 
1 1 1   16    5   30 o   23.825   2.7586   68.700   15.233   68.700   15.233   0.0000   0.0000   23.825   2.7586  ?   ?  0.000000 2.758629 
1 1 1   16    5   31 o   29.819   3.0786  107.900   21.366  107.900   21.366   0.0000   0.0000   29.819   3.0786  ?   ?  0.000000 3.078644 
1 1 1   16    5   32 o   6.2708   2.0525   4.5000   3.5027   4.5000   3.5027   0.0000   0.0000   6.2708   2.0525  ?   ?  0.000000 2.052457 
1 1 1   16    5   33 o   5.8725   1.9493   3.9000   3.1554   3.9000   3.1554   0.0000   0.0000   5.8725   1.9493  ?   ?  0.000000 1.949296 
1 1 1   16    5   34 o   8.5218   2.2958   9.0000   4.7236   9.0000   4.7236   0.0000   0.0000   8.5218   2.2958  ?   ?  0.000000 2.295797 
1 1 1   16    5   35 o   39.805   3.7481  197.100   34.816  197.100   34.816   0.0000   0.0000   39.805   3.7481  ?   ?  0.000000 3.748142 
1 1 1   16    5   36 o   36.205   3.5118  162.900   29.646  162.900   29.646   0.0000   0.0000   36.205   3.5118  ?   ?  0.000000 3.511833 
1 1 1   16    5   37 f   9.6631   2.3901   11.700   5.4235   11.700   5.4235   0.0000   0.0000   9.6631   2.3901  ?   ?  0.000000 2.390096 
1 1 1   16    5   38 o   28.598   3.1332  101.400   20.812  101.400   20.812   0.0000   0.0000   28.598   3.1332  ?   ?  0.000000 3.133232 
1 1 1   16    5   39 o   17.828   2.6442   39.400   10.794   39.400   10.794   0.0000   0.0000   17.828   2.6442  ?   ?  0.000000 2.644210 
1 1 1   16    5   40 o   14.285   2.5217   25.500   8.1951   25.500   8.1951   0.0000   0.0000   14.285   2.5217  ?   ?  0.000000 2.521668 
1 1 1   16    5   41 o   20.441   2.7042   52.100   12.733   52.100   12.733   0.0000   0.0000   20.441   2.7042  ?   ?  0.000000 2.704231 
1 1 1   16    5   42 o   18.818   2.6605   44.400   11.492   44.400   11.492   0.0000   0.0000   18.818   2.6605  ?   ?  0.000000 2.660471 
1 1 1   16    5   43 o   6.0917   2.1233   4.1000   3.7504   4.1000   3.7504   0.0000   0.0000   6.0917   2.1233  ?   ?  0.000000 2.123298 
1 1 1   16    5   44 o   3.5096   1.4779   0.2000   2.0871   0.2000   2.0871   0.0000   0.0000   3.5096   1.4779  ?   ?  0.000000 1.477923 
1 1 1   16    5   45 o   35.906   3.7372  171.300   31.222  171.300   31.222   0.0000   0.0000   35.906   3.7372  ?   ?  0.000000 3.737182 
1 1 1   16    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    5   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6    0 o   54.775   4.6667  362.600   59.353  362.600   59.353  362.600   59.353   54.775   4.6667   54.775   4.6667 0.000000 0.000000 
1 1 1   16    6    1 o  108.313   5.6211  1397.08  143.275  1637.90  202.775  1157.00  202.467  116.957   7.3800   97.889   8.8549 19.06844 11.52713 
1 1 1   16    6    2 o   81.058   4.3452  780.750   82.868  868.700  117.294  693.100  117.093   85.302   5.8586   76.028   6.5873 9.274178 8.815705 
1 1 1   16    6    3 o  219.334   11.849  5848.00  611.396  6076.50  864.749  5619.60  864.540  220.498   16.733  211.484   17.468 9.014389 24.18957 
1 1 1   16    6    4 o   97.883   5.4830  1141.31  126.222  1196.70  178.084  1085.40  178.930   99.836   7.6113   94.956   8.0559 4.880127 11.08284 
1 1 1   16    6    5 o   43.780   2.6673  227.460   27.444  281.300   38.826  173.700   38.797   48.637   3.4020   38.032   4.4013 10.60518 5.562824 
1 1 1   16    6    6 o  180.270   8.8335  3897.33  376.026  4659.10  532.399  3139.10  531.164  195.706   11.572  159.253   14.276 36.45229 18.37720 
1 1 1   16    6    7 o  157.120   7.5468  2948.85  279.998  3614.10  396.514  2287.20  395.442  173.018   9.7449  136.533   12.401 36.48512 15.77151 
1 1 1   16    6    8 o  257.804   13.842  8181.82  839.564  9008.80  1187.78  7356.10  1186.87  265.798   19.051  237.834   21.361 27.96379 28.62206 
1 1 1   16    6    9 o   86.956   4.5278  899.079   92.650  1037.70  131.204  761.200  130.852   93.202   5.9933   79.571   7.0366 13.63153 9.243051 
1 1 1   16    6   10 o   78.755   4.2053  737.305   77.923  832.500  110.312  642.500  110.087   83.486   5.6285   73.151   6.4388 10.33506 8.552058 
1 1 1   16    6   11 o  180.180   9.3511  3923.26  396.496  4466.50  561.115  3381.50  560.346  190.573   12.539  164.550   14.572 26.02269 19.22395 
1 1 1   16    6   12 o   53.233   3.1113  336.532   38.940  354.100   55.097  319.000   55.041   54.467   4.3192   51.645   4.5601 2.821842 6.280966 
1 1 1   16    6   13 f  117.053   6.2228  1639.17  171.382  1794.20  242.513  1484.50  242.230  121.811   8.4841  110.452   9.3759 11.35912 12.64468 
1 1 1   16    6   14 o   40.515   2.5534  194.947   24.303  208.400   34.374  181.500   34.366   41.790   3.5160   38.944   3.7848 2.846264 5.165999 
1 1 1   16    6   15 o   31.131   2.1690  115.150   15.845  115.700   22.398  114.600   22.418   31.104   3.0904   30.952   3.1092 0.1517334 4.383838 
1 1 1   16    6   16 o   46.947   2.8113  261.908   31.022  284.100   43.914  239.800   43.830   48.773   3.8441   44.730   4.1988 4.042854 5.692720 
1 1 1   16    6   17 o  149.018   7.7541  2692.30  271.914  3199.30  384.828  2186.80  384.262  160.994   10.175  131.503   12.526 29.49115 16.13783 
1 1 1   16    6   18 f   64.671   3.7095  498.516   56.412  537.500   79.761  459.500   79.795   66.889   5.0880   61.715   5.5343 5.174072 7.517674 
1 1 1   16    6   19 o  122.994   6.7578  1833.56  195.518  2027.20  276.494  1639.90  276.515  127.954   9.2127  114.321   10.355 13.63277 13.86035 
1 1 1   16    6   20 o   45.292   2.7361  244.155   29.125  270.800   41.225  217.600   41.154   47.559   3.6999   42.518   4.1521 5.041248 5.561412 
1 1 1   16    6   21 o   52.249   3.0834  325.482   37.874  350.900   53.581  300.100   53.543   54.033   4.2332   49.861   4.5994 4.172024 6.250961 
1 1 1   16    6   22 o   45.308   2.6894  244.523   28.645  283.800   40.550  205.400   40.471   48.673   3.5526   41.231   4.2160 7.442173 5.513288 
1 1 1   16    6   23 o   38.815   2.5630  179.635   23.360  203.100   32.976  156.000   33.095   41.135   3.4261   35.902   3.9702 5.232544 5.244086 
1 1 1   16    6   24 o   36.046   2.4022  154.926   20.330  162.900   28.704  146.900   28.798   36.804   3.3393   34.892   3.5444 1.911320 4.869606 
1 1 1   16    6   25 o   98.927   5.5029  1194.66  128.040  1301.10  181.109  1088.30  181.043  101.779   7.5902   92.435   8.3856 9.343681 11.31063 
1 1 1   16    6   26 o   63.140   3.6271  479.129   53.852  501.100   76.195  457.200   76.122   64.045   5.0799   61.053   5.3336 2.991802 7.365643 
1 1 1   16    6   27 o   44.713   2.6005  238.759   27.339  276.900   38.734  200.900   38.591   47.968   3.4426   40.654   4.0749 7.314190 5.334406 
1 1 1   16    6   28 o   30.622   2.0314  111.793   14.606  126.700   20.731   97.100   20.581   32.489   2.7274   28.331   3.1286 4.158268 4.150475 
1 1 1   16    6   29 o  107.296   9.2640  1536.80  232.413  1536.80  232.413   0.0000   0.0000  107.296   9.2640  ?   ?  0.000000 9.263974 
1 1 1   16    6   30 o   32.705   3.2314  129.600   24.629  129.600   24.629   0.0000   0.0000   32.705   3.2314  ?   ?  0.000000 3.231416 
1 1 1   16    6   31 o   29.131   3.0328  103.000   20.556  103.000   20.556   0.0000   0.0000   29.131   3.0328  ?   ?  0.000000 3.032781 
1 1 1   16    6   32 o   33.748   3.3139  139.000   26.068  139.000   26.068   0.0000   0.0000   33.748   3.3139  ?   ?  0.000000 3.313857 
1 1 1   16    6   33 o   52.783   4.6683  350.000   57.585  350.000   57.585   0.0000   0.0000   52.783   4.6683  ?   ?  0.000000 4.668273 
1 1 1   16    6   34 o   33.235   3.3058  135.800   25.599  135.800   25.599   0.0000   0.0000   33.235   3.3058  ?   ?  0.000000 3.305777 
1 1 1   16    6   35 o   42.007   3.9085  220.500   38.325  220.500   38.325   0.0000   0.0000   42.007   3.9085  ?   ?  0.000000 3.908549 
1 1 1   16    6   36 o   27.908   3.0191   96.000   19.579   96.000   19.579   0.0000   0.0000   27.908   3.0191  ?   ?  0.000000 3.019119 
1 1 1   16    6   37 o   12.415   2.4100   19.200   6.8104   19.200   6.8104   0.0000   0.0000   12.415   2.4100  ?   ?  0.000000 2.409980 
1 1 1   16    6   38 o   38.017   3.6784  181.300   32.609  181.300   32.609   0.0000   0.0000   38.017   3.6784  ?   ?  0.000000 3.678401 
1 1 1   16    6   39 o   7.1068   2.1812   6.1000   4.0108   6.1000   4.0108   0.0000   0.0000   7.1068   2.1812  ?   ?  0.000000 2.181194 
1 1 1   16    6   40 o   8.5237   2.2970   9.1000   4.7276   9.1000   4.7276   0.0000   0.0000   8.5237   2.2970  ?   ?  0.000000 2.296954 
1 1 1   16    6   41 o   20.810   2.6967   54.000   12.940   54.000   12.940   0.0000   0.0000   20.810   2.6967  ?   ?  0.000000 2.696733 
1 1 1   16    6   42 o   20.621   2.7074   53.300   12.865   53.300   12.865   0.0000   0.0000   20.621   2.7074  ?   ?  0.000000 2.707406 
1 1 1   16    6   43 o   42.520   4.2284  243.000   41.891  243.000   41.891   0.0000   0.0000   42.520   4.2284  ?   ?  0.000000 4.228361 
1 1 1   16    6   44 f   22.714   2.8494   65.700   14.947   65.700   14.947   0.0000   0.0000   22.714   2.8494  ?   ?  0.000000 2.849393 
1 1 1   16    6   45 o   19.738   2.7930   49.800   12.654   49.800   12.654   0.0000   0.0000   19.738   2.7930  ?   ?  0.000000 2.793002 
1 1 1   16    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    6   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7    0 f  166.025   12.969  3365.00  501.290  3365.00  501.290  3365.00  501.290  166.025   12.969  166.025   12.969 0.000000 0.000000 
1 1 1   16    7    1 o  105.894   5.7540  1336.29  143.341  1243.00  202.706  1429.60  202.723  101.550   8.5324  109.101   7.9230 -7.550667 11.64364 
1 1 1   16    7    2 o  165.826   8.9278  3306.00  348.302  3313.60  492.628  3298.40  492.519  164.486   12.784  164.094   12.812 0.3921661 18.09900 
1 1 1   16    7    3 o  105.787   5.7002  1333.48  141.865  1448.20  200.685  1218.90  200.569  109.834   7.7883  100.546   8.5281 9.287910 11.54930 
1 1 1   16    7    4 o  100.066   5.2251  1191.86  123.037  1427.10  174.146  957.400  173.855  109.237   6.7847   89.055   8.3654 20.18186 10.77091 
1 1 1   16    7    5 o  170.964   9.2501  3520.61  372.045  3774.00  526.089  3267.10  526.213  175.478   12.784  162.699   13.828 12.77881 18.83184 
1 1 1   16    7    6 o   71.212   3.2307  600.021   54.326  847.100   77.101  356.400   76.560   84.574   3.8607   54.408   6.0622 30.16642 7.187099 
1 1 1   16    7    7 o   57.192   3.1299  388.124   42.109  458.300   59.648  318.400   59.455   62.061   4.0931   51.566   4.9433 10.49498 6.417966 
1 1 1   16    7    8 o   75.330   4.1652  674.502   73.804  707.600  104.451  641.500  104.298   76.927   5.7925   73.175   6.0914 3.752434 8.405870 
1 1 1   16    7    9 o  200.312   9.6147  4835.14  454.784  5990.00  644.003  3686.30  642.324  221.182   12.380  171.210   16.076 49.97206 20.29055 
1 1 1   16    7   10 o  224.564   11.925  6168.86  630.081  6897.60  891.462  5441.40  890.675  234.096   16.227  205.895   18.517 28.20059 24.62130 
1 1 1   16    7   11 o  190.229   10.124  4392.07  453.152  4821.20  641.098  3963.60  640.609  197.030   13.868  177.521   15.436 19.50928 20.75035 
1 1 1   16    7   12 o  134.977   7.2441  2186.72  230.047  2342.40  325.423  2031.20  325.247  138.710   10.002  128.796   10.794 9.913605 14.71573 
1 1 1   16    7   13 o   44.704   2.6511  237.251   27.861  271.100   39.460  203.600   39.344   47.705   3.5279   41.228   4.0955 6.476711 5.405518 
1 1 1   16    7   14 o   87.839   4.8358  920.288   99.918  947.200  141.337  893.400  141.274   88.687   6.8007   86.063   7.0126 2.624023 9.768650 
1 1 1   16    7   15 o   94.755   5.0575  1072.35  112.753  1196.50  159.587  948.600  159.327   99.651   6.8230   88.421   7.7079 11.23000 10.29397 
1 1 1   16    7   16 o  127.087   6.9237  1947.30  206.997  1928.50  292.733  1966.10  292.742  125.084   9.9943  126.359   9.8900 -1.275185 14.06050 
1 1 1   16    7   17 o   60.867   3.3665  440.848   48.198  508.700   68.238  373.300   68.085   65.216   4.4578   55.667   5.2413 9.548630 6.880623 
1 1 1   16    7   18 o   99.495   5.3195  1187.97  124.526  1404.80  176.198  971.600  176.014  107.614   6.9713   88.817   8.4961 18.79671 10.99012 
1 1 1   16    7   19 f   19.192   1.7235   43.908   7.7275   54.100   10.951   33.800   10.906   21.263   2.2135   16.647   2.8784 4.615990 3.631112 
1 1 1   16    7   20 o  130.600   7.2256  2084.28  221.966  2165.40  313.844  2003.10  313.970  130.946   10.231  125.545   10.693 5.401314 14.79893 
1 1 1   16    7   21 o   53.636   3.1162  343.094   39.298  395.000   55.606  291.300   55.546   57.356   4.1334   49.040   4.8607 8.316109 6.380519 
1 1 1   16    7   22 o   39.387   2.5493  184.835   23.583  194.600   33.291  175.000   33.411   40.253   3.5384   38.113   3.7616 2.140694 5.164244 
1 1 1   16    7   23 o  139.119   8.0306  2420.29  262.693  2584.40  371.012  2255.30  371.999  140.021   11.318  129.551   12.308 10.46962 16.72060 
1 1 1   16    7   24 o   31.975   2.2652  121.913   16.992  131.600   23.953  112.100   24.109   33.090   3.1017   30.458   3.4107 2.632282 4.610116 
1 1 1   16    7   25 o   80.787   4.3141  787.707   82.000  954.900  116.085  621.200  115.847   88.334   5.5942   70.420   7.0618 17.91333 9.009065 
1 1 1   16    7   26 o   27.240   1.9680   88.447   12.573   99.700   17.824   77.300   17.739   28.825   2.6482   25.280   3.0322 3.545511 4.025778 
1 1 1   16    7   27 o   69.374   3.8935  580.609   63.525  643.400   89.903  518.000   89.773   72.400   5.2953   64.597   5.9523 7.802940 7.966812 
1 1 1   16    7   28 o   58.392   3.4097  410.141   46.810  420.200   66.228  400.100   66.170   58.571   4.8316   57.090   4.9576 1.480968 6.922601 
1 1 1   16    7   29 o   49.348   2.8621  291.998   33.208  333.600   47.021  250.600   46.905   52.453   3.8226   45.204   4.4520 7.248638 5.867937 
1 1 1   16    7   30 o   56.071   3.3089  379.240   43.617  408.800   61.694  349.700   61.672   57.683   4.5666   53.131   4.9735 4.551777 6.752002 
1 1 1   16    7   31 o   32.542   3.2376  128.800   24.549  128.800   24.549   0.0000   0.0000   32.542   3.2376  ?   ?  0.000000 3.237559 
1 1 1   16    7   32 o   23.394   2.7515   66.600   14.909   66.600   14.909   0.0000   0.0000   23.394   2.7515  ?   ?  0.000000 2.751531 
1 1 1   16    7   33 o   31.070   3.1663  118.200   22.906  118.200   22.906   0.0000   0.0000   31.070   3.1663  ?   ?  0.000000 3.166303 
1 1 1   16    7   34 o   37.789   3.6008  176.600   31.742  176.600   31.742   0.0000   0.0000   37.789   3.6008  ?   ?  0.000000 3.600776 
1 1 1   16    7   35 o   26.338   2.9191   85.200   17.850   85.200   17.850   0.0000   0.0000   26.338   2.9191  ?   ?  0.000000 2.919138 
1 1 1   16    7   36 o   24.115   2.8095   71.500   15.699   71.500   15.699   0.0000   0.0000   24.115   2.8095  ?   ?  0.000000 2.809495 
1 1 1   16    7   37 f   35.315   3.4682  155.300   28.549  155.300   28.549   0.0000   0.0000   35.315   3.4682  ?   ?  0.000000 3.468246 
1 1 1   16    7   38 o   38.883   3.7284  190.000   33.813  190.000   33.813   0.0000   0.0000   38.883   3.7284  ?   ?  0.000000 3.728380 
1 1 1   16    7   39 o   21.420   2.7114   56.700   13.407   56.700   13.407   0.0000   0.0000   21.420   2.7114  ?   ?  0.000000 2.711402 
1 1 1   16    7   40 o   36.166   3.5850  165.800   30.213  165.800   30.213   0.0000   0.0000   36.166   3.5850  ?   ?  0.000000 3.585034 
1 1 1   16    7   41 o   6.9617   2.2175   5.8000   4.1065   5.8000   4.1065   0.0000   0.0000   6.9617   2.2175  ?   ?  0.000000 2.217541 
1 1 1   16    7   42 o   9.8384   2.3777   12.300   5.4624   12.300   5.4624   0.0000   0.0000   9.8384   2.3777  ?   ?  0.000000 2.377679 
1 1 1   16    7   43 o   17.073   2.5805   36.800   10.079   36.800   10.079   0.0000   0.0000   17.073   2.5805  ?   ?  0.000000 2.580450 
1 1 1   16    7   44 o   15.465   2.5660   30.400   9.0420   30.400   9.0420   0.0000   0.0000   15.465   2.5660  ?   ?  0.000000 2.566021 
1 1 1   16    7   45 o   24.230   3.1070   76.000   17.368   76.000   17.368   0.0000   0.0000   24.230   3.1070  ?   ?  0.000000 3.107002 
1 1 1   16    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    7   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8    0 o  100.053   7.9229  1211.20  184.487  1211.20  184.487  1211.20  184.487  100.053   7.9229  100.053   7.9229 0.000000 0.000000 
1 1 1   16    8    1 o   58.581   3.3834  407.446   46.604  386.000   65.902  428.900   65.913   56.825   4.9610   59.959   4.6929 -3.133564 6.828940 
1 1 1   16    8    2 o   56.206   3.2477  375.022   42.920  389.000   60.759  361.100   60.637   57.103   4.5436   54.981   4.7162 2.122173 6.548799 
1 1 1   16    8    3 o  175.542   9.2847  3711.58  383.499  4037.30  542.619  3386.50  542.081  181.556   12.737  165.586   13.995 15.97002 18.92341 
1 1 1   16    8    4 o   40.443   2.5043  194.108   23.799  229.700   33.676  158.600   33.636   43.939   3.2691   36.377   3.9807 7.561829 5.151058 
1 1 1   16    8    5 o   65.594   3.5551  510.799   54.859  628.400   77.649  393.600   77.516   72.659   4.5486   57.250   5.8146 15.40894 7.382350 
1 1 1   16    8    6 o   81.725   4.0377  791.263   77.921  1067.00  110.365  517.200  110.029   94.694   4.9529   65.442   7.2415 29.25227 8.773270 
1 1 1   16    8    7 o   46.294   2.6897  254.282   29.277  296.400   41.462  212.400   41.346   49.913   3.5408   42.127   4.2128 7.786133 5.503219 
1 1 1   16    8    8 o   41.790   2.3218  207.078   22.822  260.900   32.387  154.000   32.163   46.871   2.9412   35.851   3.8600 11.02026 4.852864 
1 1 1   16    8    9 o  164.626   8.5150  3262.26  329.883  3721.30  466.848  2804.50  466.202  174.572   11.387  150.556   13.248 24.01598 17.46969 
1 1 1   16    8   10 f  107.116   5.5826  1368.62  140.717  1642.30  199.161  1095.80  198.848  116.976   7.2458   95.013   8.9690 21.96358 11.53020 
1 1 1   16    8   11 o  137.578   7.3628  2272.13  238.331  2452.80  337.161  2091.70  336.939  141.941   10.126  130.653   11.024 11.28786 14.96876 
1 1 1   16    8   12 o   19.461   1.7394   45.112   7.9093   49.100   11.240   41.200   11.132   20.235   2.3990   18.479   2.6248 1.756092 3.555959 
1 1 1   16    8   13 o  132.333   6.9668  2103.16  216.935  2364.30  306.965  1842.60  306.621  139.396   9.3801  122.421   10.715 16.97513 14.24043 
1 1 1   16    8   14 o   66.598   3.7418  527.705   58.605  553.700   82.952  501.800   82.808   67.985   5.2067   64.651   5.4757 3.334534 7.555996 
1 1 1   16    8   15 o   52.002   3.0770  321.498   37.616  306.800   53.194  336.200   53.201   50.594   4.4994   53.015   4.2864 -2.421391 6.214339 
1 1 1   16    8   16 o  112.082   5.9094  1507.97  155.848  1715.20  220.577  1301.40  220.228  118.805   7.9077  102.905   9.1587 15.89948 12.10020 
1 1 1   16    8   17 o   18.879   1.7461   42.497   7.6959   42.800   10.933   42.200   10.835   18.847   2.5197   18.712   2.5158 0.1344280 3.560653 
1 1 1   16    8   18 o  115.207   6.2938  1603.07  170.573  1675.50  241.278  1530.70  241.174  116.544   8.8330  111.123   9.2758 5.420296 12.80869 
1 1 1   16    8   19 o  100.249   5.5418  1211.01  130.678  1230.60  184.741  1191.40  184.872  100.041   7.8842   98.353   8.0302 1.687508 11.25366 
1 1 1   16    8   20 o   77.383   4.3534  717.859   79.226  784.000  112.034  651.700  112.050   80.367   5.9457   73.010   6.5697 7.357018 8.860689 
1 1 1   16    8   21 o   42.375   2.6471  213.900   26.355  217.400   37.272  210.400   37.272   42.535   3.7492   41.826   3.8157 0.7086334 5.349405 
1 1 1   16    8   22 o   18.587   1.7017   41.227   7.3862   35.000   10.385   47.600   10.507   16.965   2.6816   19.909   2.2758 -2.944571 3.517155 
1 1 1   16    8   23 o   33.751   2.2838  135.745   18.094  134.700   25.531  136.800   25.648   33.458   3.2734   33.723   3.2616 -0.2645645 4.620935 
1 1 1   16    8   24 o   33.381   2.2354  132.798   17.518  126.500   24.674  139.200   24.876   32.402   3.2696   34.032   3.1306 -1.629784 4.526701 
1 1 1   16    8   25 f   45.516   2.7857  247.538   29.797  265.900   42.153  229.200   42.125   46.939   3.8366   43.473   4.1541 3.465889 5.654734 
1 1 1   16    8   26 o   82.416   4.6596  824.657   90.311  836.900  127.683  812.400  127.757   81.872   6.6622   80.583   6.7769 1.289398 9.503203 
1 1 1   16    8   27 o   8.8808   1.6138   9.6315   3.2597   10.200   4.6893   9.1000   4.5344   9.0868   2.2073   8.5923   2.2193 0.4945011 3.130055 
1 1 1   16    8   28 o   47.694   2.7091  272.134   30.385  321.000   43.089  223.800   42.854   51.577   3.5598   42.798   4.2985 8.779243 5.581121 
1 1 1   16    8   29 o   69.995   3.9588  594.127   65.164  646.500   92.221  541.900   92.092   72.190   5.4501   65.725   5.9999 6.464783 8.105691 
1 1 1   16    8   30 o   21.333   1.6818   54.327   8.4029   64.600   11.987   44.400   11.783   23.188   2.2161   19.092   2.6881 4.096819 3.483816 
1 1 1   16    8   31 o   26.087   1.9245   81.392   11.771   87.500   16.728   75.400   16.568   26.900   2.6686   24.904   2.8698 1.995871 3.918787 
1 1 1   16    8   32 o   24.751   2.8203   74.600   16.189   74.600   16.189   0.0000   0.0000   24.751   2.8203  ?   ?  0.000000 2.820251 
1 1 1   16    8   33 o   16.969   2.5127   35.300   9.7638   35.300   9.7638   0.0000   0.0000   16.969   2.5127  ?   ?  0.000000 2.512711 
1 1 1   16    8   34 o   27.588   2.9781   93.300   19.093   93.300   19.093   0.0000   0.0000   27.588   2.9781  ?   ?  0.000000 2.978087 
1 1 1   16    8   35 o   46.615   4.2525  274.300   46.294  274.300   46.294   0.0000   0.0000   46.615   4.2525  ?   ?  0.000000 4.252527 
1 1 1   16    8   36 f   17.030   2.5732   35.800   10.025   35.800   10.025   0.0000   0.0000   17.030   2.5732  ?   ?  0.000000 2.573197 
1 1 1   16    8   37 o   17.656   2.5896   38.500   10.476   38.500   10.476   0.0000   0.0000   17.656   2.5896  ?   ?  0.000000 2.589645 
1 1 1   16    8   38 o   20.763   2.6855   53.200   12.858   53.200   12.858   0.0000   0.0000   20.763   2.6855  ?   ?  0.000000 2.685502 
1 1 1   16    8   39 o   45.352   4.2417  264.200   44.897  264.200   44.897   0.0000   0.0000   45.352   4.2417  ?   ?  0.000000 4.241677 
1 1 1   16    8   40 o   24.394   2.8575   74.100   16.148   74.100   16.148   0.0000   0.0000   24.394   2.8575  ?   ?  0.000000 2.857526 
1 1 1   16    8   41 o   30.123   3.2028  114.700   22.433  114.700   22.433   0.0000   0.0000   30.123   3.2028  ?   ?  0.000000 3.202818 
1 1 1   16    8   42 o   11.591   2.4950   17.100   6.6267   17.100   6.6267   0.0000   0.0000   11.591   2.4950  ?   ?  0.000000 2.495008 
1 1 1   16    8   43 o   26.889   3.0499   92.300   19.023   92.300   19.023   0.0000   0.0000   26.889   3.0499  ?   ?  0.000000 3.049914 
1 1 1   16    8   44 o   4.1198   1.7614   0.0000   3.0421   0.0000   3.0421   0.0000   0.0000   4.1198   1.7614  ?   ?  0.000000 1.761418 
1 1 1   16    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    8   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9    0 o   90.203   7.1930  983.800  150.971  983.800  150.971  983.800  150.971   90.203   7.1930   90.203   7.1930 0.000000 0.000000 
1 1 1   16    9    1 o   87.443   4.8064  909.742   98.864  938.800  139.834  880.700  139.797   88.511   6.7411   85.668   6.9711 2.843094 9.697309 
1 1 1   16    9    2 o   23.253   1.8888   64.305   10.281   70.600   14.534   58.000   14.546   24.301   2.5718   21.959   2.8742 2.342096 3.856816 
1 1 1   16    9    3 o  126.941   6.7780  1925.82  202.436  2137.80  286.373  1714.10  286.203  133.115   9.1664  118.782   10.306 14.33327 13.79255 
1 1 1   16    9    4 o  151.121   7.6914  2736.27  273.561  3216.10  387.169  2257.90  386.579  163.031   10.107  135.715   12.193 27.31613 15.83713 
1 1 1   16    9    5 o   28.862   2.2035   99.026   14.904  125.400   21.028   72.400   21.128   32.446   2.7711   24.442   3.7830 8.004009 4.689352 
1 1 1   16    9    6 o   71.246   3.9486  603.160   66.170  740.800   93.609  465.700   93.548   78.834   5.0552   62.198   6.4638 16.63631 8.205815 
1 1 1   16    9    7 o   47.885   2.5121  271.850   28.306  350.000   40.160  194.700   39.902   54.295   3.1458   40.305   4.2570 13.99069 5.293223 
1 1 1   16    9    8 o  115.835   5.7248  1596.37  156.588  1914.40  221.756  1280.10  221.143  126.300   7.4687  102.720   9.2151 23.58010 11.86164 
1 1 1   16    9    9 o   81.400   4.3845  788.215   83.965  878.100  118.868  698.700  118.622   85.677   5.9116   76.236   6.6561 9.440872 8.902268 
1 1 1   16    9   10 o   42.339   2.5813  212.795   25.684  236.000   36.366  189.700   36.279   44.504   3.4884   39.817   3.9090 4.687080 5.239152 
1 1 1   16    9   11 o   79.601   4.2432  753.874   79.471  886.200  112.506  622.100  112.271   86.100   5.5634   71.852   6.6942 14.24805 8.704213 
1 1 1   16    9   12 o   96.335   5.0275  1106.77  113.970  1295.40  161.321  918.800  161.036  103.881   6.6109   87.080   7.9179 16.80009 10.31491 
1 1 1   16    9   13 o   81.434   4.3751  789.955   83.822  879.200  118.672  701.100  118.412   85.623   5.9055   76.249   6.6429 9.374077 8.888423 
1 1 1   16    9   14 o   94.158   4.6228  1054.63  102.784  1331.30  145.561  779.500  145.156  105.392   5.8722   80.054   7.7769 25.33813 9.744895 
1 1 1   16    9   15 f  229.872   12.452  6628.52  673.377  7490.90  952.758  5767.80  951.841  238.451   17.033  205.357   19.878 33.09399 26.17704 
1 1 1   16    9   16 o   22.830   1.8440   62.027   9.8560   66.400   13.976   57.700   13.901   23.545   2.5548   21.901   2.7485 1.643482 3.752506 
1 1 1   16    9   17 o   27.329   1.9927   88.818   12.771   95.200   18.106   82.500   18.015   28.211   2.7531   26.213   2.9624 1.997898 4.044122 
1 1 1   16    9   18 o   22.621   1.8348   60.926   9.7165   65.100   13.781   56.800   13.702   23.303   2.5458   21.721   2.7319 1.582693 3.734193 
1 1 1   16    9   19 o   58.013   3.3509  401.375   45.709  417.600   64.693  385.200   64.591   58.900   4.6902   56.507   4.8888 2.392998 6.774862 
1 1 1   16    9   20 o   70.824   3.9754  600.464   66.216  636.100   93.690  564.900   93.596   72.451   5.5178   68.134   5.8748 4.316429 8.059771 
1 1 1   16    9   21 o   75.788   4.4467  690.521   79.230  754.800  111.770  625.600  112.327   78.658   6.0644   71.290   6.7531 7.367714 9.076404 
1 1 1   16    9   22 o   15.919   1.7405   30.354   6.4363   41.100   9.0798   19.500   9.1251   18.503   2.1162   12.554   3.0972 5.949054 3.751139 
1 1 1   16    9   23 o   26.148   2.0038   81.502   12.278   81.600   17.235   81.400   17.495   26.037   2.8497   25.996   2.8994 0.4123116E-01 4.065394 
1 1 1   16    9   24 o   70.677   5.8329  613.900   96.477  613.900   96.477   0.0000   0.0000   70.677   5.8329  ?   ?  0.000000 5.832860 
1 1 1   16    9   25 o   35.364   2.2579  149.084   18.757  176.400   26.583  122.000   26.469   38.357   2.9577   31.724   3.5969 6.632772 4.656846 
1 1 1   16    9   26 o   20.116   1.7655   48.316   8.3015   54.100   11.775   42.600   11.706   21.202   2.3938   18.721   2.7281 2.480165 3.629440 
1 1 1   16    9   27 o   90.146   4.9199  992.016  104.333  1142.30  147.665  842.200  147.434   95.538   6.5856   81.055   7.7992 14.48302 10.20776 
1 1 1   16    9   28 o   16.106   1.6811   31.080   6.2991   32.000   9.0092   30.200   8.8107   16.221   2.4267   15.744   2.4495 0.4763098 3.448014 
1 1 1   16    9   29 o   79.529   4.3722  771.433   81.793  890.900  115.778  652.400  115.568   84.447   5.8419   71.404   6.9419 13.04329 9.072929 
1 1 1   16    9   30 o   71.206   3.8150  616.385   63.914  730.600   90.553  503.000   90.223   76.747   5.0243   62.863   6.1571 13.88454 7.946918 
1 1 1   16    9   31 f   50.414   2.9324  306.612   34.758  348.100   49.237  265.400   49.073   53.283   3.9413   46.195   4.5581 7.087448 6.025764 
1 1 1   16    9   32 o   23.928   1.8728   68.604   10.497   72.500   14.936   64.800   14.757   24.435   2.6300   23.051   2.7663 1.383612 3.816969 
1 1 1   16    9   33 f   52.127   4.6327  342.700   56.430  342.700   56.430   0.0000   0.0000   52.127   4.6327  ?   ?  0.000000 4.632710 
1 1 1   16    9   34 o   24.708   2.8299   74.800   16.213   74.800   16.213   0.0000   0.0000   24.708   2.8299  ?   ?  0.000000 2.829921 
1 1 1   16    9   35 o   15.328   2.4699   29.000   8.6363   29.000   8.6363   0.0000   0.0000   15.328   2.4699  ?   ?  0.000000 2.469937 
1 1 1   16    9   36 o   46.697   4.2857  276.800   46.730  276.800   46.730   0.0000   0.0000   46.697   4.2857  ?   ?  0.000000 4.285692 
1 1 1   16    9   37 o   39.578   3.7626  196.700   34.741  196.700   34.741   0.0000   0.0000   39.578   3.7626  ?   ?  0.000000 3.762556 
1 1 1   16    9   38 o  ?   ?   -3.5000   0.7897  -3.5000   0.7897   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   16    9   39 o   11.557   2.4751   16.800   6.5513   16.800   6.5513   0.0000   0.0000   11.557   2.4751  ?   ?  0.000000 2.475133 
1 1 1   16    9   40 o   12.487   2.4501   19.600   6.9666   19.600   6.9666   0.0000   0.0000   12.487   2.4501  ?   ?  0.000000 2.450128 
1 1 1   16    9   41 o   4.0542   1.6614   0.7000   2.5376   0.7000   2.5376   0.0000   0.0000   4.0542   1.6614  ?   ?  0.000000 1.661400 
1 1 1   16    9   42 o   11.535   2.4112   16.900   6.3563   16.900   6.3563   0.0000   0.0000   11.535   2.4112  ?   ?  0.000000 2.411180 
1 1 1   16    9   43 o   11.939   2.4673   18.200   6.7260   18.200   6.7260   0.0000   0.0000   11.939   2.4673  ?   ?  0.000000 2.467329 
1 1 1   16    9   44 o   26.755   3.1885   92.500   19.747   92.500   19.747   0.0000   0.0000   26.755   3.1885  ?   ?  0.000000 3.188488 
1 1 1   16    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16    9   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10    0 o  221.973   17.508  6105.90  904.587  6105.90  904.587  6105.90  904.587  221.973   17.508  221.973   17.508 0.000000 0.000000 
1 1 1   16   10    1 o  103.775   5.4682  1282.94  133.525  1491.20  188.952  1075.20  188.715  111.554   7.2117   94.339   8.5647 17.21519 11.19654 
1 1 1   16   10    2 o  247.960   13.054  7537.72  761.664  8455.00  1077.82  6622.70  1076.49  258.681   17.752  226.515   20.343 32.16646 26.99941 
1 1 1   16   10    3 o  179.333   9.6041  3881.83  405.225  4103.40  573.229  3660.50  572.922  182.547   13.392  171.900   14.243 10.64702 19.54956 
1 1 1   16   10    4 o  113.893   6.0671  1548.00  162.581  1687.50  230.052  1408.80  229.798  118.400   8.2804  107.909   9.1034 10.49202 12.30598 
1 1 1   16   10    5 o   15.655   1.6531   29.275   6.0184   35.500   8.5288   23.100   8.4940   17.198   2.1469   13.737   2.7148 3.460897 3.461101 
1 1 1   16   10    6 o  123.319   6.7248  1819.39  195.087  2215.40  275.865  1423.20  275.924  135.556   8.6634  107.794   10.994 27.76199 13.99720 
1 1 1   16   10    7 o   16.548   1.5210   32.620   5.8767   47.700   8.3760   18.000   8.2475   20.012   1.7914   12.094   2.9208 7.918259 3.426435 
1 1 1   16   10    8 f   38.033   2.3874  171.695   21.333  195.800   30.204  147.700   30.134   40.549   3.1799   35.119   3.6889 5.429802 4.870252 
1 1 1   16   10    9 o   12.021   1.6068   17.377   4.4470   20.000   6.3167   14.800   6.2618   12.833   2.1614   10.971   2.4759 1.861951 3.286611 
1 1 1   16   10   10 o   64.488   3.5987  494.257   54.583  531.100   77.290  457.600   77.095   66.668   4.9448   61.792   5.3359 4.876022 7.274803 
1 1 1   16   10   11 o   27.409   2.0280   89.294   13.033   90.000   18.517   88.600   18.346   27.423   2.9037   27.207   2.9003 0.2159443 4.104037 
1 1 1   16   10   12 o  108.841   5.5053  1415.45  141.033  1688.70  199.724  1143.70  199.178  118.436   7.1752   96.884   8.8022 21.55270 11.35622 
1 1 1   16   10   13 o  117.275   6.4194  1651.55  177.096  1695.50  250.323  1607.50  250.581  117.863   9.0637  114.631   9.3384 3.231361 13.01370 
1 1 1   16   10   14 o   91.999   5.0679  1011.95  109.672  1016.30  155.098  1007.60  155.102   91.613   7.2282   91.207   7.2617 0.4057999 10.24598 
1 1 1   16   10   15 o  111.716   6.1118  1500.50  160.620  1489.60  227.191  1511.40  227.111  110.258   8.7993  111.100   8.7272 -0.8411942 12.39319 
1 1 1   16   10   16 f   81.313   4.3060  789.463   82.384  925.500  116.632  654.000  116.385   87.715   5.6612   73.354   6.7964 14.36129 8.845297 
1 1 1   16   10   17 o   35.958   2.2524  153.656   19.028  176.800   26.965  130.700   26.855   38.493   2.9900   32.985   3.5014 5.508327 4.604332 
1 1 1   16   10   18 o   31.191   2.0723  115.654   15.176  133.500   21.521   98.000   21.405   33.441   2.7497   28.545   3.2326 4.896622 4.243824 
1 1 1   16   10   19 o   65.425   3.6797  511.391   56.618  550.900   80.129  472.000   80.010   67.570   5.0587   62.395   5.4861 5.174553 7.462418 
1 1 1   16   10   20 o   98.151   5.3408  1163.92  123.317  1251.50  174.530  1076.60  174.264  100.762   7.3867   93.077   8.0067 7.685463 10.89356 
1 1 1   16   10   21 o   62.435   3.7458  467.010   54.970  524.000   77.597  409.600   77.882   65.776   5.0341   57.870   5.7765 7.906387 7.662222 
1 1 1   16   10   22 o   41.004   2.6161  200.526   25.199  225.100   35.618  175.900   35.655   43.286   3.5150   38.120   4.0217 5.166313 5.341244 
1 1 1   16   10   23 o  102.393   5.7397  1281.17  138.219  1286.30  195.068  1276.00  195.877  100.803   8.2678  100.336   8.3430 0.4676132 11.74572 
1 1 1   16   10   24 o   34.280   2.3016  140.133   18.522  138.300   26.072  142.000   26.319   33.877   3.3011   34.334   3.2864 -0.4572868 4.658124 
1 1 1   16   10   25 o   84.891   4.8154  875.888   96.131  920.600  135.891  831.100  136.008   85.873   6.7561   81.301   7.1574 4.571442 9.842409 
1 1 1   16   10   26 o   75.758   4.4649  696.499   79.520  810.700  112.337  581.800  112.581   80.945   5.9182   67.795   7.1398 13.14984 9.273736 
1 1 1   16   10   27 o   20.549   1.8122   50.457   8.7036   48.700   12.333   52.200   12.284   20.043   2.6724   20.784   2.5569 -0.7413177 3.698583 
1 1 1   16   10   28 o   24.362   1.9024   70.872   10.857   80.400   15.377   61.400   15.332   25.848   2.5527   22.472   2.9614 3.376062 3.909753 
1 1 1   16   10   29 f   35.980   2.3274  154.842   19.668  175.300   27.854  134.500   27.776   38.105   3.1231   33.216   3.5988 4.888615 4.765015 
1 1 1   16   10   30 o   26.676   2.0081   85.145   12.557   86.800   17.785   83.500   17.731   26.757   2.8590   26.225   2.9124 0.5323486 4.081172 
1 1 1   16   10   31 o   28.432   1.9044   96.649   12.712  121.600   18.051   72.100   17.905   31.793   2.4227   24.235   3.2076 7.557734 4.019714 
1 1 1   16   10   32 o   43.318   2.6214  226.363   26.687  262.600   37.787  190.300   37.696   46.303   3.4814   39.075   4.1488 7.228287 5.416031 
1 1 1   16   10   33 o   48.626   2.9637  287.378   33.868  298.800   47.943  276.000   47.850   48.903   4.1923   46.876   4.3733 2.027340 6.058147 
1 1 1   16   10   34 o   36.818   2.1304  162.974   18.443  199.900   26.199  126.700   25.967   40.555   2.7521   31.950   3.4991 8.605125 4.451695 
1 1 1   16   10   35 o   48.842   4.4427  303.500   50.679  303.500   50.679   0.0000   0.0000   48.842   4.4427  ?   ?  0.000000 4.442715 
1 1 1   16   10   36 o   22.282   2.7494   61.100   14.159   61.100   14.159   0.0000   0.0000   22.282   2.7494  ?   ?  0.000000 2.749377 
1 1 1   16   10   37 o   5.5921   2.1217   2.7000   3.8587   2.7000   3.8587   0.0000   0.0000   5.5921   2.1217  ?   ?  0.000000 2.121654 
1 1 1   16   10   38 o   24.044   2.8240   71.400   15.728   71.400   15.728   0.0000   0.0000   24.044   2.8240  ?   ?  0.000000 2.823960 
1 1 1   16   10   39 o   20.368   2.6561   51.400   12.471   51.400   12.471   0.0000   0.0000   20.368   2.6561  ?   ?  0.000000 2.656133 
1 1 1   16   10   40 f   30.749   3.2339  119.100   23.129  119.100   23.129   0.0000   0.0000   30.749   3.2339  ?   ?  0.000000 3.233916 
1 1 1   16   10   41 o   18.588   2.5987   43.200   11.095   43.200   11.095   0.0000   0.0000   18.588   2.5987  ?   ?  0.000000 2.598728 
1 1 1   16   10   42 f   23.134   2.8264   67.600   15.119   67.600   15.119   0.0000   0.0000   23.134   2.8264  ?   ?  0.000000 2.826368 
1 1 1   16   10   43 o   19.993   2.6896   50.600   12.375   50.600   12.375   0.0000   0.0000   19.993   2.6896  ?   ?  0.000000 2.689581 
1 1 1   16   10   44 o   11.285   2.5390   16.400   6.6025   16.400   6.6025   0.0000   0.0000   11.285   2.5390  ?   ?  0.000000 2.539049 
1 1 1   16   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   10   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11    0 o  222.643   17.597  6156.10  911.834  6156.10  911.834  6156.10  911.834  222.643   17.597  222.643   17.597 0.000000 0.000000 
1 1 1   16   11    1 o  145.665   7.7507  2545.44  265.641  2771.70  375.804  2319.50  375.542  151.002   10.607  137.654   11.663 13.34746 15.76473 
1 1 1   16   11    2 o  216.681   11.494  5721.70  586.026  6385.70  829.112  5058.80  828.421  226.014   15.631  199.441   17.777 26.57362 23.67164 
1 1 1   16   11    3 o  145.451   7.7478  2538.68  265.147  2894.70  375.088  2183.10  374.860  154.395   10.348  133.318   12.037 21.07738 15.87378 
1 1 1   16   11    4 o   47.281   2.5562  265.104   28.433  346.400   40.309  184.600   40.112   54.010   3.1746   39.209   4.4088 14.80048 5.432836 
1 1 1   16   11    5 o   63.923   3.4714  485.232   52.203  541.200   74.038  429.900   73.616   67.369   4.6831   59.921   5.2558 7.448128 7.039551 
1 1 1   16   11    6 o   64.985   3.6818  501.822   56.265  565.100   79.589  438.600   79.554   68.807   4.9311   60.461   5.6372 8.345974 7.489561 
1 1 1   16   11    7 o  111.903   5.9452  1495.64  156.535  1685.00  221.499  1306.70  221.250  118.270   7.9777  103.753   9.1235 14.51740 12.11947 
1 1 1   16   11    8 o   70.165   3.9405  585.429   65.024  621.000   91.984  549.900   91.931   72.045   5.4471   67.706   5.8062 4.338295 7.961370 
1 1 1   16   11    9 o  159.295   8.4544  3062.86  316.877  3339.40  448.363  2786.90  447.901  164.797   11.596  149.838   12.781 14.95930 17.25739 
1 1 1   16   11   10 o  235.733   12.793  6892.06  709.477  7402.20  1003.83  6382.90  1002.87  238.931   17.923  220.013   19.506 18.91840 26.48952 
1 1 1   16   11   11 o   44.468   2.5547  234.717   26.713  276.400   37.861  193.400   37.694   48.185   3.3483   40.173   4.0279 8.011963 5.237852 
1 1 1   16   11   12 o  124.580   6.4958  1863.64  190.430  2116.40  269.556  1611.80  269.063  131.926   8.7017  114.486   10.055 17.43983 13.29708 
1 1 1   16   11   13 f  111.671   6.0128  1496.26  157.969  1730.80  223.468  1262.00  223.337  119.427   7.9699  101.326   9.4430 18.10103 12.35674 
1 1 1   16   11   14 o   89.310   4.6276  952.361   97.258  1127.40  137.717  778.200  137.372   96.824   6.0538   80.003   7.3539 16.82112 9.525172 
1 1 1   16   11   15 f   20.991   1.8007   52.480   8.8392   58.000   12.523   47.000   12.478   21.999   2.4524   19.730   2.7534 2.269360 3.687222 
1 1 1   16   11   16 o   22.706   1.7681   61.335   9.4053   75.200   13.357   47.700   13.246   25.102   2.2782   19.850   2.9125 5.252548 3.697702 
1 1 1   16   11   17 o  111.973   6.0497  1514.66  159.365  1641.50  225.502  1388.10  225.251  115.433   8.3289  105.669   9.1166 9.764137 12.34835 
1 1 1   16   11   18 o   64.107   3.5924  490.597   54.163  530.700   76.696  450.700   76.500   66.371   4.9288   61.020   5.3636 5.351166 7.284328 
1 1 1   16   11   19 o   54.545   3.1893  354.931   40.899  370.500   57.876  339.400   57.805   55.467   4.4564   53.022   4.6643 2.444359 6.450967 
1 1 1   16   11   20 o   51.832   3.0541  320.525   37.215  335.100   52.676  306.000   52.584   52.747   4.2656   50.340   4.4701 2.407001 6.178800 
1 1 1   16   11   21 o   39.841   2.6344  189.319   24.644  208.200   34.743  170.200   34.961   41.621   3.5696   37.509   4.0093 4.112091 5.368102 
1 1 1   16   11   22 o   73.343   4.0865  646.989   70.492  716.200   99.770  578.000   99.611   76.597   5.5538   68.478   6.2283 8.119278 8.344815 
1 1 1   16   11   23 o   66.514   3.8136  531.667   59.648  527.300   84.036  536.100   84.677   65.639   5.4717   66.189   5.4667 -0.5505524 7.734560 
1 1 1   16   11   24 o   14.642   1.7071   25.734   5.7914   31.600   8.1667   19.800   8.2141   16.172   2.1954   12.650   2.8216 3.521791 3.575083 
1 1 1   16   11   25 o   36.115   2.2569  155.503   19.150  201.200   27.126  110.100   27.039   40.996   2.8192   30.033   3.9051 10.96384 4.816372 
1 1 1   16   11   26 o   55.648   3.3062  371.924   43.251  393.400   61.131  350.400   61.200   56.799   4.5973   53.468   4.9019 3.330883 6.720345 
1 1 1   16   11   27 o   33.066   2.2216  130.554   17.246  154.700   24.413  106.500   24.366   35.874   2.9069   29.573   3.5608 6.301064 4.596688 
1 1 1   16   11   28 o   47.463   2.8530  270.242   31.827  301.500   45.052  239.100   44.968   49.825   3.8592   44.159   4.3698 5.665863 5.829972 
1 1 1   16   11   29 o   35.668   2.3716  152.350   19.861  152.400   28.130  152.300   28.045   35.413   3.4059   35.404   3.3962 0.9017944E-02 4.809854 
1 1 1   16   11   30 o   67.200   3.6423  549.178   57.581  654.900   81.595  444.300   81.269   72.652   4.7828   59.030   5.9096 13.62209 7.602598 
1 1 1   16   11   31 f   53.273   3.1334  344.008   39.243  383.600   55.564  304.600   55.434   55.669   4.2591   49.248   4.8289 6.420856 6.438813 
1 1 1   16   11   32 o   12.851   1.6102   19.939   4.7790   21.900   6.8698   18.100   6.6525   13.349   2.2600   12.078   2.4169 1.270797 3.308912 
1 1 1   16   11   33 o   16.777   1.6377   33.816   6.4054   38.900   9.1354   28.900   8.9838   17.889   2.2095   15.294   2.5794 2.595591 3.396326 
1 1 1   16   11   34 o   48.933   2.8830  291.550   33.165  327.400   47.002  256.000   46.804   51.225   3.9154   44.896   4.4744 6.328560 5.945609 
1 1 1   16   11   35 o   15.637   1.6634   29.478   6.0477   30.500   8.6472   28.500   8.4615   15.741   2.4026   15.196   2.4407 0.5449467 3.424835 
1 1 1   16   11   36 o   27.921   3.0128   96.200   19.549   96.200   19.549   0.0000   0.0000   27.921   3.0128  ?   ?  0.000000 3.012784 
1 1 1   16   11   37 o   42.154   3.9590  224.600   38.947  224.600   38.947   0.0000   0.0000   42.154   3.9590  ?   ?  0.000000 3.959048 
1 1 1   16   11   38 o   12.687   2.4325   20.100   7.0221   20.100   7.0221   0.0000   0.0000   12.687   2.4325  ?   ?  0.000000 2.432476 
1 1 1   16   11   39 f   13.602   2.5253   23.200   7.8125   23.200   7.8125   0.0000   0.0000   13.602   2.5253  ?   ?  0.000000 2.525336 
1 1 1   16   11   40 o   11.655   2.5024   17.200   6.6813   17.200   6.6813   0.0000   0.0000   11.655   2.5024  ?   ?  0.000000 2.502356 
1 1 1   16   11   41 o   11.373   2.4297   16.400   6.3269   16.400   6.3269   0.0000   0.0000   11.373   2.4297  ?   ?  0.000000 2.429683 
1 1 1   16   11   42 o   9.4499   2.4112   11.400   5.3981   11.400   5.3981   0.0000   0.0000   9.4499   2.4112  ?   ?  0.000000 2.411183 
1 1 1   16   11   43 o   4.7933   1.8458   1.9000   2.9482   1.9000   2.9482   0.0000   0.0000   4.7933   1.8458  ?   ?  0.000000 1.845809 
1 1 1   16   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   11   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12    0 f   19.254   2.6922   46.300   11.555   46.300   11.555   46.300   11.555   19.254   2.6922   19.254   2.6922 0.000000 0.000000 
1 1 1   16   12    1 o   86.878   4.7869  898.649   97.825  894.000  138.329  903.300  138.362   86.279   6.8459   86.736   6.8102 -0.4574661 9.656395 
1 1 1   16   12    2 o  162.703   8.7885  3191.60  336.402  3118.50  475.733  3264.70  475.755  159.013   12.778  162.884   12.464 -3.870972 17.84983 
1 1 1   16   12    3 o   78.503   4.4117  733.307   81.451  761.400  115.073  705.100  115.305   79.710   6.1614   76.637   6.4310 3.073219 8.906269 
1 1 1   16   12    4 o  134.615   7.0501  2171.22  223.327  2615.00  316.002  1728.40  315.662  147.061   9.1451  118.625   11.410 28.43547 14.62235 
1 1 1   16   12    5 o  141.327   7.3924  2396.67  245.843  2746.50  347.888  2047.70  347.462  150.406   9.8496  129.108   11.518 21.29762 15.15512 
1 1 1   16   12    6 o  128.088   6.9119  1966.46  208.284  2055.70  294.620  1877.30  294.497  130.060   9.6621  124.078   10.140 5.981430 14.00622 
1 1 1   16   12    7 o   72.371   3.4194  620.336   58.436  818.800   82.896  424.300   82.388   82.969   4.2454   59.376   5.9564 23.59267 7.314482 
1 1 1   16   12    8 o   21.845   1.9771   56.865   10.088   67.100   14.122   46.200   14.415   23.679   2.5667   19.494   3.2457 4.185448 4.137982 
1 1 1   16   12    9 o   88.747   4.6259  938.336   96.607  1105.10  136.794  772.400  136.454   96.037   6.0632   79.931   7.3104 16.10593 9.497611 
1 1 1   16   12   10 o   32.629   2.2157  126.480   16.971  153.700   24.009   99.300   23.992   35.921   2.8540   28.717   3.6184 7.204456 4.608500 
1 1 1   16   12   11 o   91.677   4.9927  1003.71  107.676  1093.10  152.350  914.500  152.204   95.228   6.8203   86.870   7.4931 8.358131 10.13227 
1 1 1   16   12   12 o   76.918   4.2290  705.254   76.516  822.900  108.254  587.800  108.166   82.829   5.5671   69.686   6.6542 13.14270 8.675862 
1 1 1   16   12   13 o   67.078   3.7508  535.873   59.173  609.800   83.727  462.100   83.639   71.340   5.0018   61.887   5.7907 9.453381 7.651776 
1 1 1   16   12   14 o  136.881   7.4017  2271.89  238.352  2449.60  337.232  2094.50  336.931  140.497   10.235  129.284   11.145 11.21368 15.13210 
1 1 1   16   12   15 o  120.553   6.6068  1757.40  187.359  1851.60  264.966  1663.20  264.966  122.398   9.2355  115.650   9.7944 6.747856 13.46203 
1 1 1   16   12   16 o   91.101   5.0030  996.085  107.213  1129.30  151.659  863.000  151.584   96.413   6.7031   83.816   7.7465 12.59693 10.24404 
1 1 1   16   12   17 o  141.267   7.8612  2450.30  261.197  2601.90  369.270  2298.50  369.507  142.992   11.021  133.628   11.833 9.363800 16.17029 
1 1 1   16   12   18 o  118.085   6.4708  1697.11  179.747  1928.20  254.248  1466.20  254.153  124.415   8.7090  107.423   10.139 16.99193 13.36601 
1 1 1   16   12   19 o   16.533   1.6797   32.672   6.4667   39.800   9.1634   25.600   9.1274   18.201   2.1752   14.445   2.7768 3.755780 3.527351 
1 1 1   16   12   20 o   36.067   2.4504  155.033   20.746  177.100   29.284  132.800   29.394   38.430   3.2576   33.129   3.8278 5.301311 5.026360 
1 1 1   16   12   21 o   39.670   2.6126  187.755   24.337  211.700   34.343  163.600   34.492   41.971   3.4969   36.741   4.0425 5.230347 5.345119 
1 1 1   16   12   22 o   83.985   4.8577  854.474   95.926  1012.40  135.564  696.100  135.756   90.633   6.3748   74.251   7.8623 16.38221 10.12200 
1 1 1   16   12   23 o   18.535   1.7527   41.050   7.5798   49.100   10.719   33.000   10.719   20.211   2.2863   16.415   2.8700 3.796141 3.669373 
1 1 1   16   12   24 o   18.169   2.5370   40.000   10.588   40.000   10.588   0.0000   0.0000   18.169   2.5370  ?   ?  0.000000 2.537039 
1 1 1   16   12   25 o   61.095   3.6694  449.464   52.692  571.800   74.468  326.800   74.568   68.558   4.6270   51.052   6.3206 17.50595 7.833144 
1 1 1   16   12   26 o   54.040   3.3187  351.009   42.144  407.100   59.517  294.600   59.685   57.842   4.3902   48.826   5.2597 9.015965 6.851100 
1 1 1   16   12   27 o   36.556   2.4573  159.869   21.088  172.600   29.743  147.000   29.905   37.780   3.3693   34.755   3.7008 3.025188 5.004802 
1 1 1   16   12   28 o   46.923   3.0533  264.916   33.647  308.200   47.440  221.100   47.730   50.291   4.0286   42.227   4.8764 8.063961 6.325276 
1 1 1   16   12   29 o   50.258   3.0115  304.368   35.576  354.200   50.328  254.600   50.296   53.834   3.9873   45.252   4.7792 8.582706 6.224111 
1 1 1   16   12   30 o   69.696   3.9002  594.299   63.931  684.900   90.512  504.100   90.311   73.832   5.2253   62.531   6.1979 11.30094 8.106650 
1 1 1   16   12   31 o   42.970   2.4221  221.921   24.476  283.000   34.723  161.600   34.507   48.296   3.0605   36.018   4.1319 12.27816 5.141957 
1 1 1   16   12   32 o   16.964   1.7158   34.601   6.7784   34.100   9.5943   35.100   9.5779   16.669   2.5157   16.928   2.4687 -0.2587395 3.524667 
1 1 1   16   12   33 o   29.723   1.9670  106.028   13.727  133.500   19.493   79.000   19.335   33.209   2.5042   25.235   3.3257 7.974047 4.163086 
1 1 1   16   12   34 o   18.192   1.5647   39.691   6.6563   51.600   9.5415   28.400   9.2903   20.675   1.9786   15.107   2.7036 5.567945 3.350202 
1 1 1   16   12   35 o   10.018   1.5798   12.241   3.6134   18.000   5.2614   7.1000   4.9713   12.128   1.8995   7.7163   2.4380 4.411577 3.090642 
1 1 1   16   12   36 o   1.7841   0.5953   0.3538   0.2942  -4.4000   1.7033   0.5000   0.2986   1.9059   0.9495   2.0358   0.5882 -0.1299415 1.116897 
1 1 1   16   12   37 o   18.880   1.6414   42.860   7.2446   49.700   10.315   36.200   10.178   20.206   2.1973   17.096   2.6033 3.109844 3.406624 
1 1 1   16   12   38 o   33.245   3.3545  138.300   25.974  138.300   25.974   0.0000   0.0000   33.245   3.3545  ?   ?  0.000000 3.354500 
1 1 1   16   12   39 o   19.189   2.6497   45.800   11.686   45.800   11.686   0.0000   0.0000   19.189   2.6497  ?   ?  0.000000 2.649717 
1 1 1   16   12   40 o   29.208   3.1478  107.600   21.367  107.600   21.367   0.0000   0.0000   29.208   3.1478  ?   ?  0.000000 3.147839 
1 1 1   16   12   41 o   27.921   3.0906   98.900   20.035   98.900   20.035   0.0000   0.0000   27.921   3.0906  ?   ?  0.000000 3.090592 
1 1 1   16   12   42 o   3.8480   1.5545   0.8000   2.1839   0.8000   2.1839   0.0000   0.0000   3.8480   1.5545  ?   ?  0.000000 1.554468 
1 1 1   16   12   43 o   24.493   2.9994   76.800   16.985   76.800   16.985   0.0000   0.0000   24.493   2.9994  ?   ?  0.000000 2.999379 
1 1 1   16   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   12   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13    0 o   90.413   7.2146  989.600  151.774  989.600  151.774  989.600  151.774   90.413   7.2146   90.413   7.2146 0.000000 0.000000 
1 1 1   16   13    1 o   55.153   3.1902  361.266   41.371  399.700   58.533  322.900   58.481   57.890   4.3129   51.924   4.8248 5.965843 6.471463 
1 1 1   16   13    2 o  123.995   6.6689  1840.92  194.545  1922.50  275.267  1759.50  274.990  125.897   9.3256  120.257   9.7682 5.640221 13.50502 
1 1 1   16   13    3 o  146.485   7.4893  2576.59  258.194  3229.90  365.395  1925.10  364.887  163.239   9.5206  124.620   12.571 38.61934 15.76970 
1 1 1   16   13    4 o   62.897   3.6100  470.212   53.391  479.100   75.456  461.300   75.558   63.285   5.0924   62.072   5.2029 1.212692 7.280296 
1 1 1   16   13    5 o   97.498   5.3148  1134.21  121.899  1263.60  172.415  1004.90  172.367  102.499   7.1686   91.109   8.0962 11.39022 10.81371 
1 1 1   16   13    6 f   69.920   3.8115  581.275   62.694  669.000   88.751  493.900   88.574   74.840   5.0516   64.098   5.9188 10.74162 7.781437 
1 1 1   16   13    7 o   99.738   5.4848  1188.34  128.680  1338.80  181.959  1037.80  182.002  105.408   7.3565   92.436   8.4309 12.97169 11.18921 
1 1 1   16   13    8 o  132.192   7.0846  2100.80  220.342  2422.20  311.685  1779.70  311.538  141.031   9.4133  120.057   11.115 20.97403 14.56568 
1 1 1   16   13    9 o   68.947   4.0685  566.250   65.946  627.100   93.033  504.800   93.491   72.320   5.4887   64.696   6.1955 7.624176 8.277039 
1 1 1   16   13   10 o  128.877   7.1732  2002.29  217.433  2222.60  307.292  1781.40  307.701  134.667   9.7289  119.876   10.993 14.79083 14.67950 
1 1 1   16   13   11 f   93.197   4.9752  1037.91  109.094  1243.50  154.371  832.800  154.194  101.633   6.4659   82.638   8.0021 18.99590 10.28792 
1 1 1   16   13   12 o   57.607   3.3436  394.894   45.287  440.000   64.050  349.800   64.041   60.635   4.5055   53.917   5.0903 6.718109 6.797882 
1 1 1   16   13   13 o   61.917   3.4440  456.405   50.155  542.200   70.990  370.900   70.869   67.320   4.4915   55.419   5.4876 11.90072 7.091361 
1 1 1   16   13   14 o   82.173   4.4543  807.216   86.108  926.800  121.870  688.000  121.682   87.665   5.9219   75.166   6.9337 12.49882 9.118418 
1 1 1   16   13   15 o   72.253   3.8823  623.102   65.994  743.300   93.426  503.400   93.233   78.650   5.0573   64.353   6.2126 14.29706 8.010768 
1 1 1   16   13   16 o   96.627   5.3171  1123.97  120.855  1230.10  170.942  1017.90  170.887  100.282   7.2681   90.815   8.0523 9.467400 10.84729 
1 1 1   16   13   17 o   35.265   2.2936  147.949   18.996  173.600   26.890  122.400   26.837   38.115   3.0122   31.860   3.6322 6.255655 4.718741 
1 1 1   16   13   18 f  123.423   6.4730  1856.71  187.996  2262.30  266.076  1452.40  265.658  134.862   8.3968  106.235   10.737 28.62681 13.63073 
1 1 1   16   13   19 o   92.385   5.1565  1031.71  112.042  1085.80  158.429  977.600  158.473   93.760   7.2111   88.702   7.6405 5.058418 10.50599 
1 1 1   16   13   20 f  113.648   6.5821  1587.23  175.883  1756.90  248.384  1416.60  249.090  117.615   9.0118  104.509   10.224 13.10580 13.62907 
1 1 1   16   13   21 o   12.907   1.6425   20.034   4.8926   24.600   6.9311   15.500   6.9073   14.250   2.1248   11.198   2.6529 3.051968 3.398911 
1 1 1   16   13   22 o   63.752   3.8335  488.687   57.443  566.100   81.112  410.800   81.361   68.186   5.0740   57.638   6.0690 10.54815 7.910619 
1 1 1   16   13   23 f   40.904   2.6682  199.909   25.631  226.500   36.174  173.100   36.323   43.359   3.5647   37.723   4.1460 5.635963 5.467748 
1 1 1   16   13   24 o   57.848   3.4780  402.064   47.288  439.500   66.775  364.400   66.977   60.053   4.7476   54.446   5.2757 5.606567 7.097362 
1 1 1   16   13   25 o   74.798   4.1877  677.063   73.669  761.500  104.237  592.800  104.130   78.568   5.6562   68.808   6.4852 9.760193 8.605308 
1 1 1   16   13   26 o  108.606   6.4029  1475.69  163.481  1668.70  230.937  1281.80  231.457  112.851   8.7342   97.075   10.252 15.77579 13.46834 
1 1 1   16   13   27 o   79.076   4.6523  764.984   86.488  809.300  121.925  720.100  122.705   80.035   6.5077   75.088   7.0010 4.946724 9.558476 
1 1 1   16   13   28 o   38.775   2.5200  180.208   22.949  181.500   32.353  178.900   32.556   38.623   3.5884   38.326   3.6411 0.2967567 5.112142 
1 1 1   16   13   29 o   20.579   1.8561   50.749   8.9225   55.100   12.548   46.300   12.689   21.319   2.5428   19.449   2.8472 1.869810 3.817387 
1 1 1   16   13   30 o   27.223   2.0018   88.775   12.778  111.000   18.102   66.700   18.040   30.331   2.5510   23.238   3.3872 7.093258 4.240403 
1 1 1   16   13   31 o   17.049   1.7840   34.979   7.0755   40.600   9.9378   29.200   10.076   18.263   2.3596   15.318   2.8917 2.944915 3.732259 
1 1 1   16   13   32 o   30.693   2.1846  113.340   15.730  112.300   22.145  114.400   22.346   30.252   3.1460   30.537   3.1440 -0.2850227 4.447694 
1 1 1   16   13   33 o   28.999   2.1118  101.249   14.361  102.000   20.319  100.500   20.301   28.816   3.0316   28.593   3.0540 0.2227955 4.303174 
1 1 1   16   13   34 o   42.912   2.6782  223.705   27.003  243.500   38.232  204.000   38.145   44.230   3.6944   40.239   4.0704 3.990414 5.496977 
1 1 1   16   13   35 o   46.920   2.7539  268.058   30.378  320.000   43.041  216.500   42.882   50.737   3.6161   41.127   4.4884 9.609848 5.763872 
1 1 1   16   13   36 o   19.162   1.7713   44.244   7.9243   45.100   11.249   43.400   11.165   19.148   2.5514   18.767   2.5883 0.3807983 3.634410 
1 1 1   16   13   37 o   21.120   1.8367   53.789   9.0687   54.400   12.942   53.200   12.711   21.003   2.6698   20.773   2.6519 0.2306156 3.763011 
1 1 1   16   13   38 o   24.487   1.7430   72.167   10.013   88.400   14.311   56.600   14.014   26.945   2.2703   21.318   2.8556 5.627081 3.648129 
1 1 1   16   13   39 o   23.226   2.7943   67.200   15.018   67.200   15.018   0.0000   0.0000   23.226   2.7943  ?   ?  0.000000 2.794345 
1 1 1   16   13   40 o   29.938   3.1999  113.400   22.271  113.400   22.271   0.0000   0.0000   29.938   3.1999  ?   ?  0.000000 3.199857 
1 1 1   16   13   41 o   20.918   2.7256   55.100   13.143   55.100   13.143   0.0000   0.0000   20.918   2.7256  ?   ?  0.000000 2.725603 
1 1 1   16   13   42 o   33.209   3.4771  143.400   26.862  143.400   26.862   0.0000   0.0000   33.209   3.4771  ?   ?  0.000000 3.477109 
1 1 1   16   13   43 o   16.405   2.7253   34.400   10.187   34.400   10.187   0.0000   0.0000   16.405   2.7253  ?   ?  0.000000 2.725337 
1 1 1   16   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   13   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14    0 o   16.709   2.6592   35.400   9.6962   35.400   9.6962   35.400   9.6962   16.709   2.6592   16.709   2.6592 0.000000 0.000000 
1 1 1   16   14    1 o  132.839   7.1983  2119.15  224.954  2159.30  318.122  2079.00  318.144  132.978   10.209  130.378   10.421 2.600204 14.58814 
1 1 1   16   14    2 o  133.521   7.2086  2141.30  226.438  2101.20  320.030  2181.50  320.435  131.056   10.427  133.636   10.232 -2.579865 14.60919 
1 1 1   16   14    3 f  139.885   7.6268  2355.03  250.978  2440.60  354.775  2269.30  355.099  141.124   10.726  135.847   11.169 5.277374 15.48528 
1 1 1   16   14    4 o   29.692   2.1236  104.755   14.791  121.200   20.914   88.300   20.921   31.880   2.8068   27.101   3.3398 4.779747 4.362575 
1 1 1   16   14    5 o   74.546   4.0965  661.357   71.834  764.300  101.634  558.600  101.542   79.930   5.4168   68.082   6.3910 11.84802 8.377722 
1 1 1   16   14    6 o   93.221   5.1303  1037.45  112.498  1040.30  158.991  1034.60  159.202   92.827   7.3125   92.563   7.3440 0.2644501 10.36372 
1 1 1   16   14    7 o   93.120   5.0505  1035.26  110.639  1195.90  156.512  874.800  156.422   99.705   6.6864   84.877   7.8950 14.82826 10.34597 
1 1 1   16   14    8 o   41.121   2.5493  200.860   24.632  236.900   34.854  164.900   34.816   44.585   3.3347   37.051   4.0450 7.533852 5.242391 
1 1 1   16   14    9 o   73.910   3.8977  650.306   67.785  796.900   95.975  504.400   95.749   81.635   5.0028   64.590   6.3604 17.04559 8.092151 
1 1 1   16   14   10 o   74.165   4.0745  655.518   71.084  837.900  100.591  473.600  100.463   83.670   5.1159   62.397   6.9358 21.27316 8.618452 
1 1 1   16   14   11 o   59.617   3.4493  423.100   48.352  506.600   68.380  339.600   68.380   65.084   4.4765   53.017   5.5440 12.06685 7.125671 
1 1 1   16   14   12 o  119.370   6.5121  1719.27  182.866  1890.10  258.633  1548.50  258.592  124.053   8.8880  111.700   9.9067 12.35332 13.30937 
1 1 1   16   14   13 o  161.119   8.8452  3190.63  335.239  3123.30  473.867  3258.10  474.332  155.932   12.988  159.562   12.694 -3.629700 18.16074 
1 1 1   16   14   14 o  112.224   6.1568  1521.53  162.533  1710.20  229.870  1332.90  229.844  117.925   8.3081  103.388   9.5216 14.53702 12.63663 
1 1 1   16   14   15 o   98.838   5.3592  1176.09  124.611  1381.00  176.297  971.500  176.157  106.395   7.0573   88.481   8.5371 17.91312 11.07641 
1 1 1   16   14   16 o   76.154   4.2593  694.820   76.286  757.600  107.910  632.100  107.859   79.044   5.8224   71.957   6.4150 7.086304 8.663275 
1 1 1   16   14   17 o  140.932   7.4749  2442.82  247.867  2989.20  350.754  1897.80  350.321  153.874   9.7030  119.890   12.561 33.98433 15.87210 
1 1 1   16   14   18 o   28.139   2.0297   94.264   13.396  105.400   18.976   83.200   18.914   29.669   2.7395   26.269   3.1095 3.399511 4.144122 
1 1 1   16   14   19 o   84.993   4.9873  873.679   99.656  1056.60  140.789  690.000  141.081   92.767   6.4675   73.985   8.2140 18.78201 10.45456 
1 1 1   16   14   20 o   69.615   4.1264  583.145   67.530  702.900   95.404  462.900   95.599   75.983   5.3515   61.017   6.7480 14.96585 8.612399 
1 1 1   16   14   21 o   17.904   1.7677   38.332   7.3759   43.100   10.397   33.500   10.466   18.907   2.3817   16.563   2.7740 2.344034 3.656162 
1 1 1   16   14   22 f   60.438   3.6258  438.775   51.507  547.800   72.784  329.400   72.901   67.214   4.6137   51.492   6.1151 15.72146 7.660323 
1 1 1   16   14   23 o   11.144   1.6183   15.010   4.1338   11.900   5.7654   18.300   5.9302   9.8167   2.4849   12.244   2.1283 -2.427650 3.271734 
1 1 1   16   14   24 o   24.528   1.9328   71.793   11.104   87.800   15.707   55.800   15.700   27.056   2.4863   21.378   3.2091 5.678385 4.059561 
1 1 1   16   14   25 o   82.632   4.6425  831.392   90.219  926.900  127.627  736.000  127.550   86.176   6.3158   76.147   7.1783 10.02982 9.561267 
1 1 1   16   14   26 o   72.240   4.3336  635.073   73.583  725.700  103.850  543.700  104.276   76.360   5.8028   65.374   6.8570 10.98606 8.982794 
1 1 1   16   14   27 o   56.485   3.4194  385.122   45.394  418.400   64.080  351.600   64.314   58.335   4.6916   53.211   5.1844 5.123882 6.992039 
1 1 1   16   14   28 o   20.945   1.8544   52.529   9.0769   62.400   12.818   42.600   12.855   22.740   2.4245   18.608   3.0299 4.131636 3.880549 
1 1 1   16   14   29 o   36.026   2.5061  156.041   21.187  185.300   29.891  126.500   30.035   39.037   3.2729   31.932   4.0762 7.104910 5.227544 
1 1 1   16   14   30 f   34.217   2.3633  140.809   18.979  148.600   26.740  132.900   26.940   34.866   3.2866   32.872   3.5258 1.994186 4.820069 
1 1 1   16   14   31 o   46.015   2.9407  256.987   31.786  275.800   44.791  237.900   45.116   47.105   4.0667   43.510   4.4539 3.594986 6.031167 
1 1 1   16   14   32 o   42.072   2.7361  214.675   27.034  245.100   38.185  184.100   38.279   44.512   3.6655   38.198   4.3198 6.314693 5.665414 
1 1 1   16   14   33 o   11.899   1.6036   17.159   4.3912   23.300   6.2844   11.300   6.1384   13.821   1.9823   9.5258   2.6384 4.295630 3.300074 
1 1 1   16   14   34 o   36.864   2.5282  164.833   21.875  181.400   30.814  148.000   31.060   38.256   3.4481   34.297   3.9047 3.958740 5.209202 
1 1 1   16   14   35 o   42.066   2.7620  215.819   27.283  226.600   38.376  204.800   38.796   42.473   3.8688   40.185   4.1482 2.288090 5.672312 
1 1 1   16   14   36 o   34.276   2.3279  142.336   18.730  146.300   26.536  138.400   26.441   34.313   3.3164   33.319   3.4086 0.9931984 4.755730 
1 1 1   16   14   37 f   51.295   3.1307  324.963   37.739  337.500   53.449  312.500   53.293   51.138   4.4712   49.019   4.6601 2.118488 6.458220 
1 1 1   16   14   38 o   35.096   2.3839  150.199   19.640  148.500   27.763  151.900   27.786   34.297   3.4761   34.717   3.4345 -0.4198685 4.886590 
1 1 1   16   14   39 f   25.828   2.9303   83.500   17.555   83.500   17.555   0.0000   0.0000   25.828   2.9303  ?   ?  0.000000 2.930259 
1 1 1   16   14   40 o   23.911   2.8544   71.800   15.798   71.800   15.798   0.0000   0.0000   23.911   2.8544  ?   ?  0.000000 2.854427 
1 1 1   16   14   41 o   20.977   2.7371   55.500   13.235   55.500   13.235   0.0000   0.0000   20.977   2.7371  ?   ?  0.000000 2.737135 
1 1 1   16   14   42 o   10.807   2.6792   15.100   6.8029   15.100   6.8029   0.0000   0.0000   10.807   2.6792  ?   ?  0.000000 2.679198 
1 1 1   16   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   14   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15    0 o   72.634   5.9283  638.500  100.122  638.500  100.122  638.500  100.122   72.634   5.9283   72.634   5.9283 0.000000 0.000000 
1 1 1   16   15    1 o  109.745   5.8753  1441.01  151.704  1672.50  214.608  1209.80  214.477  117.695   7.7656   99.543   9.2294 18.15208 12.06178 
1 1 1   16   15    2 o   51.307   3.0518  312.791   36.807  311.600   51.863  314.000   52.245   51.042   4.3443   51.237   4.3596 -0.1952972 6.154536 
1 1 1   16   15    3 o  104.340   5.7103  1302.36  140.160  1314.80  198.143  1289.90  198.288  104.152   8.1207  103.125   8.2107 1.026848 11.54824 
1 1 1   16   15    4 o  138.572   7.4934  2314.73  244.284  2614.10  345.512  2015.50  345.429  146.100   10.077  127.447   11.605 18.65352 15.36941 
1 1 1   16   15    5 o  134.217   7.2930  2170.83  230.273  2157.60  325.474  2184.10  325.836  132.390   10.497  133.234   10.440 -0.8435211 14.80513 
1 1 1   16   15    6 o   99.956   5.3642  1194.76  126.149  1398.60  178.486  991.300  178.318  107.690   7.0579   90.142   8.4769 17.54777 11.03048 
1 1 1   16   15    7 o   92.990   5.0796  1033.49  111.116  1164.40  157.176  902.700  157.109   98.258   6.8163   86.161   7.8067 12.09715 10.36370 
1 1 1   16   15    8 o  152.422   8.3573  2823.47  299.651  2915.40  423.605  2731.40  423.937  152.742   11.837  147.510   12.282 5.231735 17.05802 
1 1 1   16   15    9 f  115.099   6.0943  1591.74  165.047  1803.20  233.584  1380.90  233.239  121.704   8.1753  105.898   9.4258 15.80669 12.47720 
1 1 1   16   15   10 o  100.302   5.2240  1204.92  123.301  1451.90  174.544  958.900  174.204  109.616   6.7765   88.405   8.4477 21.21062 10.82977 
1 1 1   16   15   11 f   55.843   3.2513  371.235   42.688  361.800   60.164  380.800   60.580   54.883   4.6873   56.334   4.5940 -1.451157 6.563223 
1 1 1   16   15   12 o   24.177   1.9713   69.605   11.156   81.600   15.741   57.500   15.814   26.119   2.5862   21.790   3.1660 4.329103 4.088065 
1 1 1   16   15   13 o  179.711   9.9532  4029.15  420.727  4488.10  595.098  3570.50  594.898  185.373   13.692  162.899   15.658 22.47365 20.80029 
1 1 1   16   15   14 o   59.449   3.3422  421.321   46.727  486.400   66.147  356.500   66.016   63.669   4.4273   54.278   5.2149 9.390984 6.840756 
1 1 1   16   15   15 o   79.535   4.4715  758.819   83.639  825.500  118.267  692.100  118.300   82.414   6.1208   75.195   6.7338 7.219269 9.099914 
1 1 1   16   15   16 o   91.591   4.8902  1009.66  105.381  1190.30  149.172  829.700  148.892   98.803   6.4287   81.788   7.8040 17.01503 10.11094 
1 1 1   16   15   17 o  160.026   9.0501  3219.35  340.582  3369.80  481.567  3068.80  481.745  158.811   12.954  150.497   13.706 8.313568 18.85926 
1 1 1   16   15   18 o   24.274   1.8822   70.188   10.704   83.000   15.175   57.500   15.102   26.333   2.4693   21.784   3.0168 4.549473 3.898519 
1 1 1   16   15   19 o   91.708   4.9259  1017.68  106.282  1345.10  150.389  691.000  150.221  104.810   6.1029   73.521   8.8294 31.28900 10.73326 
1 1 1   16   15   20 o  101.225   5.8153  1252.97  138.417  1479.60  195.637  1025.80  195.867  108.673   7.6730   89.073   9.4568 19.59960 12.17812 
1 1 1   16   15   21 o   17.120   1.7902   35.095   7.1302   45.700   10.039   24.300   10.129   19.500   2.2198   14.003   3.1405 5.497010 3.845765 
1 1 1   16   15   22 o   30.945   2.2077  114.242   16.026  129.000   22.632   99.400   22.697   32.767   2.9569   28.634   3.4247 4.132524 4.524644 
1 1 1   16   15   23 o   35.484   2.4107  150.367   20.080  194.800   28.376  105.800   28.418   40.295   3.0038   29.345   4.2228 10.95041 5.182108 
1 1 1   16   15   24 o   22.485   1.9007   60.387   9.9974   71.600   14.115   49.100   14.162   24.407   2.4837   20.047   3.0910 4.360727 3.965236 
1 1 1   16   15   25 o   66.590   3.8823  536.310   60.783  620.500   85.929  452.000   85.990   71.014   5.1596   60.036   6.1525 10.97754 8.029609 
1 1 1   16   15   26 o   13.717   1.6947   22.646   5.3725   19.400   7.6527   25.800   7.5441   12.517   2.6704   14.557   2.2687 -2.039018 3.504041 
1 1 1   16   15   27 o   38.551   2.4159  177.957   21.882  202.800   31.003  153.300   30.888   40.948   3.2327   35.413   3.7508 5.535015 4.951674 
1 1 1   16   15   28 o   11.323   1.6834   15.550   4.3640   17.800   6.1716   13.300   6.1716   12.026   2.2561   10.343   2.5443 1.682732 3.400523 
1 1 1   16   15   29 o   70.988   4.2489  621.849   70.897  723.100  100.165  520.200  100.362   75.327   5.6729   62.760   6.8852 12.56715 8.921191 
1 1 1   16   15   30 o   46.401   2.9265  260.972   31.901  308.800   45.081  213.000   45.149   50.033   3.8451   41.035   4.7470 8.998322 6.108926 
1 1 1   16   15   31 o   54.653   3.3600  365.543   43.153  389.200   60.908  341.700   61.148   55.494   4.6920   51.691   5.0750 3.802528 6.911596 
1 1 1   16   15   32 o   5.5477   1.6694   3.6972   2.3655   5.7000   3.2364   1.4000   3.4661   6.8173   1.9256   4.9097   1.9671 1.907559 2.752721 
1 1 1   16   15   33 o   18.893   1.8675   43.051   8.2222   49.700   11.501   36.100   11.759   20.165   2.4667   16.981   3.0446 3.184361 3.918432 
1 1 1   16   15   34 o   41.171   2.6648  206.070   25.768  209.600   36.340  202.500   36.544   40.924   3.8040   40.161   3.9028 0.7632942 5.450002 
1 1 1   16   15   35 o   18.286   1.7848   40.325   7.6083   43.300   10.716   37.300   10.804   18.781   2.4766   17.337   2.7293 1.443886 3.685495 
1 1 1   16   15   36 o   11.311   1.7006   15.609   4.4014   20.900   6.2799   10.500   6.1706   13.030   2.1135   9.1994   2.6782 3.830359 3.411680 
1 1 1   16   15   37 o   35.335   2.4179  152.028   20.053  157.900   28.293  146.100   28.427   35.491   3.4182   34.026   3.5923 1.464649 4.958690 
1 1 1   16   15   38 o   15.889   1.7053   30.589   6.2982   32.000   8.9433   29.200   8.8712   16.053   2.4358   15.286   2.5474 0.7669239 3.524521 
1 1 1   16   15   39 o   6.6125   2.1817   5.1000   3.9548   5.1000   3.9548   0.0000   0.0000   6.6125   2.1817  ?   ?  0.000000 2.181690 
1 1 1   16   15   40 o   29.243   3.1725  108.800   21.556  108.800   21.556   0.0000   0.0000   29.243   3.1725  ?   ?  0.000000 3.172545 
1 1 1   16   15   41 f   19.033   2.6875   45.800   11.743   45.800   11.743   0.0000   0.0000   19.033   2.6875  ?   ?  0.000000 2.687546 
1 1 1   16   15   42 o   20.804   2.8290   55.100   13.537   55.100   13.537   0.0000   0.0000   20.804   2.8290  ?   ?  0.000000 2.829016 
1 1 1   16   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   15   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16    0 o   83.280   6.7139  840.900  130.057  840.900  130.057  840.900  130.057   83.280   6.7139   83.280   6.7139 0.000000 0.000000 
1 1 1   16   16    1 o   93.192   5.1204  1037.73  112.246  1097.60  158.762  977.900  158.719   95.338   7.1031   89.826   7.5529 5.511253 10.36820 
1 1 1   16   16    2 f  144.557   7.7827  2526.34  264.684  2694.10  374.556  2359.00  374.085  147.717   10.813  137.718   11.612 9.998947 15.86671 
1 1 1   16   16    3 o   49.742   2.9939  294.113   35.002  331.600   49.492  256.600   49.509   52.696   4.0075   46.222   4.5970 6.473248 6.098510 
1 1 1   16   16    4 o  177.429   9.7540  3855.82  407.098  4103.00  575.644  3608.50  575.802  180.008   13.644  167.882   14.672 12.12657 20.03568 
1 1 1   16   16    5 o   40.530   2.5657  195.201   24.429  195.800   34.527  194.600   34.569   40.460   3.6532   40.333   3.6698 0.1271477 5.178183 
1 1 1   16   16    6 o  126.953   6.9388  1943.68  207.224  2030.30  293.015  1857.00  293.103  128.481   9.7302  122.595   10.218 5.886269 14.10964 
1 1 1   16   16    7 o   64.247   3.6860  491.616   55.686  506.000   78.708  477.200   78.797   64.913   5.1779   62.992   5.3479 1.921654 7.443846 
1 1 1   16   16    8 o   59.843   3.4011  426.262   47.862  510.500   67.722  342.200   67.652   65.338   4.4153   53.230   5.4595 12.10842 7.021456 
1 1 1   16   16    9 o  113.108   6.2530  1541.79  166.363  1626.70  235.156  1456.70  235.390  115.110   8.7159  108.625   9.2655 6.484558 12.72069 
1 1 1   16   16   10 f   78.289   4.3714  732.538   80.491  844.300  113.838  620.800  113.825   83.697   5.7956   71.407   6.8340 12.28981 8.960576 
1 1 1   16   16   11 o   77.026   4.3165  709.443   78.194  700.200  110.540  718.700  110.627   76.011   6.2129   77.040   6.1319 -1.028885 8.729251 
1 1 1   16   16   12 o  141.934   7.4638  2458.74  249.277  2970.80  352.759  1948.00  352.302  154.331   9.7296  122.888   12.306 31.44251 15.68771 
1 1 1   16   16   13 o   72.516   4.1021  629.108   69.955  640.600   98.898  617.600   98.965   72.706   5.8089   71.343   5.9281 1.362770 8.299795 
1 1 1   16   16   14 o   66.105   3.7744  522.395   58.673  567.000   82.980  477.800   82.971   68.518   5.1667   62.720   5.6633 5.797871 7.665978 
1 1 1   16   16   15 o   71.070   3.9857  604.796   66.619  674.300   94.250  535.400   94.176   74.638   5.3837   66.230   6.0900 8.408089 8.128465 
1 1 1   16   16   16 o   60.264   3.3324  433.698   47.238  519.500   66.883  348.300   66.725   65.729   4.3335   53.486   5.3551 12.24343 6.888838 
1 1 1   16   16   17 o   57.685   3.3481  397.824   45.410  461.500   64.232  334.200   64.206   61.869   4.4259   52.359   5.2643 9.509491 6.877600 
1 1 1   16   16   18 o   26.392   2.0140   83.015   12.457   95.900   17.606   70.100   17.626   28.286   2.6674   24.053   3.1814 4.232521 4.151628 
1 1 1   16   16   19 o   55.715   3.3473  371.696   43.833  406.800   61.905  336.400   62.075   57.958   4.5600   52.514   5.0689 5.444668 6.818163 
1 1 1   16   16   20 o   38.896   2.5751  180.596   23.517  201.800   33.184  159.200   33.334   40.953   3.4640   36.228   3.9611 4.724869 5.262030 
1 1 1   16   16   21 o   20.014   1.7883   47.834   8.3629   69.400   11.831   26.300   11.823   24.097   2.1003   14.542   3.4878 9.554069 4.071327 
1 1 1   16   16   22 o   61.164   3.5798  449.732   51.478  560.400   72.790  339.000   72.811   67.934   4.5641   52.196   6.0177 15.73841 7.552702 
1 1 1   16   16   23 o   6.2435   1.6654   4.7789   2.5006   5.5000   3.4702   4.0000   3.6065   6.7704   2.0185   6.0786   2.0842 0.6918106 2.901413 
1 1 1   16   16   24 o   58.710   3.2905  414.156   45.433  502.900   64.323  325.800   64.182   64.349   4.2572   51.288   5.3796 13.06097 6.860302 
1 1 1   16   16   25 o   26.289   1.9611   82.510   12.086   97.800   17.115   67.300   17.071   28.530   2.5680   23.501   3.1558 5.028065 4.068650 
1 1 1   16   16   26 o   19.436   1.7789   45.205   8.0737   53.400   11.414   37.000   11.422   21.046   2.3363   17.360   2.8876 3.685522 3.714367 
1 1 1   16   16   27 o   36.994   2.3263  163.878   20.218  197.800   28.644  130.200   28.541   40.472   3.0190   32.564   3.7821 7.907867 4.839255 
1 1 1   16   16   28 f   45.342   2.7756  247.715   29.575  263.800   41.870  231.700   41.780   46.371   3.8588   43.318   4.1346 3.052883 5.655607 
1 1 1   16   16   29 o   29.479   3.0699  106.100   21.056  106.100   21.056   0.0000   0.0000   29.479   3.0699  ?   ?  0.000000 3.069920 
1 1 1   16   16   30 o   16.058   1.8081   31.101   6.7369   34.600   9.3367   27.300   9.7302   16.819   2.4207   14.795   2.8888 2.023590 3.768917 
1 1 1   16   16   31 o   32.433   2.2912  126.802   17.434  140.300   24.608  113.200   24.703   33.838   3.1146   30.208   3.5297 3.630796 4.707410 
1 1 1   16   16   32 o   28.888   2.1712  100.625   14.703  116.400   20.743   84.700   20.842   30.849   2.8809   26.062   3.4732 4.787619 4.512479 
1 1 1   16   16   33 o   30.600   2.2610  113.128   16.222  133.100   22.868   92.900   23.014   32.945   2.9715   27.200   3.6775 5.745529 4.727995 
1 1 1   16   16   34 o   10.238   1.7760   12.870   4.1381   19.300   5.7783   6.1000   5.9289   12.539   2.0201   7.5487   2.6668 4.990511 3.345567 
1 1 1   16   16   35 o   23.810   1.9605   68.386   10.925   75.400   15.411   61.300   15.489   24.792   2.6748   22.204   3.0336 2.587660 4.044407 
1 1 1   16   16   36 o   10.758   1.7820   14.202   4.3686   18.200   6.1384   10.100   6.2185   12.108   2.2292   9.0447   2.7033 3.062866 3.503855 
1 1 1   16   16   37 f   25.953   2.1150   81.769   12.849   99.100   18.084   64.100   18.259   28.340   2.7364   22.385   3.5746 5.954779 4.501719 
1 1 1   16   16   38 o   16.866   1.7833   34.537   6.9948   38.600   9.8476   30.400   9.9373   17.648   2.4274   15.497   2.8194 2.150580 3.720385 
1 1 1   16   16   39 o   22.491   2.8020   63.400   14.558   63.400   14.558   0.0000   0.0000   22.491   2.8020  ?   ?  0.000000 2.802024 
1 1 1   16   16   40 o   8.5278   2.3531   9.2000   4.8931   9.2000   4.8931   0.0000   0.0000   8.5278   2.3531  ?   ?  0.000000 2.353112 
1 1 1   16   16   41 o   33.645   3.5398  147.500   27.702  147.500   27.702   0.0000   0.0000   33.645   3.5398  ?   ?  0.000000 3.539811 
1 1 1   16   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   16   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17    0 o  163.344   12.988  3309.20  493.690  3309.20  493.690  3309.20  493.690  163.344   12.988  163.344   12.988 0.000000 0.000000 
1 1 1   16   17    1 o   93.307   5.0074  1040.81  109.927  1164.30  155.578  917.700  155.342   98.221   6.7488   86.869   7.6510 11.35169 10.20213 
1 1 1   16   17    2 o   25.334   1.9548   76.343   11.604   77.400   16.465   75.300   16.357   25.414   2.7896   25.059   2.8127 0.3544197 3.961460 
1 1 1   16   17    3 o  100.935   5.6681  1221.98  134.549  1303.80  189.959  1139.60  190.604  103.551   7.8264   96.541   8.4459 7.010056 11.51461 
1 1 1   16   17    4 o   60.535   3.5006  436.257   49.825  433.300   70.548  439.200   70.379   60.067   5.0198   60.487   4.9714 -0.4200668 7.064918 
1 1 1   16   17    5 o   92.181   4.9389  1016.42  107.116  1145.70  151.646  887.700  151.323   97.391   6.6335   85.364   7.5861 12.02717 10.07732 
1 1 1   16   17    6 o   77.677   4.3268  720.425   79.049  778.300  111.816  662.600  111.768   80.361   5.9344   73.970   6.4637 6.391441 8.774817 
1 1 1   16   17    7 o   67.518   3.8375  543.601   60.931  554.800   86.165  532.400   86.173   67.884   5.4205   66.462   5.5414 1.421768 7.751693 
1 1 1   16   17    8 o  107.228   5.8883  1384.20  148.522  1384.90  209.926  1383.50  210.157  106.190   8.4415  106.128   8.4561 0.6122589E-01 11.94844 
1 1 1   16   17    9 o   81.339   4.4695  791.463   85.516  739.600  120.836  843.500  121.040   78.011   6.6222   83.491   6.1834 -5.480644 9.060245 
1 1 1   16   17   10 o   48.220   2.9365  276.826   33.278  288.400   47.009  265.200   47.114   49.033   4.0976   46.968   4.2956 2.065109 5.936548 
1 1 1   16   17   11 o   47.690   2.8937  270.806   32.433  290.000   45.860  251.600   45.874   49.177   3.9834   45.723   4.2994 3.454865 5.861102 
1 1 1   16   17   12 o   66.785   3.8147  533.057   59.909  583.600   84.718  482.500   84.730   69.539   5.1968   63.034   5.7560 6.505333 7.754875 
1 1 1   16   17   13 o   41.357   2.5986  203.646   25.249  200.100   35.686  207.200   35.729   40.811   3.7449   41.546   3.6800 -0.7355499 5.250346 
1 1 1   16   17   14 o   76.821   4.2544  707.790   76.876  681.600  108.390  734.300  109.050   74.733   6.1980   77.666   5.9924 -2.933289 8.621133 
1 1 1   16   17   15 o   74.996   4.1572  674.862   73.332  823.000  103.756  527.000  103.659   82.422   5.3601   65.337   6.8192 17.08542 8.673696 
1 1 1   16   17   16 o   53.554   3.1812  342.662   40.049  355.100   56.610  330.200   56.665   54.218   4.4613   52.220   4.6438 1.997890 6.439504 
1 1 1   16   17   17 o   31.377   2.1799  117.293   16.051  122.900   22.714  111.700   22.685   31.989   3.0436   30.455   3.2025 1.534571 4.418092 
1 1 1   16   17   18 o   61.875   3.6092  459.088   52.505  516.300   74.229  401.800   74.278   65.236   4.8534   57.258   5.5640 7.978859 7.383276 
1 1 1   16   17   19 o   38.318   2.5634  175.263   23.060  205.600   32.551  144.700   32.673   41.364   3.3617   34.490   4.0915 6.873528 5.295412 
1 1 1   16   17   20 o   47.299   2.9974  267.722   33.305  319.600   47.022  215.500   47.178   51.470   3.8979   41.937   4.8538 9.532269 6.225149 
1 1 1   16   17   21 o   66.503   3.8590  532.750   60.340  565.100   85.268  500.300   85.399   67.885   5.3630   63.677   5.7412 4.207355 7.856389 
1 1 1   16   17   22 o   30.432   2.1361  110.477   15.253  125.400   21.624   95.700   21.518   32.306   2.8642   28.099   3.3062 4.207542 4.374368 
1 1 1   16   17   23 o   30.078   2.0779  107.922   14.668  133.900   20.775   82.100   20.712   33.419   2.6544   25.947   3.4673 7.472486 4.366676 
1 1 1   16   17   24 o   4.8630   1.5239   2.7690   1.9463   4.0000   2.9327   1.8000   2.6020   5.8723   1.8744   4.6122   1.7441 1.260007 2.560284 
1 1 1   16   17   25 o   10.861   1.6431   14.299   4.0825   14.000   5.7668   14.600   5.7802   10.637   2.3578   10.870   2.3224 -0.2330112 3.309524 
1 1 1   16   17   26 f   9.2132   1.6066   10.359   3.3682   15.800   4.8045   5.1000   4.7233   11.389   1.8499   6.8850   2.3838 4.504101 3.017408 
1 1 1   16   17   27 o   2.4768   1.0527  -0.0018   1.0748  -6.4000   1.7909   3.6000   1.3437   1.7261   0.8744   5.4190   1.0879 -3.692882 1.395755 
1 1 1   16   17   28 o   60.642   3.4685  448.049   49.462  514.000   70.030  382.400   69.870   64.193   4.6515   54.760   5.4768 9.432465 7.185524 
1 1 1   16   17   29 o   61.647   3.3706  463.666   48.880  550.700   69.281  377.400   68.974   66.428   4.4424   54.192   5.4647 12.23577 7.042527 
1 1 1   16   17   30 o   28.903   2.1485  100.501   14.559  105.400   20.484   95.500   20.695   29.352   2.9975   27.856   3.2046 1.496111 4.388030 
1 1 1   16   17   31 o   20.443   1.9327   50.364   9.2192   58.800   12.879   41.500   13.202   21.955   2.5306   18.212   3.1861 3.743153 4.068807 
1 1 1   16   17   32 o   12.168   1.7199   17.998   4.8042   22.100   6.7554   13.800   6.8335   13.401   2.2119   10.485   2.7324 2.916194 3.515426 
1 1 1   16   17   33 o   24.244   2.0240   70.883   11.481   82.100   16.142   59.400   16.333   25.911   2.6768   21.801   3.2738 4.109837 4.228826 
1 1 1   16   17   34 o   39.231   2.7136  187.569   24.984  237.900   35.239  136.700   35.427   43.808   3.4341   32.408   4.7722 11.39956 5.879354 
1 1 1   16   17   35 o   13.506   1.7298   22.136   5.3898   19.900   7.4433   24.600   7.8150   12.598   2.5887   14.080   2.4388 -1.482231 3.556574 
1 1 1   16   17   36 o   31.055   2.3171  117.232   16.869  136.100   23.743   98.000   23.972   33.128   3.0701   27.734   3.7570 5.393513 4.851917 
1 1 1   16   17   37 o   24.680   2.0078   73.851   11.599   76.500   16.253   71.100   16.560   24.814   2.8241   23.832   3.0097 0.9810867 4.127189 
1 1 1   16   17   38 o   30.911   2.2215  116.565   16.107  114.800   22.563  118.400   23.000   30.154   3.2185   30.621   3.2296 -0.4665184 4.559494 
1 1 1   16   17   39 o   22.800   2.8204   65.400   14.861   65.400   14.861   0.0000   0.0000   22.800   2.8204  ?   ?  0.000000 2.820427 
1 1 1   16   17   40 o   20.622   2.8185   53.900   13.365   53.900   13.365   0.0000   0.0000   20.622   2.8185  ?   ?  0.000000 2.818457 
1 1 1   16   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   17   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18    0 o   96.846   7.7447  1142.80  174.507  1142.80  174.507  1142.80  174.507   96.846   7.7447   96.846   7.7447 0.000000 0.000000 
1 1 1   16   18    1 o   56.502   3.2236  379.895   42.832  349.600   60.469  410.400   60.678   53.932   4.7982   58.540   4.4221 -4.607880 6.525177 
1 1 1   16   18    2 o   29.978   2.1387  106.858   15.040  102.800   21.292  110.900   21.247   29.278   3.1281   30.441   2.9946 -1.162823 4.330408 
1 1 1   16   18    3 o   34.046   2.2902  137.799   18.305  136.400   25.876  139.200   25.899   33.748   3.2888   34.101   3.2558 -0.3525467 4.627820 
1 1 1   16   18    4 o  155.228   8.4772  2948.30  309.554  3133.80  437.948  2763.10  437.602  157.458   11.866  147.087   12.725 10.37085 17.39869 
1 1 1   16   18    5 o   93.806   5.1838  1055.50  114.381  1060.20  161.780  1050.80  161.738   93.264   7.4070   92.834   7.4406 0.4302139 10.49883 
1 1 1   16   18    6 f  135.928   7.4073  2247.73  236.860  2392.30  335.109  2103.40  334.833  138.355   10.332  129.154   11.086 9.201630 15.15430 
1 1 1   16   18    7 o   44.622   2.7223  236.872   28.547  270.700   40.389  203.100   40.355   47.584   3.6216   41.074   4.2208 6.510548 5.561579 
1 1 1   16   18    8 o   41.973   2.6241  209.594   25.878  205.600   36.569  213.600   36.624   41.399   3.7826   42.215   3.7116 -0.8163834 5.299448 
1 1 1   16   18    9 o   44.202   2.6224  232.405   27.249  207.300   38.426  257.800   38.648   41.530   3.9665   46.426   3.5523 -4.896404 5.324647 
1 1 1   16   18   10 o   18.006   1.7414   38.708   7.3117   39.600   10.294   37.800   10.387   18.115   2.4710   17.676   2.5634 0.4388103 3.560425 
1 1 1   16   18   11 o   82.419   4.5139  814.975   87.516  918.500  123.841  711.700  123.692   86.970   6.0683   76.165   6.9541 10.80468 9.229484 
1 1 1   16   18   12 o   25.691   1.9578   78.581   11.787   70.800   16.650   86.400   16.690   24.237   2.9715   26.856   2.6671 -2.619150 3.992881 
1 1 1   16   18   13 f   17.447   1.7482   36.379   7.1053   45.100   10.032   27.600   10.065   19.382   2.2327   14.985   2.9494 4.397115 3.699165 
1 1 1   16   18   14 o   21.289   1.8155   54.037   9.0394   65.900   12.791   42.200   12.776   23.460   2.3402   18.608   3.0105 4.852118 3.813107 
1 1 1   16   18   15 o   34.263   2.3045  139.852   18.537  145.600   26.210  134.100   26.220   34.818   3.2244   33.375   3.3733 1.443150 4.666531 
1 1 1   16   18   16 o   37.847   2.4772  170.775   22.016  176.100   31.065  165.400   31.208   38.260   3.4764   37.041   3.6140 1.218655 5.014589 
1 1 1   16   18   17 o   22.071   1.8134   58.079   9.3675   51.400   13.179   64.900   13.318   20.608   2.7791   23.250   2.4632 -2.642860 3.713578 
1 1 1   16   18   18 o   55.667   3.3364  371.226   43.655  412.200   61.680  330.100   61.794   58.331   4.5131   51.974   5.1008 6.357231 6.810733 
1 1 1   16   18   19 o   21.141   1.8324   53.354   9.0572   54.000   12.770   52.700   12.848   21.153   2.6120   20.883   2.6664 0.2699337 3.732632 
1 1 1   16   18   20 o   26.807   2.0722   85.762   13.016  111.500   18.385   59.900   18.429   30.510   2.5759   22.077   3.6636 8.433399 4.478573 
1 1 1   16   18   21 o   31.342   2.2469  117.271   16.519  132.800   23.309  101.600   23.415   33.228   3.0032   28.922   3.4996 4.305386 4.611561 
1 1 1   16   18   22 o   15.935   1.7321   30.446   6.4123   36.600   9.0347   24.200   9.1024   17.408   2.2506   13.995   2.8511 3.412517 3.632361 
1 1 1   16   18   23 o   51.074   3.1099  313.300   37.328  392.400   52.773  234.100   52.807   56.898   3.9524   43.411   5.2588 13.48725 6.578441 
1 1 1   16   18   24 o   33.926   2.2779  137.582   18.143  158.800   25.668  116.400   25.647   36.299   3.0220   30.901   3.5812 5.398760 4.685895 
1 1 1   16   18   25 o   20.509   1.7711   50.304   8.4932   62.300   12.035   38.400   11.988   22.757   2.2698   17.664   2.9801 5.092638 3.746048 
1 1 1   16   18   26 o   14.050   1.5965   23.724   5.2028   33.700   7.4054   14.000   7.3113   16.727   1.9090   10.622   2.8540 6.105550 3.433598 
1 1 1   16   18   27 o   43.070   2.6520  223.332   26.841  254.900   37.999  191.900   37.918   45.685   3.5503   39.360   4.1418 6.324787 5.455172 
1 1 1   16   18   28 o   33.249   2.2452  132.808   17.525  155.000   24.807  110.700   24.760   35.712   2.9687   29.938   3.5731 5.773993 4.645401 
1 1 1   16   18   29 o   39.426   2.4283  187.256   22.497  230.500   31.869  144.300   31.763   43.485   3.1245   33.980   4.0376 9.504925 5.105320 
1 1 1   16   18   30 o   17.564   1.8309   37.193   7.4821   44.500   10.481   29.600   10.684   19.107   2.3741   15.359   3.0534 3.747867 3.867801 
1 1 1   16   18   31 o   19.302   1.8484   44.887   8.3219   52.100   11.700   37.500   11.840   20.665   2.4450   17.334   3.0011 3.330101 3.871014 
1 1 1   16   18   32 o   18.982   1.8230   43.418   8.0710   44.100   11.270   42.700   11.564   18.944   2.5869   18.600   2.7128 0.3437500 3.748548 
1 1 1   16   18   33 o   14.338   1.7231   24.877   5.7169   24.400   7.9050   25.400   8.2776   14.024   2.4778   14.298   2.5450 -0.2744637 3.551942 
1 1 1   16   18   34 o   7.7237   1.8166   7.4163   3.2578   7.7000   4.4871   7.1000   4.7374   7.9058   2.2787   7.6736   2.3731 0.2322569 3.290000 
1 1 1   16   18   35 f   11.783   1.8158   16.991   4.8898   19.600   6.6911   14.000   7.1635   12.548   2.3443   10.530   2.8232 2.018509 3.669657 
1 1 1   16   18   36 o   26.034   2.9460   84.300   17.792   84.300   17.792   0.0000   0.0000   26.034   2.9460  ?   ?  0.000000 2.946048 
1 1 1   16   18   37 o   15.582   1.7366   29.480   6.2808   31.000   8.7975   27.900   8.9698   15.782   2.4393   14.890   2.6481 0.8922596 3.600373 
1 1 1   16   18   38 o   18.120   1.8183   39.909   7.6751   40.200   10.691   39.600   11.025   17.927   2.6014   17.747   2.7175 0.1806221 3.761924 
1 1 1   16   18   39 o   42.475   4.2761  241.200   42.305  241.200   42.305   0.0000   0.0000   42.475   4.2761  ?   ?  0.000000 4.276127 
1 1 1   16   18   40 o   11.237   2.6979   16.300   7.0683   16.300   7.0683   0.0000   0.0000   11.237   2.6979  ?   ?  0.000000 2.697877 
1 1 1   16   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   18   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19    0 o  161.062   12.932  3248.20  484.555  3248.20  484.555  3248.20  484.555  161.062   12.932  161.062   12.932 0.000000 0.000000 
1 1 1   16   19    1 o   62.133   3.6413  460.424   53.190  477.200   74.948  443.400   75.500   62.964   5.0843   60.621   5.3284 2.342972 7.364912 
1 1 1   16   19    2 o   63.020   3.6191  473.602   53.632  467.200   75.857  480.000   75.836   62.263   5.2073   63.134   5.1313 -0.8709946 7.310658 
1 1 1   16   19    3 o   32.661   2.0902  126.748   16.036  154.200   22.784   99.800   22.574   35.970   2.7022   28.793   3.3848 7.176912 4.331080 
1 1 1   16   19    4 o   78.394   4.1691  734.349   76.899  874.500  108.927  595.100  108.577   85.225   5.4410   69.877   6.6609 15.34850 8.600687 
1 1 1   16   19    5 o   82.019   4.5559  805.707   87.889  850.300  124.353  761.200  124.233   83.721   6.3371   79.055   6.7186 4.665352 9.235772 
1 1 1   16   19    6 o   36.571   2.3948  159.093   20.566  161.200   29.135  157.000   29.036   36.676   3.4029   36.184   3.4396 0.4912567 4.838454 
1 1 1   16   19    7 f  124.117   6.7744  1873.22  197.798  1756.10  279.573  1990.60  279.884  118.080   10.125  126.255   9.4566 -8.175064 13.85407 
1 1 1   16   19    8 o   73.148   4.1230  640.336   70.925  657.600  100.343  623.100  100.263   73.648   5.8172   71.624   5.9829 2.023712 8.344800 
1 1 1   16   19    9 o   43.130   2.7050  221.525   27.410  229.600   38.705  213.400   38.822   43.736   3.7850   42.122   3.9492 1.614239 5.470141 
1 1 1   16   19   10 o   67.920   3.8733  551.905   61.864  602.100   87.485  501.700   87.494   70.561   5.2890   64.207   5.8345 6.354652 7.874963 
1 1 1   16   19   11 o   35.347   2.3290  148.720   19.331  139.000   27.296  158.500   27.380   33.998   3.4477   36.366   3.2218 -2.367851 4.718779 
1 1 1   16   19   12 o   97.438   5.2800  1147.80  121.033  1333.20  171.258  962.800  171.075  104.132   7.0055   87.670   8.3652 16.46155 10.91116 
1 1 1   16   19   13 o   62.791   3.6071  471.931   53.258  459.100   75.263  484.800   75.374   61.469   5.2351   63.225   5.0918 -1.755974 7.302883 
1 1 1   16   19   14 o   45.901   2.8272  251.416   30.495  265.400   43.101  237.400   43.151   46.941   3.9244   44.320   4.1723 2.621311 5.727895 
1 1 1   16   19   15 o   42.896   2.6739  219.496   26.950  217.500   38.076  221.500   38.151   42.471   3.8380   42.870   3.8083 -0.3985825 5.406838 
1 1 1   16   19   16 o   16.290   1.7131   31.763   6.4909   32.700   9.1181   30.800   9.2421   16.423   2.4241   15.907   2.5463 0.5152178 3.515712 
1 1 1   16   19   17 o   28.833   3.0151  100.100   20.224  100.100   20.224   0.0000   0.0000   28.833   3.0151  ?   ?  0.000000 3.015072 
1 1 1   16   19   18 o   58.667   3.4723  412.967   47.889  429.500   67.589  396.300   67.862   59.387   4.8624   56.943   5.1009 2.443954 7.047154 
1 1 1   16   19   19 o   39.654   2.5111  187.706   23.391  182.100   32.953  193.400   33.210   38.821   3.6371   40.038   3.5493 -1.217304 5.081964 
1 1 1   16   19   20 o   19.355   1.8042   44.783   8.1511   48.300   11.474   41.200   11.582   20.003   2.4825   18.401   2.7498 1.601963 3.704654 
1 1 1   16   19   21 o   61.589   3.6335  456.921   52.608  532.200   74.364  381.500   74.435   66.011   4.8037   55.412   5.7734 10.59836 7.510512 
1 1 1   16   19   22 o   40.858   2.6792  199.895   25.706  245.400   36.316  154.200   36.392   45.096   3.4362   35.399   4.4521 9.697056 5.623950 
1 1 1   16   19   23 o   57.257   3.3820  395.057   45.523  483.900   64.377  306.200   64.382   62.986   4.3552   49.493   5.6078 13.49253 7.100340 
1 1 1   16   19   24 o   13.433   1.6170   21.707   5.0263   28.900   7.1298   14.600   7.0869   15.466   1.9990   10.843   2.7607 4.623411 3.408439 
1 1 1   16   19   25 o   7.7509   1.6324   7.3972   2.8933   10.600   4.1613   4.4000   4.0256   9.2678   1.9626   6.3819   2.2012 2.885901 2.949080 
1 1 1   16   19   26 o   54.831   2.9998  363.000   38.693  459.800   54.834  267.000   54.607   61.328   3.8052   46.016   5.1118 15.31200 6.372606 
1 1 1   16   19   27 o   53.094   3.2164  342.670   40.135  380.300   56.744  305.000   56.775   55.280   4.3829   49.117   4.9632 6.162899 6.621438 
1 1 1   16   19   28 o   14.842   1.6408   26.513   5.6544   31.700   8.0253   21.400   7.9681   16.145   2.1591   13.109   2.6649 3.036269 3.429772 
1 1 1   16   19   29 o   31.775   2.1104  121.315   15.745  152.700   22.315   90.200   22.218   35.485   2.6829   26.915   3.5850 8.569998 4.477761 
1 1 1   16   19   30 o   13.945   1.5549   23.420   5.0329   30.500   7.1854   16.600   7.0518   15.858   1.9606   11.505   2.6503 4.353086 3.296679 
1 1 1   16   19   31 o   16.958   1.7313   34.645   6.8357   31.600   9.5831   37.800   9.7533   15.977   2.6318   17.565   2.4154 -1.587877 3.572168 
1 1 1   16   19   32 f   8.5876   1.8648   9.1502   3.6732   15.300   5.0778   2.4000   5.3199   11.140   2.0040   6.1312   2.4436 5.009049 3.160265 
1 1 1   16   19   33 o   16.387   1.8425   32.498   7.0058   41.000   9.7971   23.600   10.022   18.314   2.3173   13.623   3.1743 4.690971 3.930158 
1 1 1   16   19   34 o   29.648   2.1056  106.122   14.645   96.900   20.571  115.600   20.855   27.933   3.1752   30.649   2.9168 -2.716097 4.311542 
1 1 1   16   19   35 o   23.108   1.9899   64.632   10.752   79.400   15.139   49.600   15.274   25.440   2.5546   19.745   3.3985 5.695204 4.251568 
1 1 1   16   19   36 o   17.559   1.8563   37.434   7.5800   45.200   10.598   29.300   10.846   19.151   2.3959   15.126   3.1395 4.025150 3.949270 
1 1 1   16   19   37 o   4.0636   1.5455   1.3947   2.0508  -0.5000   2.4443   5.9000   3.7691   3.5344   1.5448   6.9536   2.1106 -3.419176 2.615491 
1 1 1   16   19   38 o   22.057   1.9196   59.231   9.8983   64.700   14.022   53.800   13.975   22.757   2.6596   20.593   2.9587 2.163771 3.978372 
1 1 1   16   19   39 o   12.705   2.7739   20.800   8.0886   20.800   8.0886   0.0000   0.0000   12.705   2.7739  ?   ?  0.000000 2.773902 
1 1 1   16   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   19   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20    0 o   23.328   2.8415   67.200   15.033   67.200   15.033   67.200   15.033   23.328   2.8415   23.328   2.8415 0.000000 0.000000 
1 1 1   16   20    1 o  117.629   6.4471  1677.66  178.396  1598.40  252.218  1757.00  252.361  113.071   9.5353  118.897   9.0567 -5.826004 13.15086 
1 1 1   16   20    2 o   34.368   2.1691  140.394   17.513  121.900   24.414  160.000   25.137   31.864   3.2921   36.605   2.9328 -4.740257 4.408972 
1 1 1   16   20    3 o   39.302   2.5043  183.789   23.121  206.400   32.705  161.200   32.690   41.538   3.3632   36.594   3.8402 4.943386 5.104757 
1 1 1   16   20    4 o   32.504   2.0716  125.571   15.818  154.600   22.499   97.200   22.242   36.011   2.6648   28.397   3.3836 7.613731 4.306935 
1 1 1   16   20    5 o   58.138   3.3610  403.206   45.945  382.700   64.906  423.800   65.046   56.301   4.9318   59.330   4.6808 -3.029335 6.799487 
1 1 1   16   20    6 o   49.380   2.9549  290.528   34.297  320.900   48.521  260.200   48.485   51.718   4.0043   46.440   4.4768 5.277515 6.006295 
1 1 1   16   20    7 o  101.132   5.5473  1235.55  131.969  1328.40  186.731  1142.90  186.535  103.823   7.6709   95.909   8.3188 7.913742 11.31571 
1 1 1   16   20    8 o   33.809   2.2976  136.065   18.234  115.300   25.796  156.800   25.778   30.910   3.6017   36.202   3.0436 -5.292742 4.715523 
1 1 1   16   20    9 o  187.885   10.705  4520.72  472.995  4704.60  669.149  4337.10  668.682  183.993   15.547  175.281   16.344 8.712173 22.55737 
1 1 1   16   20   10 o   72.959   4.1135  638.433   70.579  721.600   99.824  555.300   99.804   77.113   5.5185   67.291   6.3563 9.822388 8.417627 
1 1 1   16   20   11 o   27.043   2.0349   87.115   12.899   96.700   18.228   77.500   18.256   28.402   2.7524   25.336   3.1173 3.066038 4.158461 
1 1 1   16   20   12 o   36.086   2.4001  155.172   20.335  163.500   28.719  146.800   28.796   36.893   3.3326   34.902   3.5431 1.991257 4.864127 
1 1 1   16   20   13 f   76.816   4.2933  710.144   77.564  776.900  109.739  643.500  109.646   79.715   5.8712   72.230   6.4981 7.485031 8.757681 
1 1 1   16   20   14 o   91.906   5.1471  1024.56  111.254  1060.10  157.310  989.000  157.364   92.287   7.2777   88.939   7.5648 3.348022 10.49717 
1 1 1   16   20   15 o   36.080   2.3863  155.207   20.216  161.100   28.573  149.300   28.605   36.594   3.3436   35.188   3.4886 1.406704 4.832183 
1 1 1   16   20   16 o   36.051   2.4165  155.045   20.452  165.700   28.864  144.300   28.985   37.109   3.3293   34.551   3.6057 2.557777 4.907670 
1 1 1   16   20   17 o   99.449   5.7951  1213.19  135.500  1365.70  191.352  1059.80  191.902  103.944   7.8540   90.489   9.1046 13.45536 12.02406 
1 1 1   16   20   18 o   22.412   1.8842   59.962   9.8796   66.500   13.959   53.400   13.985   23.510   2.5555   20.974   2.9013 2.536016 3.866323 
1 1 1   16   20   19 o   23.990   1.9039   68.668   10.697   66.100   15.035   71.300   15.222   23.395   2.7758   24.324   2.6954 -0.9295654 3.869133 
1 1 1   16   20   20 o   42.263   2.7130  213.726   26.932  229.000   37.995  198.300   38.182   43.502   3.7349   40.368   4.0606 3.134171 5.517066 
1 1 1   16   20   21 o   57.904   3.4606  403.782   47.101  452.300   66.555  355.100   66.668   60.820   4.6698   53.560   5.3425 7.259953 7.095743 
1 1 1   16   20   22 o   77.848   4.5273  739.729   82.866  783.500  117.018  695.700  117.363   78.919   6.3326   74.002   6.7920 4.916626 9.286174 
1 1 1   16   20   23 o   35.846   2.4148  153.893   20.321  172.700   28.706  135.000   28.771   37.774   3.2498   33.228   3.7313 4.546028 4.948095 
1 1 1   16   20   24 o   39.901   2.5384  191.033   23.793  208.300   33.665  173.800   33.632   41.391   3.4766   37.663   3.8351 3.728390 5.176337 
1 1 1   16   20   25 o   98.436   5.4984  1221.49  127.296  1397.40  180.235  1046.40  179.813  102.591   7.4917   86.805   8.8981 15.78668 11.63186 
1 1 1   16   20   26 o   45.785   2.7594  253.003   29.694  296.000   42.041  210.200   41.946   49.148   3.6485   41.026   4.3984 8.121765 5.714684 
1 1 1   16   20   27 o   43.231   2.6662  225.637   27.085  269.800   38.332  181.600   38.277   46.934   3.4835   38.070   4.3351 8.864174 5.561310 
1 1 1   16   20   28 o   34.119   2.2139  139.973   17.740  172.500   25.138  107.700   25.040   37.680   2.8463   29.423   3.6848 8.256899 4.656033 
1 1 1   16   20   29 o   30.748   2.1751  113.836   15.691  118.600   22.223  109.100   22.158   31.097   3.0662   29.764   3.2031 1.333626 4.434161 
1 1 1   16   20   30 o   18.878   1.7213   42.833   7.5885   52.200   10.770   33.600   10.693   20.740   2.2344   16.427   2.8606 4.312986 3.629870 
1 1 1   16   20   31 o   15.602   1.6437   29.324   5.9648   33.400   8.5167   25.400   8.3564   16.533   2.2391   14.300   2.5692 2.233091 3.407978 
1 1 1   16   20   32 o   14.222   1.7697   24.513   5.8148   29.200   8.1282   19.600   8.3220   15.419   2.3031   12.458   2.8856 2.960314 3.691963 
1 1 1   16   20   33 o   57.214   3.5681  406.777   47.966  440.000   67.655  373.200   68.016   58.184   4.9719   53.015   5.5137 5.169353 7.424349 
1 1 1   16   20   34 o   13.073   1.7237   20.777   5.1915   19.100   7.0205   22.800   7.7118   12.346   2.4940   13.513   2.5091 -1.167204 3.537739 
1 1 1   16   20   35 o   11.168   1.8565   15.350   4.7240   16.600   6.6808   14.100   6.6808   11.468   2.5345   10.547   2.6777 0.9213228 3.686957 
1 1 1   16   20   36 o   41.111   2.6879  208.199   25.950  208.100   36.541  208.300   36.858   40.205   3.8979   40.194   3.9338 0.1081848E-01 5.537868 
1 1 1   16   20   37 o   17.979   1.8088   39.291   7.5752   36.900   10.693   41.700   10.733   17.109   2.7391   18.279   2.5567 -1.169907 3.746907 
1 1 1   16   20   38 o   30.861   2.2734  116.954   16.450  129.600   23.215  104.200   23.314   31.973   3.1144   28.348   3.5615 3.625038 4.731122 
1 1 1   16   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   20   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21    0 o   35.265   3.4330  151.500   27.965  151.500   27.965  151.500   27.965   35.265   3.4330   35.265   3.4330 0.000000 0.000000 
1 1 1   16   21    1 o   56.295   3.2454  377.968   42.959  342.000   60.685  414.100   60.823   53.194   4.8858   58.689   4.4213 -5.495144 6.589318 
1 1 1   16   21    2 o  131.124   7.2543  2105.85  223.743  2205.40  316.426  2006.30  316.415  131.888   10.241  125.286   10.801 6.601936 14.88372 
1 1 1   16   21    3 o   53.261   3.1467  338.284   39.400  331.800   55.652  344.800   55.787   52.467   4.5366   53.511   4.4555 -1.044342 6.358616 
1 1 1   16   21    4 o   69.375   3.9377  575.987   64.241  543.600   90.833  608.400   90.870   66.860   5.8110   70.872   5.4721 -4.012047 7.982004 
1 1 1   16   21    5 o  121.535   6.7952  1804.74  194.234  1889.10  274.468  1720.10  274.910  122.364   9.5753  116.309   10.110 6.054565 13.92487 
1 1 1   16   21    6 o   32.404   2.2312  124.997   16.969  121.300   23.988  128.700   24.008   31.772   3.2427   32.753   3.1426 -0.9810638 4.515666 
1 1 1   16   21    7 o   78.555   4.4117  741.291   81.503  725.300  115.230  757.300  115.295   76.980   6.3970   78.731   6.2531 -1.751106 8.945583 
1 1 1   16   21    8 o   98.440   5.4577  1173.67  126.367  1226.70  178.769  1120.70  178.651   99.447   7.6720   94.797   8.0572 4.650063 11.12557 
1 1 1   16   21    9 o   69.021   3.9418  571.308   63.979  563.700   90.527  578.900   90.432   67.994   5.6906   68.943   5.6033 -0.9491425 7.986270 
1 1 1   16   21   10 o   81.415   4.5299  798.512   86.743  853.300  122.772  743.900  122.575   83.422   6.2785   77.634   6.7536 5.787354 9.221194 
1 1 1   16   21   11 o   40.700   2.5808  197.496   24.675  194.100   34.876  200.900   34.917   40.138   3.7221   40.854   3.6581 -0.7161484 5.218774 
1 1 1   16   21   12 o   26.983   2.0472   86.779   12.947   92.500   18.263   81.000   18.357   27.749   2.8266   25.908   3.0596 1.841719 4.165400 
1 1 1   16   21   13 o   58.173   3.4000  405.250   46.502  404.900   65.749  405.600   65.778   57.727   4.8688   57.778   4.8665 -0.5091095E-01 6.883879 
1 1 1   16   21   14 o   64.247   3.7158  495.569   56.132  507.400   79.320  483.700   79.445   64.486   5.2547   62.895   5.4016 1.590881 7.535859 
1 1 1   16   21   15 o   30.364   2.1365  109.900   15.221  105.900   21.394  114.000   21.661   29.645   3.1021   30.785   3.0185 -1.140045 4.328343 
1 1 1   16   21   16 o   23.612   1.9310   66.528   10.672   69.100   15.011   63.900   15.176   23.949   2.7016   22.991   2.8570 0.9585037 3.932028 
1 1 1   16   21   17 o   20.988   1.8859   52.637   9.2471   63.800   13.027   41.300   13.128   23.043   2.4308   18.350   3.1428 4.692509 3.973106 
1 1 1   16   21   18 o   76.126   4.4189  702.341   79.092  759.400  111.716  645.000  111.991   78.279   6.0917   71.762   6.6858 6.517349 9.044828 
1 1 1   16   21   19 o   23.849   1.9220   67.906   10.732   74.000   15.170   61.800   15.185   24.789   2.6318   22.574   2.9169 2.215004 3.928737 
1 1 1   16   21   20 o   43.399   2.6360  225.321   26.886  208.500   37.879  242.400   38.169   41.411   3.9203   44.761   3.6428 -3.349716 5.351458 
1 1 1   16   21   21 f   83.751   4.9439  861.169   97.340  973.500  137.495  748.300  137.824   87.701   6.6897   75.932   7.7974 11.76905 10.27382 
1 1 1   16   21   22 o   49.876   3.1274  299.710   36.647  330.600   51.694  268.500   51.961   51.965   4.2500   46.568   4.7937 5.396717 6.406401 
1 1 1   16   21   23 o   40.381   2.6412  195.873   25.047  218.800   35.366  172.800   35.478   42.401   3.5652   37.472   4.0752 4.929928 5.414629 
1 1 1   16   21   24 o   86.710   5.0132  937.664  102.209  1005.10  144.530  870.200  144.560   87.563   7.0497   80.716   7.6769 6.847092 10.42271 
1 1 1   16   21   25 o   49.299   2.9983  294.190   34.738  302.600   49.157  285.800   49.096   49.397   4.2559   47.925   4.3870 1.471291 6.112134 
1 1 1   16   21   26 o   35.770   2.3441  153.862   19.690  188.700   27.862  119.100   27.831   39.405   3.0172   30.940   3.8956 8.464933 4.927428 
1 1 1   16   21   27 o   18.909   1.7605   42.946   7.7702   42.300   10.951   43.600   11.026   18.590   2.5630   18.884   2.5369 -0.2947083 3.606158 
1 1 1   16   21   28 o   24.849   1.8810   74.105   10.955   93.300   15.532   55.100   15.455   27.769   2.3920   21.053   3.2104 6.715870 4.003522 
1 1 1   16   21   29 o   33.191   1.9740  132.175   15.402  177.500   21.910   87.900   21.655   38.331   2.4333   26.541   3.5437 11.79002 4.298701 
1 1 1   16   21   30 o   50.235   2.9205  307.540   34.494  372.000   48.862  243.500   48.703   54.684   3.8078   43.522   4.8199 11.16191 6.142495 
1 1 1   16   21   31 o   31.972   2.0161  122.903   15.143  165.700   21.504   80.800   21.329   36.982   2.4767   25.335   3.6723 11.64788 4.429482 
1 1 1   16   21   32 o   50.377   2.7769  309.206   32.905  402.600   46.634  216.600   46.437   57.013   3.4806   40.795   4.9198 16.21727 6.026521 
1 1 1   16   21   33 o   26.276   2.0068   83.325   12.357   79.100   17.231   87.800   17.732   25.286   2.9407   26.688   2.8582 -1.402351 4.100855 
1 1 1   16   21   34 o   17.064   1.6531   35.130   6.5773   28.000   8.9753   43.400   9.6665   14.958   2.6374   18.837   2.2155 -3.879401 3.444486 
1 1 1   16   21   35 o  ?   ?   -4.2520   0.5327  -4.1000   0.5600  -5.7000   1.7285  ?   ?    1.7492   0.8829 0.000000 0.8829254 
1 1 1   16   21   36 o   24.895   2.0341   75.370   11.853   79.800   16.635   70.800   16.895   25.286   2.8348   23.679   3.0955 1.606447 4.197400 
1 1 1   16   21   37 o   18.173   1.8847   40.293   7.9703   35.900   11.263   44.700   11.280   16.758   2.9542   18.893   2.5972 -2.135225 3.933508 
1 1 1   16   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   21   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22    0 o  116.663   9.4319  1689.10  255.926  1689.10  255.926  1689.10  255.926  116.663   9.4319  116.663   9.4319 0.000000 0.000000 
1 1 1   16   22    1 o  104.740   5.6834  1329.63  140.041  1512.00  198.166  1147.70  197.931  110.589   7.6353   95.525   8.8762 15.06322 11.70833 
1 1 1   16   22    2 o   89.857   5.0034  973.838  105.745  1034.00  149.561  913.700  149.531   91.716   6.9576   85.942   7.4417 5.773964 10.18757 
1 1 1   16   22    3 o   63.178   3.6143  477.391   53.696  432.800   75.888  522.100   75.988   59.653   5.4475   65.726   4.9320 -6.073353 7.348481 
1 1 1   16   22    4 o   62.257   3.6007  463.659   52.708  490.500   74.528  436.800   74.552   63.664   4.9977   59.957   5.3209 3.706608 7.299950 
1 1 1   16   22    5 o   91.751   5.1160  1017.30  110.400  1019.20  156.028  1015.40  156.232   90.749   7.3441   90.564   7.3694 0.1845932 10.40407 
1 1 1   16   22    6 o   31.577   2.2139  118.766   16.403  112.500   23.227  125.000   23.169   30.566   3.2686   32.271   3.0777 -1.704412 4.489580 
1 1 1   16   22    7 o   27.457   2.0558   89.817   13.232   78.900   18.727  100.700   18.698   25.553   3.1719   28.983   2.7657 -3.429890 4.208269 
1 1 1   16   22    8 o   64.668   3.7058  501.126   56.352  484.900   79.636  517.400   79.752   63.090   5.3974   65.248   5.2200 -2.157372 7.508685 
1 1 1   16   22    9 o   45.643   2.7573  248.496   29.579  281.100   41.866  216.000   41.796   48.370   3.6933   42.237   4.2483 6.132725 5.629241 
1 1 1   16   22   10 o   56.963   3.3048  388.143   44.262  416.800   62.659  359.600   62.533   58.700   4.5561   54.388   4.9224 4.312473 6.707362 
1 1 1   16   22   11 o   81.616   4.4326  803.141   85.106  937.100  120.498  669.800  120.220   87.515   5.8648   73.356   7.0262 14.15926 9.152265 
1 1 1   16   22   12 o   20.008   1.7970   47.793   8.3998   44.800   11.866   50.800   11.892   19.230   2.6864   20.531   2.5050 -1.300821 3.673142 
1 1 1   16   22   13 o   61.000   3.5628  446.428   51.096  473.700   72.224  419.100   72.298   62.393   4.9425   58.538   5.2874 3.855278 7.237739 
1 1 1   16   22   14 f   33.139   2.2880  130.983   17.795  136.400   25.089  125.500   25.243   33.663   3.1945   32.243   3.3650 1.419865 4.639810 
1 1 1   16   22   15 o   20.573   1.8699   50.576   8.9849   52.900   12.511   48.100   12.912   20.935   2.5858   19.903   2.8266 1.031511 3.830930 
1 1 1   16   22   16 o   4.5004   1.5329   2.2020   1.9507   3.1000   2.6863   1.2000   2.8374   5.3149   1.7989   4.4843   1.7855 0.8306880 2.534541 
1 1 1   16   22   17 o   55.356   3.1566  367.327   41.091  438.300   58.203  296.800   58.020   60.178   4.1207   49.138   5.0733 11.03948 6.535986 
1 1 1   16   22   18 o   44.174   2.5667  233.142   26.658  202.300   37.486  264.700   37.919   40.802   3.9396   46.863   3.4508 -6.060905 5.237254 
1 1 1   16   22   19 o   24.906   2.0088   74.120   11.714   80.800   16.480   67.300   16.653   25.885   2.7377   23.530   3.0703 2.355301 4.113587 
1 1 1   16   22   20 o   68.451   3.9661  568.226   63.832  611.300   90.245  525.100   90.299   70.175   5.4897   64.720   5.9761 5.455696 8.114883 
1 1 1   16   22   21 o   9.1062   1.7448   10.169   3.6152   12.000   4.9640   8.1000   5.2756   9.8504   2.1907   8.2190   2.4975 1.631423 3.322172 
1 1 1   16   22   22 o   80.405   6.8859  836.300  129.478  836.300  129.478   0.0000   0.0000   80.405   6.8859  ?   ?  0.000000 6.885859 
1 1 1   16   22   23 o   14.848   1.7082   26.529   5.8799   28.600   8.2590   24.400   8.3731   15.302   2.3618   14.057   2.6189 1.245046 3.526575 
1 1 1   16   22   24 o   35.074   2.3417  147.781   19.283  155.900   27.303  139.700   27.238   35.744   3.2711   33.753   3.4667 1.990971 4.766301 
1 1 1   16   22   25 o   6.1187   1.7061   4.5809   2.5578   3.2000   3.8230   5.7000   3.4416   5.7945   2.1290   6.8505   2.0018 -1.056055 2.922264 
1 1 1   16   22   26 o   28.832   1.9799   99.684   13.398  129.500   19.001   70.200   18.895   32.749   2.4753   23.762   3.4698 8.987154 4.262221 
1 1 1   16   22   27 o   30.555   2.1796  112.359   15.623  129.300   22.088   95.400   22.100   32.560   2.9034   27.740   3.4481 4.819376 4.507666 
1 1 1   16   22   28 o   61.286   3.5256  462.540   50.807  561.100   71.911  364.300   71.794   66.577   4.6024   52.469   5.8968 14.10789 7.480243 
1 1 1   16   22   29 o   12.094   1.5484   17.684   4.3204   25.400   6.2446   10.600   5.9838   14.467   1.8719   9.2463   2.6206 5.220317 3.220516 
1 1 1   16   22   30 o   44.414   2.6985  239.669   28.167  274.900   39.908  204.700   39.759   47.061   3.6190   40.198   4.2532 6.862797 5.584489 
1 1 1   16   22   31 o   35.538   2.3276  152.725   19.425  182.700   27.505  122.900   27.437   38.571   3.0446   31.247   3.7965 7.324553 4.866548 
1 1 1   16   22   32 o   5.9867   1.6704   4.4011   2.4511   3.0000   3.6095   5.6000   3.3389   5.6067   2.0674   6.7679   1.9700 -1.161255 2.855674 
1 1 1   16   22   33 o   24.907   1.7495   74.603   10.225   96.600   14.595   53.400   14.329   28.216   2.2081   20.655   3.0277 7.560501 3.747345 
1 1 1   16   22   34 o   10.579   1.8435   13.807   4.4377   18.200   6.0803   8.8000   6.4914   12.092   2.2109   8.5788   2.7934 3.513586 3.562459 
1 1 1   16   22   35 o   18.417   1.8167   41.146   7.7978   42.500   10.853   39.700   11.211   18.488   2.5541   17.785   2.7589 0.7030277 3.759640 
1 1 1   16   22   36 o   27.387   2.1050   91.506   13.509   87.100   19.011   96.000   19.199   26.215   3.1332   27.616   2.9920 -1.401205 4.332365 
1 1 1   16   22   37 o   34.854   3.7095  158.200   30.062   0.0000   0.0000  158.200   30.062  ?   ?    34.854   3.7095 0.000000 3.709518 
1 1 1   16   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   22   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23    0 o   90.577   7.3574  1008.80  154.976  1008.80  154.976  1008.80  154.976   90.577   7.3574   90.577   7.3574 0.000000 0.000000 
1 1 1   16   23    1 o  125.007   7.2384  1930.92  212.753  2138.30  300.361  1722.10  301.399  129.099   9.9289  114.468   11.298 14.63044 15.04083 
1 1 1   16   23    2 o   28.814   2.0865   98.891   14.100   96.700   19.900  101.100   19.982   28.354   3.0186   29.009   2.9584 -0.6550617 4.226628 
1 1 1   16   23    3 o   55.098   3.1828  362.660   41.233  402.900   58.378  322.600   58.248   57.814   4.3071   51.552   4.8416 6.261856 6.480165 
1 1 1   16   23    4 o  112.782   6.1257  1553.83  162.528  1380.00  229.608  1728.40  230.090  103.894   9.4629  117.308   8.3611 -13.41377 12.62747 
1 1 1   16   23    5 o   79.019   4.0658  749.595   75.608  584.500  106.668  916.300  107.187   68.779   6.6508   86.924   5.2466 -18.14496 8.471113 
1 1 1   16   23    6 o   38.655   2.4821  178.085   22.536  190.300   31.891  165.900   31.850   39.801   3.4266   37.089   3.6855 2.711403 5.032363 
1 1 1   16   23    7 o   28.303   2.0805   95.454   13.807   94.700   19.582   96.200   19.471   28.052   3.0028   28.283   2.9593 -0.2313328 4.215920 
1 1 1   16   23    8 o   34.970   2.3418  145.753   19.226  144.500   27.219  147.000   27.161   34.645   3.3697   34.954   3.3310 -0.3086739 4.738156 
1 1 1   16   23    9 o   59.839   3.2071  428.037   45.152  528.300   64.003  328.700   63.707   66.246   4.1118   51.843   5.2776 14.40343 6.690254 
1 1 1   16   23   10 o   35.694   2.3754  151.910   19.907  155.600   28.116  148.200   28.188   35.956   3.3501   35.063   3.4492 0.8927689 4.808331 
1 1 1   16   23   11 o   61.594   3.5537  455.079   51.468  432.200   72.753  478.000   72.820   59.478   5.2334   62.675   4.9609 -3.197002 7.211019 
1 1 1   16   23   12 o   22.364   1.8481   59.662   9.6724   50.900   13.650   68.500   13.708   20.476   2.9045   23.887   2.4658 -3.411238 3.809976 
1 1 1   16   23   13 f   21.805   1.8805   56.767   9.5882   59.200   13.513   54.300   13.607   22.156   2.6345   21.178   2.7887 0.9778881 3.836310 
1 1 1   16   23   14 o   23.683   1.9538   66.955   10.829   69.800   15.172   64.000   15.462   24.066   2.7174   22.995   2.9128 1.070435 3.983507 
1 1 1   16   23   15 o   49.387   3.0886  292.295   35.839  327.300   50.544  256.900   50.825   51.973   4.1531   45.813   4.7680 6.159870 6.323181 
1 1 1   16   23   16 o   45.686   2.7137  249.560   29.144  231.700   41.001  267.800   41.435   43.686   4.0197   47.068   3.7593 -3.382473 5.503684 
1 1 1   16   23   17 o   35.255   2.4560  148.629   20.319  170.900   28.653  126.100   28.818   37.646   3.2552   32.143   3.8750 5.503262 5.060802 
1 1 1   16   23   18 o   36.835   2.4068  162.176   20.819  158.900   29.335  165.500   29.551   36.221   3.4723   36.985   3.4225 -0.7640991 4.875505 
1 1 1   16   23   19 o   56.508   3.3650  384.984   44.698  391.000   63.037  378.900   63.391   56.366   4.7811   55.428   4.8935 0.9379272 6.841464 
1 1 1   16   23   20 o   17.581   1.7450   37.041   7.1484   45.600   10.115   28.500   10.104   19.442   2.2444   15.178   2.9253 4.264453 3.687121 
1 1 1   16   23   21 o   31.012   2.2011  115.170   16.014  147.900   22.641   82.400   22.654   35.033   2.7592   25.798   3.8354 9.234680 4.724785 
1 1 1   16   23   22 o   32.106   2.2962  123.677   17.294  142.700   24.408  104.500   24.506   34.301   3.0451   29.136   3.6415 5.165852 4.746868 
1 1 1   16   23   23 o   9.2472   1.6463   10.462   3.4631   12.400   4.9475   8.6000   4.8491   10.004   2.1577   8.3655   2.3550 1.638811 3.194008 
1 1 1   16   23   24 o   46.973   2.9001  267.050   32.010  294.300   45.269  239.800   45.269   48.815   3.9614   43.787   4.4395 5.028164 5.949964 
1 1 1   16   23   25 o   72.977   4.2845  662.811   73.508  698.600  103.939  627.000  103.972   73.078   6.0784   68.765   6.4794 4.313393 8.884253 
1 1 1   16   23   26 o   43.423   2.6848  228.238   27.394  267.700   38.771  188.900   38.711   46.625   3.5481   38.741   4.3044 7.884949 5.578242 
1 1 1   16   23   27 o   33.090   2.1172  131.632   16.457  174.400   23.361   89.500   23.187   37.936   2.6239   26.705   3.7827 11.23070 4.603658 
1 1 1   16   23   28 o   30.401   2.1717  111.353   15.488  115.800   21.897  106.900   21.909   30.709   3.0604   29.440   3.2032 1.268650 4.430205 
1 1 1   16   23   29 o   18.941   1.7583   43.166   7.7744   49.900   11.022   36.500   10.967   20.237   2.3503   17.145   2.8060 3.091904 3.660228 
1 1 1   16   23   30 o   16.845   1.7257   34.208   6.7675   37.100   9.5577   31.300   9.5838   17.395   2.3900   15.884   2.6484 1.511000 3.567368 
1 1 1   16   23   31 o   22.189   1.7942   59.218   9.3205   71.600   13.253   47.100   13.111   24.267   2.3419   19.455   2.9460 4.811068 3.763415 
1 1 1   16   23   32 o   20.263   1.7907   49.513   8.4796   54.400   12.038   44.700   11.946   21.058   2.4677   18.974   2.7461 2.083271 3.692023 
1 1 1   16   23   33 o   34.881   2.1948  147.499   17.985  193.300   25.491  102.100   25.379   39.672   2.7378   28.179   3.9202 11.49241 4.781629 
1 1 1   16   23   34 o   26.181   1.8821   82.860   11.558   64.900   16.072  102.100   16.634   22.704   3.0770   28.847   2.4656 -6.142866 3.943010 
1 1 1   16   23   35 o   21.373   1.8368   55.400   9.1802   33.500   12.747   79.000   13.232   16.010   3.4718   25.404   2.2284 -9.394239 4.125372 
1 1 1   16   23   36 o   38.722   2.5595  185.361   23.271  172.400   32.557  198.900   33.275   36.332   3.8537   39.250   3.6314 -2.917995 5.295058 
1 1 1   16   23   37 o   7.3167   2.5288   6.1000   5.3143   0.0000   0.0000   6.1000   5.3143  ?   ?    7.3167   2.5288 0.000000 2.528785 
1 1 1   16   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   23   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24    0 o   4.7282   2.5145   3.8000   3.7958   3.8000   3.7958   3.8000   3.7958   4.7282   2.5145   4.7282   2.5145 0.000000 0.000000 
1 1 1   16   24    1 o   17.890   1.7587   38.254   7.3333   39.400   10.355   37.100   10.387   18.049   2.4963   17.488   2.5940 0.5617008 3.600051 
1 1 1   16   24    2 o   23.820   1.9277   67.653   10.750   69.500   15.190   65.800   15.216   24.031   2.7250   23.359   2.8153 0.6717091 3.918085 
1 1 1   16   24    3 o   56.845   3.2864  386.496   43.926  334.000   62.059  439.200   62.182   52.349   5.0845   60.313   4.3963 -7.964493 6.721619 
1 1 1   16   24    4 f   19.093   1.7927   43.546   7.9881   41.400   11.286   45.700   11.308   18.480   2.6632   19.458   2.5203 -0.9785080 3.666655 
1 1 1   16   24    5 o   51.355   3.0681  315.190   37.036  311.100   52.309  319.300   52.443   50.695   4.4137   51.377   4.3640 -0.6825676 6.206912 
1 1 1   16   24    6 o   34.769   2.3186  144.081   18.927  132.700   26.744  155.500   26.789   33.163   3.4664   35.982   3.1858 -2.818993 4.708048 
1 1 1   16   24    7 o   62.129   3.5560  462.770   51.953  514.600   73.529  411.100   73.416   65.125   4.8155   57.954   5.4279 7.171001 7.256066 
1 1 1   16   24    8 o   98.114   5.3152  1171.49  122.684  1316.30  173.689  1027.30  173.316  102.765   7.2031   89.994   8.2474 12.77070 10.95008 
1 1 1   16   24    9 o   44.972   2.6705  241.348   28.232  271.200   40.029  211.800   39.825   47.486   3.5965   41.813   4.0857 5.672935 5.443148 
1 1 1   16   24   10 o   34.771   2.2734  144.116   18.563  165.000   26.305  123.400   26.199   37.086   3.0303   31.934   3.5335 5.151525 4.654922 
1 1 1   16   24   11 o   42.673   2.4791  217.150   24.873  265.000   35.325  170.100   35.029   47.010   3.2013   37.425   4.0271 9.585472 5.144514 
1 1 1   16   24   12 o   83.673   4.6532  848.934   91.575  909.400  129.631  788.700  129.382   85.588   6.4617   79.357   6.9753 6.231842 9.508312 
1 1 1   16   24   13 o   26.428   2.0481   83.353   12.681   91.200   17.874   75.400   17.995   27.532   2.7878   24.943   3.1237 2.589571 4.186772 
1 1 1   16   24   14 o   24.424   1.9405   71.198   11.100   72.700   15.705   69.700   15.689   24.551   2.7567   24.021   2.8196 0.5299072 3.943345 
1 1 1   16   24   15 o   38.734   2.2161  178.840   20.186  140.100   28.276  219.100   28.826   33.988   3.5768   42.757   2.8717 -8.768402 4.586977 
1 1 1   16   24   16 o   36.536   2.5048  159.687   21.480  178.300   30.267  140.800   30.489   38.423   3.3699   33.982   3.8685 4.441372 5.130440 
1 1 1   16   24   17 o   26.276   1.9341   82.404   11.916   71.000   16.746   94.100   16.959   24.186   2.9963   27.976   2.5968 -3.789967 3.965004 
1 1 1   16   24   18 o   44.172   2.8018  234.221   29.073  244.900   40.981  223.400   41.252   44.830   3.9104   42.722   4.1411 2.108501 5.695611 
1 1 1   16   24   19 o   50.528   3.0502  307.492   36.223  304.700   51.158  310.300   51.297   49.776   4.3976   50.248   4.3667 -0.4722672 6.197356 
1 1 1   16   24   20 o   62.059   3.7537  468.893   54.750  521.300   77.286  416.100   77.571   64.638   5.1050   57.251   5.8187 7.387005 7.740733 
1 1 1   16   24   21 o   12.236   1.7018   18.125   4.7843   19.200   6.6911   17.000   6.8434   12.478   2.3572   11.696   2.5497 0.7822037 3.472389 
1 1 1   16   24   22 o   33.318   2.2168  133.178   17.342  121.100   24.403  145.500   24.648   31.447   3.3373   34.596   3.0483 -3.149469 4.519944 
1 1 1   16   24   23 o   30.439   2.1754  111.262   15.533  120.400   21.952  102.100   21.982   31.442   2.9928   28.839   3.2866 2.602757 4.445074 
1 1 1   16   24   24 o   28.116   2.0807   94.951   13.716   95.400   19.377   94.500   19.419   27.936   2.9835   27.795   3.0065 0.1409550 4.235617 
1 1 1   16   24   25 o   22.698   1.8687   61.862   9.9270   72.500   14.064   51.300   14.014   24.441   2.4707   20.373   3.0030 4.068342 3.888803 
1 1 1   16   24   26 o   17.040   1.7361   34.954   6.8879   33.800   9.7561   36.100   9.7259   16.564   2.5781   17.157   2.4720 -0.5923080 3.571773 
1 1 1   16   24   27 o   13.327   1.6760   21.485   5.1575   17.400   7.2806   25.600   7.3072   11.777   2.6784   14.452   2.2115 -2.674953 3.473460 
1 1 1   16   24   28 o   18.933   1.7844   43.150   7.8837   41.100   11.149   45.200   11.149   18.260   2.6641   19.206   2.5191 -0.9455338 3.666531 
1 1 1   16   24   29 o   55.337   3.3245  376.972   43.240  423.900   61.168  330.100   61.132   57.710   4.5249   50.294   5.2236 7.416420 6.910896 
1 1 1   16   24   30 f   33.017   2.2597  131.742   17.512  137.300   24.898  126.300   24.635   33.332   3.2027   31.906   3.3183 1.426401 4.611758 
1 1 1   16   24   31 o   33.423   2.0874  134.794   16.392  177.500   23.280   92.800   23.085   38.155   2.5993   27.059   3.7107 11.09678 4.530524 
1 1 1   16   24   32 o   21.290   1.8462   54.750   9.1896   66.300   12.996   43.200   12.996   23.275   2.3990   18.509   3.0818 4.765438 3.905513 
1 1 1   16   24   33 o   30.280   2.0750  111.156   14.747  128.500   20.943   94.100   20.768   32.245   2.7776   27.313   3.2860 4.932102 4.302686 
1 1 1   16   24   34 o   10.552   2.7123   14.200   6.7951   0.0000   0.0000   14.200   6.7951  ?   ?    10.552   2.7123 0.000000 2.712288 
1 1 1   16   24   35 o   27.527   2.1446   92.593   13.830  104.400   19.648   81.000   19.470   28.834   2.9263   25.126   3.3661 3.708475 4.460269 
1 1 1   16   24   36 o   30.037   3.3470  115.800   23.336   0.0000   0.0000  115.800   23.336  ?   ?    30.037   3.3470 0.000000 3.346991 
1 1 1   16   24   37 o   34.842   3.6502  158.200   29.586   0.0000   0.0000  158.200   29.586  ?   ?    34.842   3.6502 0.000000 3.650165 
1 1 1   16   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   24   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25    0 o   43.947   3.9887  235.300   40.608  235.300   40.608  235.300   40.608   43.947   3.9887   43.947   3.9887 0.000000 0.000000 
1 1 1   16   25    1 o   58.998   3.1830  416.169   44.179  487.200   62.875  346.900   62.090   63.561   4.2131   53.350   4.9865 10.21067 6.528002 
1 1 1   16   25    2 o   71.152   4.0524  609.150   67.805  612.000   95.891  606.300   95.891   70.635   5.8003   70.289   5.8299 0.3452454 8.223843 
1 1 1   16   25    3 o   85.483   4.7530  884.412   95.563  819.500  135.056  949.500  135.238   81.051   7.1291   87.618   6.5847 -6.566811 9.704741 
1 1 1   16   25    4 o   28.378   2.0846   96.000   13.871   85.700   19.617  106.300   19.617   26.625   3.1834   29.757   2.8256 -3.132626 4.256526 
1 1 1   16   25    5 o   43.801   2.6840  228.986   27.627  246.600   39.142  211.500   38.999   45.249   3.6956   41.809   3.9990 3.439537 5.445107 
1 1 1   16   25    6 o   66.977   3.8471  539.304   60.589  542.300   85.629  536.300   85.743   66.552   5.4980   66.163   5.5391 0.3889847 7.804455 
1 1 1   16   25    7 o   84.246   4.6030  858.872   91.225  774.500  128.800  943.800  129.223   78.742   7.0000   87.416   6.3025 -8.673859 9.419230 
1 1 1   16   25    8 f   58.672   3.4328  412.904   47.352  432.900   66.959  392.900   66.973   59.645   4.7946   56.711   5.0541 2.933899 6.966526 
1 1 1   16   25    9 o   35.198   2.3509  147.798   19.427  148.600   27.509  147.000   27.438   35.107   3.3594   34.914   3.3699 0.1931267 4.758367 
1 1 1   16   25   10 o   19.241   1.7950   44.248   8.0614   44.600   11.438   43.900   11.363   19.194   2.5898   19.040   2.5950 0.1548214 3.666174 
1 1 1   16   25   11 o   79.723   4.5142  770.437   84.632  802.200  119.712  738.700  119.664   80.344   6.3619   76.901   6.6554 3.443413 9.206984 
1 1 1   16   25   12 o   38.392   2.5028  176.086   22.566  173.500   31.828  178.700   32.000   37.872   3.6024   38.450   3.5649 -0.5778694 5.068135 
1 1 1   16   25   13 o   43.005   2.6894  221.217   27.173  266.400   38.443  176.100   38.415   47.012   3.4878   37.927   4.3692 9.085133 5.590545 
1 1 1   16   25   14 o   32.515   2.2658  126.279   17.288  150.100   24.433  102.400   24.463   35.330   2.9559   28.975   3.6569 6.354971 4.702194 
1 1 1   16   25   15 o   9.5859   1.8112   11.256   3.9496   11.500   5.5182   11.000   5.6554   9.6427   2.4256   9.4430   2.4978 0.1996374 3.481759 
1 1 1   16   25   16 o   37.638   2.3825  169.392   21.066  155.700   29.622  183.400   29.963   35.799   3.5511   38.954   3.2882 -3.155033 4.839663 
1 1 1   16   25   17 o   42.836   2.6788  220.105   26.960  215.200   37.956  225.100   38.301   41.999   3.8707   42.981   3.8133 -0.9824066 5.433620 
1 1 1   16   25   18 o   12.737   1.7322   19.608   5.0748   20.500   6.9661   18.600   7.4078   12.912   2.3721   12.243   2.6400 0.6687832 3.549160 
1 1 1   16   25   19 o   12.224   1.7581   18.110   4.9288   21.200   6.8050   14.700   7.1485   13.149   2.2739   10.868   2.7756 2.280989 3.588134 
1 1 1   16   25   20 o   49.706   3.0669  298.906   35.821  316.500   50.579  281.200   50.740   50.593   4.2736   47.512   4.5792 3.081398 6.263657 
1 1 1   16   25   21 o   55.147   3.3497  370.070   43.414  394.300   61.310  345.700   61.485   56.164   4.6650   52.329   5.0381 3.835793 6.866238 
1 1 1   16   25   22 o   43.175   2.7072  225.083   27.461  216.600   38.797  233.600   38.876   41.820   3.9765   43.519   3.8217 -1.698399 5.515291 
1 1 1   16   25   23 o   27.207   2.0592   88.917   13.131   93.000   18.531   84.800   18.610   27.608   2.8852   26.298   3.0537 1.309900 4.201131 
1 1 1   16   25   24 o   34.434   2.3575  142.928   19.053  167.000   26.930  118.800   26.961   36.961   3.1145   30.875   3.7768 6.086483 4.895305 
1 1 1   16   25   25 o   41.712   2.6664  210.758   26.126  221.600   36.935  199.900   36.961   42.271   3.7388   40.015   3.9637 2.255890 5.448842 
1 1 1   16   25   26 o   40.757   2.6488  201.338   25.355  220.800   35.822  181.800   35.892   42.224   3.6280   38.065   4.0555 4.158638 5.441474 
1 1 1   16   25   27 o   20.601   2.1464   51.407   10.288   70.600   14.281   30.700   14.834   24.064   2.5522   15.426   4.0285 8.638752 4.768916 
1 1 1   16   25   28 o   35.900   2.3949  155.882   20.186  176.800   28.559  135.000   28.534   37.889   3.2227   32.832   3.7476 5.056442 4.942682 
1 1 1   16   25   29 o   15.649   1.7014   29.555   6.1859   32.300   8.8226   26.900   8.6756   16.212   2.3750   14.712   2.5920 1.500565 3.515585 
1 1 1   16   25   30 o   42.238   2.6911  217.692   26.701  250.500   37.766  184.900   37.756   44.762   3.6035   37.982   4.2845 6.779446 5.598433 
1 1 1   16   25   31 o   21.234   1.8267   54.423   9.0701   63.100   12.847   45.800   12.807   22.695   2.4353   19.133   2.9279 3.561880 3.808318 
1 1 1   16   25   32 o   8.2750   1.7158   8.5000   3.2427   12.000   4.5858   5.0000   4.5858   9.8031   2.0471   6.7464   2.3481 3.056642 3.115162 
1 1 1   16   25   33 o   12.962   1.7014   20.482   5.0821   24.600   7.7680   17.400   6.7197   14.024   2.4340   11.731   2.5022 2.293327 3.490704 
1 1 1   16   25   34 o   17.858   2.6948   40.100   11.010   0.0000   0.0000   40.100   11.010  ?   ?    17.858   2.6948 0.000000 2.694787 
1 1 1   16   25   35 o   29.810   3.3093  113.700   22.902   0.0000   0.0000  113.700   22.902  ?   ?    29.810   3.3093 0.000000 3.309258 
1 1 1   16   25   36 o   34.664   3.6459  156.300   29.396   0.0000   0.0000  156.300   29.396  ?   ?    34.664   3.6459 0.000000 3.645906 
1 1 1   16   25   37 o   20.929   2.8527   55.700   13.731   0.0000   0.0000   55.700   13.731  ?   ?    20.929   2.8527 0.000000 2.852688 
1 1 1   16   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   25   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26    0 f   63.692   5.3871  496.200   79.688  496.200   79.688  496.200   79.688   63.692   5.3871   63.692   5.3871 0.000000 0.000000 
1 1 1   16   26    1 o   17.642   1.7752   37.239   7.2952   28.800   10.310   45.700   10.324   15.294   2.9620   19.489   2.2867 -4.195685 3.741948 
1 1 1   16   26    2 o   50.126   3.0096  300.536   35.459  291.400   50.109  309.700   50.183   49.005   4.3763   50.571   4.2415 -1.566368 6.094500 
1 1 1   16   26    3 o   59.477   3.4563  424.329   48.333  466.600   68.370  382.100   68.336   61.975   4.7070   55.857   5.2423 6.118458 7.045429 
1 1 1   16   26    4 o   53.306   3.1706  340.248   39.729  342.700   56.210  337.800   56.161   53.118   4.5244   52.725   4.5557 0.3935814 6.420619 
1 1 1   16   26    5 o   15.461   1.6875   28.645   6.0611   31.900   8.7178   25.600   8.4326   16.225   2.3433   14.463   2.5629 1.762026 3.472744 
1 1 1   16   26    6 o   57.688   3.3838  399.150   45.893  397.200   64.894  401.100   64.909   57.077   4.8612   57.367   4.8367 -0.2903709 6.857449 
1 1 1   16   26    7 o   64.274   3.6633  496.598   55.369  529.900   78.425  463.500   78.184   65.871   5.0812   61.429   5.4464 4.442154 7.448565 
1 1 1   16   26    8 o   49.084   2.8989  288.180   33.450  317.800   47.403  258.800   47.210   51.280   3.9449   46.115   4.3883 5.165073 5.900816 
1 1 1   16   26    9 o   34.680   2.3177  143.535   18.871  126.800   26.675  160.300   26.700   32.343   3.5512   36.505   3.1276 -4.161694 4.732084 
1 1 1   16   26   10 o  110.996   6.1484  1527.02  160.521  1375.60  226.841  1678.90  227.182  102.034   9.5251  113.995   8.5008 -11.96137 12.76677 
1 1 1   16   26   11 o   29.246   2.1164  102.088   14.517  100.300   20.463  103.900   20.598   28.818   3.0535   29.345   3.0156 -0.5261612 4.291565 
1 1 1   16   26   12 o   51.456   3.0796  317.662   37.248  382.600   52.692  252.800   52.661   56.196   3.9968   45.272   5.0100 10.92434 6.408991 
1 1 1   16   26   13 o   81.515   4.7064  811.591   90.207  839.900  127.258  783.000  127.888   81.592   6.6632   78.530   6.9689 3.061607 9.641798 
1 1 1   16   26   14 o   84.248   4.6234  867.876   91.626  796.800  129.063  940.100  130.101   78.997   6.9910   86.339   6.4274 -7.342422 9.496579 
1 1 1   16   26   15 o   19.103   1.8121   43.703   8.0763   43.800   11.256   43.600   11.595   18.989   2.5769   18.926   2.6684 0.6284523E-01 3.709560 
1 1 1   16   26   16 o   57.746   3.4632  403.482   47.006  427.400   66.363  379.400   66.591   58.785   4.8233   55.178   5.1711 3.606747 7.071417 
1 1 1   16   26   17 f   22.249   1.9342   59.302   10.060   63.500   14.061   54.900   14.400   22.889   2.6506   21.191   2.9585 1.698444 3.972178 
1 1 1   16   26   18 o   20.092   1.7648   48.336   8.2881   43.700   11.471   53.400   11.989   18.926   2.6384   20.994   2.4652 -2.068274 3.610904 
1 1 1   16   26   19 o   22.983   1.9112   63.317   10.278   67.600   14.507   59.000   14.566   23.597   2.6492   21.969   2.8769 1.627537 3.910864 
1 1 1   16   26   20 o   10.639   1.7999   13.834   4.3607   17.400   5.9857   9.8000   6.3657   11.884   2.2146   9.0055   2.7450 2.878038 3.526910 
1 1 1   16   26   21 o   16.821   1.7802   34.052   6.9636   35.800   9.7084   32.200   9.9938   17.108   2.4751   16.151   2.7168 0.9570122 3.675174 
1 1 1   16   26   22 o   10.363   1.7103   13.113   4.0390   16.900   5.7401   9.4000   5.6843   11.709   2.1555   8.7638   2.5760 2.945154 3.358850 
1 1 1   16   26   23 o   13.365   1.7131   21.611   5.2819   19.800   7.4924   23.400   7.4473   12.602   2.6039   13.777   2.3749 -1.175172 3.524311 
1 1 1   16   26   24 o   36.789   2.3746  163.220   20.519  144.800   28.956  181.800   29.081   34.156   3.6464   38.503   3.2283 -4.346790 4.870178 
1 1 1   16   26   25 o   19.071   1.7792   43.740   7.9199   49.700   11.210   37.800   11.191   20.199   2.3970   17.472   2.8075 2.727020 3.691541 
1 1 1   16   26   26 o   36.085   2.3320  157.134   19.765  173.000   28.146  141.700   27.760   37.518   3.2078   33.788   3.5315 3.730000 4.770918 
1 1 1   16   26   27 o   25.639   1.9662   79.100   11.813   92.400   16.738   65.900   16.675   27.537   2.6051   23.041   3.1472 4.496256 4.085519 
1 1 1   16   26   28 o   28.066   2.0599   94.924   13.557  107.800   19.192   82.100   19.152   29.687   2.7697   25.710   3.2257 3.976803 4.251659 
1 1 1   16   26   29 o   16.990   1.7233   34.833   6.8182   40.200   9.6573   29.500   9.6275   18.121   2.3094   15.359   2.7558 2.762008 3.595520 
1 1 1   16   26   30 o   30.988   2.1216  116.162   15.431  140.300   21.886   92.300   21.761   33.797   2.7667   27.048   3.4882 6.748625 4.452212 
1 1 1   16   26   31 o   40.324   2.5102  198.710   23.783  227.200   33.779  170.700   33.493   42.551   3.3899   36.464   3.9530 6.086918 5.207494 
1 1 1   16   26   32 o   33.352   2.2396  135.443   17.536  147.000   25.087  124.400   24.522   34.267   3.1350   31.370   3.3628 2.897280 4.597468 
1 1 1   16   26   33 o   17.175   2.7507   37.200   10.779   0.0000   0.0000   37.200   10.779  ?   ?    17.175   2.7507 0.000000 2.750714 
1 1 1   16   26   34 o   23.267   2.9352   68.400   15.767   0.0000   0.0000   68.400   15.767  ?   ?    23.267   2.9352 0.000000 2.935151 
1 1 1   16   26   35 o   8.3372   2.6757   8.5000   5.9702   0.0000   0.0000   8.5000   5.9702  ?   ?    8.3372   2.6757 0.000000 2.675745 
1 1 1   16   26   36 o   13.966   2.7297   25.000   8.6797   0.0000   0.0000   25.000   8.6797  ?   ?    13.966   2.7297 0.000000 2.729699 
1 1 1   16   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   26   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27    0 o   39.457   3.7055  190.000   33.825  190.000   33.825  190.000   33.825   39.457   3.7055   39.457   3.7055 0.000000 0.000000 
1 1 1   16   27    1 o   23.464   1.9101   65.700   10.491   62.300   14.837   69.100   14.837   22.697   2.8298   23.951   2.6688 -1.253532 3.889731 
1 1 1   16   27    2 o   16.160   1.7441   31.296   6.5500   30.800   9.2291   31.800   9.2975   15.899   2.5441   16.166   2.5176 -0.2667675 3.579183 
1 1 1   16   27    3 o   58.798   3.4157  415.008   47.220  454.500   66.814  375.600   66.743   61.118   4.6648   55.339   5.1674 5.779034 6.961479 
1 1 1   16   27    4 o   50.122   2.9811  300.718   35.124  339.500   49.726  262.100   49.621   52.986   4.0038   46.337   4.5956 6.649734 6.095107 
1 1 1   16   27    5 o   96.523   5.4384  1142.00  123.449  1148.60  174.535  1135.40  174.632   94.945   7.8554   94.346   7.9116 0.5991974 11.14902 
1 1 1   16   27    6 o   58.830   3.3636  415.565   46.533  460.600   65.906  370.800   65.708   61.523   4.5692   54.952   5.1228 6.571274 6.864480 
1 1 1   16   27    7 o   48.696   2.9285  283.960   33.517  256.800   47.366  311.200   47.436   45.882   4.4268   50.689   3.9954 -4.806824 5.963172 
1 1 1   16   27    8 o   26.359   1.9936   82.913   12.317   91.600   17.456   74.300   17.382   27.595   2.7140   24.761   3.0364 2.833086 4.072571 
1 1 1   16   27    9 o   64.427   3.6412  500.122   55.169  555.600   78.111  444.900   77.931   67.360   4.9453   59.950   5.5687 7.410854 7.447566 
1 1 1   16   27   10 o   10.576   1.7370   13.605   4.1872   14.000   5.8837   13.200   5.9603   10.639   2.3992   10.326   2.4764 0.3136082 3.447981 
1 1 1   16   27   11 o   59.981   3.3825  433.156   47.713  387.100   67.121  480.200   67.837   55.987   5.1342   62.654   4.6177 -6.667561 6.905317 
1 1 1   16   27   12 o   98.254   5.3572  1193.83  123.824  1070.30  174.506  1319.10  175.727   90.248   8.2810  101.261   7.4003 -11.01332 11.10586 
1 1 1   16   27   13 o  102.258   5.8796  1308.64  141.374  1396.10  199.891  1221.10  199.977  102.815   8.3042   95.267   8.9959 7.548042 12.24276 
1 1 1   16   27   14 o   79.291   4.5880  772.167   85.536  826.000  120.890  718.200  121.041   80.570   6.4070   74.634   6.9479 5.936699 9.451087 
1 1 1   16   27   15 o   35.823   2.3696  153.786   19.932  140.700   28.119  167.000   28.258   33.941   3.5616   37.102   3.2584 -3.160931 4.827189 
1 1 1   16   27   16 o   63.461   3.7273  490.556   55.609  497.000   78.605  484.100   78.683   62.879   5.3446   61.994   5.4296 0.8856697 7.618773 
1 1 1   16   27   17 o   45.419   2.9346  249.220   31.305  283.600   44.131  214.400   44.413   48.045   3.9241   41.416   4.6200 6.629158 6.061617 
1 1 1   16   27   18 o   36.186   2.4874  157.578   21.125  175.700   29.771  139.200   29.981   37.935   3.3582   33.554   3.8539 4.381496 5.111722 
1 1 1   16   27   19 o   33.973   2.3150  138.713   18.461  128.100   26.063  149.400   26.153   32.286   3.4732   34.991   3.2007 -2.705441 4.723113 
1 1 1   16   27   20 o   40.132   2.6415  194.482   24.892  204.800   35.064  184.000   35.342   40.769   3.6820   38.511   3.9420 2.258709 5.394113 
1 1 1   16   27   21 o   48.742   2.9752  288.513   34.080  280.900   48.079  296.200   48.314   47.359   4.3477   48.706   4.2432 -1.346294 6.075102 
1 1 1   16   27   22 o   5.8720   1.7025   4.1893   2.4981   4.1000   3.3571   4.3000   3.7394   6.0262   2.0111   6.2346   2.1223 -0.2084055 2.923862 
1 1 1   16   27   23 o   18.192   1.7809   39.821   7.5524   43.400   10.650   36.200   10.712   18.851   2.4504   17.114   2.7433 1.736080 3.678368 
1 1 1   16   27   24 o   15.094   1.6830   27.468   5.8963   25.200   8.2811   29.800   8.3973   14.259   2.5532   15.585   2.3552 -1.325690 3.473586 
1 1 1   16   27   25 o   39.242   2.5584  186.456   23.578  204.700   33.338  168.200   33.350   40.694   3.5035   36.657   3.9133 4.036560 5.252454 
1 1 1   16   27   26 o   29.234   2.1179  102.984   14.522  118.500   20.547   87.500   20.526   31.135   2.8254   26.527   3.3517 4.608597 4.383741 
1 1 1   16   27   27 o   42.026   2.6983  214.865   26.637  236.000   37.656  193.700   37.684   43.503   3.7008   39.124   4.1420 4.379631 5.554451 
1 1 1   16   27   28 o   31.512   2.2312  120.154   16.495  127.300   23.321  113.000   23.335   32.079   3.1180   30.108   3.3384 1.971317 4.568046 
1 1 1   16   27   29 o   22.611   1.8989   61.738   10.045   71.100   14.215   52.400   14.197   24.077   2.5385   20.462   3.0297 3.614740 3.952612 
1 1 1   16   27   30 o   21.476   1.8530   55.766   9.3053   63.700   13.189   47.900   13.131   22.758   2.4950   19.543   2.9362 3.214874 3.853117 
1 1 1   16   27   31 o   58.023   3.1408  419.342   42.874  496.100   61.442  346.500   59.854   61.840   4.2330   50.673   5.0702 11.16757 6.604945 
1 1 1   16   27   32 o   10.052   2.3711   12.800   5.5369   0.0000   0.0000   12.800   5.5369  ?   ?    10.052   2.3711 0.000000 2.371104 
1 1 1   16   27   33 o   10.903   2.6023   15.200   6.6069   0.0000   0.0000   15.200   6.6069  ?   ?    10.903   2.6023 0.000000 2.602312 
1 1 1   16   27   34 o   15.445   2.6415   30.200   9.2878   0.0000   0.0000   30.200   9.2878  ?   ?    15.445   2.6415 0.000000 2.641455 
1 1 1   16   27   35 o   23.689   3.0088   71.400   16.451   0.0000   0.0000   71.400   16.451  ?   ?    23.689   3.0088 0.000000 3.008839 
1 1 1   16   27   36 o   8.1634   2.6784   8.1000   5.9635   0.0000   0.0000   8.1000   5.9635  ?   ?    8.1634   2.6784 0.000000 2.678384 
1 1 1   16   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   27   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28    0 o   3.1300   1.8711   1.2000   2.4553   1.2000   2.4553   1.2000   2.4553   3.1300   1.8711   3.1300   1.8711 0.000000 0.000000 
1 1 1   16   28    1 o   17.992   1.7477   38.726   7.3313   34.600   10.278   43.000   10.461   16.841   2.6737   18.866   2.4027 -2.025335 3.594668 
1 1 1   16   28    2 o   39.557   2.6116  187.144   24.258  137.600   34.356  236.400   34.255   33.446   4.4613   44.324   3.2965 -10.87780 5.547030 
1 1 1   16   28    3 o   69.761   4.0026  588.187   65.660  568.000   92.828  608.400   92.886   67.663   5.8680   70.162   5.6544 -2.499191 8.148971 
1 1 1   16   28    4 o   33.046   2.2442  130.364   17.409  120.400   24.575  140.400   24.664   31.535   3.3516   34.139   3.0931 -2.603218 4.560738 
1 1 1   16   28    5 o   72.287   4.1369  632.750   70.322  658.000   99.451  607.500   99.451   72.840   5.8309   69.820   6.0931 3.020004 8.433570 
1 1 1   16   28    6 o   35.518   2.3440  150.693   19.549  130.700   27.607  170.800   27.686   32.792   3.6259   37.659   3.1421 -4.866112 4.797884 
1 1 1   16   28    7 o   33.315   2.2766  132.599   17.802  137.300   25.179  127.900   25.173   33.714   3.2012   32.500   3.3270 1.214504 4.616994 
1 1 1   16   28    8 o   30.697   2.0722  112.460   14.933  132.000   21.223   93.300   21.016   33.146   2.7360   27.710   3.2751 5.435438 4.267549 
1 1 1   16   28    9 o   39.972   2.5151  191.210   23.619  171.800   33.325  210.800   33.479   37.547   3.8114   41.745   3.4265 -4.197643 5.125231 
1 1 1   16   28   10 o   53.666   3.3050  347.242   41.679  380.900   58.776  313.200   59.111   55.733   4.5046   50.264   5.0485 5.468971 6.766043 
1 1 1   16   28   11 o   12.050   1.8572   17.639   5.1146   23.800   7.0275   10.700   7.4580   13.975   2.2025   9.4968   2.9842 4.478036 3.709010 
1 1 1   16   28   12 o   47.295   2.9487  269.227   32.767  283.800   46.218  254.500   46.462   48.142   4.1048   45.458   4.3826 2.683743 6.004701 
1 1 1   16   28   13 o   62.641   3.5305  475.694   52.009  435.000   73.191  517.200   73.919   58.928   5.3171   64.572   4.8839 -5.644001 7.219716 
1 1 1   16   28   14 o   28.922   2.0803  100.137   14.113   91.300   19.888  109.100   20.029   27.367   3.1340   30.019   2.8602 -2.651781 4.242912 
1 1 1   16   28   15 o   70.732   4.1760  615.307   69.440  677.800   98.119  552.600   98.287   72.983   5.7396   65.238   6.4653 7.745430 8.645465 
1 1 1   16   28   16 f   5.3185   1.6971   3.2888   2.4043   9.4000   3.4321  -2.6000   3.3691   8.7428   1.7237   3.6636   1.6869 5.079216 2.411824 
1 1 1   16   28   17 o   70.889   4.1664  620.286   69.438  628.900   97.995  611.600   98.406   69.788   6.0049   68.694   6.1310 1.094482 8.581859 
1 1 1   16   28   18 o   46.919   2.8675  266.357   31.618  249.100   44.532  283.900   44.899   44.718   4.2691   47.908   4.0056 -3.189373 5.854070 
1 1 1   16   28   19 o   46.904   2.9852  267.103   32.892  295.700   46.393  238.200   46.640   48.805   4.0625   43.462   4.6152 5.342892 6.148514 
1 1 1   16   28   20 o   27.940   2.1309   93.890   13.953  101.900   19.623   85.700   19.843   28.892   2.9162   26.363   3.2567 2.528860 4.371549 
1 1 1   16   28   21 o   37.383   2.4863  168.727   21.822  174.900   30.793  162.500   30.929   37.662   3.5026   36.219   3.6669 1.443771 5.070935 
1 1 1   16   28   22 o   77.627   4.6048  759.843   84.031  783.900  118.731  735.700  118.945   76.285   6.6579   73.516   6.9336 2.768616 9.612650 
1 1 1   16   28   23 o   41.900   2.6868  212.867   26.443  228.000   37.375  197.700   37.416   42.860   3.7301   39.721   4.0456 3.139454 5.502774 
1 1 1   16   28   24 o   31.876   2.2311  122.491   16.688  138.600   23.607  106.400   23.593   33.647   3.0028   29.263   3.4828 4.384251 4.598513 
1 1 1   16   28   25 o   35.465   2.3895  152.050   19.894  152.100   28.118  152.000   28.151   35.039   3.4428   35.025   3.4484 0.1424026E-01 4.872856 
1 1 1   16   28   26 o   48.729   2.9986  290.572   34.337  282.100   48.480  299.100   48.639   47.066   4.4136   48.572   4.2846 -1.506733 6.151227 
1 1 1   16   28   27 o   40.859   2.6706  203.593   25.625  222.600   36.198  184.500   36.280   42.149   3.6737   38.081   4.0991 4.068699 5.504429 
1 1 1   16   28   28 o   45.126   2.8130  249.652   29.825  271.000   42.227  228.400   42.132   46.252   3.9028   42.141   4.2939 4.111027 5.802516 
1 1 1   16   28   29 o   29.701   2.1522  107.024   14.992  118.900   21.226   95.200   21.179   30.968   2.9378   27.495   3.3299 3.472504 4.440638 
1 1 1   16   28   30 o   57.353   3.3960  413.087   45.788  450.000   65.169  377.100   64.347   58.205   4.7839   52.686   5.2417 5.518967 7.096587 
1 1 1   16   28   31 o   15.964   2.5364   31.900   9.2412   0.0000   0.0000   31.900   9.2412  ?   ?    15.964   2.5364 0.000000 2.536367 
1 1 1   16   28   32 o   6.3873   2.4572   3.5000   5.2205   0.0000   0.0000   3.5000   5.2205  ?   ?    6.3873   2.4572 0.000000 2.457156 
1 1 1   16   28   33 o   12.118   2.9212   19.000   8.2612   0.0000   0.0000   19.000   8.2612  ?   ?    12.118   2.9212 0.000000 2.921182 
1 1 1   16   28   34 o   26.603   3.1320   90.200   19.298   0.0000   0.0000   90.200   19.298  ?   ?    26.603   3.1320 0.000000 3.132039 
1 1 1   16   28   35 o   14.617   2.8175   27.500   9.3722   0.0000   0.0000   27.500   9.3722  ?   ?    14.617   2.8175 0.000000 2.817459 
1 1 1   16   28   36 o   14.861   2.8242   28.600   9.5484   0.0000   0.0000   28.600   9.5484  ?   ?    14.861   2.8242 0.000000 2.824174 
1 1 1   16   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   28   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29    0 o   29.590   3.1689  107.600   21.501  107.600   21.501  107.600   21.501   29.590   3.1689   29.590   3.1689 0.000000 0.000000 
1 1 1   16   29    1 o   41.456   2.5258  205.540   24.608  228.200   35.127  183.700   34.485   43.457   3.4515   38.862   3.8067 4.595734 5.138462 
1 1 1   16   29    2 o   30.366   2.1467  110.145   15.294  123.100   21.675   97.300   21.583   31.965   2.9032   28.301   3.2911 3.664228 4.388590 
1 1 1   16   29    3 o   35.397   2.3405  149.776   19.453  135.700   27.487  163.900   27.534   33.415   3.5375   36.846   3.1962 -3.431244 4.767535 
1 1 1   16   29    4 o   64.264   3.7347  499.549   56.430  496.900   79.796  502.200   79.811   63.287   5.3909   63.643   5.3607 -0.3556671 7.602556 
1 1 1   16   29    5 o   32.644   2.2041  127.333   16.891  147.400   23.957  107.500   23.818   34.983   2.9270   29.710   3.4598 5.273443 4.531817 
1 1 1   16   29    6 o   49.858   2.8534  298.233   33.454  254.000   47.144  343.100   47.480   45.475   4.4472   53.170   3.8069 -7.694740 5.854084 
1 1 1   16   29    7 o   25.740   1.9892   79.195   11.997   76.000   16.954   82.400   16.978   25.033   2.9232   26.106   2.7977 -1.073647 4.046239 
1 1 1   16   29    8 o   73.473   3.8511  655.173   66.583  559.300   93.550  753.600   94.788   66.577   6.0156   77.977   5.1773 -11.40029 7.936687 
1 1 1   16   29    9 o   45.487   2.9058  248.947   31.048  293.700   43.837  203.900   43.981   49.104   3.8104   40.531   4.6814 8.572399 6.036137 
1 1 1   16   29   10 f   47.317   2.9472  269.619   32.766  288.400   46.253  250.700   46.423   48.520   4.0747   45.072   4.4186 3.448288 6.010588 
1 1 1   16   29   11 o   73.682   3.9893  662.774   69.151  575.900   97.283  751.500   98.314   67.124   6.2079   77.428   5.4113 -10.30363 8.235259 
1 1 1   16   29   12 o   41.390   2.5287  205.701   24.596  177.400   34.545  234.800   35.029   37.980   3.9076   43.944   3.4022 -5.963860 5.181143 
1 1 1   16   29   13 o   63.029   3.7437  485.116   55.469  495.000   78.185  475.100   78.708   62.622   5.3383   61.220   5.5033 1.401611 7.667100 
1 1 1   16   29   14 o   41.086   2.5802  203.124   24.906  191.200   34.968  215.400   35.482   39.426   3.8032   41.943   3.6179 -2.517406 5.249127 
1 1 1   16   29   15 o   68.034   3.6546  565.542   58.497  484.700   82.174  648.600   83.293   61.484   5.7257   71.895   4.9361 -10.41079 7.559714 
1 1 1   16   29   16 o   47.440   2.9126  272.379   32.470  265.600   45.682  279.300   46.161   46.225   4.2321   47.449   4.1619 -1.224030 5.935713 
1 1 1   16   29   17 o   33.834   2.3083  137.701   18.331  133.400   25.780  142.100   26.071   32.961   3.3592   34.058   3.2824 -1.096588 4.696626 
1 1 1   16   29   18 o   56.478   3.3198  389.403   44.080  366.100   62.078  413.100   62.602   53.695   4.9518   57.277   4.6691 -3.582184 6.805980 
1 1 1   16   29   19 o   17.548   1.8635   37.124   7.6037   41.600   10.506   32.200   11.019   18.452   2.4733   16.060   3.0165 2.392500 3.900843 
1 1 1   16   29   20 o   9.8266   1.8608   11.889   4.1597   8.2000   6.0017   15.300   5.7705   8.3411   2.6834   11.102   2.2775 -2.761119 3.519609 
1 1 1   16   29   21 o   65.580   3.7794  531.531   58.279  596.400   82.527  467.000   82.312   68.190   5.1635   59.559   5.9315 8.630978 7.864169 
1 1 1   16   29   22 o   66.614   3.9417  551.386   61.726  546.400   87.168  556.400   87.421   64.509   5.7838   65.146   5.7415 -0.6376343 8.149681 
1 1 1   16   29   23 o   12.948   1.6871   20.307   5.0356   21.500   7.1009   19.100   7.1422   13.183   2.3682   12.374   2.5297 0.8085260 3.465191 
1 1 1   16   29   24 o   36.159   2.4155  158.100   20.506  158.000   28.953  158.200   29.047   35.705   3.4782   35.723   3.4880 -0.1809692E-01 4.925853 
1 1 1   16   29   25 o   20.701   1.8613   51.642   9.0011   54.900   12.650   48.300   12.810   21.158   2.5858   19.754   2.8269 1.403841 3.831181 
1 1 1   16   29   26 o   12.810   1.7314   19.954   5.1030   21.700   7.1112   18.100   7.3271   13.219   2.3649   11.986   2.6584 1.233455 3.558092 
1 1 1   16   29   27 o   71.236   4.3128  650.357   72.205  707.200  102.107  593.500  102.121   71.571   6.0999   64.420   6.8168 7.151207 9.147573 
1 1 1   16   29   28 o   25.724   2.0438   80.182   12.312   78.400   17.571   81.900   17.258   25.060   3.0310   25.678   2.8968 -0.6184769 4.192667 
1 1 1   16   29   29 o   51.413   4.8289  352.000   57.939   0.0000   0.0000  352.000   57.939  ?   ?    51.413   4.8289 0.000000 4.828945 
1 1 1   16   29   30 o   16.521   2.6003   34.200   9.8089   0.0000   0.0000   34.200   9.8089  ?   ?    16.521   2.6003 0.000000 2.600332 
1 1 1   16   29   31 o   25.252   2.9582   80.300   17.305   0.0000   0.0000   80.300   17.305  ?   ?    25.252   2.9582 0.000000 2.958217 
1 1 1   16   29   32 o   15.839   2.6531   31.700   9.5720   0.0000   0.0000   31.700   9.5720  ?   ?    15.839   2.6531 0.000000 2.653098 
1 1 1   16   29   33 o   41.223   4.1265  225.400   39.629   0.0000   0.0000  225.400   39.629  ?   ?    41.223   4.1265 0.000000 4.126455 
1 1 1   16   29   34 f   19.953   2.8720   50.700   13.142   0.0000   0.0000   50.700   13.142  ?   ?    19.953   2.8720 0.000000 2.872016 
1 1 1   16   29   35 o   11.608   2.8430   17.600   7.7306   0.0000   0.0000   17.600   7.7306  ?   ?    11.608   2.8430 0.000000 2.842957 
1 1 1   16   29   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   29   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30    0 o   75.890   6.3497  716.800  111.956  716.800  111.956  716.800  111.956   75.890   6.3497   75.890   6.3497 0.000000 0.000000 
1 1 1   16   30    1 o   46.630   2.8131  261.101   30.830  234.700   43.520  287.700   43.682   43.720   4.2699   48.615   3.8363 -4.895000 5.740169 
1 1 1   16   30    2 o   56.028   3.3256  378.954   43.801  391.800   61.934  366.100   61.954   56.370   4.6955   54.389   4.8756 1.981724 6.769053 
1 1 1   16   30    3 o   40.968   2.6048  201.294   25.068  192.600   35.439  210.000   35.463   39.714   3.8264   41.543   3.6521 -1.828979 5.289580 
1 1 1   16   30    4 o   50.892   2.8852  311.282   34.531  378.300   48.970  245.000   48.700   55.799   3.7382   44.465   4.7099 11.33412 6.013069 
1 1 1   16   30    5 o   69.072   3.9422  580.901   64.032  654.800   90.616  507.200   90.494   72.457   5.3337   63.176   6.1437 9.280434 8.135947 
1 1 1   16   30    6 o   65.508   3.8119  521.950   58.710  518.700   83.024  525.200   83.033   64.288   5.5227   64.718   5.4849 -0.4299088 7.783589 
1 1 1   16   30    7 o   49.631   2.9587  296.706   34.518  278.200   48.501  315.700   49.137   47.500   4.3733   50.732   4.1377 -3.232059 6.020487 
1 1 1   16   30    8 o   50.257   3.1068  305.048   36.689  322.200   51.740  287.700   52.034   51.130   4.3260   48.148   4.6339 2.982021 6.339307 
1 1 1   16   30    9 o   38.237   2.4309  175.434   21.835  211.900   30.950  139.300   30.809   41.819   3.1575   33.594   3.9598 8.225182 5.064587 
1 1 1   16   30   10 o   63.973   3.7647  499.639   56.619  498.700   79.596  500.600   80.556   62.828   5.4181   62.902   5.4781 -0.7463837E-01 7.704878 
1 1 1   16   30   11 o   31.528   2.2843  119.340   16.891  127.800   23.697  110.600   24.084   32.402   3.1363   30.022   3.4606 2.379965 4.670339 
1 1 1   16   30   12 o   35.217   2.3243  148.878   19.220  136.100   26.902  162.200   27.468   33.326   3.4694   36.498   3.2202 -3.171577 4.733522 
1 1 1   16   30   13 o   27.134   2.0111   88.244   12.794   75.900   17.947  101.000   18.244   24.883   3.1233   28.874   2.7074 -3.990980 4.133427 
1 1 1   16   30   14 f   38.115   2.5236  175.010   22.585  176.200   31.812  173.800   32.068   37.861   3.6017   37.576   3.6606 0.2849579 5.135349 
1 1 1   16   30   15 o   17.307   1.7676   36.022   7.1227   38.400   10.134   33.700   10.013   17.725   2.4899   16.545   2.6525 1.179163 3.638087 
1 1 1   16   30   16 o   42.885   2.6973  222.306   27.176  213.100   38.241  231.700   38.628   41.438   3.9562   43.293   3.8176 -1.854820 5.497773 
1 1 1   16   30   17 o   10.907   1.8554   14.567   4.6073   2.3000   6.5895   26.300   6.4444   6.6450   2.6946   14.732   1.8966 -8.086811 3.295160 
1 1 1   16   30   18 o   40.285   2.4975  195.802   23.641  175.400   33.079  217.100   33.798   37.605   3.7762   42.038   3.4348 -4.433723 5.104654 
1 1 1   16   30   19 o   39.750   2.5907  191.046   24.184  188.600   33.836  193.600   34.580   39.015   3.7176   39.517   3.7507 -0.5014877 5.280942 
1 1 1   16   30   20 o   48.094   2.9699  281.548   33.563  272.200   47.460  290.900   47.471   46.484   4.3753   48.171   4.2158 -1.687302 6.075849 
1 1 1   16   30   21 o   30.558   2.1740  112.443   15.585  111.300   21.979  113.600   22.104   30.089   3.1397   30.407   3.1228 -0.3185863 4.428254 
1 1 1   16   30   22 o   29.514   2.1601  104.964   14.950   88.100   21.151  121.800   21.134   26.603   3.4481   31.573   2.8659 -4.969908 4.483568 
1 1 1   16   30   23 o   42.988   2.6911  224.476   27.180  263.200   38.475  185.900   38.401   46.090   3.5628   38.261   4.3263 7.828957 5.604500 
1 1 1   16   30   24 f   15.040   1.6972   27.329   5.9222   25.300   8.3329   29.400   8.4182   14.258   2.5695   15.446   2.3848 -1.187800 3.505675 
1 1 1   16   30   25 o   27.452   2.0980   91.095   13.497   99.900   19.040   82.200   19.137   28.478   2.8705   25.663   3.2294 2.814371 4.320718 
1 1 1   16   30   26 o   5.6260   1.7306   3.7876   2.5231   1.4000   3.5236   6.3000   3.6146   4.9293   1.9804   7.1491   2.0405 -2.219861 2.843521 
1 1 1   16   30   27 o   11.080   1.7418   15.047   4.4067   18.300   6.1882   11.700   6.2767   12.122   2.2446   9.6387   2.6673 2.482937 3.486089 
1 1 1   16   30   28 o   50.747   4.7870  342.800   56.686   0.0000   0.0000  342.800   56.686  ?   ?    50.747   4.7870 0.000000 4.786998 
1 1 1   16   30   29 o   1.3433   0.6752  -2.9000   0.9544   0.0000   0.0000  -2.9000   0.9544  ?   ?    1.3433   0.6752 0.000000 0.6751634 
1 1 1   16   30   30 o   38.504   3.8063  192.100   34.154   0.0000   0.0000  192.100   34.154  ?   ?    38.504   3.8063 0.000000 3.806266 
1 1 1   16   30   31 o   2.0519   1.0230  -5.2000   1.9945   0.0000   0.0000  -5.2000   1.9945  ?   ?    2.0519   1.0230 0.000000 1.023025 
1 1 1   16   30   32 o   13.727   2.6587   24.000   8.3063   0.0000   0.0000   24.000   8.3063  ?   ?    13.727   2.6587 0.000000 2.658677 
1 1 1   16   30   33 o   14.974   2.8321   28.800   9.6470   0.0000   0.0000   28.800   9.6470  ?   ?    14.974   2.8321 0.000000 2.832121 
1 1 1   16   30   34 o   6.1645   2.3008   3.7000   4.4975   0.0000   0.0000   3.7000   4.4975  ?   ?    6.1645   2.3008 0.000000 2.300816 
1 1 1   16   30   35 o   8.2557   2.3945   8.7000   4.9409   0.0000   0.0000   8.7000   4.9409  ?   ?    8.2557   2.3945 0.000000 2.394514 
1 1 1   16   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   30   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31    0 o   5.3542   2.5679   5.0000   3.7427   5.0000   3.7427   5.0000   3.7427   5.3542   2.5679   5.3542   2.5679 0.000000 0.000000 
1 1 1   16   31    1 o   8.9949   1.8480   9.9670   3.7940   11.900   5.2186   7.8000   5.5254   9.7942   2.2963   8.1316   2.5704 1.662512 3.446749 
1 1 1   16   31    2 o   64.884   3.6956  512.299   56.388  552.800   80.046  472.400   79.448   66.506   5.1368   61.164   5.5615 5.341801 7.570804 
1 1 1   16   31    3 o   15.450   1.8430   28.772   6.5909   26.200   9.5631   31.100   9.0963   14.527   2.8894   15.944   2.4981 -1.416840 3.819579 
1 1 1   16   31    4 o   48.217   2.9557  280.500   33.491  280.900   47.387  280.100   47.341   47.716   4.2501   47.647   4.2523 0.6936646E-01 6.012172 
1 1 1   16   31    5 o   24.764   1.9643   73.446   11.392   80.000   16.116   66.900   16.107   25.698   2.6959   23.406   2.9820 2.292303 4.019974 
1 1 1   16   31    6 o   61.738   3.4159  462.672   49.605  391.200   69.872  535.300   70.435   55.633   5.3862   65.731   4.5662 -10.09856 7.061287 
1 1 1   16   31    7 o   58.979   3.6836  424.503   51.046  476.400   71.845  371.600   72.539   61.690   4.9743   53.900   5.7899 7.789516 7.633270 
1 1 1   16   31    8 o   60.848   3.3681  449.530   48.206  397.700   67.587  503.200   68.776   56.195   5.1507   63.641   4.6077 -7.446571 6.910903 
1 1 1   16   31    9 f   45.456   2.6984  248.900   28.835  220.300   40.500  278.300   41.062   42.198   4.1168   47.681   3.6753 -5.482712 5.518730 
1 1 1   16   31   10 o   55.465   3.3569  374.208   43.759  401.600   61.820  346.700   61.951   56.714   4.6572   52.410   5.0691 4.304173 6.883719 
1 1 1   16   31   11 f   81.296   4.6618  824.466   89.119  742.000  125.893  907.300  126.174   74.357   7.2627   83.287   6.4662 -8.930618 9.724100 
1 1 1   16   31   12 o   33.038   2.3028  131.245   17.853  130.800   25.103  131.700   25.395   32.677   3.2985   32.780   3.3270 -0.1030006 4.684949 
1 1 1   16   31   13 o   19.086   1.8190   43.770   8.0989   38.000   11.329   49.800   11.582   17.547   2.8306   20.231   2.4761 -2.683479 3.760734 
1 1 1   16   31   14 o   38.141   2.5095  175.434   22.476  173.500   31.654  177.400   31.919   37.513   3.6184   37.940   3.6061 -0.4276428 5.108510 
1 1 1   16   31   15 o   16.707   1.8151   33.642   7.0458   33.400   9.8080   33.900   10.128   16.473   2.6084   16.581   2.6781 -0.1084442 3.738430 
1 1 1   16   31   16 o   46.827   2.9667  266.410   32.634  292.700   46.057  239.900   46.248   48.511   4.0578   43.600   4.5596 4.911510 6.103739 
1 1 1   16   31   17 o   6.5744   2.0097   5.1771   3.4089   4.8000   4.4725   5.7000   5.2661   6.6707   2.3191   7.2467   2.5166 -0.5760188 3.422150 
1 1 1   16   31   18 o   35.527   2.3959  152.275   19.982  166.400   28.284  138.200   28.234   36.808   3.2888   33.372   3.6420 3.436180 4.907211 
1 1 1   16   31   19 o   17.949   1.8456   38.832   7.7110   43.200   10.749   34.200   11.068   18.797   2.4824   16.572   2.9359 2.224674 3.844703 
1 1 1   16   31   20 o   23.490   1.9285   66.359   10.603   62.300   14.921   70.500   15.069   22.505   2.8733   24.013   2.7047 -1.507454 3.946050 
1 1 1   16   31   21 o   45.792   2.8723  255.266   30.901  277.000   43.685  233.500   43.716   47.082   3.9662   42.950   4.3713 4.131535 5.902460 
1 1 1   16   31   22 o   6.9828   1.7477   6.0464   2.8749   6.2000   4.1153   5.9000   4.0180   7.1817   2.2103   7.0265   2.1876 0.1551347 3.109795 
1 1 1   16   31   23 o   8.6036   1.7989   9.1731   3.5371   14.200   4.9908   4.1000   5.0136   10.708   2.0485   6.5642   2.4333 4.143373 3.180790 
1 1 1   16   31   24 o   41.748   2.7049  212.875   26.522  217.200   37.399  208.500   37.618   41.470   3.8636   40.545   3.9804 0.9244881 5.547137 
1 1 1   16   31   25 o   22.667   1.8963   62.073   10.057   75.800   14.237   48.400   14.208   24.885   2.4548   19.580   3.1823 5.304989 4.019071 
1 1 1   16   31   26 o   41.175   3.9572  216.900   38.002   0.0000   0.0000  216.900   38.002  ?   ?    41.175   3.9572 0.000000 3.957217 
1 1 1   16   31   27 o   31.165   3.2765  122.400   23.752   0.0000   0.0000  122.400   23.752  ?   ?    31.165   3.2765 0.000000 3.276542 
1 1 1   16   31   28 o   9.7309   2.4294   12.000   5.5652   0.0000   0.0000   12.000   5.5652  ?   ?    9.7309   2.4294 0.000000 2.429435 
1 1 1   16   31   29 o   15.329   2.5291   29.500   8.8354   0.0000   0.0000   29.500   8.8354  ?   ?    15.329   2.5291 0.000000 2.529104 
1 1 1   16   31   30 o   7.9173   2.3352   7.8000   4.6641   0.0000   0.0000   7.8000   4.6641  ?   ?    7.9173   2.3352 0.000000 2.335166 
1 1 1   16   31   31 o   22.802   3.0344   66.100   15.933   0.0000   0.0000   66.100   15.933  ?   ?    22.802   3.0344 0.000000 3.034410 
1 1 1   16   31   32 o   23.706   3.0674   71.800   16.768   0.0000   0.0000   71.800   16.768  ?   ?    23.706   3.0674 0.000000 3.067351 
1 1 1   16   31   33 o   20.559   2.8900   54.100   13.643   0.0000   0.0000   54.100   13.643  ?   ?    20.559   2.8900 0.000000 2.890011 
1 1 1   16   31   34 o   19.034   2.7972   46.700   12.197   0.0000   0.0000   46.700   12.197  ?   ?    19.034   2.7972 0.000000 2.797194 
1 1 1   16   31   35 o   12.538   2.6533   20.700   7.6108   0.0000   0.0000   20.700   7.6108  ?   ?    12.538   2.6533 0.000000 2.653326 
1 1 1   16   31   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   31   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32    0 o   85.595   7.2287  932.400  143.709  932.400  143.709  932.400  143.709   85.595   7.2287   85.595   7.2287 0.000000 0.000000 
1 1 1   16   32    1 o   55.850   3.3064  378.545   43.412  398.400   61.480  358.800   61.309   56.573   4.6431   53.510   4.9067 3.062222 6.755313 
1 1 1   16   32    2 o   48.029   2.9494  278.691   33.288  283.300   47.123  274.100   47.031   47.871   4.2115   47.048   4.2801 0.8231888 6.004714 
1 1 1   16   32    3 o   68.374   4.0051  573.919   64.382  549.900   91.086  597.900   91.015   65.437   5.9601   68.500   5.6779 -3.063309 8.231744 
1 1 1   16   32    4 o   29.584   2.1481  104.965   14.904  112.700   21.126   97.300   21.029   30.450   2.9762   28.204   3.2150 2.246075 4.381093 
1 1 1   16   32    5 o   38.826   2.5463  181.417   23.216  182.900   32.647  179.900   33.021   38.618   3.6225   38.266   3.7005 0.3510666 5.178421 
1 1 1   16   32    6 o   22.254   1.9029   59.396   9.9034   59.200   13.852   59.600   14.165   22.041   2.7190   22.102   2.7752 -0.6098175E-01 3.885169 
1 1 1   16   32    7 o   94.147   5.2413  1119.21  116.060  1018.20  163.460  1221.90  164.816   85.968   8.1495   95.438   7.3704 -9.469856 10.98807 
1 1 1   16   32    8 o   19.876   1.7130   47.324   7.9612   26.600   11.097   69.300   11.428   14.535   3.3076   24.020   2.0339 -9.484350 3.882872 
1 1 1   16   32    9 o   46.642   2.9055  263.360   31.842  264.900   44.890  261.800   45.173   46.189   4.1604   45.886   4.2162 0.3029175 5.923264 
1 1 1   16   32   10 o   66.733   3.9443  548.873   61.879  559.700   87.419  538.000   87.602   65.949   5.6686   64.516   5.8126 1.433159 8.119054 
1 1 1   16   32   11 o   22.436   1.9117   60.437   10.031   58.900   14.129   62.000   14.245   21.943   2.7899   22.536   2.7327 -0.5935116 3.905298 
1 1 1   16   32   12 o   10.646   1.7231   13.828   4.1838   3.3000   5.7699   25.500   6.0754   6.6055   2.5714   14.521   1.8111 -7.915860 3.145170 
1 1 1   16   32   13 o   20.264   1.8968   49.385   8.9707   53.600   12.635   45.100   12.739   20.956   2.6098   19.116   2.9142 1.839466 3.912022 
1 1 1   16   32   14 o   15.649   1.8265   29.573   6.6226   28.100   9.1422   31.200   9.6066   15.064   2.6677   15.896   2.6527 -0.8322964 3.762139 
1 1 1   16   32   15 o   21.839   1.9063   57.326   9.7325   51.700   13.676   63.100   13.854   20.487   2.9085   22.749   2.6273 -2.261969 3.919469 
1 1 1   16   32   16 o   22.557   1.9199   61.164   10.129   58.700   14.221   63.700   14.430   21.871   2.8193   22.822   2.7320 -0.9510937 3.925889 
1 1 1   16   32   17 o   32.588   2.3310  128.073   17.819  140.200   25.074  115.700   25.327   33.808   3.1781   30.530   3.5812 3.278036 4.788019 
1 1 1   16   32   18 o   41.328   2.7620  207.389   26.799  256.300   37.828  158.100   37.973   45.572   3.5430   35.144   4.6931 10.42868 5.880269 
1 1 1   16   32   19 f   49.484   2.9347  298.113   34.139  244.700   48.173  352.000   48.387   43.765   4.7370   53.202   3.8783 -9.436428 6.122131 
1 1 1   16   32   20 o   60.354   3.6064  450.778   51.163  439.800   72.283  461.800   72.428   58.074   5.3305   59.658   5.1932 -1.583874 7.442013 
1 1 1   16   32   21 o   16.188   1.7870   31.676   6.7173   36.300   9.4236   26.900   9.5776   17.200   2.3844   14.635   2.8739 2.564399 3.734242 
1 1 1   16   32   22 o   13.026   1.7181   20.607   5.1556   28.100   7.2636   13.000   7.3190   15.161   2.0839   10.187   2.9022 4.974417 3.572882 
1 1 1   16   32   23 o   16.906   1.7480   34.539   6.8772   36.100   9.7617   33.000   9.6904   17.094   2.4916   16.296   2.6061 0.7981529 3.605589 
1 1 1   16   32   24 o   56.764   5.2626  431.500   69.737   0.0000   0.0000  431.500   69.737  ?   ?    56.764   5.2626 0.000000 5.262560 
1 1 1   16   32   25 o   16.673   2.5713   34.600   9.7981   0.0000   0.0000   34.600   9.7981  ?   ?    16.673   2.5713 0.000000 2.571318 
1 1 1   16   32   26 o   10.999   2.4573   15.300   6.2212   0.0000   0.0000   15.300   6.2212  ?   ?    10.999   2.4573 0.000000 2.457288 
1 1 1   16   32   27 o   29.721   3.1912  111.500   22.045   0.0000   0.0000  111.500   22.045  ?   ?    29.721   3.1912 0.000000 3.191178 
1 1 1   16   32   28 o   17.507   2.6066   38.400   10.447   0.0000   0.0000   38.400   10.447  ?   ?    17.507   2.6066 0.000000 2.606624 
1 1 1   16   32   29 o   14.214   2.5579   25.500   8.2696   0.0000   0.0000   25.500   8.2696  ?   ?    14.214   2.5579 0.000000 2.557889 
1 1 1   16   32   30 o   9.9596   2.6802   12.700   6.4422   0.0000   0.0000   12.700   6.4422  ?   ?    9.9596   2.6802 0.000000 2.680238 
1 1 1   16   32   31 o   19.967   2.8777   50.700   13.176   0.0000   0.0000   50.700   13.176  ?   ?    19.967   2.8777 0.000000 2.877737 
1 1 1   16   32   32 o   46.419   4.8083  303.800   51.941   0.0000   0.0000  303.800   51.941  ?   ?    46.419   4.8083 0.000000 4.808327 
1 1 1   16   32   33 o   29.752   3.3870  116.900   23.371   0.0000   0.0000  116.900   23.371  ?   ?    29.752   3.3870 0.000000 3.387028 
1 1 1   16   32   34 o   8.6087   2.7662   9.5000   6.3793   0.0000   0.0000   9.5000   6.3793  ?   ?    8.6087   2.7662 0.000000 2.766220 
1 1 1   16   32   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   32   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   33    0 o   58.228   5.0543  421.700   68.291  421.700   68.291  421.700   68.291   58.228   5.0543   58.228   5.0543 0.000000 0.000000 
1 1 1   16   33    1 o   98.069   5.7941  1234.54  133.581  1204.40  189.039  1264.60  188.786   92.257   8.7834   95.029   8.5028 -2.772057 12.22485 
1 1 1   16   33    2 o   31.611   2.1858  119.949   16.216  137.600   22.999  102.500   22.867   33.659   2.9227   28.858   3.4224 4.801571 4.500551 
1 1 1   16   33    3 o   20.102   1.9559   48.615   9.1670   51.800   12.573   45.000   13.394   20.605   2.6452   19.071   3.0791 1.533489 4.059265 
1 1 1   16   33    4 f   37.145   2.5035  166.209   21.830  158.700   30.995  173.600   30.752   35.868   3.7133   37.615   3.5024 -1.747654 5.104488 
1 1 1   16   33    5 o   39.345   2.4873  186.384   22.990  171.600   32.229  201.700   32.804   37.305   3.7077   40.579   3.4564 -3.274250 5.068907 
1 1 1   16   33    6 o   44.948   2.7370  244.046   28.912  228.600   40.561  260.000   41.223   42.927   4.0492   45.911   3.8376 -2.983753 5.578863 
1 1 1   16   33    7 o   39.266   2.6458  186.211   24.389  210.300   34.343  161.700   34.642   41.381   3.5488   35.988   4.1527 5.393021 5.462509 
1 1 1   16   33    8 o   36.214   2.3189  157.706   19.726  129.300   27.708  186.900   28.089   32.315   3.6977   39.184   3.0601 -6.869167 4.799667 
1 1 1   16   33    9 f   11.175   1.9575   15.321   4.9772   21.100   6.8607   8.9000   7.2316   13.089   2.3038   8.8187   2.9517 4.270517 3.744344 
1 1 1   16   33   10 o   45.480   2.8702  250.677   30.666  254.800   43.229  246.500   43.510   45.264   4.0886   44.458   4.1941 0.8064499 5.857187 
1 1 1   16   33   11 o   17.731   1.7863   37.821   7.3776   43.300   10.461   32.400   10.406   18.854   2.4045   16.165   2.8293 2.689051 3.713005 
1 1 1   16   33   12 o   21.464   1.9357   55.405   9.7056   61.200   13.606   49.400   13.849   22.406   2.6211   19.989   3.0290 2.417372 4.005588 
1 1 1   16   33   13 o   30.530   2.1873  112.134   15.664  101.800   22.135  122.500   22.170   28.731   3.3240   31.666   3.0006 -2.935513 4.478037 
1 1 1   16   33   14 o   57.730   3.3620  407.880   45.633  367.400   64.245  449.100   64.829   53.536   5.1453   59.658   4.6384 -6.121593 6.927373 
1 1 1   16   33   15 o   51.299   3.1506  321.129   37.981  317.600   53.556  324.700   53.871   50.133   4.5744   50.714   4.5468 -0.5804863 6.449698 
1 1 1   16   33   16 o   20.663   1.8285   51.322   8.8297   40.100   12.288   63.300   12.696   17.955   3.0044   22.834   2.3901 -4.878519 3.839170 
1 1 1   16   33   17 o   20.939   1.8866   52.764   9.2281   50.600   12.808   55.100   13.308   20.289   2.7436   21.192   2.7222 -0.9032936 3.864958 
1 1 1   16   33   18 o   68.843   4.1696  594.350   67.463  623.700   95.166  564.700   95.650   68.526   5.9400   64.695   6.3427 3.830124 8.689820 
1 1 1   16   33   19 o   70.684   4.2160  629.798   70.049  663.400   99.067  596.200   99.062   70.301   6.0259   66.091   6.4288 4.209328 8.811460 
1 1 1   16   33   20 o   8.3922   1.8081   8.7379   3.4773   9.0000   5.0414   8.5000   4.8027   8.5182   2.4024   8.2860   2.3476 0.2322121 3.358939 
1 1 1   16   33   21 o   39.653   2.5814  191.529   24.039  195.300   34.090  187.800   33.904   39.416   3.7062   38.608   3.7668 0.8078346 5.284388 
1 1 1   16   33   22 o   32.248   3.3279  130.000   24.977   0.0000   0.0000  130.000   24.977  ?   ?    32.248   3.3279 0.000000 3.327887 
1 1 1   16   33   23 o   7.5222   2.2806   6.9000   4.4028   0.0000   0.0000   6.9000   4.4028  ?   ?    7.5222   2.2806 0.000000 2.280618 
1 1 1   16   33   24 o   38.620   3.7809  190.500   34.037   0.0000   0.0000  190.500   34.037  ?   ?    38.620   3.7809 0.000000 3.780885 
1 1 1   16   33   25 o   40.776   3.9648  214.800   37.693   0.0000   0.0000  214.800   37.693  ?   ?    40.776   3.9648 0.000000 3.964848 
1 1 1   16   33   26 o   17.845   2.6624   39.900   10.876   0.0000   0.0000   39.900   10.876  ?   ?    17.845   2.6624 0.000000 2.662388 
1 1 1   16   33   27 o   27.690   3.0785   96.700   19.788   0.0000   0.0000   96.700   19.788  ?   ?    27.690   3.0785 0.000000 3.078544 
1 1 1   16   33   28 o   31.485   3.3211  126.200   24.319   0.0000   0.0000  126.200   24.319  ?   ?    31.485   3.3211 0.000000 3.321097 
1 1 1   16   33   29 o   6.1783   2.0682   4.4000   3.5504   0.0000   0.0000   4.4000   3.5504  ?   ?    6.1783   2.0682 0.000000 2.068210 
1 1 1   16   33   30 o   26.335   3.1286   88.600   19.075   0.0000   0.0000   88.600   19.075  ?   ?    26.335   3.1286 0.000000 3.128612 
1 1 1   16   33   31 o   30.572   3.4455  122.200   24.439   0.0000   0.0000  122.200   24.439  ?   ?    30.572   3.4455 0.000000 3.445467 
1 1 1   16   33   32 o   19.590   3.0161   50.100   13.505   0.0000   0.0000   50.100   13.505  ?   ?    19.590   3.0161 0.000000 3.016079 
1 1 1   16   33   33 o   24.233   3.0976   77.900   17.320   0.0000   0.0000   77.900   17.320  ?   ?    24.233   3.0976 0.000000 3.097627 
1 1 1   16   33   34 o   19.329   2.9733   50.200   13.136   0.0000   0.0000   50.200   13.136  ?   ?    19.329   2.9733 0.000000 2.973259 
1 1 1   16   33   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   33   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   33   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   33   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   33   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34    0 f   52.503   4.6509  342.100   56.620  342.100   56.620  342.100   56.620   52.503   4.6509   52.503   4.6509 0.000000 0.000000 
1 1 1   16   34    1 o   51.017   3.0367  315.875   36.417  267.900   51.408  364.200   51.595   46.039   4.7993   54.229   4.0586 -8.190742 6.285301 
1 1 1   16   34    2 o   29.564   2.1274  104.964   14.752   96.700   20.756  113.400   20.971   28.074   3.1874   30.507   2.9478 -2.432512 4.341581 
1 1 1   16   34    3 o   3.7357   1.6452  -0.8043   2.8194   2.4000   3.8524  -4.5000   4.1372   5.4882   2.1109   3.8012   1.7894 1.686993 2.767274 
1 1 1   16   34    4 o   3.8835   1.5568   0.8460   2.1721   0.8000   2.9548   0.9000   3.2038   4.3868   1.7947   4.5782   1.8704 -0.1914215 2.592155 
1 1 1   16   34    5 o   29.560   2.1348  104.961   14.801  100.400   20.628  109.800   21.248   28.636   3.1001   29.979   3.0438 -1.342644 4.344550 
1 1 1   16   34    6 o   43.084   2.6232  224.060   26.560  198.900   37.314  249.900   37.815   40.004   4.0038   45.096   3.5806 -5.091850 5.371328 
1 1 1   16   34    7 o   16.423   1.8421   32.535   7.0208   32.100   9.3378   33.100   10.649   16.163   2.5295   16.336   2.8650 -0.1722927 3.821833 
1 1 1   16   34    8 o   28.831   2.1357   99.907   14.436  100.400   20.279   99.400   20.555   28.645   3.0446   28.480   3.1069 0.1647053 4.349987 
1 1 1   16   34    9 o   13.156   1.8692   21.038   5.6438   23.400   7.8420   18.500   8.1289   13.752   2.5072   12.139   2.8793 1.612778 3.817961 
1 1 1   16   34   10 o   63.514   3.4950  494.412   52.216  433.300   73.150  557.900   74.559   57.995   5.4036   66.441   4.7843 -8.445084 7.217283 
1 1 1   16   34   11 o   18.290   1.7960   40.240   7.6569   33.900   10.659   47.000   11.006   16.537   2.8315   19.644   2.4242 -3.107536 3.727457 
1 1 1   16   34   12 o   34.195   2.2285  140.656   17.896  108.000   25.178  174.000   25.442   29.451   3.7023   37.830   2.8695 -8.379189 4.684103 
1 1 1   16   34   13 o   26.356   2.0993   83.620   12.957   95.500   18.233   71.500   18.416   27.979   2.7972   23.998   3.3404 3.981350 4.356911 
1 1 1   16   34   14 o   34.789   2.2255  145.652   18.187  106.200   25.469  186.700   25.979   29.140   3.7912   39.190   2.8263 -10.05002 4.728765 
1 1 1   16   34   15 o   41.643   2.6828  210.265   26.240  207.000   36.916  213.600   37.305   40.740   3.8844   41.403   3.8602 -0.6627579 5.476250 
1 1 1   16   34   16 o   47.609   2.7348  275.237   30.616  228.200   42.742  324.800   43.875   42.460   4.3233   51.190   3.6536 -8.730125 5.660384 
1 1 1   16   34   17 o   31.642   2.2833  121.027   16.946  122.400   23.740  119.600   24.196   31.457   3.2423   31.043   3.3541 0.4140606 4.665045 
1 1 1   16   34   18 o   20.730   1.8601   51.808   9.0086   50.200   12.773   53.400   12.707   20.158   2.7556   20.837   2.6419 -0.6788197 3.817449 
1 1 1   16   34   19 o   33.953   2.3386  139.753   18.636  141.000   26.322  138.500   26.388   33.650   3.3574   33.326   3.4009 0.3243217 4.778929 
1 1 1   16   34   20 o   26.584   2.0579   85.459   12.817   68.000   18.131  102.900   18.122   23.209   3.4100   28.959   2.6804 -5.750107 4.337373 
1 1 1   16   34   21 o   29.208   3.1452  106.300   21.350   0.0000   0.0000  106.300   21.350  ?   ?    29.208   3.1452 0.000000 3.145166 
1 1 1   16   34   22 o   27.614   3.0737   95.200   19.702   0.0000   0.0000   95.200   19.702  ?   ?    27.614   3.0737 0.000000 3.073663 
1 1 1   16   34   23 o   58.508   5.5531  472.600   75.801   0.0000   0.0000  472.600   75.801  ?   ?    58.508   5.5531 0.000000 5.553082 
1 1 1   16   34   24 o   13.552   2.5139   23.100   7.7486   0.0000   0.0000   23.100   7.7486  ?   ?    13.552   2.5139 0.000000 2.513885 
1 1 1   16   34   25 o   4.3498   1.7959   0.7000   2.9927   0.0000   0.0000   0.7000   2.9927  ?   ?    4.3498   1.7959 0.000000 1.795864 
1 1 1   16   34   26 o   39.389   3.8810  201.200   35.628   0.0000   0.0000  201.200   35.628  ?   ?    39.389   3.8810 0.000000 3.880963 
1 1 1   16   34   27 o   17.233   2.6202   37.300   10.327   0.0000   0.0000   37.300   10.327  ?   ?    17.233   2.6202 0.000000 2.620248 
1 1 1   16   34   28 o   34.122   3.5228  150.200   27.976   0.0000   0.0000  150.200   27.976  ?   ?    34.122   3.5228 0.000000 3.522820 
1 1 1   16   34   29 f   8.9878   2.7067   10.200   6.2169   0.0000   0.0000   10.200   6.2169  ?   ?    8.9878   2.7067 0.000000 2.706725 
1 1 1   16   34   30 o   10.882   2.7240   15.400   6.9832   0.0000   0.0000   15.400   6.9832  ?   ?    10.882   2.7240 0.000000 2.723960 
1 1 1   16   34   31 o   14.620   2.9049   28.100   9.6748   0.0000   0.0000   28.100   9.6748  ?   ?    14.620   2.9049 0.000000 2.904864 
1 1 1   16   34   32 o   12.684   2.7799   21.400   8.0961   0.0000   0.0000   21.400   8.0961  ?   ?    12.684   2.7799 0.000000 2.779904 
1 1 1   16   34   33 o   19.425   2.9787   50.800   13.227   0.0000   0.0000   50.800   13.227  ?   ?    19.425   2.9787 0.000000 2.978673 
1 1 1   16   34   34 o   6.9648   2.6437   5.2000   5.9928   0.0000   0.0000   5.2000   5.9928  ?   ?    6.9648   2.6437 0.000000 2.643660 
1 1 1   16   34   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   34   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   35    0 o   27.378   3.1519   93.100   19.675   93.100   19.675   93.100   19.675   27.378   3.1519   27.378   3.1519 0.000000 0.000000 
1 1 1   16   35    1 f   42.548   2.6432  218.684   26.426  200.700   37.053  237.300   37.698   40.196   3.9550   43.880   3.6720 -3.683731 5.396811 
1 1 1   16   35    2 o   47.665   2.7846  274.917   31.205  239.900   43.744  311.200   44.528   43.791   4.2852   50.221   3.7825 -6.429916 5.715819 
1 1 1   16   35    3 o   56.534   3.3504  390.481   44.528  466.400   63.042  314.900   62.902   61.078   4.4005   49.371   5.4884 11.70738 7.034637 
1 1 1   16   35    4 o   27.492   2.1743   90.970   14.000  101.200   19.549   80.200   20.058   28.796   2.9151   25.439   3.4262 3.357407 4.498526 
1 1 1   16   35    5 o   26.134   2.0310   82.057   12.435   77.200   17.422   87.100   17.754   25.087   3.0005   26.711   2.8591 -1.623499 4.144588 
1 1 1   16   35    6 o   26.002   2.0931   81.324   12.743   97.000   17.923   65.300   18.121   28.245   2.7210   22.901   3.4586 5.343102 4.400624 
1 1 1   16   35    7 o   28.294   2.2628   96.486   14.991  122.300   21.027   69.800   21.379   31.703   2.8389   23.500   3.9958 8.202923 4.901578 
1 1 1   16   35    8 o   47.260   2.9838  271.506   33.128  328.400   46.806  214.400   46.893   51.500   3.8773   40.948   4.9501 10.55112 6.287878 
1 1 1   16   35    9 o   41.002   2.6211  203.312   25.245  197.900   35.579  208.800   35.827   39.927   3.8204   41.063   3.7356 -1.136574 5.343240 
1 1 1   16   35   10 o   63.370   3.7204  495.364   55.428  470.900   78.093  520.200   78.683   60.232   5.5531   63.588   5.2882 -3.355267 7.668255 
1 1 1   16   35   11 o   72.044   4.3148  649.425   73.066  678.100  103.107  620.500  103.557   71.588   6.1593   68.024   6.5271 3.564262 8.974390 
1 1 1   16   35   12 o   43.743   2.7771  232.251   28.537  232.800   40.313  231.700   40.401   43.176   3.9995   43.061   4.0197 0.1148911 5.670403 
1 1 1   16   35   13 o   37.367   2.3602  168.503   20.719  128.500   29.140  209.400   29.464   31.980   3.9422   41.390   3.0359 -9.409721 4.975708 
1 1 1   16   35   14 o   2.4782   1.1137  -0.6691   1.3605   2.3000   1.4888 -15.7000   3.3498   4.3865   1.3254  ?   ?  0.000000 1.325363 
1 1 1   16   35   15 o   13.849   1.8264   23.302   5.8269   12.500   8.0014   35.500   8.5024   10.079   3.0787   17.066   2.1580 -6.987526 3.759694 
1 1 1   16   35   16 o   33.159   2.2985  133.034   17.886  127.100   25.157  139.100   25.436   31.963   3.3846   33.514   3.2552 -1.550686 4.695921 
1 1 1   16   35   17 o   34.302   2.3830  142.751   19.182  145.900   26.914  139.500   27.347   34.229   3.3736   33.387   3.5218 0.8422928 4.876947 
1 1 1   16   35   18 f   14.284   1.8033   24.794   5.9467   32.900   8.4393   16.800   8.3808   16.375   2.2414   11.496   3.0405 4.879093 3.777378 
1 1 1   16   35   19 o   15.260   2.5637   29.000   8.9103   0.0000   0.0000   29.000   8.9103  ?   ?    15.260   2.5637 0.000000 2.563704 
1 1 1   16   35   20 o   33.151   3.3990  138.100   26.232   0.0000   0.0000  138.100   26.232  ?   ?    33.151   3.3990 0.000000 3.398995 
1 1 1   16   35   21 o   22.061   2.7937   60.600   14.227   0.0000   0.0000   60.600   14.227  ?   ?    22.061   2.7937 0.000000 2.793658 
1 1 1   16   35   22 o   26.304   2.9955   86.600   18.274   0.0000   0.0000   86.600   18.274  ?   ?    26.304   2.9955 0.000000 2.995543 
1 1 1   16   35   23 o   32.241   3.3511  131.700   25.140   0.0000   0.0000  131.700   25.140  ?   ?    32.241   3.3511 0.000000 3.351121 
1 1 1   16   35   24 o   34.135   3.4904  148.600   27.739   0.0000   0.0000  148.600   27.739  ?   ?    34.135   3.4904 0.000000 3.490442 
1 1 1   16   35   25 o   30.574   3.2643  118.500   23.203   0.0000   0.0000  118.500   23.203  ?   ?    30.574   3.2643 0.000000 3.264344 
1 1 1   16   35   26 o   10.657   2.5530   14.500   6.3400   0.0000   0.0000   14.500   6.3400  ?   ?    10.657   2.5530 0.000000 2.552984 
1 1 1   16   35   27 o   27.328   3.0978   94.900   19.637   0.0000   0.0000   94.900   19.637  ?   ?    27.328   3.0978 0.000000 3.097790 
1 1 1   16   35   28 o   3.5567   1.6654  -3.4000   3.5032   0.0000   0.0000  -3.4000   3.5032  ?   ?    3.5567   1.6654 0.000000 1.665422 
1 1 1   16   35   29 o   15.992   2.7997   33.000   10.188   0.0000   0.0000   33.000   10.188  ?   ?    15.992   2.7997 0.000000 2.799738 
1 1 1   16   35   30 o   23.882   3.1105   74.900   17.126   0.0000   0.0000   74.900   17.126  ?   ?    23.882   3.1105 0.000000 3.110529 
1 1 1   16   35   31 o   6.9457   2.6333   4.9000   5.9415   0.0000   0.0000   4.9000   5.9415  ?   ?    6.9457   2.6333 0.000000 2.633307 
1 1 1   16   35   32 o   9.0367   2.7133   10.900   6.2540   0.0000   0.0000   10.900   6.2540  ?   ?    9.0367   2.7133 0.000000 2.713267 
1 1 1   16   35   33 o   12.182   2.9538   20.600   8.4091   0.0000   0.0000   20.600   8.4091  ?   ?    12.182   2.9538 0.000000 2.953766 
1 1 1   16   35   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   35   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   35   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   36    0 o   34.358   3.4627  145.900   27.439  145.900   27.439  145.900   27.439   34.358   3.4627   34.358   3.4627 0.000000 0.000000 
1 1 1   16   36    1 o   64.913   3.7787  519.753   57.671  610.700   81.784  429.800   81.336   69.259   5.0351   57.064   6.1324 12.19572 7.934613 
1 1 1   16   36    2 o   61.869   3.7485  472.035   54.505  443.000   77.262  500.800   76.902   58.361   5.6782   62.475   5.2618 -4.113125 7.741374 
1 1 1   16   36    3 o   23.532   1.9085   66.499   10.514   59.700   14.710   73.600   15.032   22.041   2.8964   24.587   2.6299 -2.545563 3.912260 
1 1 1   16   36    4 o   24.256   2.0766   70.845   11.780   57.200   16.718   84.300   16.601   21.405   3.4228   26.307   2.7113 -4.901674 4.366540 
1 1 1   16   36    5 o   36.425   2.4480  160.114   20.934  170.300   29.585  149.900   29.626   37.205   3.4052   34.778   3.6625 2.427387 5.000938 
1 1 1   16   36    6 o   38.565   2.3007  178.971   20.856  137.000   28.990  224.000   30.027   33.184   3.7662   42.896   2.9829 -9.711975 4.804389 
1 1 1   16   36    7 o   16.926   1.7724   34.506   6.9788   26.900   9.6348   42.900   10.122   14.672   2.8838   18.771   2.3340 -4.099073 3.709952 
1 1 1   16   36    8 f   16.920   1.8589   34.558   7.3045   36.500   9.9615   32.300   10.743   17.243   2.5210   16.094   2.9350 1.149134 3.869056 
1 1 1   16   36    9 o   70.145   4.0168  612.576   66.257  561.500   93.318  664.500   94.090   64.946   6.1585   71.333   5.6317 -6.386093 8.345216 
1 1 1   16   36   10 o   45.518   2.8343  252.022   30.313  239.200   42.740  265.000   43.000   43.586   4.2048   46.028   3.9959 -2.442356 5.800653 
1 1 1   16   36   11 o   17.996   1.8768   39.106   7.8583   42.900   10.837   34.900   11.412   18.702   2.5180   16.702   3.0039 1.999514 3.919637 
1 1 1   16   36   12 o   55.797   3.3460  383.632   43.883  366.300   61.677  401.400   62.450   53.211   4.9661   55.895   4.7773 -2.684536 6.890911 
1 1 1   16   36   13 o   12.900   1.7621   20.229   5.2273   22.300   7.4302   18.200   7.3555   13.400   2.4380   12.033   2.6593 1.366401 3.607784 
1 1 1   16   36   14 o   5.9337   1.9207   4.0945   3.0712   5.8000   4.0550   1.8000   4.7035   6.9820   2.2014   5.6654   2.2839 1.316608 3.172117 
1 1 1   16   36   15 o   23.602   1.9628   67.251   10.840   67.300   15.190   67.200   15.474   23.346   2.8120   23.307   2.8724 0.3933144E-01 4.019718 
1 1 1   16   36   16 o   40.990   2.7205  205.481   26.183  231.600   36.936  179.100   37.121   42.931   3.6791   37.316   4.2909 5.614803 5.652206 
1 1 1   16   36   17 o   35.021   3.5079  154.000   28.619   0.0000   0.0000  154.000   28.619  ?   ?    35.021   3.5079 0.000000 3.507889 
1 1 1   16   36   18 o   21.563   2.7547   57.700   13.706   0.0000   0.0000   57.700   13.706  ?   ?    21.563   2.7547 0.000000 2.754721 
1 1 1   16   36   19 o   20.808   2.7042   53.800   12.974   0.0000   0.0000   53.800   12.974  ?   ?    20.808   2.7042 0.000000 2.704235 
1 1 1   16   36   20 o   11.761   2.5471   17.500   6.8692   0.0000   0.0000   17.500   6.8692  ?   ?    11.761   2.5471 0.000000 2.547116 
1 1 1   16   36   21 o   2.3225   1.1045  -2.1000   1.6538   0.0000   0.0000  -2.1000   1.6538  ?   ?    2.3225   1.1045 0.000000 1.104491 
1 1 1   16   36   22 o   27.759   3.0837   96.900   19.872   0.0000   0.0000   96.900   19.872  ?   ?    27.759   3.0837 0.000000 3.083683 
1 1 1   16   36   23 o   14.328   2.6152   25.900   8.5217   0.0000   0.0000   25.900   8.5217  ?   ?    14.328   2.6152 0.000000 2.615166 
1 1 1   16   36   24 o   23.488   2.8700   69.300   15.587   0.0000   0.0000   69.300   15.587  ?   ?    23.488   2.8700 0.000000 2.870003 
1 1 1   16   36   25 o   2.1262   1.0421  -3.5000   1.7730   0.0000   0.0000  -3.5000   1.7730  ?   ?    2.1262   1.0421 0.000000 1.042050 
1 1 1   16   36   26 o   8.2439   2.4606   8.5000   5.1547   0.0000   0.0000   8.5000   5.1547  ?   ?    8.2439   2.4606 0.000000 2.460616 
1 1 1   16   36   27 o   10.202   2.5356   13.400   6.0817   0.0000   0.0000   13.400   6.0817  ?   ?    10.202   2.5356 0.000000 2.535551 
1 1 1   16   36   28 o   4.0385   1.7425  -0.2000   3.0280   0.0000   0.0000  -0.2000   3.0280  ?   ?    4.0385   1.7425 0.000000 1.742451 
1 1 1   16   36   29 o   10.679   2.5073   14.900   6.2146   0.0000   0.0000   14.900   6.2146  ?   ?    10.679   2.5073 0.000000 2.507303 
1 1 1   16   36   30 o   15.125   2.8345   30.400   9.7514   0.0000   0.0000   30.400   9.7514  ?   ?    15.125   2.8345 0.000000 2.834532 
1 1 1   16   36   31 o   6.9695   2.6003   5.3000   5.7434   0.0000   0.0000   5.3000   5.7434  ?   ?    6.9695   2.6003 0.000000 2.600282 
1 1 1   16   36   32 o   7.0144   2.5541   5.7000   5.4846   0.0000   0.0000   5.7000   5.4846  ?   ?    7.0144   2.5541 0.000000 2.554111 
1 1 1   16   36   33 o   8.7312   2.5485   10.300   5.5810   0.0000   0.0000   10.300   5.5810  ?   ?    8.7312   2.5485 0.000000 2.548516 
1 1 1   16   36   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   36   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   37    0 o   92.147   8.1246  1126.50  173.624  1126.50  173.624  1126.50  173.624   92.147   8.1246   92.147   8.1246 0.000000 0.000000 
1 1 1   16   37    1 o   20.352   1.9134   49.892   9.0877   67.000   12.836   32.700   12.868   23.508   2.3437   16.046   3.4949 7.461466 4.207967 
1 1 1   16   37    2 o   40.925   2.6509  202.954   25.480  219.000   36.143  187.100   35.927   42.033   3.6785   38.666   3.9923 3.367138 5.428647 
1 1 1   16   37    3 o   30.141   2.2010  109.479   15.557  100.900   21.973  118.100   22.028   28.562   3.3199   31.033   3.0452 -2.471684 4.504961 
1 1 1   16   37    4 o   20.903   1.8786   52.587   9.1740   50.400   12.936   54.800   13.013   20.234   2.7809   21.146   2.6652 -0.9123154 3.851861 
1 1 1   16   37    5 f   32.332   2.1376  125.810   16.228  104.600   22.621  148.300   23.293   29.056   3.3588   34.867   2.8541 -5.810844 4.407710 
1 1 1   16   37    6 o   30.496   2.2018  112.150   15.749  101.700   22.272  122.600   22.272   28.636   3.3575   31.609   3.0207 -2.973566 4.516301 
1 1 1   16   37    7 f   31.000   2.2208  115.965   16.149  109.500   22.607  122.700   23.075   29.746   3.2727   31.562   3.1378 -1.815882 4.533857 
1 1 1   16   37    8 o   49.008   3.0434  293.950   35.046  300.400   49.562  287.500   49.562   48.663   4.3593   47.516   4.4697 1.146305 6.243577 
1 1 1   16   37    9 o   4.7796   1.8863   1.5365   3.1411   1.6000   3.8020   1.4000   5.5749   5.1572   2.0624   5.9545   2.4539 -0.7972569 3.205499 
1 1 1   16   37   10 o   21.191   1.9222   54.172   9.5139   53.300   13.249   55.100   13.670   20.784   2.7684   21.124   2.8101 -0.3400497 3.944741 
1 1 1   16   37   11 o   19.494   1.8768   45.885   8.5326   48.800   12.098   43.000   12.036   19.903   2.6393   18.605   2.8287 1.297705 3.868773 
1 1 1   16   37   12 o   39.769   2.5561  192.422   23.877  173.400   33.611  211.800   33.924   37.025   3.9033   41.199   3.5209 -4.174274 5.256649 
1 1 1   16   37   13 o   36.969   2.2163  165.236   19.258  125.000   26.784  208.300   27.710   31.484   3.6716   41.210   2.8653 -9.725836 4.657360 
1 1 1   16   37   14 f   24.320   1.9923   71.481   11.341   67.000   15.835   76.200   16.251   23.223   2.9545   24.838   2.8208 -1.615349 4.084805 
1 1 1   16   37   15 o   20.181   2.8438   50.700   13.176   0.0000   0.0000   50.700   13.176  ?   ?    20.181   2.8438 0.000000 2.843822 
1 1 1   16   37   16 f   10.398   2.8210   13.700   7.1026   0.0000   0.0000   13.700   7.1026  ?   ?    10.398   2.8210 0.000000 2.821049 
1 1 1   16   37   17 o   32.200   3.3495  130.500   25.096   0.0000   0.0000  130.500   25.096  ?   ?    32.200   3.3495 0.000000 3.349476 
1 1 1   16   37   18 o   6.9525   2.2586   5.7000   4.2446   0.0000   0.0000   5.7000   4.2446  ?   ?    6.9525   2.2586 0.000000 2.258607 
1 1 1   16   37   19 o   15.626   2.6786   30.700   9.5278   0.0000   0.0000   30.700   9.5278  ?   ?    15.626   2.6786 0.000000 2.678588 
1 1 1   16   37   20 o   45.997   4.4051  278.700   47.262   0.0000   0.0000  278.700   47.262  ?   ?    45.997   4.4051 0.000000 4.405105 
1 1 1   16   37   21 o   36.408   3.6496  169.700   30.954   0.0000   0.0000  169.700   30.954  ?   ?    36.408   3.6496 0.000000 3.649582 
1 1 1   16   37   22 o   17.496   2.6530   38.400   10.617   0.0000   0.0000   38.400   10.617  ?   ?    17.496   2.6530 0.000000 2.652981 
1 1 1   16   37   23 o   16.037   2.6240   32.400   9.5935   0.0000   0.0000   32.400   9.5935  ?   ?    16.037   2.6240 0.000000 2.624036 
1 1 1   16   37   24 o   8.2372   2.4054   8.5000   4.9709   0.0000   0.0000   8.5000   4.9709  ?   ?    8.2372   2.4054 0.000000 2.405414 
1 1 1   16   37   25 o   7.6868   2.4607   7.2000   5.0517   0.0000   0.0000   7.2000   5.0517  ?   ?    7.6868   2.4607 0.000000 2.460723 
1 1 1   16   37   26 f   6.8008   2.1767   5.6000   3.9529   0.0000   0.0000   5.6000   3.9529  ?   ?    6.8008   2.1767 0.000000 2.176661 
1 1 1   16   37   27 o   12.897   2.6221   21.600   7.7136   0.0000   0.0000   21.600   7.7136  ?   ?    12.897   2.6221 0.000000 2.622113 
1 1 1   16   37   28 o   7.5583   2.6316   6.8000   5.7602   0.0000   0.0000   6.8000   5.7602  ?   ?    7.5583   2.6316 0.000000 2.631594 
1 1 1   16   37   29 o   4.9483   2.1025   0.5000   4.2854   0.0000   0.0000   0.5000   4.2854  ?   ?    4.9483   2.1025 0.000000 2.102474 
1 1 1   16   37   30 o   8.2913   2.7640   8.9000   6.3415   0.0000   0.0000   8.9000   6.3415  ?   ?    8.2913   2.7640 0.000000 2.763969 
1 1 1   16   37   31 o   7.9749   2.6919   8.2000   6.0152   0.0000   0.0000   8.2000   6.0152  ?   ?    7.9749   2.6919 0.000000 2.691915 
1 1 1   16   37   32 o   9.1089   2.8716   11.400   6.9000   0.0000   0.0000   11.400   6.9000  ?   ?    9.1089   2.8716 0.000000 2.871634 
1 1 1   16   37   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   37   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   38    0 o   2.5341   1.6994  -1.1000   2.8503  -1.1000   2.8503  -1.1000   2.8503   2.5341   1.6994   2.5341   1.6994 0.000000 0.000000 
1 1 1   16   38    1 o   29.843   2.1841  107.493   15.284  113.200   21.926  102.100   21.316   30.300   3.1086   28.726   3.1967 1.573528 4.458915 
1 1 1   16   38    2 o   16.879   1.8549   34.447   7.2710   25.900   10.166   43.400   10.404   14.307   3.0988   18.837   2.3929 -4.530417 3.915139 
1 1 1   16   38    3 o   32.616   2.3022  128.623   17.618  135.000   24.968  122.300   24.863   33.048   3.2411   31.366   3.4119 1.682404 4.705918 
1 1 1   16   38    4 o   35.426   2.4422  152.108   20.305  153.800   28.650  150.400   28.781   35.156   3.4976   34.731   3.5597 0.4251175 4.990426 
1 1 1   16   38    5 o   21.780   2.7937   58.500   14.037   0.0000   0.0000   58.500   14.037  ?   ?    21.780   2.7937 0.000000 2.793652 
1 1 1   16   38    6 o   74.934   3.7317  698.384   66.030  475.600   92.331  931.600   94.468   58.265   6.8410   85.170   4.7155 -26.90569 8.308774 
1 1 1   16   38    7 o   39.151   2.5543  186.343   23.485  177.800   33.104  195.000   33.323   37.607   3.7789   39.499   3.6128 -1.891666 5.228038 
1 1 1   16   38    8 o   27.714   2.0391   92.676   13.251   79.900   18.256  106.900   19.263   25.357   3.1145   29.509   2.7979 -4.152328 4.186721 
1 1 1   16   38    9 o   49.911   3.1241  306.947   36.635  312.600   51.599  301.200   52.022   49.310   4.4803   48.275   4.6200 1.035839 6.435645 
1 1 1   16   38   10 o   23.747   1.9201   68.030   10.675   54.900   14.920   81.800   15.280   20.943   3.1115   25.862   2.5346 -4.918184 4.013198 
1 1 1   16   38   11 o   32.492   2.3005  128.090   17.536   92.600   24.710  164.100   24.891   26.850   4.0211   36.515   2.9109 -9.664879 4.964117 
1 1 1   16   38   12 o   15.815   2.8141   31.400   10.124   0.0000   0.0000   31.400   10.124  ?   ?    15.815   2.8141 0.000000 2.814071 
1 1 1   16   38   13 o   11.786   2.6906   17.600   7.3231   0.0000   0.0000   17.600   7.3231  ?   ?    11.786   2.6906 0.000000 2.690579 
1 1 1   16   38   14 o   23.448   2.8636   68.400   15.526   0.0000   0.0000   68.400   15.526  ?   ?    23.448   2.8636 0.000000 2.863553 
1 1 1   16   38   15 o   36.658   3.7085  171.100   31.660   0.0000   0.0000  171.100   31.660  ?   ?    36.658   3.7085 0.000000 3.708499 
1 1 1   16   38   16 o   61.104   5.8474  522.700   83.341   0.0000   0.0000  522.700   83.341  ?   ?    61.104   5.8474 0.000000 5.847446 
1 1 1   16   38   17 o   7.5570   2.2859   7.0000   4.4268   0.0000   0.0000   7.0000   4.4268  ?   ?    7.5570   2.2859 0.000000 2.285865 
1 1 1   16   38   18 o   11.390   2.6325   16.500   6.9386   0.0000   0.0000   16.500   6.9386  ?   ?    11.390   2.6325 0.000000 2.632535 
1 1 1   16   38   19 o   32.419   3.3622  133.100   25.364   0.0000   0.0000  133.100   25.364  ?   ?    32.419   3.3622 0.000000 3.362191 
1 1 1   16   38   20 o   17.241   2.6598   37.300   10.480   0.0000   0.0000   37.300   10.480  ?   ?    17.241   2.6598 0.000000 2.659782 
1 1 1   16   38   21 o   22.152   2.7744   61.500   14.194   0.0000   0.0000   61.500   14.194  ?   ?    22.152   2.7744 0.000000 2.774405 
1 1 1   16   38   22 o   7.8951   2.4088   7.7000   4.9002   0.0000   0.0000   7.7000   4.9002  ?   ?    7.8951   2.4088 0.000000 2.408776 
1 1 1   16   38   23 o   6.9644   2.3651   5.6000   4.6435   0.0000   0.0000   5.6000   4.6435  ?   ?    6.9644   2.3651 0.000000 2.365079 
1 1 1   16   38   24 o   5.2365   1.9769   2.5000   3.3396   0.0000   0.0000   2.5000   3.3396  ?   ?    5.2365   1.9769 0.000000 1.976888 
1 1 1   16   38   25 o   18.904   2.7696   45.900   11.996   0.0000   0.0000   45.900   11.996  ?   ?    18.904   2.7696 0.000000 2.769583 
1 1 1   16   38   26 o  ?   ?   -8.8000   0.9189   0.0000   0.0000  -8.8000   0.9189  ?   ?   ?   ?  0.000000      ? 
1 1 1   16   38   27 o   12.747   2.7655   21.600   8.0848   0.0000   0.0000   21.600   8.0848  ?   ?    12.747   2.7655 0.000000 2.765480 
1 1 1   16   38   28 o   10.768   2.6976   15.600   6.8449   0.0000   0.0000   15.600   6.8449  ?   ?    10.768   2.6976 0.000000 2.697587 
1 1 1   16   38   29 o   7.4455   2.4711   7.0000   5.0708   0.0000   0.0000   7.0000   5.0708  ?   ?    7.4455   2.4711 0.000000 2.471083 
1 1 1   16   38   30 f   6.7045   2.2948   5.5000   4.3719   0.0000   0.0000   5.5000   4.3719  ?   ?    6.7045   2.2948 0.000000 2.294771 
1 1 1   16   38   31 f   11.909   2.6683   19.400   7.3177   0.0000   0.0000   19.400   7.3177  ?   ?    11.909   2.6683 0.000000 2.668344 
1 1 1   16   38   32 o   4.9992   2.1239   0.7000   4.3721   0.0000   0.0000   0.7000   4.3721  ?   ?    4.9992   2.1239 0.000000 2.123861 
1 1 1   16   38   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   39    0 o   37.888   3.7805  179.200   33.051  179.200   33.051  179.200   33.051   37.888   3.7805   37.888   3.7805 0.000000 0.000000 
1 1 1   16   39    1 o   27.406   2.1590   90.888   13.859   96.000   19.436   85.600   19.767   27.865   3.0011   26.187   3.2676 1.677887 4.436672 
1 1 1   16   39    2 o   33.265   2.3954  134.346   18.690  122.200   26.651  146.100   26.218   31.133   3.6975   34.297   3.2771 -3.164186 4.940757 
1 1 1   16   39    3 o   21.392   1.9673   55.326   9.8262   41.300   13.788   69.800   14.007   18.035   3.3614   23.883   2.5219 -5.848019 4.202234 
1 1 1   16   39    4 o   45.806   2.9421  257.507   31.654  221.600   44.833  293.200   44.699   41.305   4.6791   48.163   3.9655 -6.857231 6.133437 
1 1 1   16   39    5 o   41.623   2.5656  210.910   25.094  164.500   35.177  259.000   35.808   35.810   4.2425   45.675   3.3432 -9.865143 5.401450 
1 1 1   16   39    6 o   14.666   2.1009   26.367   7.0680   12.100   10.426   38.500   9.6147   10.243   3.5419   17.705   2.3584 -7.461779 4.255267 
1 1 1   16   39    7 o   12.925   2.0906   20.579   6.1628   27.100   8.7296   14.100   8.7013   14.734   2.6043   10.622   3.2030 4.112077 4.128150 
1 1 1   16   39    8 o   50.577   3.1665  316.814   37.627  309.700   53.264  323.900   53.162   48.685   4.6912   49.925   4.5597 -1.240616 6.542044 
1 1 1   16   39    9 o   56.417   3.5228  398.849   46.696  368.100   66.145  429.400   65.932   52.164   5.4504   56.990   4.9485 -4.825546 7.361671 
1 1 1   16   39   10 o   21.566   2.9459   58.100   14.609   0.0000   0.0000   58.100   14.609  ?   ?    21.566   2.9459 0.000000 2.945881 
1 1 1   16   39   11 f   19.202   2.7255   45.900   12.011   0.0000   0.0000   45.900   12.011  ?   ?    19.202   2.7255 0.000000 2.725513 
1 1 1   16   39   12 o   24.005   3.0148   72.100   16.713   0.0000   0.0000   72.100   16.713  ?   ?    24.005   3.0148 0.000000 3.014798 
1 1 1   16   39   13 o   27.669   3.1344   96.000   20.118   0.0000   0.0000   96.000   20.118  ?   ?    27.669   3.1344 0.000000 3.134406 
1 1 1   16   39   14 f   7.3108   2.6823   5.4000   6.0652   0.0000   0.0000   5.4000   6.0652  ?   ?    7.3108   2.6823 0.000000 2.682272 
1 1 1   16   39   15 o   32.930   3.4078  137.200   26.116   0.0000   0.0000  137.200   26.116  ?   ?    32.930   3.4078 0.000000 3.407820 
1 1 1   16   39   16 o   13.328   2.5778   22.400   7.8197   0.0000   0.0000   22.400   7.8197  ?   ?    13.328   2.5778 0.000000 2.577782 
1 1 1   16   39   17 o   7.5428   2.3590   6.9000   4.6664   0.0000   0.0000   6.9000   4.6664  ?   ?    7.5428   2.3590 0.000000 2.358992 
1 1 1   16   39   18 o   9.7709   2.3976   12.100   5.4904   0.0000   0.0000   12.100   5.4904  ?   ?    9.7709   2.3976 0.000000 2.397561 
1 1 1   16   39   19 o   23.926   2.9185   72.000   16.147   0.0000   0.0000   72.000   16.147  ?   ?    23.926   2.9185 0.000000 2.918457 
1 1 1   16   39   20 o   6.5186   2.3628   4.4000   4.6858   0.0000   0.0000   4.4000   4.6858  ?   ?    6.5186   2.3628 0.000000 2.362752 
1 1 1   16   39   21 f   31.058   3.3513  124.000   24.188   0.0000   0.0000  124.000   24.188  ?   ?    31.058   3.3513 0.000000 3.351273 
1 1 1   16   39   22 o   15.886   2.6365   32.100   9.5431   0.0000   0.0000   32.100   9.5431  ?   ?    15.886   2.6365 0.000000 2.636467 
1 1 1   16   39   23 o   18.296   2.7554   42.900   11.535   0.0000   0.0000   42.900   11.535  ?   ?    18.296   2.7554 0.000000 2.755382 
1 1 1   16   39   24 o   27.327   3.1622   98.000   20.029   0.0000   0.0000   98.000   20.029  ?   ?    27.327   3.1622 0.000000 3.162213 
1 1 1   16   39   25 o   4.0688   1.6888   0.6000   2.6668   0.0000   0.0000   0.6000   2.6668  ?   ?    4.0688   1.6888 0.000000 1.688792 
1 1 1   16   39   26 o   8.3144   2.5100   9.0000   5.3414   0.0000   0.0000   9.0000   5.3414  ?   ?    8.3144   2.5100 0.000000 2.510010 
1 1 1   16   39   27 o   13.399   2.8296   24.300   8.6720   0.0000   0.0000   24.300   8.6720  ?   ?    13.399   2.8296 0.000000 2.829569 
1 1 1   16   39   28 o  ?   ?  -12.7000   1.3927   0.0000   0.0000 -12.7000   1.3927  ?   ?   ?   ?  0.000000      ? 
1 1 1   16   39   29 o   9.9717   2.6816   13.600   6.4516   0.0000   0.0000   13.600   6.4516  ?   ?    9.9717   2.6816 0.000000 2.681648 
1 1 1   16   39   30 o   7.4869   2.5681   7.1000   5.4756   0.0000   0.0000   7.1000   5.4756  ?   ?    7.4869   2.5681 0.000000 2.568067 
1 1 1   16   39   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40    0 o   30.030   3.2989  112.800   22.673  112.800   22.673  112.800   22.673   30.030   3.2989   30.030   3.2989 0.000000 0.000000 
1 1 1   16   40    1 o   26.602   2.0154   85.589   12.566   50.100   17.623  122.300   17.924   19.610   3.9423   31.674   2.4146 -12.06306 4.623042 
1 1 1   16   40    2 o   28.765   2.2082  100.455   14.884   88.600   20.882  112.700   21.222   26.500   3.4166   30.128   3.0238 -3.628242 4.562494 
1 1 1   16   40    3 f   31.246   2.2663  118.623   16.608  128.700   23.461  108.500   23.513   32.154   3.1296   29.333   3.4614 2.821253 4.666397 
1 1 1   16   40    4 o   8.9881   2.1475   10.126   4.4957   10.400   6.6817   9.9000   6.0769   9.1851   2.8146   8.9417   2.6723 0.2434025 3.881151 
1 1 1   16   40    5 o   32.765   2.3391  130.667   17.979  117.800   25.443  143.500   25.409   30.484   3.6042   33.908   3.2117 -3.424255 4.827554 
1 1 1   16   40    6 o   31.331   3.3942  123.500   24.710   0.0000   0.0000  123.500   24.710  ?   ?    31.331   3.3942 0.000000 3.394162 
1 1 1   16   40    7 o   33.744   3.4680  143.600   27.240   0.0000   0.0000  143.600   27.240  ?   ?    33.744   3.4680 0.000000 3.468000 
1 1 1   16   40    8 o   19.202   2.8770   46.200   12.643   0.0000   0.0000   46.200   12.643  ?   ?    19.202   2.8770 0.000000 2.876970 
1 1 1   16   40    9 o   32.135   3.4288  130.400   25.617   0.0000   0.0000  130.400   25.617  ?   ?    32.135   3.4288 0.000000 3.428761 
1 1 1   16   40   10 f   33.859   3.4587  144.900   27.265   0.0000   0.0000  144.900   27.265  ?   ?    33.859   3.4587 0.000000 3.458662 
1 1 1   16   40   11 o   16.101   2.8250   32.700   10.349   0.0000   0.0000   32.700   10.349  ?   ?    16.101   2.8250 0.000000 2.824984 
1 1 1   16   40   12 o   29.615   3.2961  110.600   22.659   0.0000   0.0000  110.600   22.659  ?   ?    29.615   3.2961 0.000000 3.296054 
1 1 1   16   40   13 o   8.0368   2.4778   7.9000   5.1691   0.0000   0.0000   7.9000   5.1691  ?   ?    8.0368   2.4778 0.000000 2.477784 
1 1 1   16   40   14 o   14.337   2.4515   25.700   8.0015   0.0000   0.0000   25.700   8.0015  ?   ?    14.337   2.4515 0.000000 2.451482 
1 1 1   16   40   15 o   24.606   2.9022   75.800   16.539   0.0000   0.0000   75.800   16.539  ?   ?    24.606   2.9022 0.000000 2.902239 
1 1 1   16   40   16 o   38.819   3.8497  194.900   34.823   0.0000   0.0000  194.900   34.823  ?   ?    38.819   3.8497 0.000000 3.849677 
1 1 1   16   40   17 o   16.896   2.6612   35.900   10.266   0.0000   0.0000   35.900   10.266  ?   ?    16.896   2.6612 0.000000 2.661247 
1 1 1   16   40   18 o   23.920   2.8988   72.100   16.039   0.0000   0.0000   72.100   16.039  ?   ?    23.920   2.8988 0.000000 2.898822 
1 1 1   16   40   19 f   20.902   2.7804   55.200   13.383   0.0000   0.0000   55.200   13.383  ?   ?    20.902   2.7804 0.000000 2.780367 
1 1 1   16   40   20 o   52.401   5.3234  397.300   64.956   0.0000   0.0000  397.300   64.956  ?   ?    52.401   5.3234 0.000000 5.323406 
1 1 1   16   40   21 o   14.786   2.7860   28.300   9.3706   0.0000   0.0000   28.300   9.3706  ?   ?    14.786   2.7860 0.000000 2.786010 
1 1 1   16   40   22 o   8.6783   2.8115   9.5000   6.5798   0.0000   0.0000   9.5000   6.5798  ?   ?    8.6783   2.8115 0.000000 2.811517 
1 1 1   16   40   23 o   43.109   4.6602  273.300   46.684   0.0000   0.0000  273.300   46.684  ?   ?    43.109   4.6602 0.000000 4.660186 
1 1 1   16   40   24 o  ?   ?   -6.3000   1.6047   0.0000   0.0000  -6.3000   1.6047  ?   ?   ?   ?  0.000000      ? 
1 1 1   16   40   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   40   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   41    0 o   10.049   3.8475   16.600   8.6200   16.600   8.6200   16.600   8.6200   10.049   3.8475   10.049   3.8475 0.000000 0.000000 
1 1 1   16   41    1 o   37.516   2.5803  172.461   22.719  151.500   32.177  193.300   32.083   34.252   4.0570   39.140   3.5085 -4.887897 5.363671 
1 1 1   16   41    2 o   15.092   1.9274   27.811   6.7117   31.300   9.1780   23.800   9.8400   15.848   2.5382   13.614   3.1267 2.233692 4.027237 
1 1 1   16   41    3 o   5.1710   2.2165  -0.1000   4.8394   0.0000   0.0000  -0.1000   4.8394  ?   ?    5.1710   2.2165 0.000000 2.216534 
1 1 1   16   41    4 o   17.171   2.7243   36.900   10.678   0.0000   0.0000   36.900   10.678  ?   ?    17.171   2.7243 0.000000 2.724341 
1 1 1   16   41    5 o   33.322   3.4781  140.400   26.964   0.0000   0.0000  140.400   26.964  ?   ?    33.322   3.4781 0.000000 3.478084 
1 1 1   16   41    6 o   25.163   3.0511   79.300   17.759   0.0000   0.0000   79.300   17.759  ?   ?    25.163   3.0511 0.000000 3.051122 
1 1 1   16   41    7 o   10.566   2.8922   14.200   7.4266   0.0000   0.0000   14.200   7.4266  ?   ?    10.566   2.8922 0.000000 2.892171 
1 1 1   16   41    8 o   27.515   3.1761   95.100   20.257   0.0000   0.0000   95.100   20.257  ?   ?    27.515   3.1761 0.000000 3.176136 
1 1 1   16   41    9 o   24.845   3.0155   77.300   17.329   0.0000   0.0000   77.300   17.329  ?   ?    24.845   3.0155 0.000000 3.015479 
1 1 1   16   41   10 o   12.838   2.9353   21.100   8.7045   0.0000   0.0000   21.100   8.7045  ?   ?    12.838   2.9353 0.000000 2.935291 
1 1 1   16   41   11 o   11.503   3.0263   17.000   8.3309   0.0000   0.0000   17.000   8.3309  ?   ?    11.503   3.0263 0.000000 3.026287 
1 1 1   16   41   12 o   5.0158   2.0682   1.0000   3.9629   0.0000   0.0000   1.0000   3.9629  ?   ?    5.0158   2.0682 0.000000 2.068241 
1 1 1   16   41   13 o   18.498   2.8232   43.100   11.941   0.0000   0.0000   43.100   11.941  ?   ?    18.498   2.8232 0.000000 2.823203 
1 1 1   16   41   14 o   15.797   2.9113   31.800   10.460   0.0000   0.0000   31.800   10.460  ?   ?    15.797   2.9113 0.000000 2.911270 
1 1 1   16   41   15 f   28.667   3.2683  104.600   21.729   0.0000   0.0000  104.600   21.729  ?   ?    28.667   3.2683 0.000000 3.268346 
1 1 1   16   41   16 o   34.456   3.6511  154.100   29.253   0.0000   0.0000  154.100   29.253  ?   ?    34.456   3.6511 0.000000 3.651061 
1 1 1   16   41   17 f   17.970   3.0001   41.500   12.282   0.0000   0.0000   41.500   12.282  ?   ?    17.970   3.0001 0.000000 3.000135 
1 1 1   16   41   18 o   23.393   3.0190   70.200   16.288   0.0000   0.0000   70.200   16.288  ?   ?    23.393   3.0190 0.000000 3.018971 
1 1 1   16   41   19 o   12.214   2.8868   19.600   8.1941   0.0000   0.0000   19.600   8.1941  ?   ?    12.214   2.8868 0.000000 2.886799 
1 1 1   16   41   20 o   15.111   3.0564   30.300   10.531   0.0000   0.0000   30.300   10.531  ?   ?    15.111   3.0564 0.000000 3.056353 
1 1 1   16   41   21 o   8.6044   2.8743   9.3000   6.8573   0.0000   0.0000   9.3000   6.8573  ?   ?    8.6044   2.8743 0.000000 2.874316 
1 1 1   16   41   22 o   9.6636   2.6732   12.400   6.3056   0.0000   0.0000   12.400   6.3056  ?   ?    9.6636   2.6732 0.000000 2.673181 
1 1 1   16   41   23 o   3.1287   1.5345  -7.4000   3.8686   0.0000   0.0000  -7.4000   3.8686  ?   ?    3.1287   1.5345 0.000000 1.534548 
1 1 1   16   41   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   41   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   41   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   41   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   41   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42    1 o   35.486   3.6517  160.300   30.163   0.0000   0.0000  160.300   30.163  ?   ?    35.486   3.6517 0.000000 3.651677 
1 1 1   16   42    2 o   23.489   2.9062   68.900   15.775   0.0000   0.0000   68.900   15.775  ?   ?    23.489   2.9062 0.000000 2.906162 
1 1 1   16   42    3 o   4.7324   2.1153  -1.9000   4.8382   0.0000   0.0000  -1.9000   4.8382  ?   ?    4.7324   2.1153 0.000000 2.115336 
1 1 1   16   42    4 o   47.379   4.5274  295.800   50.035   0.0000   0.0000  295.800   50.035  ?   ?    47.379   4.5274 0.000000 4.527414 
1 1 1   16   42    5 o   27.073   3.2111   92.400   20.128   0.0000   0.0000   92.400   20.128  ?   ?    27.073   3.2111 0.000000 3.211068 
1 1 1   16   42    6 o   18.166   2.7718   41.400   11.513   0.0000   0.0000   41.400   11.513  ?   ?    18.166   2.7718 0.000000 2.771829 
1 1 1   16   42    7 o   13.372   3.0417   23.000   9.3880   0.0000   0.0000   23.000   9.3880  ?   ?    13.372   3.0417 0.000000 3.041693 
1 1 1   16   42    8 o   20.948   2.8362   55.000   13.669   0.0000   0.0000   55.000   13.669  ?   ?    20.948   2.8362 0.000000 2.836214 
1 1 1   16   42    9 o   15.405   2.9675   30.300   10.403   0.0000   0.0000   30.300   10.403  ?   ?    15.405   2.9675 0.000000 2.967484 
1 1 1   16   42   10 f   8.7106   2.8734   9.1000   6.8603   0.0000   0.0000   9.1000   6.8603  ?   ?    8.7106   2.8734 0.000000 2.873428 
1 1 1   16   42   11 o   12.434   2.7836   19.800   7.9695   0.0000   0.0000   19.800   7.9695  ?   ?    12.434   2.7836 0.000000 2.783611 
1 1 1   16   42   12 o   21.294   2.9088   57.300   14.244   0.0000   0.0000   57.300   14.244  ?   ?    21.294   2.9088 0.000000 2.908815 
1 1 1   16   42   13 o   15.174   2.8663   29.500   9.8940   0.0000   0.0000   29.500   9.8940  ?   ?    15.174   2.8663 0.000000 2.866257 
1 1 1   16   42   14 o   6.9683   2.7370   3.9000   6.5841   0.0000   0.0000   3.9000   6.5841  ?   ?    6.9683   2.7370 0.000000 2.737027 
1 1 1   16   42   15 o   13.560   2.9100   23.900   9.0390   0.0000   0.0000   23.900   9.0390  ?   ?    13.560   2.9100 0.000000 2.909965 
1 1 1   16   42   16 o   9.7506   2.6417   12.300   6.2336   0.0000   0.0000   12.300   6.2336  ?   ?    9.7506   2.6417 0.000000 2.641732 
1 1 1   16   42   17 o   21.722   2.9558   61.100   14.768   0.0000   0.0000   61.100   14.768  ?   ?    21.722   2.9558 0.000000 2.955846 
1 1 1   16   42   18 o   29.122   3.3622  112.800   22.697   0.0000   0.0000  112.800   22.697  ?   ?    29.122   3.3622 0.000000 3.362247 
1 1 1   16   42   19 o   26.657   3.2424   94.700   19.990   0.0000   0.0000   94.700   19.990  ?   ?    26.657   3.2424 0.000000 3.242419 
1 1 1   16   42   20 o   36.925   4.1440  196.200   35.509   0.0000   0.0000  196.200   35.509  ?   ?    36.925   4.1440 0.000000 4.143990 
1 1 1   16   42   21 o   9.9421   3.1034   13.400   8.0804   0.0000   0.0000   13.400   8.0804  ?   ?    9.9421   3.1034 0.000000 3.103365 
1 1 1   16   42   22 o   15.081   3.1947   31.500   11.023   0.0000   0.0000   31.500   11.023  ?   ?    15.081   3.1947 0.000000 3.194700 
1 1 1   16   42   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   42   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43    5 o   11.295   2.6812   16.300   7.0439   0.0000   0.0000   16.300   7.0439  ?   ?    11.295   2.6812 0.000000 2.681171 
1 1 1   16   43    6 o   37.213   3.8472  179.700   33.318   0.0000   0.0000  179.700   33.318  ?   ?    37.213   3.8472 0.000000 3.847239 
1 1 1   16   43    7 o   12.873   2.8529   21.300   8.4441   0.0000   0.0000   21.300   8.4441  ?   ?    12.873   2.8529 0.000000 2.852869 
1 1 1   16   43    8 o   9.5473   2.6900   11.600   6.3240   0.0000   0.0000   11.600   6.3240  ?   ?    9.5473   2.6900 0.000000 2.689971 
1 1 1   16   43    9 o   17.059   3.0345   37.400   11.776   0.0000   0.0000   37.400   11.776  ?   ?    17.059   3.0345 0.000000 3.034532 
1 1 1   16   43   10 o   16.925   2.6953   36.300   10.411   0.0000   0.0000   36.300   10.411  ?   ?    16.925   2.6953 0.000000 2.695296 
1 1 1   16   43   11 o   40.889   4.1769  224.700   39.763   0.0000   0.0000  224.700   39.763  ?   ?    40.889   4.1769 0.000000 4.176867 
1 1 1   16   43   12 o   7.6839   2.7897   6.4000   6.5362   0.0000   0.0000   6.4000   6.5362  ?   ?    7.6839   2.7897 0.000000 2.789713 
1 1 1   16   43   13 o   8.9530   2.8496   10.100   6.7819   0.0000   0.0000   10.100   6.7819  ?   ?    8.9530   2.8496 0.000000 2.849571 
1 1 1   16   43   14 o   26.234   3.2275   90.100   19.572   0.0000   0.0000   90.100   19.572  ?   ?    26.234   3.2275 0.000000 3.227507 
1 1 1   16   43   15 o   8.2025   2.6673   8.4000   5.9191   0.0000   0.0000   8.4000   5.9191  ?   ?    8.2025   2.6673 0.000000 2.667278 
1 1 1   16   43   16 o   34.703   3.7579  164.900   30.303   0.0000   0.0000  164.900   30.303  ?   ?    34.703   3.7579 0.000000 3.757948 
1 1 1   16   43   17 o   12.584   2.6693   20.900   7.6863   0.0000   0.0000   20.900   7.6863  ?   ?    12.584   2.6693 0.000000 2.669341 
1 1 1   16   43   18 o   25.360   3.2231   86.700   18.865   0.0000   0.0000   86.700   18.865  ?   ?    25.360   3.2231 0.000000 3.223113 
1 1 1   16   43   19 o   6.3354   2.4579   3.7000   5.2582   0.0000   0.0000   3.7000   5.2582  ?   ?    6.3354   2.4579 0.000000 2.457908 
1 1 1   16   43   20 o   29.909   3.5586  125.300   24.639   0.0000   0.0000  125.300   24.639  ?   ?    29.909   3.5586 0.000000 3.558592 
1 1 1   16   43   21 o   14.582   3.0534   29.300   10.177   0.0000   0.0000   29.300   10.177  ?   ?    14.582   3.0534 0.000000 3.053420 
1 1 1   16   43   22 o   13.805   3.0967   26.600   9.8464   0.0000   0.0000   26.600   9.8464  ?   ?    13.805   3.0967 0.000000 3.096708 
1 1 1   16   43   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   43   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44   11 o   22.143   3.0961   64.200   15.746   0.0000   0.0000   64.200   15.746  ?   ?    22.143   3.0961 0.000000 3.096097 
1 1 1   16   44   12 o   35.695   3.9248  175.300   32.536   0.0000   0.0000  175.300   32.536  ?   ?    35.695   3.9248 0.000000 3.924821 
1 1 1   16   44   13 o   17.429   3.0623   40.400   12.143   0.0000   0.0000   40.400   12.143  ?   ?    17.429   3.0623 0.000000 3.062279 
1 1 1   16   44   14 o   6.1828   2.3464   3.7000   4.7203   0.0000   0.0000   3.7000   4.7203  ?   ?    6.1828   2.3464 0.000000 2.346387 
1 1 1   16   44   15 o   25.580   3.1899   87.800   18.849   0.0000   0.0000   87.800   18.849  ?   ?    25.580   3.1899 0.000000 3.189933 
1 1 1   16   44   16 o   25.930   3.2347   90.900   19.375   0.0000   0.0000   90.900   19.375  ?   ?    25.930   3.2347 0.000000 3.234686 
1 1 1   16   44   17 o   23.069   3.0371   71.400   16.142   0.0000   0.0000   71.400   16.142  ?   ?    23.069   3.0371 0.000000 3.037116 
1 1 1   16   44   18 o   4.9047   2.0611   0.8000   4.0454   0.0000   0.0000   0.8000   4.0454  ?   ?    4.9047   2.0611 0.000000 2.061080 
1 1 1   16   44   19 o   13.292   2.7822   23.900   8.4527   0.0000   0.0000   23.900   8.4527  ?   ?    13.292   2.7822 0.000000 2.782227 
1 1 1   16   44   20 o   6.2843   2.3883   4.0000   4.8948   0.0000   0.0000   4.0000   4.8948  ?   ?    6.2843   2.3883 0.000000 2.388313 
1 1 1   16   44   21 o   15.743   2.8347   33.500   10.151   0.0000   0.0000   33.500   10.151  ?   ?    15.743   2.8347 0.000000 2.834750 
1 1 1   16   44   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   44   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   45   17 o   15.017   3.1098   31.200   10.664   0.0000   0.0000   31.200   10.664  ?   ?    15.017   3.1098 0.000000 3.109825 
1 1 1   16   45   18 o  ?   ?  -12.4000   2.9918   0.0000   0.0000 -12.4000   2.9918  ?   ?   ?   ?  0.000000      ? 
1 1 1   16   45   19 o   16.082   3.0585   35.700   11.190   0.0000   0.0000   35.700   11.190  ?   ?    16.082   3.0585 0.000000 3.058549 
1 1 1   16   45   20 f   11.578   2.9694   18.700   8.1573   0.0000   0.0000   18.700   8.1573  ?   ?    11.578   2.9694 0.000000 2.969425 
1 1 1   16   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   46   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   47   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   16   48    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0    1 o  173.546   9.3658  3618.95  381.260  3618.95  381.260  3618.95  381.260  173.546   9.3658  173.546   9.3658 0.000000 0.000000 
1 1 1   17    0    2 o  145.199   7.9183  2527.40  269.647  2527.40  269.647  2527.40  269.647  145.199   7.9183  145.199   7.9183 0.000000 0.000000 
1 1 1   17    0    3 o   61.712   3.2971  453.995   47.734  453.995   47.734  453.995   47.734   61.712   3.2971   61.712   3.2971 0.000000 0.000000 
1 1 1   17    0    4 o   85.936   4.8109  882.205   96.925  882.205   96.925  882.205   96.925   85.936   4.8109   85.936   4.8109 0.000000 0.000000 
1 1 1   17    0    5 o   18.845   1.7926   43.070   7.8112   43.070   7.8112   43.070   7.8112   18.845   1.7926   18.845   1.7926 0.000000 0.000000 
1 1 1   17    0    6 o   32.925   2.3301  129.981   17.908  129.981   17.908  129.981   17.908   32.925   2.3301   32.925   2.3301 0.000000 0.000000 
1 1 1   17    0    7 o   66.394   5.4848  532.800   84.642  532.800   84.642  532.800   84.642   66.394   5.4848   66.394   5.4848 0.000000 0.000000 
1 1 1   17    0    8 o   53.057   3.1665  336.300   39.348  336.300   39.348  336.300   39.348   53.057   3.1665   53.057   3.1665 0.000000 0.000000 
1 1 1   17    0    9 o  100.400   5.5615  1205.58  130.927  1205.58  130.927  1205.58  130.927  100.400   5.5615  100.400   5.5615 0.000000 0.000000 
1 1 1   17    0   10 o   6.1333   2.0634   5.7271   2.6700   5.7271   2.6700   5.7271   2.6700   6.1333   2.0634   6.1333   2.0634 0.000000 0.000000 
1 1 1   17    0   11 o  150.955   8.1403  2738.39  288.241  2738.39  288.241  2738.39  288.241  150.955   8.1403  150.955   8.1403 0.000000 0.000000 
1 1 1   17    0   12 o   26.501   2.0378   84.430   12.579   84.430   12.579   84.430   12.579   26.501   2.0378   26.501   2.0378 0.000000 0.000000 
1 1 1   17    0   13 o  175.339   9.6528  3717.31  396.895  3717.31  396.895  3717.31  396.895  175.339   9.6528  175.339   9.6528 0.000000 0.000000 
1 1 1   17    0   14 o  127.905   7.0694  1966.39  212.026  1966.39  212.026  1966.39  212.026  127.905   7.0694  127.905   7.0694 0.000000 0.000000 
1 1 1   17    0   15 o   55.341   3.1709  365.861   41.126  365.861   41.126  365.861   41.126   55.341   3.1709   55.341   3.1709 0.000000 0.000000 
1 1 1   17    0   16 o  155.750   8.5265  2935.03  311.441  2935.03  311.441  2935.03  311.441  155.750   8.5265  155.750   8.5265 0.000000 0.000000 
1 1 1   17    0   17 o   15.754   1.7443   30.386   6.2857   30.386   6.2857   30.386   6.2857   15.754   1.7443   15.754   1.7443 0.000000 0.000000 
1 1 1   17    0   18 o   60.118   3.4824  432.417   49.056  432.417   49.056  432.417   49.056   60.118   3.4824   60.118   3.4824 0.000000 0.000000 
1 1 1   17    0   19 o   46.962   2.8874  264.000   31.742  264.000   31.742  264.000   31.742   46.962   2.8874   46.962   2.8874 0.000000 0.000000 
1 1 1   17    0   20 o  252.217   14.426  8124.97  852.741  8124.97  852.741  8124.97  852.741  252.217   14.426  252.217   14.426 0.000000 0.000000 
1 1 1   17    0   21 o   94.227   5.2958  1069.41  116.984  1069.41  116.984  1069.41  116.984   94.227   5.2958   94.227   5.2958 0.000000 0.000000 
1 1 1   17    0   22 o   64.187   3.5740  493.613   53.788  493.613   53.788  493.613   53.788   64.187   3.5740   64.187   3.5740 0.000000 0.000000 
1 1 1   17    0   23 o   27.458   2.0411   90.657   13.066   90.657   13.066   90.657   13.066   27.458   2.0411   27.458   2.0411 0.000000 0.000000 
1 1 1   17    0   24 o  161.173   8.9172  3220.18  337.004  3220.18  337.004  3220.18  337.004  161.173   8.9172  161.173   8.9172 0.000000 0.000000 
1 1 1   17    0   25 o   53.494   4.6398  349.400   57.595  349.400   57.595  349.400   57.595   53.494   4.6398   53.494   4.6398 0.000000 0.000000 
1 1 1   17    0   26 o   58.454   4.9928  418.100   67.758  418.100   67.758  418.100   67.758   58.454   4.9928   58.454   4.9928 0.000000 0.000000 
1 1 1   17    0   27 o  123.341   10.272  1953.90  294.409  1953.90  294.409  1953.90  294.409  123.341   10.272  123.341   10.272 0.000000 0.000000 
1 1 1   17    0   28 o   15.519   2.8017   31.200   9.2733   31.200   9.2733   31.200   9.2733   15.519   2.8017   15.519   2.8017 0.000000 0.000000 
1 1 1   17    0   29 o   64.627   5.4743  515.200   82.164  515.200   82.164  515.200   82.164   64.627   5.4743   64.627   5.4743 0.000000 0.000000 
1 1 1   17    0   30 o   6.4389   2.8621   7.1000   4.6037   7.1000   4.6037   7.1000   4.6037   6.4389   2.8621   6.4389   2.8621 0.000000 0.000000 
1 1 1   17    0   31 o   9.5396   2.9516   13.500   5.8205   13.500   5.8205   13.500   5.8205   9.5396   2.9516   9.5396   2.9516 0.000000 0.000000 
1 1 1   17    0   32 o   41.433   3.8680  211.700   37.086  211.700   37.086  211.700   37.086   41.433   3.8680   41.433   3.8680 0.000000 0.000000 
1 1 1   17    0   33 o   49.798   4.4485  307.900   51.350  307.900   51.350  307.900   51.350   49.798   4.4485   49.798   4.4485 0.000000 0.000000 
1 1 1   17    0   34 o   56.071   4.9401  394.000   64.240  394.000   64.240  394.000   64.240   56.071   4.9401   56.071   4.9401 0.000000 0.000000 
1 1 1   17    0   35 o   53.978   4.8499  366.200   60.670  366.200   60.670  366.200   60.670   53.978   4.8499   53.978   4.8499 0.000000 0.000000 
1 1 1   17    0   36 o   9.0203   3.0247   12.500   5.7506   12.500   5.7506   12.500   5.7506   9.0203   3.0247   9.0203   3.0247 0.000000 0.000000 
1 1 1   17    0   37 o   27.743   3.1090   95.900   19.712   95.900   19.712   95.900   19.712   27.743   3.1090   27.743   3.1090 0.000000 0.000000 
1 1 1   17    0   38 o   4.2520   2.6594   1.3000   5.4903   1.3000   5.4903   1.3000   5.4903   4.2520   2.6594   4.2520   2.6594 0.000000 0.000000 
1 1 1   17    0   39 o   7.6085   3.3321  10.0000   6.2429  10.0000   6.2429  10.0000   6.2429   7.6085   3.3321   7.6085   3.3321 0.000000 0.000000 
1 1 1   17    0   40 o   9.7487   3.3186   14.800   6.8502   14.800   6.8502   14.800   6.8502   9.7487   3.3186   9.7487   3.3186 0.000000 0.000000 
1 1 1   17    0   41 o   30.859   3.3198  119.900   23.483  119.900   23.483  119.900   23.483   30.859   3.3198   30.859   3.3198 0.000000 0.000000 
1 1 1   17    0   42 o   3.8948   2.4652   0.8000   4.8752   0.8000   4.8752   0.8000   4.8752   3.8948   2.4652   3.8948   2.4652 0.000000 0.000000 
1 1 1   17    0   43 o   28.871   3.3285  106.300   21.908  106.300   21.908  106.300   21.908   28.871   3.3285   28.871   3.3285 0.000000 0.000000 
1 1 1   17    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    0   52 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1    0 o  117.336   9.2205  1669.40  251.846  1669.40  251.846  1669.40  251.846  117.336   9.2205  117.336   9.2205 0.000000 0.000000 
1 1 1   17    1    1 o  182.527   9.8112  4023.09  421.322  4266.40  595.917  3779.90  595.760  186.076   13.658  174.579   14.585 11.49648 19.98152 
1 1 1   17    1    2 o   70.925   3.9328  597.651   65.607  670.700   92.814  524.700   92.752   74.970   5.2764   66.149   6.0033 8.820557 7.992519 
1 1 1   17    1    3 o  109.498   5.9483  1430.25  153.224  1691.40  216.691  1169.10  216.691  118.694   7.7742   98.160   9.4659 20.53383 12.24920 
1 1 1   17    1    4 o   54.162   3.0628  348.150   39.012  413.300   55.213  283.200   55.129   58.932   3.9912   48.614   4.8677 10.31755 6.294763 
1 1 1   17    1    5 o   54.834   3.2158  357.006   41.457  400.900   58.624  313.100   58.632   57.996   4.3115   51.131   4.9168 6.865692 6.539434 
1 1 1   17    1    6 o  222.296   12.246  6045.14  640.349  7010.10  905.456  5079.60  905.725  236.302   16.327  198.415   19.587 37.88687 25.49943 
1 1 1   17    1    7 o  179.215   10.237  3895.67  431.422  4457.90  609.409  3330.80  610.840  189.813   13.688  162.487   16.133 27.32567 21.15780 
1 1 1   17    1    8 o  121.158   6.6473  1756.65  189.450  1954.00  267.854  1559.10  267.992  127.120   8.9810  113.103   10.142 14.01709 13.54698 
1 1 1   17    1    9 o  145.832   7.9571  2557.86  272.978  2901.90  385.986  2213.60  386.113  154.263   10.662  133.895   12.351 20.36800 16.31636 
1 1 1   17    1   10 o   47.686   2.9221  270.085   32.745  286.300   46.258  253.800   46.359   48.974   4.0360   46.052   4.3133 2.921604 5.907071 
1 1 1   17    1   11 o   19.291   1.7474   44.334   7.8735   50.500   11.149   38.200   11.120   20.533   2.3414   17.763   2.7393 2.770435 3.603588 
1 1 1   17    1   12 o  151.870   8.3150  2787.71  297.060  3140.50  420.041  2434.70  420.173  159.746   11.206  139.640   12.888 20.10529 17.07855 
1 1 1   17    1   13 o   72.303   4.0659  622.502   69.136  687.000   97.771  558.000   97.775   75.710   5.5066   68.058   6.1504 7.652084 8.255293 
1 1 1   17    1   14 o  146.798   8.0387  2611.12  277.598  2655.40  392.282  2566.70  392.884  146.146   11.459  143.523   11.694 2.623077 16.37267 
1 1 1   17    1   15 o   45.139   2.7630  242.199   29.309  241.800   41.420  242.600   41.479   44.947   3.9424   45.021   3.9413 -0.7484818E-01 5.574605 
1 1 1   17    1   16 f  105.446   5.8737  1336.76  145.672  1513.60  205.947  1159.70  206.074  111.449   7.8763   96.965   9.1068 14.48468 12.04035 
1 1 1   17    1   17 o  106.626   5.8957  1369.45  147.867  1405.40  208.975  1333.40  209.257  106.979   8.3383  104.063   8.5926 2.915817 11.97328 
1 1 1   17    1   18 o  111.605   6.1862  1506.41  162.393  1560.80  229.533  1451.90  229.784  112.314   8.7231  108.094   9.0867 4.219833 12.59601 
1 1 1   17    1   19 o  132.401   7.2949  2144.43  227.192  2130.20  321.087  2158.70  321.508  129.509   10.592  130.431   10.529 -0.9217987 14.93452 
1 1 1   17    1   20 o   57.362   3.3455  392.849   45.119  403.000   63.812  382.700   63.804   57.789   4.7173   56.271   4.8491 1.518150 6.765137 
1 1 1   17    1   21 o   15.808   1.6648   29.895   6.1210   31.500   8.6708   28.300   8.6422   16.133   2.3446   15.251   2.4853 0.8818922 3.416690 
1 1 1   17    1   22 o   48.470   2.9292  280.452   33.368  284.100   47.178  276.800   47.202   48.520   4.1579   47.873   4.2186 0.6468964 5.923303 
1 1 1   17    1   23 o   33.336   2.2565  132.448   17.658  139.100   24.977  125.800   24.968   34.020   3.1447   32.305   3.3203 1.715473 4.573093 
1 1 1   17    1   24 o   54.681   3.1782  357.910   40.860  384.600   57.829  331.300   57.742   56.354   4.3801   52.165   4.7393 4.188324 6.453388 
1 1 1   17    1   25 o   81.198   4.5593  799.065   87.064  910.100  123.147  688.100  123.108   85.807   6.1177   73.954   7.1382 11.85283 9.401103 
1 1 1   17    1   26 f   48.502   4.2284  285.800   47.944  285.800   47.944   0.0000   0.0000   48.502   4.2284  ?   ?  0.000000 4.228428 
1 1 1   17    1   27 o   73.421   6.1118  671.600  105.000  671.600  105.000   0.0000   0.0000   73.421   6.1118  ?   ?  0.000000 6.111831 
1 1 1   17    1   28 o   16.236   2.4704   32.100   9.1730   32.100   9.1730   0.0000   0.0000   16.236   2.4704  ?   ?  0.000000 2.470450 
1 1 1   17    1   29 o   11.768   2.4185   17.100   6.4960   17.100   6.4960   0.0000   0.0000   11.768   2.4185  ?   ?  0.000000 2.418499 
1 1 1   17    1   30 o   60.294   5.1676  453.800   72.863  453.800   72.863   0.0000   0.0000   60.294   5.1676  ?   ?  0.000000 5.167634 
1 1 1   17    1   31 o   54.753   4.7762  374.200   61.134  374.200   61.134   0.0000   0.0000   54.753   4.7762  ?   ?  0.000000 4.776206 
1 1 1   17    1   32 o   26.365   2.9032   84.800   17.775   84.800   17.775   0.0000   0.0000   26.365   2.9032  ?   ?  0.000000 2.903166 
1 1 1   17    1   33 o   37.234   3.5594  171.100   30.913  171.100   30.913   0.0000   0.0000   37.234   3.5594  ?   ?  0.000000 3.559358 
1 1 1   17    1   34 o   46.895   4.2556  276.800   46.612  276.800   46.612   0.0000   0.0000   46.895   4.2556  ?   ?  0.000000 4.255609 
1 1 1   17    1   35 o   13.888   2.4445   23.900   7.7237   23.900   7.7237   0.0000   0.0000   13.888   2.4445  ?   ?  0.000000 2.444496 
1 1 1   17    1   36 o   16.713   2.5499   34.500   9.7448   34.500   9.7448   0.0000   0.0000   16.713   2.5499  ?   ?  0.000000 2.549940 
1 1 1   17    1   37 o   15.587   2.5181   30.100   8.9524   30.100   8.9524   0.0000   0.0000   15.587   2.5181  ?   ?  0.000000 2.518061 
1 1 1   17    1   38 o   21.261   2.6936   55.800   13.220   55.800   13.220   0.0000   0.0000   21.261   2.6936  ?   ?  0.000000 2.693629 
1 1 1   17    1   39 o   10.888   2.5999   15.000   6.5924   15.000   6.5924   0.0000   0.0000   10.888   2.5999  ?   ?  0.000000 2.599949 
1 1 1   17    1   40 o   17.149   2.5939   36.700   10.176   36.700   10.176   0.0000   0.0000   17.149   2.5939  ?   ?  0.000000 2.593881 
1 1 1   17    1   41 o   16.992   2.6542   36.300   10.301   36.300   10.301   0.0000   0.0000   16.992   2.6542  ?   ?  0.000000 2.654162 
1 1 1   17    1   42 o   36.432   3.7202  173.400   31.555  173.400   31.555   0.0000   0.0000   36.432   3.7202  ?   ?  0.000000 3.720172 
1 1 1   17    1   43 o   33.669   3.5374  148.200   27.703  148.200   27.703   0.0000   0.0000   33.669   3.5374  ?   ?  0.000000 3.537354 
1 1 1   17    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    1   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2    0 o   8.2154   2.7796   10.300   4.8261   10.300   4.8261   10.300   4.8261   8.2154   2.7796   8.2154   2.7796 0.000000 0.000000 
1 1 1   17    2    1 o   43.292   2.5334  222.337   25.785  270.100   36.528  174.900   36.403   47.665   3.2650   38.204   4.0993 9.461105 5.240673 
1 1 1   17    2    2 o   76.251   4.1522  690.983   74.482  768.100  105.414  614.100  105.254   80.202   5.6013   71.554   6.2934 8.648186 8.425011 
1 1 1   17    2    3 o  163.324   8.7700  3209.19  336.991  3311.70  476.711  3106.80  476.443  164.430   12.368  159.035   12.795 5.395035 17.79579 
1 1 1   17    2    4 o   77.069   3.9719  705.494   72.038  898.100  102.012  513.900  101.743   86.843   4.9956   65.331   6.6895 21.51213 8.348924 
1 1 1   17    2    5 o  139.076   7.1516  2314.96  234.070  2687.50  331.289  1943.60  330.763  149.147   9.4555  126.131   11.223 23.01627 14.67494 
1 1 1   17    2    6 o   82.879   4.2001  816.287   81.931  997.100  116.049  636.600  115.687   91.442   5.3984   72.742   6.8145 18.70045 8.693652 
1 1 1   17    2    7 o  141.314   7.6589  2396.74  254.617  2617.30  360.051  2176.10  360.114  146.683   10.464  133.246   11.560 13.43727 15.59216 
1 1 1   17    2    8 o  132.016   7.1460  2089.01  221.937  2367.20  313.862  1810.80  313.871  139.749   9.5687  121.600   11.052 18.14840 14.61834 
1 1 1   17    2    9 o  146.254   7.9434  2572.80  273.304  2776.10  386.458  2369.40  386.562  150.726   10.932  138.747   11.914 11.97887 16.16989 
1 1 1   17    2   10 f   41.255   2.5217  202.042   24.448  237.400   34.604  166.800   34.547   44.655   3.3051   37.299   3.9840 7.356308 5.176528 
1 1 1   17    2   11 o   41.861   2.6308  208.112   25.873  215.200   36.559  201.000   36.620   42.453   3.6834   40.999   3.8267 1.454308 5.311446 
1 1 1   17    2   12 o   45.333   2.7470  244.084   29.267  273.000   41.401  215.200   41.378   47.845   3.6930   42.376   4.1900 5.469360 5.585226 
1 1 1   17    2   13 o   40.702   2.5815  196.812   24.683  205.200   34.881  188.400   34.932   41.446   3.5998   39.675   3.7741 1.770164 5.215588 
1 1 1   17    2   14 o   78.659   4.4282  738.043   81.916  819.200  115.816  656.800  115.877   82.549   5.9820   73.683   6.7343 8.866119 9.007533 
1 1 1   17    2   15 o   37.933   2.4577  171.008   21.896  183.300   30.955  158.700   30.976   39.168   3.3800   36.385   3.6547 2.783260 4.978032 
1 1 1   17    2   16 o   63.478   3.6272  480.091   54.144  537.300   76.578  422.900   76.566   66.931   4.8788   59.194   5.5421 7.737099 7.383597 
1 1 1   17    2   17 o   36.011   2.3535  154.188   19.903  178.100   28.154  130.300   28.140   38.621   3.1136   32.907   3.6846 5.714031 4.823944 
1 1 1   17    2   18 o   44.238   2.7098  232.881   28.171  251.200   39.861  214.600   39.820   45.800   3.7178   42.251   4.0404 3.548676 5.490620 
1 1 1   17    2   19 o   78.719   4.4096  742.850   81.637  864.000  115.452  621.700  115.452   84.456   5.8247   71.176   6.9582 13.27966 9.074325 
1 1 1   17    2   20 o   59.601   3.5082  424.494   49.156  475.300   69.487  373.600   69.548   62.784   4.7216   55.441   5.3801 7.343128 7.158137 
1 1 1   17    2   21 o   80.016   4.4810  770.089   84.327  759.600  119.196  780.600  119.315   78.692   6.4720   79.818   6.3838 -1.126511 9.090654 
1 1 1   17    2   22 o   31.765   2.1868  120.194   16.303  123.800   23.074  116.600   23.038   32.104   3.0816   31.130   3.1787 0.9736099 4.427248 
1 1 1   17    2   23 o   71.180   4.0577  609.660   67.919  635.800   96.033  583.500   96.070   72.052   5.6907   68.885   5.9650 3.166679 8.244085 
1 1 1   17    2   24 o   48.203   2.9771  277.903   33.721  301.700   47.636  254.000   47.741   49.960   4.0732   45.699   4.4818 4.261784 6.056227 
1 1 1   17    2   25 o   61.936   3.5721  460.939   52.021  487.000   73.585  434.900   73.553   63.162   4.9739   59.541   5.2865 3.621655 7.258567 
1 1 1   17    2   26 o   64.247   5.3689  507.700   80.706  507.700   80.706   0.0000   0.0000   64.247   5.3689  ?   ?  0.000000 5.368929 
1 1 1   17    2   27 o   79.341   6.5925  790.300  122.393  790.300  122.393   0.0000   0.0000   79.341   6.5925  ?   ?  0.000000 6.592454 
1 1 1   17    2   28 o  109.929   9.5490  1626.00  245.412  1626.00  245.412   0.0000   0.0000  109.929   9.5490  ?   ?  0.000000 9.548983 
1 1 1   17    2   29 o   34.673   3.3506  145.800   27.091  145.800   27.091   0.0000   0.0000   34.673   3.3506  ?   ?  0.000000 3.350612 
1 1 1   17    2   30 o   73.003   6.2228  679.800  106.249  679.800  106.249   0.0000   0.0000   73.003   6.2228  ?   ?  0.000000 6.222816 
1 1 1   17    2   31 o   42.352   3.8726  220.500   38.300  220.500   38.300   0.0000   0.0000   42.352   3.8726  ?   ?  0.000000 3.872559 
1 1 1   17    2   32 o   33.838   3.3278  140.300   26.247  140.300   26.247   0.0000   0.0000   33.838   3.3278  ?   ?  0.000000 3.327837 
1 1 1   17    2   33 o   41.542   3.8770  214.300   37.592  214.300   37.592   0.0000   0.0000   41.542   3.8770  ?   ?  0.000000 3.876969 
1 1 1   17    2   34 o   52.610   4.7128  352.700   57.927  352.700   57.927   0.0000   0.0000   52.610   4.7128  ?   ?  0.000000 4.712759 
1 1 1   17    2   35 o   20.285   2.6614   50.600   12.441   50.600   12.441   0.0000   0.0000   20.285   2.6614  ?   ?  0.000000 2.661445 
1 1 1   17    2   36 o   8.5071   2.3254   9.0000   4.8050   9.0000   4.8050   0.0000   0.0000   8.5071   2.3254  ?   ?  0.000000 2.325419 
1 1 1   17    2   37 o   38.084   3.6619  181.800   32.525  181.800   32.525   0.0000   0.0000   38.084   3.6619  ?   ?  0.000000 3.661888 
1 1 1   17    2   38 o   3.9966   1.6190   0.8000   2.3760   0.8000   2.3760   0.0000   0.0000   3.9966   1.6190  ?   ?  0.000000 1.618984 
1 1 1   17    2   39 o   12.202   2.4738   18.700   6.8839   18.700   6.8839   0.0000   0.0000   12.202   2.4738  ?   ?  0.000000 2.473798 
1 1 1   17    2   40 o   17.157   2.5678   36.700   10.083   36.700   10.083   0.0000   0.0000   17.157   2.5678  ?   ?  0.000000 2.567767 
1 1 1   17    2   41 o   10.463   2.4228   13.900   5.8678   13.900   5.8678   0.0000   0.0000   10.463   2.4228  ?   ?  0.000000 2.422763 
1 1 1   17    2   42 o   19.282   2.6887   46.900   11.909   46.900   11.909   0.0000   0.0000   19.282   2.6887  ?   ?  0.000000 2.688731 
1 1 1   17    2   43 o   13.766   2.4979   24.100   7.8208   24.100   7.8208   0.0000   0.0000   13.766   2.4979  ?   ?  0.000000 2.497909 
1 1 1   17    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    2   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3    0 o   69.951   5.7291  591.200   93.173  591.200   93.173  591.200   93.173   69.951   5.7291   69.951   5.7291 0.000000 0.000000 
1 1 1   17    3    1 o  185.923   10.038  4178.95  439.066  4091.50  620.924  4266.40  620.942  181.627   14.601  185.686   14.271 -4.058975 20.41669 
1 1 1   17    3    2 o   62.847   3.5292  469.031   52.163  515.200   73.824  423.000   73.714   65.727   4.7895   59.447   5.3070 6.279499 7.148679 
1 1 1   17    3    3 o  122.307   6.6725  1788.04  191.980  1957.70  271.430  1618.20  271.572  127.349   9.0857  115.425   10.064 11.92349 13.55890 
1 1 1   17    3    4 o  130.750   6.7213  2043.31  206.818  2477.10  292.701  1610.80  292.268  143.434   8.6828  114.862   10.906 28.57168 13.94066 
1 1 1   17    3    5 f  130.458   6.7146  2034.63  206.148  2417.90  291.735  1652.40  291.339  141.651   8.7649  116.380   10.722 25.27144 13.84852 
1 1 1   17    3    6 o   17.370   1.6898   35.983   6.8430   41.700   9.6920   30.300   9.6630   18.648   2.2461   15.788   2.6883 2.860557 3.503171 
1 1 1   17    3    7 o  108.100   5.8477  1394.81  148.714  1471.40  210.364  1318.30  210.263  110.492   8.1195  104.421   8.6039 6.070915 11.83023 
1 1 1   17    3    8 o   40.464   2.4910  194.340   23.686  220.100   33.536  168.700   33.458   42.990   3.3296   37.540   3.8280 5.450005 5.073384 
1 1 1   17    3    9 o   61.966   3.4720  456.169   50.599  490.700   71.642  421.800   71.473   64.108   4.7666   59.351   5.1509 4.757103 7.018020 
1 1 1   17    3   10 o  139.954   7.4442  2353.47  245.134  2634.90  346.811  2072.50  346.532  147.086   10.045  129.777   11.424 17.30869 15.21264 
1 1 1   17    3   11 f  183.888   10.053  4119.73  434.867  4369.30  614.897  3870.00  615.093  186.696   14.051  174.919   15.038 11.77742 20.58058 
1 1 1   17    3   12 o  125.982   6.8579  1906.62  203.246  2101.40  287.418  1711.80  287.449  131.346   9.3276  118.025   10.421 13.31998 13.98571 
1 1 1   17    3   13 o  112.637   6.0752  1520.95  160.990  1741.00  227.727  1301.10  227.621  119.852   8.0940  103.028   9.4618 16.82355 12.45143 
1 1 1   17    3   14 o   84.385   4.6380  849.998   92.065  950.100  130.233  750.000  130.166   88.850   6.2470   78.667   7.0831 10.18356 9.444339 
1 1 1   17    3   15 o  112.020   6.1450  1508.68  161.927  1558.50  228.936  1458.80  229.063  112.879   8.6548  109.047   8.9754 3.832687 12.46850 
1 1 1   17    3   16 o   34.335   2.3048  140.155   18.578  143.100   26.253  137.200   26.294   34.580   3.2534   33.842   3.3337 0.7381210 4.658108 
1 1 1   17    3   17 o   68.115   3.7828  553.457   60.605  643.100   85.753  464.000   85.663   73.175   4.9926   61.866   5.9367 11.30864 7.756923 
1 1 1   17    3   18 o   37.440   2.4069  166.731   21.167  187.200   29.948  146.300   29.920   39.570   3.2333   34.875   3.6892 4.695679 4.905580 
1 1 1   17    3   19 f  108.923   6.0319  1437.58  154.537  1502.30  218.501  1372.80  218.597  110.008   8.4767  104.866   8.9122 5.142006 12.29967 
1 1 1   17    3   20 o   53.393   3.1126  340.053   39.073  378.000   55.292  302.200   55.224   56.075   4.2063   49.978   4.7358 6.097187 6.334124 
1 1 1   17    3   21 o   96.104   5.3617  1118.57  121.192  1148.90  171.328  1088.20  171.455   96.203   7.6038   93.470   7.8406 2.733528 10.92211 
1 1 1   17    3   22 o   85.136   4.4250  872.952   88.652  1056.80  125.561  690.200  125.186   93.088   5.7401   74.450   7.2112 18.63786 9.216857 
1 1 1   17    3   23 o  106.309   5.7845  1381.80  144.663  1590.40  204.683  1173.60  204.486  112.573   7.7470   95.498   9.1811 17.07577 12.01287 
1 1 1   17    3   24 o   19.072   1.7741   43.458   7.8980   42.100   11.202   44.800   11.137   18.638   2.6175   19.256   2.5089 -0.6186256 3.625708 
1 1 1   17    3   25 o   44.919   2.7139  241.094   28.652  258.000   40.587  224.300   40.452   46.230   3.7502   43.010   4.0300 3.220356 5.505023 
1 1 1   17    3   26 o   37.649   2.3361  169.123   20.666  189.300   29.282  149.100   29.171   39.678   3.1513   35.088   3.5705 4.589989 4.762207 
1 1 1   17    3   27 o   41.753   3.7973  211.400   37.030  211.400   37.030   0.0000   0.0000   41.753   3.7973  ?   ?  0.000000 3.797347 
1 1 1   17    3   28 o   69.979   5.8721  611.500   96.137  611.500   96.137   0.0000   0.0000   69.979   5.8721  ?   ?  0.000000 5.872109 
1 1 1   17    3   29 o   57.831   4.9488  413.400   66.929  413.400   66.929   0.0000   0.0000   57.831   4.9488  ?   ?  0.000000 4.948753 
1 1 1   17    3   30 o   60.957   5.2341  464.900   74.610  464.900   74.610   0.0000   0.0000   60.957   5.2341  ?   ?  0.000000 5.234103 
1 1 1   17    3   31 o   50.986   4.4951  323.100   53.566  323.100   53.566   0.0000   0.0000   50.986   4.4951  ?   ?  0.000000 4.495086 
1 1 1   17    3   32 o   8.9705   2.2712  10.0000   4.8157  10.0000   4.8157   0.0000   0.0000   8.9705   2.2712  ?   ?  0.000000 2.271207 
1 1 1   17    3   33 o   13.672   2.5774   23.200   8.0156   23.200   8.0156   0.0000   0.0000   13.672   2.5774  ?   ?  0.000000 2.577382 
1 1 1   17    3   34 o   15.615   2.5319   30.100   9.0161   30.100   9.0161   0.0000   0.0000   15.615   2.5319  ?   ?  0.000000 2.531884 
1 1 1   17    3   35 o   19.421   2.6229   46.400   11.721   46.400   11.721   0.0000   0.0000   19.421   2.6229  ?   ?  0.000000 2.622931 
1 1 1   17    3   36 o   18.679   2.6071   43.000   11.185   43.000   11.185   0.0000   0.0000   18.679   2.6071  ?   ?  0.000000 2.607063 
1 1 1   17    3   37 o   43.301   4.0473  237.500   40.904  237.500   40.904   0.0000   0.0000   43.301   4.0473  ?   ?  0.000000 4.047340 
1 1 1   17    3   38 o   6.7718   2.2339   5.3000   4.1465   5.3000   4.1465   0.0000   0.0000   6.7718   2.2339  ?   ?  0.000000 2.233934 
1 1 1   17    3   39 o   23.648   2.8176   69.400   15.424   69.400   15.424   0.0000   0.0000   23.648   2.8176  ?   ?  0.000000 2.817602 
1 1 1   17    3   40 o   23.199   2.7977   67.100   15.017   67.100   15.017   0.0000   0.0000   23.199   2.7977  ?   ?  0.000000 2.797693 
1 1 1   17    3   41 o   18.727   2.6234   43.900   11.283   43.900   11.283   0.0000   0.0000   18.727   2.6234  ?   ?  0.000000 2.623433 
1 1 1   17    3   42 o   12.328   2.4457   19.300   6.8683   19.300   6.8683   0.0000   0.0000   12.328   2.4457  ?   ?  0.000000 2.445690 
1 1 1   17    3   43 o   18.784   2.6564   44.700   11.454   44.700   11.454   0.0000   0.0000   18.784   2.6564  ?   ?  0.000000 2.656388 
1 1 1   17    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    3   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4    0 o  228.248   18.038  6471.40  958.239  6471.40  958.239  6471.40  958.239  228.248   18.038  228.248   18.038 0.000000 0.000000 
1 1 1   17    4    1 o   57.274   3.2925  389.461   44.342  421.500   62.747  357.500   62.670   59.453   4.5028   54.670   4.9068 4.783012 6.659725 
1 1 1   17    4    2 o  124.004   6.2482  1835.19  182.372  2196.50  258.186  1475.40  257.642  135.212   8.1241  110.189   10.011 25.02302 12.89272 
1 1 1   17    4    3 o   44.461   2.7297  234.642   28.520  250.000   40.343  219.300   40.323   45.792   3.7643   42.835   4.0341 2.957588 5.517561 
1 1 1   17    4    4 o  113.404   6.0375  1534.79  161.095  1807.30  227.912  1262.70  227.734  122.637   7.9123  101.973   9.5695 20.66418 12.41695 
1 1 1   17    4    5 o  126.793   6.6442  1922.13  198.236  2167.40  280.530  1677.50  280.166  134.010   8.9160  117.410   10.207 16.59912 13.55261 
1 1 1   17    4    6 o   69.106   3.9239  567.675   63.768  634.200   90.165  501.100   90.199   72.867   5.2758   64.609   5.9799 8.257965 7.974581 
1 1 1   17    4    7 o  136.765   7.2680  2242.58  233.880  2476.90  330.872  2008.60  330.640  142.856   9.8689  128.132   11.035 14.72423 14.80466 
1 1 1   17    4    8 o   82.069   4.2788  800.986   82.633  932.300  117.023  670.400  116.699   88.336   5.6395   74.648   6.6914 13.68789 8.750966 
1 1 1   17    4    9 o  150.730   8.1069  2735.83  287.487  2865.30  406.682  2606.50  406.455  152.861   11.348  145.470   11.938 7.390320 16.47054 
1 1 1   17    4   10 o  170.883   9.0956  3535.56  365.701  3853.40  517.413  3218.30  516.945  176.514   12.494  160.457   13.777 16.05634 18.59878 
1 1 1   17    4   11 o  106.716   5.8191  1361.95  146.084  1386.50  206.588  1337.40  206.600  107.001   8.2397  105.026   8.4008 1.974449 11.76712 
1 1 1   17    4   12 o  229.697   12.555  6557.99  678.413  7453.90  959.643  5662.90  959.200  239.974   17.046  205.701   20.000 34.27266 26.27877 
1 1 1   17    4   13 o   88.206   4.8828  929.014  101.305  965.700  143.240  892.300  143.294   89.464   6.8320   85.895   7.1292 3.569275 9.874331 
1 1 1   17    4   14 f   39.098   2.4858  181.635   22.830  195.700   32.304  167.600   32.270   40.481   3.4113   37.398   3.7027 3.082394 5.034576 
1 1 1   17    4   15 f  106.286   5.7818  1356.29  144.565  1522.50  204.483  1190.20  204.408  111.893   7.7877   98.424   8.8909 13.46885 11.81932 
1 1 1   17    4   16 o   84.254   4.5823  848.817   90.824  997.100  128.503  700.800  128.388   90.939   6.0182   75.789   7.2628 15.14972 9.432226 
1 1 1   17    4   17 o   92.063   5.1139  1017.43  110.735  1095.80  156.576  939.000  156.632   94.872   7.0393   87.541   7.6541 7.330833 10.39887 
1 1 1   17    4   18 o   53.201   3.1156  337.211   38.969  376.000   55.139  298.500   55.083   55.989   4.2011   49.735   4.7479 6.254436 6.339709 
1 1 1   17    4   19 o   50.120   3.0032  299.403   35.379  316.000   50.030  282.800   50.038   51.278   4.1678   48.436   4.4237 2.841930 6.077822 
1 1 1   17    4   20 o   71.842   4.0746  618.657   68.838  651.300   97.342  586.000   97.362   73.213   5.6749   69.304   6.0088 3.908524 8.264989 
1 1 1   17    4   21 o   33.836   2.2789  136.347   18.102  138.000   25.626  134.700   25.575   33.893   3.2414   33.475   3.2775 0.4177055 4.609604 
1 1 1   17    4   22 o   83.581   4.6582  843.555   91.570  918.100  129.539  769.100  129.461   86.374   6.3966   78.678   7.0428 7.696251 9.514069 
1 1 1   17    4   23 o   61.954   3.4125  459.746   49.732  541.400   70.419  378.500   70.243   66.913   4.4827   55.576   5.4215 11.33644 7.034708 
1 1 1   17    4   24 o   38.923   2.5155  180.812   22.997  192.500   32.506  169.100   32.539   39.976   3.4781   37.390   3.7354 2.586136 5.104006 
1 1 1   17    4   25 f   30.203   2.0956  108.766   14.854  117.700   21.046   99.900   20.966   31.295   2.8804   28.760   3.1382 2.534950 4.259658 
1 1 1   17    4   26 o   29.388   2.0757  103.027   14.312  108.700   20.282   97.400   20.198   30.050   2.8941   28.397   3.0605 1.653461 4.212181 
1 1 1   17    4   27 o   32.814   2.2073  128.529   17.004  133.800   24.095  123.300   24.000   33.311   3.0988   31.937   3.2266 1.373833 4.473658 
1 1 1   17    4   28 o   10.009   2.3355   12.400   5.4189   12.400   5.4189   0.0000   0.0000   10.009   2.3355  ?   ?  0.000000 2.335473 
1 1 1   17    4   29 o   24.022   2.7831   69.900   15.494   69.900   15.494   0.0000   0.0000   24.022   2.7831  ?   ?  0.000000 2.783073 
1 1 1   17    4   30 o   47.554   4.2186  278.300   46.879  278.300   46.879   0.0000   0.0000   47.554   4.2186  ?   ?  0.000000 4.218571 
1 1 1   17    4   31 o   6.1498   2.0288   4.3000   3.4199   4.3000   3.4199   0.0000   0.0000   6.1498   2.0288  ?   ?  0.000000 2.028785 
1 1 1   17    4   32 o   25.963   2.8840   82.300   17.383   82.300   17.383   0.0000   0.0000   25.963   2.8840  ?   ?  0.000000 2.883993 
1 1 1   17    4   33 o   6.0846   2.0206   4.2000   3.3905   4.2000   3.3905   0.0000   0.0000   6.0846   2.0206  ?   ?  0.000000 2.020650 
1 1 1   17    4   34 o   29.298   3.0777  105.600   20.974  105.600   20.974   0.0000   0.0000   29.298   3.0777  ?   ?  0.000000 3.077734 
1 1 1   17    4   35 o   15.532   2.4887   29.800   8.8194   29.800   8.8194   0.0000   0.0000   15.532   2.4887  ?   ?  0.000000 2.488727 
1 1 1   17    4   36 o   17.389   2.5538   37.300   10.174   37.300   10.174   0.0000   0.0000   17.389   2.5538  ?   ?  0.000000 2.553760 
1 1 1   17    4   37 f   30.947   3.1987  118.800   23.038  118.800   23.038   0.0000   0.0000   30.947   3.1987  ?   ?  0.000000 3.198680 
1 1 1   17    4   38 o   24.749   2.8516   75.700   16.360   75.700   16.360   0.0000   0.0000   24.749   2.8516  ?   ?  0.000000 2.851618 
1 1 1   17    4   39 f   9.0106   2.4086   10.200   5.2235   10.200   5.2235   0.0000   0.0000   9.0106   2.4086  ?   ?  0.000000 2.408650 
1 1 1   17    4   40 o   11.806   2.4672   17.600   6.6564   17.600   6.6564   0.0000   0.0000   11.806   2.4672  ?   ?  0.000000 2.467233 
1 1 1   17    4   41 o   17.682   2.6096   39.200   10.569   39.200   10.569   0.0000   0.0000   17.682   2.6096  ?   ?  0.000000 2.609628 
1 1 1   17    4   42 o   23.902   2.9273   72.500   16.177   72.500   16.177   0.0000   0.0000   23.902   2.9273  ?   ?  0.000000 2.927349 
1 1 1   17    4   43 o   18.588   2.6562   43.800   11.327   43.800   11.327   0.0000   0.0000   18.588   2.6562  ?   ?  0.000000 2.656170 
1 1 1   17    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    4   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5    0 o   49.425   4.3078  295.500   49.398  295.500   49.398  295.500   49.398   49.425   4.3078   49.425   4.3078 0.000000 0.000000 
1 1 1   17    5    1 o   57.184   3.3140  388.294   44.558  383.500   62.974  393.100   63.054   56.658   4.7508   57.376   4.6951 -0.7177696 6.679375 
1 1 1   17    5    2 o   29.112   2.0475  100.647   13.986  113.000   19.821   88.400   19.737   30.789   2.7555   27.154   3.1357 3.634483 4.174373 
1 1 1   17    5    3 f  244.419   13.441  7354.98  772.760  7909.40  1092.72  6800.30  1092.98  248.786   18.738  228.981   20.428 19.80460 27.72050 
1 1 1   17    5    4 o  142.647   7.7003  2441.54  258.417  2635.30  365.463  2247.80  365.450  147.191   10.585  135.507   11.531 11.68387 15.65273 
1 1 1   17    5    5 o   39.761   2.4412  187.620   22.810  216.800   32.302  158.600   32.213   42.678   3.2292   36.394   3.8047 6.284977 4.990282 
1 1 1   17    5    6 o  193.856   10.537  4567.04  480.555  5084.50  679.582  4049.50  679.633  202.185   14.327  179.035   16.253 23.15013 21.66615 
1 1 1   17    5    7 o  148.980   7.4167  2655.95  260.915  3446.80  369.270  1867.50  368.710  168.836   9.2981  122.681   12.922 46.15504 15.91954 
1 1 1   17    5    8 o  162.666   8.1972  3185.32  313.852  3802.90  444.298  2570.20  443.410  176.609   10.704  143.853   13.201 32.75549 16.99526 
1 1 1   17    5    9 o  157.329   8.0432  2980.50  297.815  3459.00  421.547  2503.70  420.802  168.310   10.662  142.103   12.673 26.20708 16.56161 
1 1 1   17    5   10 o   95.939   4.9500  1097.16  111.758  1280.70  158.242  914.500  157.858  103.328   6.5189   86.936   7.7716 16.39250 10.14361 
1 1 1   17    5   11 o  100.173   5.4474  1198.91  128.372  1280.40  181.593  1117.50  181.497  102.994   7.5186   96.018   8.0800 6.976135 11.03698 
1 1 1   17    5   12 o  134.918   6.9010  2188.38  219.124  2610.10  310.209  1768.40  309.569  146.478   9.0123  119.530   11.094 26.94807 14.29351 
1 1 1   17    5   13 o   95.241   5.1766  1084.43  115.983  1153.70  164.104  1015.30  163.945   97.702   7.1630   91.467   7.6611 6.234436 10.48809 
1 1 1   17    5   14 o   45.321   2.7871  244.161   29.683  264.600   41.966  223.700   41.989   47.054   3.8096   43.184   4.1696 3.870560 5.647882 
1 1 1   17    5   15 o   79.190   4.4147  748.943   82.224  745.100  116.175  752.800  116.390   78.521   6.3192   78.934   6.2968 -0.4131012 8.920821 
1 1 1   17    5   16 o  119.447   6.5665  1724.73  184.502  1817.10  260.880  1632.30  260.970  121.293   9.1763  114.611   9.7349 6.682037 13.37808 
1 1 1   17    5   17 f   44.960   2.7829  240.571   29.399  253.300   41.542  227.800   41.612   45.973   3.8624   43.539   4.0955 2.434044 5.629515 
1 1 1   17    5   18 o   80.240   4.4985  771.813   84.893  861.200  120.047  682.400  120.065   84.265   6.0738   74.670   6.8870 9.595215 9.182728 
1 1 1   17    5   19 o   75.252   4.1611  678.449   73.655  763.300  104.226  593.800  104.102   79.381   5.5961   69.688   6.3975 9.693161 8.499701 
1 1 1   17    5   20 o   11.594   1.6215   16.209   4.3177   13.400   6.1156   19.000   6.0967   10.422   2.5141   12.490   2.1444 -2.067929 3.304428 
1 1 1   17    5   21 o   49.766   2.9711  295.581   34.756  319.300   49.172  271.900   49.132   51.494   4.0772   47.404   4.4410 4.090458 6.028713 
1 1 1   17    5   22 o   77.550   4.3625  724.836   79.562  772.300  112.534  677.400  112.501   79.323   6.0536   74.047   6.4998 5.275818 8.882252 
1 1 1   17    5   23 o   88.941   4.9206  959.317  102.941  1072.40  145.634  846.400  145.527   93.044   6.6727   82.040   7.5983 11.00462 10.11233 
1 1 1   17    5   24 o   27.492   1.9736   90.071   12.727  108.600   18.037   71.700   17.960   30.115   2.5607   24.305   3.2077 5.810316 4.104503 
1 1 1   17    5   25 o   66.257   3.8161  528.802   59.452  529.400   83.931  528.200   84.225   65.620   5.4663   65.532   5.4936 0.8821869E-01 7.749816 
1 1 1   17    5   26 o   15.325   1.5795   28.111   5.6342   32.500   8.0520   23.900   7.8865   16.409   2.1282   13.969   2.4818 2.440128 3.269284 
1 1 1   17    5   27 o   30.256   2.1538  109.309   15.287  107.800   21.687  110.800   21.552   29.861   3.1218   30.293   3.0547 -0.4315529 4.367723 
1 1 1   17    5   28 o   36.673   2.1248  160.410   18.321  197.400   25.995  123.900   25.826   40.570   2.7294   31.921   3.4828 8.649002 4.424818 
1 1 1   17    5   29 o   14.689   2.4346   26.400   8.1490   26.400   8.1490   0.0000   0.0000   14.689   2.4346  ?   ?  0.000000 2.434634 
1 1 1   17    5   30 o   39.468   3.6683  190.400   33.797  190.400   33.797   0.0000   0.0000   39.468   3.6683  ?   ?  0.000000 3.668298 
1 1 1   17    5   31 o   6.9925   2.1773   5.8000   3.9803   5.8000   3.9803   0.0000   0.0000   6.9925   2.1773  ?   ?  0.000000 2.177328 
1 1 1   17    5   32 f   16.850   2.5012   34.800   9.6502   34.800   9.6502   0.0000   0.0000   16.850   2.5012  ?   ?  0.000000 2.501248 
1 1 1   17    5   33 o   7.6209   2.2145   7.1000   4.2225   7.1000   4.2225   0.0000   0.0000   7.6209   2.2145  ?   ?  0.000000 2.214544 
1 1 1   17    5   34 o   27.363   2.9679   92.000   18.869   92.000   18.869   0.0000   0.0000   27.363   2.9679  ?   ?  0.000000 2.967937 
1 1 1   17    5   35 o   15.922   2.5040   31.300   9.1037   31.300   9.1037   0.0000   0.0000   15.922   2.5040  ?   ?  0.000000 2.504049 
1 1 1   17    5   36 o   54.588   4.9412  386.900   63.004  386.900   63.004   0.0000   0.0000   54.588   4.9412  ?   ?  0.000000 4.941249 
1 1 1   17    5   37 o   36.486   3.5557  166.500   30.245  166.500   30.245   0.0000   0.0000   36.486   3.5557  ?   ?  0.000000 3.555691 
1 1 1   17    5   38 o   49.871   4.5922  322.300   53.472  322.300   53.472   0.0000   0.0000   49.871   4.5922  ?   ?  0.000000 4.592178 
1 1 1   17    5   39 o   23.983   2.8425   71.500   15.784   71.500   15.784   0.0000   0.0000   23.983   2.8425  ?   ?  0.000000 2.842521 
1 1 1   17    5   40 f   51.322   4.8702  354.700   58.315  354.700   58.315   0.0000   0.0000   51.322   4.8702  ?   ?  0.000000 4.870197 
1 1 1   17    5   41 o   4.1245   1.6540   1.0000   2.4530   1.0000   2.4530   0.0000   0.0000   4.1245   1.6540  ?   ?  0.000000 1.654031 
1 1 1   17    5   42 o   20.669   2.7098   53.900   12.907   53.900   12.907   0.0000   0.0000   20.669   2.7098  ?   ?  0.000000 2.709783 
1 1 1   17    5   43 o   3.5779   1.5437  -0.2000   2.3765  -0.2000   2.3765   0.0000   0.0000   3.5779   1.5437  ?   ?  0.000000 1.543705 
1 1 1   17    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    5   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6    0 o   27.585   3.0121   93.100   19.026   93.100   19.026   93.100   19.026   27.585   3.0121   27.585   3.0121 0.000000 0.000000 
1 1 1   17    6    1 o   98.803   5.3525  1163.34  124.413  1096.10  175.863  1230.70  176.030   95.378   7.8790  101.212   7.4170 -5.834274 10.82083 
1 1 1   17    6    2 o  107.351   5.8140  1374.97  146.832  1442.90  207.694  1307.10  207.609  109.453   8.0933  104.033   8.5260 5.419922 11.75557 
1 1 1   17    6    3 o   16.932   1.6071   34.174   6.3485   45.800   9.0077   22.700   8.9490   19.588   1.9744   13.597   2.8770 5.990668 3.489305 
1 1 1   17    6    4 o  177.521   9.6305  3811.90  402.190  3936.30  568.667  3687.40  568.899  178.315   13.608  172.260   14.110 6.054657 19.60258 
1 1 1   17    6    5 o   80.921   4.4142  779.019   84.030  869.900  118.889  688.300  118.783   85.275   5.9413   75.656   6.7188 9.618195 8.968898 
1 1 1   17    6    6 o  191.527   10.136  4451.42  456.762  4939.80  646.277  3964.00  645.641  199.532   13.801  177.482   15.563 22.04919 20.80072 
1 1 1   17    6    7 o   50.038   2.8744  297.207   33.820  373.000   47.875  221.700   47.784   55.996   3.6405   42.946   4.7937 13.04965 6.019365 
1 1 1   17    6    8 o  164.894   8.0810  3265.62  314.651  3930.60  445.512  2603.80  444.456  179.553   10.554  144.723   13.149 34.82994 16.86079 
1 1 1   17    6    9 o  223.846   11.450  6145.95  603.187  7170.50  853.849  5125.30  852.222  238.456   15.244  198.613   18.380 39.84282 23.87835 
1 1 1   17    6   10 o  138.918   7.2430  2319.85  236.771  2557.80  335.202  2082.90  334.491  144.809   9.8615  130.102   10.991 14.70773 14.76626 
1 1 1   17    6   11 o   87.090   4.5577  903.811   93.403  1045.70  132.251  762.600  131.934   93.386   6.0295   79.432   7.1091 13.95389 9.321695 
1 1 1   17    6   12 o   24.612   1.9205   72.043   11.073   75.700   15.674   68.400   15.645   25.148   2.6808   23.870   2.8308 1.278158 3.898739 
1 1 1   17    6   13 o   91.012   4.9816  989.966  106.655  1069.40  150.865  910.600  150.800   94.112   6.8352   86.623   7.4447 7.489288 10.10664 
1 1 1   17    6   14 o   77.099   4.2007  708.923   76.189  789.200  107.833  628.900  107.662   81.037   5.6709   72.117   6.3882 8.919937 8.542144 
1 1 1   17    6   15 o   61.586   3.5118  451.763   50.859  489.900   71.961  413.700   71.890   63.906   4.8038   58.602   5.2508 5.304054 7.116697 
1 1 1   17    6   16 o  130.971   7.1896  2083.81  221.503  2267.80  313.245  1899.80  313.262  134.988   9.8961  122.815   10.916 12.17332 14.73366 
1 1 1   17    6   17 o   58.270   3.3709  404.777   46.184  452.500   65.330  357.100   65.299   61.389   4.5389   54.358   5.1486 7.031261 6.863650 
1 1 1   17    6   18 o   21.891   1.8439   57.101   9.4429   55.600   13.358   58.600   13.351   21.486   2.6918   22.079   2.6113 -0.5930386 3.750334 
1 1 1   17    6   19 o   68.028   3.8641  553.829   61.817  594.600   87.444  513.100   87.399   70.082   5.3238   64.935   5.7597 5.147743 7.843268 
1 1 1   17    6   20 o   12.982   1.6245   20.250   4.8711   23.700   6.8888   16.800   6.8888   13.982   2.1558   11.673   2.5688 2.308462 3.353577 
1 1 1   17    6   21 o   97.921   5.4562  1164.30  125.660  1242.90  177.709  1085.70  177.713   99.918   7.5886   92.967   8.1784 6.950821 11.15677 
1 1 1   17    6   22 o   38.313   2.4044  174.937   21.642  206.100   30.637  143.900   30.575   41.468   3.1524   34.469   3.8207 6.998192 4.953322 
1 1 1   17    6   23 o   79.468   4.5400  763.636   84.840  785.400  119.748  741.700  120.218   79.674   6.4193   77.283   6.6524 2.390915 9.244538 
1 1 1   17    6   24 o   32.088   2.2532  122.842   16.964  131.900   23.937  113.700   24.046   33.108   3.0977   30.661   3.3773 2.447306 4.582772 
1 1 1   17    6   25 o   98.322   5.5703  1186.71  128.796  1205.00  181.842  1168.30  182.448   97.153   7.9974   95.501   8.1690 1.652473 11.43207 
1 1 1   17    6   26 o   12.235   1.5882   18.027   4.4803   19.400   6.3914   16.700   6.2821   12.594   2.2308   11.644   2.3655 0.9503307 3.251411 
1 1 1   17    6   27 o   39.313   2.5252  184.851   23.318  184.600   33.038  185.100   32.914   39.022   3.6269   39.081   3.6073 -0.5854416E-01 5.115418 
1 1 1   17    6   28 o   28.325   1.9423   95.725   12.913  109.600   18.345   82.100   18.179   30.201   2.5977   26.019   3.0147 4.181736 3.979461 
1 1 1   17    6   29 o   63.122   3.6828  483.351   54.656  490.000   77.290  476.700   77.299   62.694   5.2697   61.782   5.3513 0.9121017 7.510368 
1 1 1   17    6   30 o   27.841   2.9762   94.200   19.263   94.200   19.263   0.0000   0.0000   27.841   2.9762  ?   ?  0.000000 2.976178 
1 1 1   17    6   31 o   13.595   2.4696   22.800   7.6359   22.800   7.6359   0.0000   0.0000   13.595   2.4696  ?   ?  0.000000 2.469631 
1 1 1   17    6   32 o   17.658   2.5423   38.200   10.295   38.200   10.295   0.0000   0.0000   17.658   2.5423  ?   ?  0.000000 2.542329 
1 1 1   17    6   33 o   49.163   4.4259  304.600   50.831  304.600   50.831   0.0000   0.0000   49.163   4.4259  ?   ?  0.000000 4.425945 
1 1 1   17    6   34 o   16.061   2.5083   31.800   9.2016   31.800   9.2016   0.0000   0.0000   16.061   2.5083  ?   ?  0.000000 2.508269 
1 1 1   17    6   35 o   53.171   4.8040  364.200   59.666  364.200   59.666   0.0000   0.0000   53.171   4.8040  ?   ?  0.000000 4.804039 
1 1 1   17    6   36 o   18.770   2.5829   43.400   11.145   43.400   11.145   0.0000   0.0000   18.770   2.5829  ?   ?  0.000000 2.582864 
1 1 1   17    6   37 o   26.389   2.9583   86.100   18.117   86.100   18.117   0.0000   0.0000   26.389   2.9583  ?   ?  0.000000 2.958285 
1 1 1   17    6   38 o   29.744   3.1335  110.000   21.678  110.000   21.678   0.0000   0.0000   29.744   3.1335  ?   ?  0.000000 3.133549 
1 1 1   17    6   39 o   24.894   2.9030   77.200   16.745   77.200   16.745   0.0000   0.0000   24.894   2.9030  ?   ?  0.000000 2.903020 
1 1 1   17    6   40 o   20.836   2.7059   54.200   12.999   54.200   12.999   0.0000   0.0000   20.836   2.7059  ?   ?  0.000000 2.705907 
1 1 1   17    6   41 o   12.557   2.5192   20.000   7.2100   20.000   7.2100   0.0000   0.0000   12.557   2.5192  ?   ?  0.000000 2.519170 
1 1 1   17    6   42 o   15.908   2.5645   32.000   9.3056   32.000   9.3056   0.0000   0.0000   15.908   2.5645  ?   ?  0.000000 2.564457 
1 1 1   17    6   43 f   15.254   2.7028   29.800   9.3790   29.800   9.3790   0.0000   0.0000   15.254   2.7028  ?   ?  0.000000 2.702772 
1 1 1   17    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    6   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7    0 o  186.754   14.675  4293.90  637.950  4293.90  637.950  4293.90  637.950  186.754   14.675  186.754   14.675 0.000000 0.000000 
1 1 1   17    7    1 o   93.599   4.9665  1043.20  109.377  1190.30  154.813  896.600  154.552   99.686   6.6143   86.227   7.6706 13.45982 10.12853 
1 1 1   17    7    2 o   57.470   3.2729  392.194   44.232  449.700   62.584  334.800   62.523   61.428   4.3426   52.853   5.0720 8.575459 6.677051 
1 1 1   17    7    3 o   60.426   3.4618  433.733   49.189  447.000   69.608  420.500   69.520   61.169   4.8591   59.293   5.0122 1.875397 6.980938 
1 1 1   17    7    4 o   71.461   3.9790  607.105   66.878  716.900   94.598  497.400   94.560   77.499   5.1994   64.298   6.3093 13.20074 8.175589 
1 1 1   17    7    5 o   98.036   5.1248  1145.16  118.225  1333.20  167.349  957.800  167.041  105.462   6.7554   89.018   8.0332 16.44428 10.49611 
1 1 1   17    7    6 o  101.689   5.5066  1233.80  131.734  1344.80  186.342  1122.90  186.257  105.714   7.5137   96.355   8.2662 9.359573 11.17069 
1 1 1   17    7    7 o   5.7411   1.5682   4.0175   2.1861   4.7000   3.0537   3.3000   3.1310   6.2879   1.8978   5.5916   1.9405 0.6962843 2.714252 
1 1 1   17    7    8 o  131.405   7.0732  2072.54  218.669  2206.40  309.310  1938.80  309.177  134.605   9.7986  125.850   10.500 8.754814 14.36158 
1 1 1   17    7    9 f   67.729   3.6812  545.333   58.653  630.200   83.030  460.800   82.866   72.649   4.8682   61.920   5.7324 10.72866 7.520622 
1 1 1   17    7   10 o   75.352   4.1372  675.923   73.333  774.500  103.749  577.500  103.668   80.435   5.4952   69.213   6.4160 11.22216 8.447575 
1 1 1   17    7   11 o  118.523   6.2258  1684.50  173.634  1907.50  245.723  1462.10  245.390  125.396   8.3462  109.225   9.6121 16.17153 12.72995 
1 1 1   17    7   12 o  160.252   8.6047  3121.69  324.421  3375.90  458.994  2867.90  458.607  164.562   11.892  150.839   13.003 13.72253 17.62052 
1 1 1   17    7   13 o  133.966   7.2287  2168.30  227.828  2299.90  322.313  2036.90  322.082  136.551   10.067  128.084   10.748 8.467316 14.72645 
1 1 1   17    7   14 o   30.501   2.1457  110.603   15.356  106.700   21.723  114.500   21.709   29.837   3.1298   30.936   3.0099 -1.098969 4.342265 
1 1 1   17    7   15 o  114.502   5.8878  1577.54  158.655  1863.70  224.612  1292.60  224.132  123.663   7.7307  102.120   9.4001 21.54230 12.17066 
1 1 1   17    7   16 o   89.968   4.9322  970.799  104.383  1051.60  147.667  890.100  147.574   93.022   6.7690   85.302   7.3996 7.719398 10.02866 
1 1 1   17    7   17 o   97.546   5.3915  1146.00  123.707  1279.20  174.946  1012.80  174.950  102.261   7.2927   90.474   8.2808 11.78751 11.03427 
1 1 1   17    7   18 o   43.990   2.7201  230.449   28.117  237.000   39.765  223.900   39.761   44.430   3.8276   43.153   3.9456 1.277412 5.497076 
1 1 1   17    7   19 o   54.474   3.2025  354.142   41.013  376.000   58.012  332.300   57.990   55.869   4.4337   52.426   4.7355 3.443359 6.487111 
1 1 1   17    7   20 o   63.987   3.6447  490.056   54.841  546.000   77.588  434.200   77.527   67.187   4.9247   59.670   5.5665 7.516697 7.432251 
1 1 1   17    7   21 o   31.724   2.1959  119.900   16.349  128.800   23.120  111.000   23.120   32.759   3.0229   30.345   3.2787 2.414810 4.459588 
1 1 1   17    7   22 o   70.370   3.9411  595.269   65.226  669.800   92.294  520.900   92.194   74.137   5.3071   65.012   6.0759 9.124115 8.067315 
1 1 1   17    7   23 o   25.904   2.0215   80.043   12.267   96.400   17.326   63.600   17.372   28.355   2.6172   22.849   3.3165 5.505663 4.224853 
1 1 1   17    7   24 o   54.830   3.2804  360.503   42.277  382.300   59.717  338.600   59.861   56.080   4.5487   52.645   4.8705 3.434967 6.664282 
1 1 1   17    7   25 o   12.500   1.6658   18.835   4.7945   22.200   6.7462   15.400   6.8153   13.503   2.1908   11.153   2.6305 2.350379 3.423363 
1 1 1   17    7   26 o   30.193   2.0753  108.743   14.706  122.900   20.840   94.700   20.756   31.984   2.7872   27.960   3.2014 4.024231 4.244710 
1 1 1   17    7   27 o   39.529   2.3983  186.694   22.280  219.800   31.584  153.900   31.435   42.728   3.1526   35.542   3.8045 7.185574 4.941008 
1 1 1   17    7   28 o   45.439   2.6433  247.296   28.240  283.200   40.052  211.800   39.824   48.377   3.5305   41.614   4.1062 6.762978 5.415271 
1 1 1   17    7   29 o   43.394   2.6538  226.055   27.063  246.000   38.316  206.200   38.230   44.957   3.6405   41.006   3.9990 3.950687 5.407876 
1 1 1   17    7   30 o   37.361   2.2110  167.108   19.419  197.900   27.573  136.800   27.355   40.476   2.9041   33.426   3.5185 7.049694 4.562207 
1 1 1   17    7   31 o   45.829   4.1358  260.400   44.274  260.400   44.274   0.0000   0.0000   45.829   4.1358  ?   ?  0.000000 4.135777 
1 1 1   17    7   32 o   16.248   2.4758   32.400   9.1989   32.400   9.1989   0.0000   0.0000   16.248   2.4758  ?   ?  0.000000 2.475769 
1 1 1   17    7   33 o   25.216   2.8517   77.900   16.682   77.900   16.682   0.0000   0.0000   25.216   2.8517  ?   ?  0.000000 2.851730 
1 1 1   17    7   34 o   22.564   2.7371   62.500   14.285   62.500   14.285   0.0000   0.0000   22.564   2.7371  ?   ?  0.000000 2.737072 
1 1 1   17    7   35 o   58.419   5.2663  446.600   71.867  446.600   71.867   0.0000   0.0000   58.419   5.2663  ?   ?  0.000000 5.266330 
1 1 1   17    7   36 o   16.226   2.5640   32.600   9.4980   32.600   9.4980   0.0000   0.0000   16.226   2.5640  ?   ?  0.000000 2.564046 
1 1 1   17    7   37 o   12.130   2.4411   18.400   6.7499   18.400   6.7499   0.0000   0.0000   12.130   2.4411  ?   ?  0.000000 2.441057 
1 1 1   17    7   38 o   50.679   4.6816  335.200   55.392  335.200   55.392   0.0000   0.0000   50.679   4.6816  ?   ?  0.000000 4.681559 
1 1 1   17    7   39 o   31.092   3.2544  121.500   23.539  121.500   23.539   0.0000   0.0000   31.092   3.2544  ?   ?  0.000000 3.254387 
1 1 1   17    7   40 o   12.738   2.5117   20.500   7.2866   20.500   7.2866   0.0000   0.0000   12.738   2.5117  ?   ?  0.000000 2.511683 
1 1 1   17    7   41 o   22.977   2.8104   66.400   14.931   66.400   14.931   0.0000   0.0000   22.977   2.8104  ?   ?  0.000000 2.810431 
1 1 1   17    7   42 o   24.594   2.9383   76.900   16.726   76.900   16.726   0.0000   0.0000   24.594   2.9383  ?   ?  0.000000 2.938325 
1 1 1   17    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    7   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8    0 o   26.380   2.9583   85.300   17.833   85.300   17.833   85.300   17.833   26.380   2.9583   26.380   2.9583 0.000000 0.000000 
1 1 1   17    8    1 o  111.678   6.0505  1489.83  158.964  1546.30  224.853  1433.40  224.766  113.160   8.4763  108.826   8.8224 4.333992 12.23453 
1 1 1   17    8    2 o   46.375   2.8170  255.350   30.703  268.900   43.421  241.800   43.421   47.476   3.9078   44.973   4.1350 2.502556 5.689380 
1 1 1   17    8    3 o  114.329   6.1894  1562.28  166.473  1631.80  235.467  1492.80  235.390  116.193   8.6438  110.979   9.0613 5.214531 12.52290 
1 1 1   17    8    4 o   79.118   4.3247  744.719   80.491  825.600  113.889  664.000  113.775   83.066   5.8435   74.314   6.5506 8.752052 8.778151 
1 1 1   17    8    5 o  102.919   5.4207  1263.47  131.275  1443.40  185.794  1084.10  185.507  109.607   7.2189   94.618   8.3898 14.98833 11.06800 
1 1 1   17    8    6 o   74.945   4.1890  668.298   73.836  735.300  104.422  601.300  104.418   78.380   5.6804   70.717   6.3196 7.663307 8.497289 
1 1 1   17    8    7 o  212.449   11.626  5542.79  581.017  6187.60  821.688  4898.00  821.676  220.914   15.857  194.433   18.105 26.48090 24.06703 
1 1 1   17    8    8 o   96.829   5.3311  1119.43  121.426  1205.80  171.691  1033.00  171.753  100.027   7.3197   92.370   7.9518 7.657654 10.80784 
1 1 1   17    8    9 o  135.555   7.3555  2211.65  234.563  2200.10  331.745  2223.20  331.698  133.852   10.582  134.587   10.521 -0.7345428 14.92202 
1 1 1   17    8   10 o   72.572   4.0677  627.142   69.427  643.700   98.206  610.600   98.162   73.228   5.7250   71.275   5.8850 1.953033 8.210253 
1 1 1   17    8   11 o  124.329   6.6923  1859.15  195.752  1994.80  276.942  1723.70  276.728  127.757   9.2423  118.372   9.9936 9.385536 13.61221 
1 1 1   17    8   12 o  139.501   7.2713  2350.09  238.696  2720.30  337.802  1980.90  337.333  148.874   9.6612  125.957   11.467 22.91716 14.99450 
1 1 1   17    8   13 o   49.205   2.8954  287.830   33.493  338.400   47.399  237.400   47.334   53.245   3.7947   44.419   4.5783 8.826176 5.946509 
1 1 1   17    8   14 o   79.672   4.3884  758.280   82.243  816.700  116.378  700.000  116.239   82.278   6.0320   75.994   6.5413 6.283913 8.897956 
1 1 1   17    8   15 o   46.982   2.7958  262.558   30.877  293.900   43.697  231.300   43.638   49.577   3.7606   43.859   4.2675 5.717815 5.688054 
1 1 1   17    8   16 o   33.313   2.2377  131.984   17.500  141.300   24.771  122.700   24.727   34.367   3.0853   31.969   3.3242 2.397663 4.535303 
1 1 1   17    8   17 o   66.593   3.8062  529.959   59.605  588.800   84.288  471.100   84.301   69.869   5.1450   62.270   5.7998 7.598526 7.753003 
1 1 1   17    8   18 o   15.171   1.6172   27.532   5.7042   30.300   8.1700   24.900   7.9677   15.836   2.2479   14.294   2.4486 1.541970 3.323987 
1 1 1   17    8   19 o   53.116   3.1619  336.767   39.479  367.600   55.816  305.900   55.847   55.254   4.3121   50.262   4.7623 4.992046 6.424421 
1 1 1   17    8   20 o   74.613   4.0385  668.073   70.888  785.200  100.348  551.400  100.153   80.447   5.3123   66.927   6.4159 13.52055 8.329744 
1 1 1   17    8   21 o   10.691   1.6180   13.833   3.9571   14.700   5.6542   13.000   5.5398   10.932   2.2648   10.264   2.3379 0.6676998 3.254954 
1 1 1   17    8   22 o   48.710   2.9471  283.554   33.739  290.000   47.699  277.100   47.729   48.973   4.1642   47.835   4.2704 1.138138 5.964595 
1 1 1   17    8   23 o   79.063   4.6358  757.342   86.170  842.400  121.655  671.700  122.072   82.537   6.2893   73.164   7.1574 9.373001 9.528036 
1 1 1   17    8   24 f   69.065   3.9836  575.289   64.692  582.800   91.256  567.700   91.723   68.787   5.6687   67.828   5.7819 0.9586563 8.097219 
1 1 1   17    8   25 o   73.601   4.2373  655.911   73.333  670.000  103.484  641.700  103.934   73.477   6.0170   71.798   6.1908 1.678978 8.633088 
1 1 1   17    8   26 o   15.371   1.6282   28.306   5.8199   31.900   8.2821   24.800   8.1799   16.237   2.2182   14.225   2.5278 2.011618 3.363087 
1 1 1   17    8   27 o   57.413   3.1906  396.263   43.085  481.100   61.018  311.900   60.847   62.913   4.1302   50.153   5.2140 12.75973 6.651655 
1 1 1   17    8   28 o   27.428   1.9663   89.839   12.651  104.100   17.929   75.700   17.852   29.417   2.6082   24.942   3.0977 4.474676 4.049507 
1 1 1   17    8   29 o   41.342   2.5515  205.089   24.787  225.000   35.107  185.300   35.000   43.019   3.4860   38.883   3.8631 4.136127 5.203386 
1 1 1   17    8   30 o   20.532   1.7325   50.458   8.3213   55.700   11.875   45.400   11.664   21.456   2.3841   19.291   2.6291 2.165646 3.549037 
1 1 1   17    8   31 f   60.375   3.5248  445.709   50.034  472.200   70.813  419.300   70.704   61.154   4.9461   57.350   5.2802 3.803673 7.234933 
1 1 1   17    8   32 o   32.448   3.2601  129.300   24.642  129.300   24.642   0.0000   0.0000   32.448   3.2601  ?   ?  0.000000 3.260111 
1 1 1   17    8   33 o   12.206   2.3803   18.500   6.6140   18.500   6.6140   0.0000   0.0000   12.206   2.3803  ?   ?  0.000000 2.380275 
1 1 1   17    8   34 o   32.949   3.3050  134.300   25.368  134.300   25.368   0.0000   0.0000   32.949   3.3050  ?   ?  0.000000 3.305049 
1 1 1   17    8   35 o   46.039   4.2315  268.700   45.488  268.700   45.488   0.0000   0.0000   46.039   4.2315  ?   ?  0.000000 4.231467 
1 1 1   17    8   36 o   7.9513   2.2798   7.8000   4.5020   7.8000   4.5020   0.0000   0.0000   7.9513   2.2798  ?   ?  0.000000 2.279766 
1 1 1   17    8   37 o   31.950   3.2646  127.000   24.284  127.000   24.284   0.0000   0.0000   31.950   3.2646  ?   ?  0.000000 3.264633 
1 1 1   17    8   38 o   21.497   2.7578   57.300   13.677   57.300   13.677   0.0000   0.0000   21.497   2.7578  ?   ?  0.000000 2.757812 
1 1 1   17    8   39 o   17.202   2.6008   36.900   10.234   36.900   10.234   0.0000   0.0000   17.202   2.6008  ?   ?  0.000000 2.600776 
1 1 1   17    8   40 o   22.254   2.7841   62.000   14.310   62.000   14.310   0.0000   0.0000   22.254   2.7841  ?   ?  0.000000 2.784098 
1 1 1   17    8   41 f   18.079   2.6100   41.100   10.820   41.100   10.820   0.0000   0.0000   18.079   2.6100  ?   ?  0.000000 2.610049 
1 1 1   17    8   42 o   9.3621   2.3751   11.200   5.2590   11.200   5.2590   0.0000   0.0000   9.3621   2.3751  ?   ?  0.000000 2.375106 
1 1 1   17    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    8   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9    0 o   96.703   7.6867  1132.90  172.976  1132.90  172.976  1132.90  172.976   96.703   7.6867   96.703   7.6867 0.000000 0.000000 
1 1 1   17    9    1 o   49.694   2.9114  293.185   34.015  266.200   48.047  320.300   48.162   47.171   4.3629   51.832   3.9651 -4.661011 5.895522 
1 1 1   17    9    2 o  168.615   9.1527  3437.94  363.057  3707.00  513.403  3168.80  513.479  173.294   12.633  159.506   13.768 13.78748 18.68545 
1 1 1   17    9    3 o   87.268   4.7558  907.083   97.634  970.700  138.148  843.600  138.003   89.944   6.5495   83.706   7.0474 6.237373 9.620882 
1 1 1   17    9    4 o  111.088   6.0198  1475.17  157.322  1558.10  222.528  1392.30  222.445  113.542   8.3586  107.139   8.8723 6.402939 12.18951 
1 1 1   17    9    5 o  145.539   7.6271  2546.98  261.209  2902.70  369.625  2192.10  369.186  154.321   10.201  133.272   11.855 21.04874 15.63959 
1 1 1   17    9    6 o   39.309   2.4597  183.458   22.717  207.800   32.154  159.200   32.099   41.761   3.2873   36.453   3.7842 5.307663 5.012600 
1 1 1   17    9    7 f  103.170   5.5742  1271.78  135.296  1371.20  191.403  1172.50  191.271  106.592   7.6553   98.329   8.3156 8.262726 11.30282 
1 1 1   17    9    8 o  142.076   7.7464  2434.11  258.905  2569.50  366.066  2298.60  366.228  144.588   10.800  136.364   11.480 8.223679 15.76162 
1 1 1   17    9    9 o   71.739   3.8784  612.389   65.457  706.400   92.674  518.800   92.466   76.850   5.1364   65.630   6.0341 11.22072 7.924172 
1 1 1   17    9   10 o   35.727   2.3564  151.652   19.768  159.100   27.951  144.200   27.960   36.494   3.2785   34.705   3.4579 1.789513 4.765009 
1 1 1   17    9   11 o   38.424   2.3566  175.336   21.279  212.300   30.140  138.600   30.047   42.222   3.0434   33.959   3.8128 8.262623 4.878495 
1 1 1   17    9   12 o  119.931   6.3381  1730.34  178.859  1908.10  253.167  1553.20  252.723  124.988   8.6307  112.247   9.6279 12.74098 12.92998 
1 1 1   17    9   13 o   38.789   2.4815  178.847   22.610  188.800   31.980  168.900   31.971   39.738   3.4421   37.537   3.6532 2.200546 5.019365 
1 1 1   17    9   14 o   78.717   4.4110  740.763   81.661  759.700  115.445  721.800  115.527   79.242   6.2196   77.174   6.3971 2.067673 8.922227 
1 1 1   17    9   15 o   80.065   4.3306  766.672   81.570  854.500  115.475  679.200  115.241   84.109   5.8506   74.704   6.6007 9.404778 8.820361 
1 1 1   17    9   16 o   80.696   4.2848  779.318   81.356  896.300  115.195  662.900  114.916   86.127   5.6963   73.686   6.6769 12.44131 8.776617 
1 1 1   17    9   17 o   72.019   4.0315  620.762   68.284  669.700   96.606  571.900   96.531   74.377   5.5403   68.543   6.0252 5.834007 8.185221 
1 1 1   17    9   18 o   19.359   1.6959   44.677   7.6743   52.000   10.908   37.500   10.799   20.828   2.2539   17.578   2.6870 3.250305 3.507116 
1 1 1   17    9   19 o   84.595   4.6595  861.818   92.719  940.400  131.193  783.400  131.056   87.642   6.3831   79.643   7.0412 7.998833 9.503772 
1 1 1   17    9   20 o   56.954   3.2711  387.811   43.809  435.100   62.013  340.700   61.896   60.045   4.4044   52.918   5.0132 7.126820 6.673136 
1 1 1   17    9   21 o   85.225   4.7973  879.017   96.152  918.200  135.950  839.800  136.010   86.106   6.7400   82.129   7.0823 3.976509 9.776890 
1 1 1   17    9   22 o   81.369   4.7397  802.179   90.675  933.500  128.123  670.400  128.345   86.984   6.2799   72.930   7.5626 14.05330 9.830058 
1 1 1   17    9   23 o   58.211   3.5105  406.917   48.028  447.100   67.783  366.400   68.063   60.606   4.7750   54.617   5.3459 5.988686 7.167963 
1 1 1   17    9   24 f   32.426   2.2799  125.505   17.346  146.300   24.498  104.600   24.563   34.891   3.0027   29.327   3.6240 5.564569 4.706302 
1 1 1   17    9   25 o   55.744   3.3730  373.471   44.190  426.000   62.423  320.700   62.567   59.153   4.5027   50.983   5.2733 8.170071 6.934112 
1 1 1   17    9   26 o   69.611   3.9776  586.473   65.111  627.800   92.111  545.200   92.051   71.240   5.5186   66.111   5.9606 5.128494 8.123022 
1 1 1   17    9   27 o   15.064   1.5395   27.167   5.3992   36.100   7.7168   18.600   7.5570   17.333   1.9175   12.250   2.6865 5.083064 3.300622 
1 1 1   17    9   28 o   8.3920   1.5968   8.6278   3.0487   9.8000   4.4602   7.6000   4.1767   8.8987   2.1472   7.8720   2.1748 1.026678 3.056212 
1 1 1   17    9   29 o   53.132   2.9392  340.108   36.732  409.400   52.076  271.500   51.819   57.916   3.8294   46.682   4.7677 11.23400 6.115194 
1 1 1   17    9   30 o   43.487   2.6001  227.577   26.577  265.200   37.648  190.200   37.524   46.636   3.4430   39.179   4.1176 7.457096 5.367438 
1 1 1   17    9   31 o   32.329   2.1155  125.415   16.061  142.500   22.805  108.600   22.624   34.255   2.8450   29.733   3.2766 4.522219 4.339409 
1 1 1   17    9   32 o   5.9268   1.6728   4.2924   2.4433   1.9000   3.5701   6.4000   3.3509   5.1560   2.0183   7.1996   1.9311 -2.043599 2.793377 
1 1 1   17    9   33 o   41.801   3.8940  218.300   37.995  218.300   37.995   0.0000   0.0000   41.801   3.8940  ?   ?  0.000000 3.894017 
1 1 1   17    9   34 o   24.435   2.8352   73.400   16.055   73.400   16.055   0.0000   0.0000   24.435   2.8352  ?   ?  0.000000 2.835231 
1 1 1   17    9   35 f   37.847   3.6438  178.900   32.163  178.900   32.163   0.0000   0.0000   37.847   3.6438  ?   ?  0.000000 3.643844 
1 1 1   17    9   36 o   36.047   3.5191  162.200   29.572  162.200   29.572   0.0000   0.0000   36.047   3.5191  ?   ?  0.000000 3.519094 
1 1 1   17    9   37 o   12.260   2.4541   18.800   6.8567   18.800   6.8567   0.0000   0.0000   12.260   2.4541  ?   ?  0.000000 2.454139 
1 1 1   17    9   38 o   21.020   2.7153   54.800   13.163   54.800   13.163   0.0000   0.0000   21.020   2.7153  ?   ?  0.000000 2.715336 
1 1 1   17    9   39 o   32.933   3.3680  137.100   25.823  137.100   25.823   0.0000   0.0000   32.933   3.3680  ?   ?  0.000000 3.368018 
1 1 1   17    9   40 o   17.562   2.6438   38.700   10.624   38.700   10.624   0.0000   0.0000   17.562   2.6438  ?   ?  0.000000 2.643829 
1 1 1   17    9   41 o   21.561   2.7927   58.700   13.885   58.700   13.885   0.0000   0.0000   21.561   2.7927  ?   ?  0.000000 2.792741 
1 1 1   17    9   42 o   7.6140   2.5436   6.9000   5.3703   6.9000   5.3703   0.0000   0.0000   7.6140   2.5436  ?   ?  0.000000 2.543650 
1 1 1   17    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17    9   51 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10    0 o   72.556   5.9185  636.700   99.850  636.700   99.850  636.700   99.850   72.556   5.9185   72.556   5.9185 0.000000 0.000000 
1 1 1   17   10    1 o  174.165   9.3640  3675.57  383.696  3436.50  542.485  3914.90  542.770  165.805   13.986  177.673   13.028 -11.86865 19.11382 
1 1 1   17   10    2 f  101.635   5.4082  1232.68  129.329  1442.80  182.995  1023.00  182.802  109.574   7.1109   91.810   8.5295 17.76405 11.10478 
1 1 1   17   10    3 o   69.420   3.9249  573.204   64.075  587.800   90.604  558.600   90.629   70.052   5.5220   68.251   5.6748 1.800552 7.918060 
1 1 1   17   10    4 o   94.987   5.2313  1076.68  116.885  1142.00  165.268  1011.30  165.331   97.374   7.2394   91.473   7.7265 5.901352 10.58810 
1 1 1   17   10    5 o   20.387   1.7897   49.497   8.5285   55.000   12.064   44.000   12.058   21.428   2.4271   19.088   2.7549 2.340189 3.671539 
1 1 1   17   10    6 o  151.779   7.9084  2778.15  282.458  3155.50  399.772  2402.00  399.140  160.470   10.610  139.043   12.283 21.42665 16.23094 
1 1 1   17   10    7 o  162.686   8.6051  3205.94  329.398  3567.20  466.106  2845.50  465.574  169.853   11.692  150.673   13.219 19.17938 17.64813 
1 1 1   17   10    8 o   87.328   4.5083  908.855   92.650  1111.20  131.155  707.300  130.898   96.308   5.7941   76.383   7.3480 19.92538 9.357617 
1 1 1   17   10    9 o   51.230   2.6468  311.460   31.909  418.700   45.263  205.500   44.992   59.353   3.2418   41.299   4.6971 18.05410 5.707226 
1 1 1   17   10   10 o  139.956   7.4236  2366.85  244.461  2615.20  345.960  2119.20  345.480  145.736   10.116  130.438   11.329 15.29829 15.18796 
1 1 1   17   10   11 o   94.067   5.0102  1058.13  110.889  1184.80  156.955  931.900  156.686   99.057   6.7503   87.509   7.6597 11.54810 10.20971 
1 1 1   17   10   12 o   83.945   4.6477  842.338   91.770  884.900  129.801  799.800  129.764   85.563   6.4722   81.212   6.8300 4.350723 9.409513 
1 1 1   17   10   13 o   47.450   2.7462  267.669   30.638  305.600   43.404  230.000   43.254   50.585   3.6584   43.749   4.2401 6.835606 5.600246 
1 1 1   17   10   14 o  109.977   5.9166  1458.15  153.086  1627.80  216.595  1288.80  216.398  115.250   8.0085  101.949   9.0841 13.30045 12.11021 
1 1 1   17   10   15 o   13.767   1.6437   22.732   5.2381   24.300   7.4515   21.200   7.3647   14.143   2.3111   13.166   2.4593 0.9765768 3.374788 
1 1 1   17   10   16 o  138.303   7.5194  2344.89  244.650  2658.20  346.103  2032.00  345.872  145.113   10.165  125.377   11.822 19.73623 15.59101 
1 1 1   17   10   17 o   66.080   3.7829  522.309   58.782  535.400   83.103  509.200   83.159   66.485   5.3384   64.782   5.4877 1.703392 7.655942 
1 1 1   17   10   18 o   58.037   3.2677  402.124   44.601  450.000   63.158  354.500   62.992   61.140   4.4041   54.074   4.9895 7.065861 6.655178 
1 1 1   17   10   19 o   62.417   3.5516  466.257   52.131  505.000   73.765  427.600   73.683   64.594   4.8720   59.265   5.3218 5.328568 7.215085 
1 1 1   17   10   20 o   32.220   2.2164  123.700   16.761  122.300   23.700  125.100   23.705   31.881   3.1911   32.254   3.1528 -0.3733139 4.485895 
1 1 1   17   10   21 o   40.460   2.5747  195.303   24.470  216.000   34.604  174.600   34.609   42.382   3.4886   37.979   3.9152 4.402870 5.244021 
1 1 1   17   10   22 o   39.106   2.5907  182.609   23.787  214.900   33.584  150.100   33.697   42.277   3.3926   35.110   4.1443 7.167042 5.355868 
1 1 1   17   10   23 o   41.385   2.7039  204.738   26.278  221.000   37.009  188.200   37.320   42.781   3.6998   39.358   4.0746 3.423592 5.503776 
1 1 1   17   10   24 o   63.546   3.7818  486.712   56.491  523.200   79.715  449.900   80.068   65.306   5.2126   60.313   5.6891 4.993057 7.716048 
1 1 1   17   10   25 o   71.851   4.2133  625.613   71.173  672.500  100.479  578.400  100.828   73.660   5.8242   67.976   6.3553 5.684654 8.620373 
1 1 1   17   10   26 o   22.652   1.8772   61.304   9.9505   59.900   14.093   62.700   14.052   22.241   2.7414   22.777   2.6628 -0.5366745 3.821747 
1 1 1   17   10   27 o   45.444   2.7965  247.743   29.864  261.100   42.245  234.400   42.222   46.319   3.8986   43.789   4.1321 2.529602 5.681011 
1 1 1   17   10   28 o   34.000   2.1853  138.250   17.452  162.700   24.757  114.100   24.605   36.734   2.8771   30.565   3.4707 6.168936 4.508153 
1 1 1   17   10   29 o   49.988   3.0337  301.850   35.640  308.800   50.403  294.900   50.403   49.998   4.3113   48.796   4.4223 1.201752 6.176102 
1 1 1   17   10   30 o   36.383   2.2826  158.891   19.512  189.100   27.667  129.000   27.521   39.483   2.9897   32.337   3.6692 7.146034 4.732960 
1 1 1   17   10   31 o   22.647   1.8129   61.492   9.6135   70.400   13.640   52.700   13.551   24.104   2.4296   20.713   2.8457 3.390450 3.741808 
1 1 1   17   10   32 o   44.687   2.6534  241.692   27.873  278.200   39.505  205.500   39.333   47.510   3.5469   40.463   4.1767 7.046345 5.479507 
1 1 1   17   10   33 f   33.599   2.2525  136.159   17.768  143.300   25.200  129.100   25.056   34.132   3.1626   32.312   3.3317 1.820343 4.593741 
1 1 1   17   10   34 o   43.035   3.9959  232.900   40.143  232.900   40.143   0.0000   0.0000   43.035   3.9959  ?   ?  0.000000 3.995857 
1 1 1   17   10   35 o   21.430   2.6841   56.500   13.284   56.500   13.284   0.0000   0.0000   21.430   2.6841  ?   ?  0.000000 2.684065 
1 1 1   17   10   36 o   35.735   3.5059  159.500   29.203  159.500   29.203   0.0000   0.0000   35.735   3.5059  ?   ?  0.000000 3.505927 
1 1 1   17   10   37 o   25.200   2.8984   78.600   16.933   78.600   16.933   0.0000   0.0000   25.200   2.8984  ?   ?  0.000000 2.898383 
1 1 1   17   10   38 o   21.405   2.7282   56.900   13.476   56.900   13.476   0.0000   0.0000   21.405   2.7282  ?   ?  0.000000 2.728216 
1 1 1   17   10   39 o   24.473   2.8855   74.900   16.354   74.900   16.354   0.0000   0.0000   24.473   2.8855  ?   ?  0.000000 2.885464 
1 1 1   17   10   40 o   2.6343   1.2028  -1.1000   1.6650  -1.1000   1.6650   0.0000   0.0000   2.6343   1.2028  ?   ?  0.000000 1.202815 
1 1 1   17   10   41 o   16.060   2.5202   32.500   9.2428   32.500   9.2428   0.0000   0.0000   16.060   2.5202  ?   ?  0.000000 2.520172 
1 1 1   17   10   42 o   15.225   2.7308   29.700   9.4572   29.700   9.4572   0.0000   0.0000   15.225   2.7308  ?   ?  0.000000 2.730809 
1 1 1   17   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   10   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11    0 o   81.488   6.5649  803.900  124.437  803.900  124.437  803.900  124.437   81.488   6.5649   81.488   6.5649 0.000000 0.000000 
1 1 1   17   11    1 o  115.034   6.2567  1584.60  169.317  1547.60  239.453  1621.60  239.449  112.816   9.0650  115.578   8.8406 -2.761665 12.66219 
1 1 1   17   11    2 o   63.709   3.5460  482.453   53.135  581.700   75.200  383.500   75.089   69.829   4.5861   56.443   5.7124 13.38579 7.325568 
1 1 1   17   11    3 f   48.515   2.9220  279.602   33.319  290.500   47.115  268.700   47.124   49.314   4.0827   47.390   4.2565 1.924290 5.897988 
1 1 1   17   11    4 o  134.761   7.3122  2185.05  231.816  2175.60  327.856  2194.50  327.818  133.157   10.512  133.761   10.462 -0.6045532 14.83120 
1 1 1   17   11    5 o   97.455   5.1956  1133.96  119.133  1299.00  168.576  969.300  168.385  103.897   6.9106   89.359   8.0670 14.53794 10.62228 
1 1 1   17   11    6 o   56.714   2.9508  381.872   39.381  484.300   55.811  280.300   55.577   63.794   3.7210   48.285   4.9441 15.50893 6.187902 
1 1 1   17   11    7 o  107.244   5.0560  1369.86  128.040  1721.90  181.451  1020.70  180.704  119.749   6.4406   91.501   8.4591 28.24776 10.63189 
1 1 1   17   11    8 o   67.275   3.7559  538.735   59.428  570.800   84.130  506.800   83.959   69.004   5.2014   64.932   5.5284 4.072273 7.590643 
1 1 1   17   11    9 o   82.937   4.6756  821.437   91.196  839.100  128.477  803.500  129.470   83.371   6.5795   81.515   6.7879 1.855812 9.453293 
1 1 1   17   11   10 o   38.378   2.4552  175.031   22.133  212.600   31.309  137.500   31.293   42.232   3.1625   33.786   4.0001 8.446342 5.099219 
1 1 1   17   11   11 o   96.312   4.6339  1105.47  105.388  1369.10  149.391  844.300  148.693  106.703   5.9527   83.181   7.6560 23.52200 9.697938 
1 1 1   17   11   12 o   72.972   4.0452  635.484   69.431  703.300   98.238  567.800   98.142   76.449   5.4781   68.479   6.1342 7.970108 8.224261 
1 1 1   17   11   13 o   30.769   2.1185  112.562   15.298  129.300   21.660   95.900   21.611   32.907   2.8145   28.231   3.3042 4.675457 4.340445 
1 1 1   17   11   14 o  105.712   5.6203  1346.44  139.792  1518.70  197.849  1174.70  197.544  111.403   7.5658   97.366   8.6831 14.03677 11.51687 
1 1 1   17   11   15 o   39.847   2.5004  188.921   23.408  201.600   33.142  176.300   33.065   41.030   3.4528   38.307   3.7014 2.722332 5.061875 
1 1 1   17   11   16 o   97.787   5.3078  1153.66  122.104  1270.20  172.786  1037.40  172.577  101.707   7.2417   91.436   8.0759 10.27119 10.84725 
1 1 1   17   11   17 o   61.046   3.5253  445.400   50.601  446.600   71.558  444.200   71.562   60.749   5.0337   60.580   5.0485 0.1684685 7.129200 
1 1 1   17   11   18 o   14.462   1.6274   25.057   5.4608   31.800   7.7479   18.400   7.6979   16.255   2.0652   12.208   2.7378 4.046181 3.429346 
1 1 1   17   11   19 o   43.465   2.6349  225.234   26.916  248.900   38.118  201.700   38.012   45.522   3.5749   40.859   3.9907 4.663010 5.357750 
1 1 1   17   11   20 o   24.278   1.8237   70.204   10.379   85.300   14.725   55.300   14.631   26.705   2.3593   21.350   2.9836 5.355141 3.803722 
1 1 1   17   11   21 o   46.825   2.8406  261.934   31.261  301.600   44.218  222.300   44.200   50.045   3.7695   42.748   4.4437 7.297695 5.827114 
1 1 1   17   11   22 o   71.591   4.0115  617.597   67.541  686.100   95.590  549.300   95.446   74.847   5.4458   66.603   6.1378 8.244148 8.205494 
1 1 1   17   11   23 o   67.066   3.9555  542.500   62.365  602.300   88.088  482.400   88.307   70.074   5.3642   62.337   6.0765 7.737328 8.105446 
1 1 1   17   11   24 o   50.499   3.1070  305.840   36.870  364.800   52.103  246.700   52.182   54.885   4.0487   44.756   5.0243 10.12919 6.452549 
1 1 1   17   11   25 o   52.388   3.2449  329.889   39.944  399.700   56.434  259.800   56.546   57.357   4.1958   45.757   5.3334 11.59948 6.785974 
1 1 1   17   11   26 o   37.057   2.4270  164.245   21.120  168.800   29.885  159.700   29.850   37.334   3.4281   36.278   3.5292 1.055859 4.920091 
1 1 1   17   11   27 o   54.458   3.2572  357.619   41.694  380.000   58.939  335.200   58.990   55.614   4.5274   52.060   4.8546 3.554150 6.638102 
1 1 1   17   11   28 o   72.086   4.0604  635.053   68.835  727.300   97.426  543.100   97.270   76.146   5.4545   65.020   6.4191 11.12538 8.423559 
1 1 1   17   11   29 o   39.004   2.3725  182.540   21.748  223.200   30.836  142.300   30.676   42.926   3.0622   33.941   3.8982 8.984638 4.957123 
1 1 1   17   11   30 o   62.186   3.5132  472.648   51.378  551.600   72.753  394.100   72.567   66.347   4.6736   55.311   5.6348 11.03633 7.320718 
1 1 1   17   11   31 o   41.654   2.4884  209.201   24.364  249.500   34.542  169.300   34.371   45.178   3.2598   36.835   4.0167 8.342461 5.172957 
1 1 1   17   11   32 o   39.953   2.4455  192.754   22.961  231.700   32.533  154.100   32.411   43.490   3.1901   35.055   3.9863 8.435001 5.105616 
1 1 1   17   11   33 o   27.760   1.9768   92.667   12.874  107.300   18.258   78.200   18.154   29.682   2.6323   25.139   3.1257 4.543230 4.086459 
1 1 1   17   11   34 o   16.710   1.6897   33.638   6.5754   34.600   9.3562   32.700   9.2427   16.776   2.4329   16.287   2.4817 0.4888268 3.475304 
1 1 1   17   11   35 o   26.705   1.9575   85.883   12.258   96.800   17.389   75.100   17.282   28.140   2.6481   24.620   3.0371 3.520222 4.029433 
1 1 1   17   11   36 o   8.3561   2.2506   8.7000   4.5401   8.7000   4.5401   0.0000   0.0000   8.3561   2.2506  ?   ?  0.000000 2.250600 
1 1 1   17   11   37 o   27.251   3.0062   92.200   19.023   92.200   19.023   0.0000   0.0000   27.251   3.0062  ?   ?  0.000000 3.006250 
1 1 1   17   11   38 o   33.718   3.4048  143.400   26.738  143.400   26.738   0.0000   0.0000   33.718   3.4048  ?   ?  0.000000 3.404805 
1 1 1   17   11   39 o   26.713   2.9999   89.600   18.596   89.600   18.596   0.0000   0.0000   26.713   2.9999  ?   ?  0.000000 2.999855 
1 1 1   17   11   40 o   11.121   2.4136   15.700   6.1563   15.700   6.1563   0.0000   0.0000   11.121   2.4136  ?   ?  0.000000 2.413554 
1 1 1   17   11   41 o   28.838   3.2013  106.600   21.432  106.600   21.432   0.0000   0.0000   28.838   3.2013  ?   ?  0.000000 3.201336 
1 1 1   17   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   11   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12    0 o  229.080   18.438  6636.30  982.518  6636.30  982.518  6636.30  982.518  229.080   18.438  229.080   18.438 0.000000 0.000000 
1 1 1   17   12    1 o  117.857   6.3459  1665.41  175.958  1779.00  248.938  1552.00  248.745  120.997   8.7723  112.722   9.4318 8.275803 12.88069 
1 1 1   17   12    2 o  104.236   5.6777  1299.73  139.223  1365.60  196.925  1233.90  196.858  106.217   7.9080  100.794   8.3461 5.422890 11.49755 
1 1 1   17   12    3 o   71.272   3.9349  604.575   65.968  672.500   93.345  536.800   93.241   74.946   5.3088   66.784   5.9757 8.161461 7.993260 
1 1 1   17   12    4 o   96.488   5.2508  1112.50  119.185  1203.70  168.597  1021.40  168.508   99.866   7.1977   91.757   7.8528 8.108810 10.65236 
1 1 1   17   12    5 o  178.725   9.8056  3906.66  412.246  4155.20  582.933  3658.00  583.075  181.403   13.710  169.308   14.731 12.09470 20.12368 
1 1 1   17   12    6 o   15.073   1.6088   27.155   5.6379   31.200   8.0183   23.200   7.9287   16.099   2.1641   13.787   2.5287 2.312100 3.328273 
1 1 1   17   12    7 o   38.748   2.4317  178.357   22.137  195.000   31.347  161.800   31.266   40.423   3.3131   36.749   3.6514 3.674141 4.930403 
1 1 1   17   12    8 o   55.484   3.0987  365.959   40.436  433.700   57.245  298.500   57.126   60.283   4.0449   49.811   4.9211 10.47166 6.370056 
1 1 1   17   12    9 o   49.658   2.9587  293.229   34.537  320.200   48.861  266.300   48.823   51.750   4.0302   47.096   4.4427 4.653706 5.998344 
1 1 1   17   12   10 o   57.798   3.2790  397.564   44.568  460.400   63.072  334.900   62.985   62.040   4.3325   52.713   5.1249 9.327682 6.710838 
1 1 1   17   12   11 o   42.490   2.6529  214.699   26.485  224.900   37.457  204.500   37.452   43.349   3.6945   41.291   3.8869 2.058479 5.362615 
1 1 1   17   12   12 o  122.161   6.3125  1802.68  181.473  2110.70  256.880  1495.80  256.405  131.136   8.3389  109.359   10.041 21.77653 13.05232 
1 1 1   17   12   13 o   58.395   3.3970  406.552   46.639  416.900   65.951  396.200   65.965   58.860   4.7866   57.340   4.9195 1.520054 6.863880 
1 1 1   17   12   14 o   31.323   2.0575  116.634   15.133  140.100   21.455   93.400   21.349   34.270   2.6724   27.841   3.3124 6.429352 4.255998 
1 1 1   17   12   15 o  126.925   6.7181  1963.95  200.636  2239.10  283.977  1689.70  283.508  133.878   9.0356  115.081   10.550 18.79780 13.89065 
1 1 1   17   12   16 o   86.994   4.7461  910.430   97.129  996.100  137.457  825.000  137.265   90.295   6.4901   81.825   7.1766 8.469765 9.676008 
1 1 1   17   12   17 o   30.968   2.1288  114.161   15.473  126.100   21.918  102.300   21.846   32.449   2.8907   29.144   3.2287 3.305841 4.333707 
1 1 1   17   12   18 o   20.304   1.7775   49.175   8.4363   55.700   11.954   42.700   11.908   21.537   2.3908   18.758   2.7719 2.779291 3.660511 
1 1 1   17   12   19 o   22.984   1.8531   62.974   9.9720   66.800   14.152   59.200   14.054   23.574   2.5845   22.149   2.7460 1.425545 3.771012 
1 1 1   17   12   20 o   18.531   1.6637   40.981   7.2027   50.500   10.251   31.700   10.122   20.524   2.1470   16.103   2.7614 4.421038 3.497783 
1 1 1   17   12   21 o   36.711   2.3223  160.657   20.028  190.200   28.369  131.300   28.279   39.830   3.0392   32.912   3.7030 6.918114 4.790490 
1 1 1   17   12   22 o   60.947   3.6436  446.655   52.197  538.100   73.755  354.900   73.881   66.520   4.7262   53.477   5.9516 13.04335 7.599952 
1 1 1   17   12   23 f   84.410   4.8632  868.012   96.525  1033.80  136.440  701.900  136.573   91.157   6.3787   73.996   7.9404 17.16142 10.18517 
1 1 1   17   12   24 o   37.408   2.4877  167.260   21.850  189.100   30.859  145.300   30.943   39.603   3.3307   34.548   3.8589 5.055504 5.097499 
1 1 1   17   12   25 o   55.591   4.7607  379.200   61.891  379.200   61.891   0.0000   0.0000   55.591   4.7607  ?   ?  0.000000 4.760725 
1 1 1   17   12   26 o   24.263   1.9473   70.360   11.063   88.500   15.641   52.200   15.649   27.141   2.4674   20.601   3.3307 6.539999 4.145073 
1 1 1   17   12   27 o   55.598   3.2455  373.119   42.423  407.800   60.066  338.600   59.925   57.591   4.4514   52.219   4.9177 5.372086 6.633171 
1 1 1   17   12   28 o   51.973   3.1160  326.433   38.065  359.300   53.847  293.600   53.818   54.011   4.2564   48.543   4.7562 5.468727 6.382662 
1 1 1   17   12   29 o   7.4673   1.5670   6.8689   2.6750   12.300   3.8907   2.0000   3.6838   10.036   1.7026   5.2583   2.0525 4.777633 2.666740 
1 1 1   17   12   30 o   41.330   2.5549  206.008   24.812  237.700   35.141  174.500   35.039   44.060   3.4040   37.439   4.0266 6.620464 5.272684 
1 1 1   17   12   31 o   41.137   2.5254  204.328   24.413  233.800   34.598  175.100   34.454   43.641   3.3837   37.467   3.9541 6.174866 5.204251 
1 1 1   17   12   32 o   24.229   1.8465   70.480   10.485   81.400   14.911   59.800   14.746   25.888   2.4691   22.027   2.9060 3.860849 3.813273 
1 1 1   17   12   33 o   27.470   2.0452   90.883   13.171   93.700   18.684   88.100   18.570   27.623   2.9081   26.747   2.9915 0.8762684 4.172051 
1 1 1   17   12   34 o   50.989   3.0789  318.749   36.898  338.900   52.248  298.700   52.115   51.677   4.3212   48.252   4.6308 3.425728 6.333821 
1 1 1   17   12   35 o   23.825   1.9098   68.388   10.655   70.200   15.118   66.600   15.018   23.899   2.7278   23.250   2.7912 0.6494732 3.902768 
1 1 1   17   12   36 f   29.783   2.0671  107.059   14.448  116.100   20.536   98.200   20.329   30.722   2.8638   28.132   3.1124 2.590761 4.229477 
1 1 1   17   12   37 o   26.914   2.9702   90.000   18.562   90.000   18.562   0.0000   0.0000   26.914   2.9702  ?   ?  0.000000 2.970210 
1 1 1   17   12   38 o   26.764   2.9827   89.500   18.530   89.500   18.530   0.0000   0.0000   26.764   2.9827  ?   ?  0.000000 2.982742 
1 1 1   17   12   39 o   28.263   3.0970  100.700   20.330  100.700   20.330   0.0000   0.0000   28.263   3.0970  ?   ?  0.000000 3.096961 
1 1 1   17   12   40 o   21.667   2.7574   59.100   13.788   59.100   13.788   0.0000   0.0000   21.667   2.7574  ?   ?  0.000000 2.757425 
1 1 1   17   12   41 o   14.221   2.6979   25.900   8.7281   25.900   8.7281   0.0000   0.0000   14.221   2.6979  ?   ?  0.000000 2.697882 
1 1 1   17   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   12   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13    0 o   90.811   7.2661  1000.90  153.519  1000.90  153.519  1000.90  153.519   90.811   7.2661   90.811   7.2661 0.000000 0.000000 
1 1 1   17   13    1 o  151.915   8.3031  2797.81  296.724  2916.50  419.531  2679.00  419.733  153.188   11.686  146.425   12.252 6.762573 16.93144 
1 1 1   17   13    2 o  110.781   5.8203  1470.13  151.722  1706.50  214.715  1234.40  214.421  118.758   7.6981  100.406   9.1439 18.35188 11.95288 
1 1 1   17   13    3 o   77.625   4.3337  718.401   79.120  711.500  111.897  725.300  111.886   76.858   6.2188   77.620   6.1549 -0.7623215 8.749639 
1 1 1   17   13    4 o   36.362   2.2585  156.998   19.296  190.700   27.330  123.500   27.247   40.022   2.9119   32.058   3.6653 7.964504 4.681160 
1 1 1   17   13    5 o   86.239   4.7849  888.314   97.058  1011.20  137.253  765.400  137.268   91.633   6.3830   79.376   7.4092 12.25701 9.779510 
1 1 1   17   13    6 o   80.920   4.4284  781.273   84.298  842.900  119.290  719.800  119.140   83.684   6.0782   77.162   6.6023 6.522217 8.974125 
1 1 1   17   13    7 o   45.337   2.7279  244.294   29.068  267.400   41.159  221.300   41.059   47.314   3.7138   42.956   4.0975 4.358059 5.530092 
1 1 1   17   13    8 o   3.6939   1.3283   1.3450   1.4771   1.0000   2.2655   1.6000   1.9480   4.0319   1.5985   4.1401   1.5199 -0.1082687 2.205795 
1 1 1   17   13    9 o   36.555   2.3413  158.812   20.104  174.000   28.468  143.700   28.396   38.170   3.1876   34.613   3.5233 3.556637 4.751255 
1 1 1   17   13   10 o   57.717   3.3348  396.732   45.256  424.800   64.023  368.700   63.981   59.507   4.5917   55.341   4.9482 4.166046 6.750461 
1 1 1   17   13   11 o  114.393   6.2783  1581.34  168.943  1672.60  238.930  1490.10  238.912  116.417   8.7555  109.531   9.3260 6.886574 12.79193 
1 1 1   17   13   12 o   25.720   1.9261   78.701   11.613   67.300   16.388   90.200   16.458   23.628   3.0053   27.471   2.5669 -3.842701 3.952334 
1 1 1   17   13   13 o  126.156   6.8726  1938.06  203.964  2185.60  288.527  1690.80  288.370  132.364   9.2900  115.335   10.711 17.02975 14.17820 
1 1 1   17   13   14 o   64.951   3.7336  504.267   57.023  529.300   80.615  479.200   80.670   66.174   5.2009   62.861   5.4896 3.313168 7.562083 
1 1 1   17   13   15 o   70.639   3.9000  597.216   64.802  713.100   91.696  481.600   91.590   76.861   5.0809   62.719   6.2682 14.14213 8.068862 
1 1 1   17   13   16 o   30.138   2.1242  108.137   15.021  114.000   21.265  102.300   21.220   30.832   2.9572   29.163   3.1303 1.668793 4.306258 
1 1 1   17   13   17 o   60.965   3.5406  444.863   50.750  501.200   71.764  388.500   71.780   64.383   4.7539   56.423   5.4556 7.960728 7.236274 
1 1 1   17   13   18 o   18.843   1.7559   42.400   7.7227   47.000   10.922   37.800   10.922   19.759   2.3893   17.634   2.7096 2.125195 3.612586 
1 1 1   17   13   19 f   18.235   1.7296   39.722   7.3584   46.100   10.429   33.400   10.384   19.578   2.2997   16.542   2.7552 3.035564 3.588826 
1 1 1   17   13   20 o   95.621   5.2701  1113.36  118.537  1291.10  167.703  935.900  167.570  101.825   7.0175   85.671   8.3910 16.15390 10.93865 
1 1 1   17   13   21 o   19.617   1.8174   45.988   8.3229   51.800   11.733   40.100   11.808   20.737   2.4428   18.135   2.8516 2.602638 3.754886 
1 1 1   17   13   22 o   34.489   2.3543  141.996   19.059  171.000   26.932  112.900   26.975   37.732   3.0487   30.433   3.8391 7.299416 4.902431 
1 1 1   17   13   23 o   57.423   3.5010  396.670   47.245  454.500   66.717  338.500   66.913   61.057   4.6627   52.310   5.4994 8.746429 7.209971 
1 1 1   17   13   24 o   54.087   3.3193  351.854   42.189  392.700   59.552  310.700   59.776   56.736   4.4815   50.177   5.1166 6.559307 6.801704 
1 1 1   17   13   25 o   54.782   3.2328  361.064   41.634  442.600   58.892  279.600   58.866   60.317   4.1603   47.395   5.3537 12.92209 6.780103 
1 1 1   17   13   26 o   85.057   4.6931  888.126   93.895  1079.40  132.866  697.300  132.710   92.592   6.1112   72.899   7.8322 19.69296 9.934286 
1 1 1   17   13   27 o   24.199   1.8577   69.999   10.534   82.100   14.961   58.100   14.835   26.107   2.4557   21.811   2.9565 4.295506 3.843345 
1 1 1   17   13   28 o   75.635   4.2446  704.349   75.503  840.000  106.838  569.000  106.718   81.419   5.5909   65.705   6.9854 15.71355 8.947245 
1 1 1   17   13   29 o   22.198   1.8617   59.095   9.6686   68.300   13.677   49.900   13.670   23.744   2.4758   20.133   2.9641 3.610567 3.862055 
1 1 1   17   13   30 o   39.179   2.5177  185.181   23.169  197.800   32.791  172.600   32.742   40.110   3.4971   37.331   3.7657 2.779106 5.139051 
1 1 1   17   13   31 o   21.412   1.8137   55.064   9.0840   62.700   12.877   47.500   12.817   22.712   2.4393   19.623   2.8493 3.088890 3.750809 
1 1 1   17   13   32 o   30.007   2.0340  108.273   14.327  132.700   20.336   84.200   20.188   33.043   2.6280   26.020   3.3645 7.023375 4.269243 
1 1 1   17   13   33 o   15.417   1.6471   28.648   5.9034   33.200   8.4458   24.300   8.2549   16.482   2.2271   13.969   2.5982 2.513558 3.422090 
1 1 1   17   13   34 o   26.188   1.9683   82.601   12.082   93.200   17.127   72.100   17.047   27.611   2.6598   24.115   3.0628 3.495804 4.056540 
1 1 1   17   13   35 o   23.657   1.7692   67.264   9.8119   84.300   13.975   50.700   13.780   26.360   2.2671   20.173   2.9826 6.186523 3.746419 
1 1 1   17   13   36 o   32.658   2.1789  129.034   16.706  146.100   23.708  112.200   23.546   34.428   2.9445   29.932   3.3913 4.496080 4.491200 
1 1 1   17   13   37 o   40.292   2.5683  198.652   24.308  211.600   34.441  185.800   34.314   40.913   3.6016   38.133   3.8640 2.779636 5.282272 
1 1 1   17   13   38 o   16.882   2.5789   35.600   9.9547   35.600   9.9547   0.0000   0.0000   16.882   2.5789  ?   ?  0.000000 2.578938 
1 1 1   17   13   39 o   9.3133   2.4141   11.000   5.3530   11.000   5.3530   0.0000   0.0000   9.3133   2.4141  ?   ?  0.000000 2.414117 
1 1 1   17   13   40 o   7.2918   2.3523   6.4000   4.6097   6.4000   4.6097   0.0000   0.0000   7.2918   2.3523  ?   ?  0.000000 2.352322 
1 1 1   17   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   13   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14    0 o  215.116   17.402  5875.40  870.631  5875.40  870.631  5875.40  870.631  215.116   17.402  215.116   17.402 0.000000 0.000000 
1 1 1   17   14    1 o   47.358   2.8865  266.619   32.126  284.900   45.409  248.300   45.457   48.817   3.9737   45.503   4.2809 3.313782 5.840867 
1 1 1   17   14    2 o   86.620   4.7602  896.220   96.992  985.700  137.190  806.800  137.144   90.426   6.4676   81.558   7.1949 8.867867 9.674515 
1 1 1   17   14    3 o   61.910   3.5518  456.247   51.707  462.900   73.142  449.600   73.108   62.111   5.0302   61.191   5.1062 0.9193459 7.167687 
1 1 1   17   14    4 f   93.140   4.8306  1036.54  105.878  1206.30  149.916  867.600  149.553  100.072   6.3774   84.437   7.5814 15.63494 9.907022 
1 1 1   17   14    5 o   61.893   3.5603  456.150   51.814  469.500   73.277  442.800   73.277   62.541   5.0037   60.693   5.1618 1.847988 7.188971 
1 1 1   17   14    6 o  111.939   6.0882  1507.33  160.322  1465.10  226.547  1549.70  226.913  109.237   8.8590  112.483   8.6084 -3.245872 12.35254 
1 1 1   17   14    7 o   29.925   1.8718  106.311   13.160  142.300   18.700   71.000   18.524   34.599   2.3020   24.239   3.3238 10.35968 4.043118 
1 1 1   17   14    8 o   57.193   3.3280  389.538   44.751  442.000   63.295  337.100   63.281   60.742   4.4437   52.863   5.1341 7.878906 6.790112 
1 1 1   17   14    9 o   9.6894   1.6249   11.402   3.5861   11.700   5.0586   11.100   5.0846   9.7485   2.2440   9.4945   2.2936 0.2540350 3.208757 
1 1 1   17   14   10 o   85.892   4.8257  884.622   97.479  1051.60  137.826  717.500  137.885   93.187   6.3005   76.377   7.7527 16.80994 9.990054 
1 1 1   17   14   11 o   87.160   4.8123  911.497   98.660  1039.50  139.555  783.600  139.498   92.535   6.4266   79.879   7.4828 12.65568 9.863742 
1 1 1   17   14   12 o   25.468   2.0002   77.239   11.932   78.900   16.685   75.500   17.072   25.639   2.8015   25.052   2.9418 0.5866241 4.062350 
1 1 1   17   14   13 o  103.336   5.7930  1292.54  140.788  1474.30  199.029  1110.50  199.178  109.343   7.7588   94.084   9.0780 15.25909 11.94185 
1 1 1   17   14   14 o   65.525   3.7461  513.542   57.722  564.900   81.638  462.200   81.625   68.370   5.0932   61.631   5.6723 6.739227 7.623382 
1 1 1   17   14   15 o   49.310   2.9472  289.981   34.160  343.100   48.318  236.900   48.300   53.472   3.8524   44.188   4.7012 9.284687 6.078000 
1 1 1   17   14   16 o   65.300   3.7142  510.767   57.035  585.100   80.677  436.500   80.641   69.533   4.9459   59.726   5.7906 9.806992 7.615302 
1 1 1   17   14   17 o   51.490   3.0916  316.820   37.416  342.800   52.894  290.800   52.934   53.294   4.2380   48.952   4.6346 4.342464 6.280115 
1 1 1   17   14   18 o   99.162   5.4770  1197.26  127.751  1381.60  180.714  1013.10  180.620  105.325   7.3113   89.166   8.6887 16.15845 11.35558 
1 1 1   17   14   19 o   82.956   4.6287  832.447   90.310  965.500  127.743  699.500  127.692   88.570   6.1459   74.672   7.3365 13.89814 9.570575 
1 1 1   17   14   20 o   23.192   1.9289   64.195   10.468   69.100   14.736   59.200   14.871   23.959   2.6490   22.104   2.9207 1.854527 3.943034 
1 1 1   17   14   21 o   32.376   2.3412  125.169   17.778  142.300   25.020  107.700   25.265   34.391   3.1148   29.760   3.6732 4.630692 4.816087 
1 1 1   17   14   22 o   53.803   3.3112  347.597   41.864  394.600   59.082  300.200   59.329   56.975   4.4262   49.386   5.1638 7.589500 6.801178 
1 1 1   17   14   23 o   48.297   3.0116  279.717   34.175  356.100   48.293  203.100   48.367   54.284   3.7913   40.476   5.1793 13.80825 6.418623 
1 1 1   17   14   24 o   38.250   2.5074  175.033   22.522  192.800   31.821  157.200   31.880   39.939   3.4066   35.924   3.8165 4.014824 5.115783 
1 1 1   17   14   25 o   28.366   2.0628   96.131   13.722  100.300   19.452   92.000   19.361   28.817   2.8979   27.558   3.0249 1.258675 4.189002 
1 1 1   17   14   26 o   81.720   4.8491  824.836   93.155  915.900  131.500  733.100  131.984   84.536   6.6409   74.702   7.5874 9.833931 10.08318 
1 1 1   17   14   27 o   21.668   1.8995   56.264   9.6207   63.500   13.546   48.900   13.666   22.902   2.5481   19.959   2.9919 2.943106 3.929910 
1 1 1   17   14   28 o   12.134   1.7378   17.856   4.8370   19.700   6.7416   15.900   6.9441   12.640   2.3450   11.290   2.6502 1.350253 3.538749 
1 1 1   17   14   29 o   63.154   3.8469  491.274   57.096  538.900   80.558  443.200   80.935   64.980   5.2962   58.321   5.9607 6.658215 7.973641 
1 1 1   17   14   30 o   47.134   3.0114  270.299   33.341  299.500   47.033  240.800   47.272   49.020   4.1008   43.586   4.6655 5.434593 6.211534 
1 1 1   17   14   31 o   9.1085   1.6657   10.186   3.4507   11.000   4.9223   9.4000   4.8389   9.3912   2.2493   8.6954   2.3154 0.6958141 3.228081 
1 1 1   17   14   32 o   47.029   2.5003  267.496   27.666  351.400   39.292  185.000   38.961   53.576   3.1193   38.117   4.4100 15.45878 5.401715 
1 1 1   17   14   33 o   7.3151   1.5237   6.6048   2.5464   12.000   3.7309   1.9000   3.4841   9.9031   1.6538   5.1059   1.9952 4.797260 2.591484 
1 1 1   17   14   34 o   31.112   2.2067  116.950   16.107  137.400   22.779   96.500   22.779   33.464   2.9117   27.735   3.5603 5.728828 4.599256 
1 1 1   17   14   35 o   56.055   3.1452  386.889   41.464  470.600   58.784  304.000   58.494   60.978   4.1064   47.948   5.2523 13.03015 6.666961 
1 1 1   17   14   36 o   25.881   2.0232   81.013   12.267   94.900   17.339   67.100   17.356   27.788   2.6756   23.090   3.2749 4.697603 4.228865 
1 1 1   17   14   37 o   13.351   1.7991   21.757   5.5273   19.400   8.2227   23.700   7.4655   12.327   2.8772   13.790   2.3785 -1.462969 3.733075 
1 1 1   17   14   38 o   13.867   2.5293   24.200   7.9773   24.200   7.9773   0.0000   0.0000   13.867   2.5293  ?   ?  0.000000 2.529298 
1 1 1   17   14   39 o   25.703   2.9403   83.300   17.524   83.300   17.524   0.0000   0.0000   25.703   2.9403  ?   ?  0.000000 2.940255 
1 1 1   17   14   40 o   15.122   2.6607   29.100   9.1542   29.100   9.1542   0.0000   0.0000   15.122   2.6607  ?   ?  0.000000 2.660683 
1 1 1   17   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   14   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15    0 o   24.877   2.8884   76.100   16.371   76.100   16.371   76.100   16.371   24.877   2.8884   24.877   2.8884 0.000000 0.000000 
1 1 1   17   15    1 o   26.031   1.9723   80.593   12.033   83.400   17.038   77.800   16.997   26.390   2.7758   25.464   2.8772 0.9256630 3.997873 
1 1 1   17   15    2 o   57.937   3.3730  399.595   45.946  379.500   64.970  419.700   64.986   56.188   4.9472   59.161   4.6902 -2.973328 6.817131 
1 1 1   17   15    3 o  115.627   6.0678  1608.25  165.096  1870.50  233.637  1346.70  233.324  123.886   8.0298  104.331   9.5777 19.55466 12.49837 
1 1 1   17   15    4 f   64.687   3.7104  498.716   56.440  508.300   79.750  489.100   79.887   65.010   5.2395   63.735   5.3577 1.274708 7.493847 
1 1 1   17   15    5 o   41.486   2.6008  204.641   25.349  235.100   35.855  174.200   35.844   44.369   3.4493   38.056   4.0510 6.312672 5.320535 
1 1 1   17   15    6 o   66.697   3.7698  530.470   59.130  555.900   83.673  505.100   83.573   67.973   5.2538   64.709   5.5222 3.263611 7.622178 
1 1 1   17   15    7 o  117.155   6.1712  1655.94  170.122  1887.20  240.910  1425.90  240.271  124.059   8.2711  107.062   9.6061 16.99626 12.67628 
1 1 1   17   15    8 o   56.400   3.2886  378.987   43.608  422.700   61.681  335.300   61.662   59.366   4.4319   52.712   5.0143 6.653984 6.692190 
1 1 1   17   15    9 o   42.486   2.6019  214.721   25.978  266.800   36.766  162.800   36.710   47.278   3.3143   36.697   4.3190 10.58017 5.444075 
1 1 1   17   15   10 o  110.349   6.0174  1472.49  156.204  1592.80  221.006  1352.40  220.807  113.597   8.2964  104.191   9.0650 9.406281 12.28839 
1 1 1   17   15   11 o   32.951   2.2309  129.178   17.256  122.100   24.366  136.300   24.442   31.885   3.2831   33.735   3.1031 -1.849707 4.517514 
1 1 1   17   15   12 o   87.093   4.8605  912.463   99.562  937.600  140.767  887.300  140.839   87.495   6.8684   85.007   7.0806 2.487778 9.864612 
1 1 1   17   15   13 o   40.076   2.6107  191.340   24.571  200.900   34.587  181.600   34.912   40.905   3.6181   38.829   3.8588 2.076344 5.289708 
1 1 1   17   15   14 o  111.170   6.3471  1508.53  165.930  1597.40  234.102  1418.80  235.222  112.690   8.8691  105.674   9.5289 7.016121 13.01773 
1 1 1   17   15   15 o   87.618   4.8681  926.814  100.324  1023.40  141.905  830.300  141.853   91.244   6.6315   81.725   7.4318 9.518852 9.960356 
1 1 1   17   15   16 o   41.050   2.6308  200.993   25.367  215.400   35.822  186.500   35.929   42.316   3.6197   39.287   3.9254 3.029137 5.339578 
1 1 1   17   15   17 o   12.617   1.6569   19.166   4.8172   23.800   6.8011   14.500   6.8241   14.012   2.1219   10.833   2.6819 3.179124 3.419788 
1 1 1   17   15   18 o  102.375   5.7307  1281.46  137.980  1382.00  195.123  1180.90  195.142  104.698   7.9518   96.156   8.6882 8.542015 11.77781 
1 1 1   17   15   19 o   37.531   2.4289  168.033   21.411  186.800   30.293  149.300   30.266   39.419   3.2843   35.119   3.7056 4.300465 4.951563 
1 1 1   17   15   20 o   92.829   5.3883  1053.63  117.606  1255.70  166.185  850.900  166.454  100.156   7.0722   81.072   8.8380 19.08344 11.31933 
1 1 1   17   15   21 f   57.091   3.3933  391.453   45.541  476.400   64.384  306.400   64.425   62.663   4.3787   49.747   5.5805 12.91614 7.093290 
1 1 1   17   15   22 o   24.297   1.9642   70.492   11.173   80.000   15.766   60.900   15.836   25.788   2.6258   22.375   3.0788 3.412422 4.046408 
1 1 1   17   15   23 o   78.199   4.6421  746.123   85.334  893.200  120.549  598.400  120.813   84.637   6.0721   68.143   7.6396 16.49379 9.758781 
1 1 1   17   15   24 o   78.912   4.5197  760.125   83.869  979.800  118.601  540.400  118.615   88.798   5.6860   64.281   7.9865 24.51754 9.803835 
1 1 1   17   15   25 o   8.1812   1.6268   8.2169   3.0322   10.500   4.3715   6.1000   4.2093   9.2173   2.0603   7.1841   2.2394 2.033262 3.042994 
1 1 1   17   15   26 o   70.074   4.0192  599.909   66.229  680.100   93.685  519.800   93.637   73.632   5.4264   63.670   6.3112 9.961880 8.323339 
1 1 1   17   15   27 o   42.430   3.8749  221.300   38.395  221.300   38.395   0.0000   0.0000   42.430   3.8749  ?   ?  0.000000 3.874873 
1 1 1   17   15   28 o   11.245   1.7741   15.409   4.5547   17.400   6.2809   13.200   6.6147   11.859   2.3261   10.290   2.6915 1.568527 3.557339 
1 1 1   17   15   29 o   51.463   3.1992  322.803   38.685  371.000   54.651  274.400   54.768   54.531   4.2785   46.338   5.0891 8.192848 6.648644 
1 1 1   17   15   30 o   34.413   2.3742  142.902   19.175  152.700   27.046  133.000   27.190   35.240   3.2881   32.751   3.5739 2.489204 4.856364 
1 1 1   17   15   31 o   50.671   3.1631  314.393   37.658  359.100   53.202  269.500   53.313   53.415   4.2532   45.677   5.0259 7.737873 6.583969 
1 1 1   17   15   32 o   2.4807   1.0997  -0.4542   1.2801   0.9000   1.8909  -1.6000   1.7393   3.7054   1.4631   2.5544   1.1886 1.150995 1.885083 
1 1 1   17   15   33 o   71.244   4.3627  643.686   73.042  682.000  103.048  605.000  103.547   70.902   6.2177   66.040   6.7343 4.862206 9.165682 
1 1 1   17   15   34 o   10.894   1.5738   14.431   3.9311   22.300   5.6409   7.0000   5.4815   13.541   1.8093   7.7666   2.5688 5.774800 3.142046 
1 1 1   17   15   35 o   32.312   2.1344  126.138   16.194  151.200   22.976  101.400   22.827   35.115   2.7940   28.417   3.4742 6.698086 4.458277 
1 1 1   17   15   36 o   43.883   2.6024  235.510   26.846  283.200   38.063  188.300   37.871   47.559   3.4119   38.113   4.2820 9.445408 5.475119 
1 1 1   17   15   37 o   20.984   1.6721   53.094   8.2166   67.200   11.773   39.700   11.473   23.476   2.1476   17.766   2.8296 5.709951 3.552338 
1 1 1   17   15   38 o   13.339   2.4746   22.400   7.5076   22.400   7.5076   0.0000   0.0000   13.339   2.4746  ?   ?  0.000000 2.474576 
1 1 1   17   15   39 o   18.179   2.6396   41.600   11.000   41.600   11.000   0.0000   0.0000   18.179   2.6396  ?   ?  0.000000 2.639592 
1 1 1   17   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   15   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16    0 o  145.367   11.579  2619.60  391.650  2619.60  391.650  2619.60  391.650  145.367   11.579  145.367   11.579 0.000000 0.000000 
1 1 1   17   16    1 f   62.364   3.6134  463.585   52.985  511.800   74.905  415.300   74.959   65.289   4.8942   58.645   5.4763 6.644218 7.344590 
1 1 1   17   16    2 o   77.655   4.3176  720.564   78.859  824.700  111.543  616.500  111.504   82.728   5.7455   71.194   6.7119 11.53429 8.835157 
1 1 1   17   16    3 o   99.559   5.5641  1191.67  130.285  1290.90  184.135  1092.20  184.365  102.836   7.6373   94.232   8.3727 8.603706 11.33274 
1 1 1   17   16    4 o   64.118   3.7223  490.411   56.115  555.000   79.322  425.700   79.396   67.961   4.9774   59.290   5.7430 8.671562 7.599729 
1 1 1   17   16    5 o   51.444   3.0808  315.121   37.253  351.300   52.668  278.900   52.699   54.150   4.1505   48.105   4.6992 6.044785 6.269737 
1 1 1   17   16    6 o  108.930   6.0366  1432.57  154.669  1523.20  218.650  1341.80  218.819  111.214   8.3875  104.023   8.9968 7.190956 12.30015 
1 1 1   17   16    7 o   55.748   3.2828  370.418   43.024  383.300   60.804  357.500   60.887   56.463   4.6005   54.477   4.7815 1.985466 6.635301 
1 1 1   17   16    8 o   37.292   2.4347  165.458   21.322  187.100   30.149  143.800   30.160   39.554   3.2568   34.558   3.7564 4.995892 4.971655 
1 1 1   17   16    9 o   54.079   3.1925  348.652   40.587  350.900   57.369  346.400   57.429   53.989   4.5421   53.631   4.5786 0.3579636 6.449369 
1 1 1   17   16   10 o   70.794   4.0813  600.092   67.937  658.400   96.002  541.600   96.154   73.739   5.5542   66.638   6.1809 7.101501 8.309805 
1 1 1   17   16   11 o  117.660   6.4593  1685.79  178.775  1883.50  252.864  1488.20  252.790  122.843   8.7749  108.257   10.002 14.58548 13.30543 
1 1 1   17   16   12 o  119.801   6.3835  1749.08  179.935  2123.80  254.627  1375.30  254.306  130.675   8.2948  103.421   10.561 27.25478 13.42937 
1 1 1   17   16   13 o  113.956   6.3402  1585.48  169.934  1728.70  240.299  1442.20  240.346  117.307   8.7376  106.381   9.6735 10.92662 13.03542 
1 1 1   17   16   14 o   82.863   4.6435  827.746   90.493  889.300  127.980  766.200  127.972   85.118   6.4144   78.710   6.9569 6.408501 9.462766 
1 1 1   17   16   15 o   59.057   3.5358  417.834   49.082  458.600   69.299  376.800   69.526   61.514   4.8091   55.542   5.3680 5.971676 7.207154 
1 1 1   17   16   16 f   30.990   2.1410  114.412   15.571  142.400   22.036   86.500   22.006   34.504   2.7268   26.678   3.5839 7.826063 4.503339 
1 1 1   17   16   17 o   42.090   2.5664  211.298   25.386  247.300   35.952  175.500   35.850   45.390   3.3785   38.042   4.0533 7.347733 5.276661 
1 1 1   17   16   18 o   74.356   4.0999  666.203   71.708  796.300  101.468  536.400  101.353   80.758   5.3512   65.617   6.6322 15.14066 8.521828 
1 1 1   17   16   19 o   38.687   2.5907  178.804   23.530  217.600   33.211  139.700   33.342   42.544   3.3325   33.807   4.2720 8.736916 5.418042 
1 1 1   17   16   20 o   21.436   1.8620   54.880   9.3312   61.300   13.166   48.400   13.227   22.565   2.5135   19.948   2.8924 2.617680 3.831993 
1 1 1   17   16   21 o   18.435   1.7550   40.640   7.5475   51.500   10.679   29.800   10.669   20.706   2.2186   15.541   3.0160 5.164094 3.744108 
1 1 1   17   16   22 o   37.244   2.4586  165.827   21.501  190.600   30.391  141.000   30.423   39.763   3.2655   34.010   3.8564 5.752407 5.053234 
1 1 1   17   16   23 o   81.953   4.7207  821.494   90.970  1057.80  128.625  585.000  128.676   92.118   5.9449   66.682   8.3554 25.43651 10.25451 
1 1 1   17   16   24 o   23.241   1.8525   64.536   10.082   84.300   14.281   44.900   14.235   26.507   2.3045   19.077   3.2782 7.430172 4.007139 
1 1 1   17   16   25 o   45.600   2.6983  249.690   28.926  307.300   40.964  192.400   40.850   50.342   3.4671   39.414   4.4680 10.92759 5.655468 
1 1 1   17   16   26 o   38.850   2.4920  181.279   22.741  214.900   32.171  147.700   32.151   42.069   3.2640   34.572   4.0129 7.496937 5.172774 
1 1 1   17   16   27 o   4.5160   1.4846   2.3128   1.8318   2.7000   2.7403   2.0000   2.4630   5.1171   1.8125   4.6295   1.7076 0.4875441 2.490190 
1 1 1   17   16   28 o   26.929   2.1104   87.163   13.313  114.900   18.789   59.200   18.866   30.810   2.6070   21.683   3.8244 9.126974 4.628488 
1 1 1   17   16   29 o   18.880   1.8427   42.900   8.1104   53.600   11.417   32.000   11.523   21.014   2.3407   15.967   3.1680 5.046300 3.938900 
1 1 1   17   16   30 o   16.195   2.5228   32.300   9.3334   32.300   9.3334   0.0000   0.0000   16.195   2.5228  ?   ?  0.000000 2.522808 
1 1 1   17   16   31 o   37.110   2.5466  166.936   22.181  188.100   31.268  145.500   31.469   39.003   3.4299   33.992   3.9969 5.011063 5.266813 
1 1 1   17   16   32 o   46.314   2.8598  261.570   31.123  247.700   43.889  275.600   44.140   44.228   4.2549   46.828   4.0311 -2.599880 5.861239 
1 1 1   17   16   33 o   29.557   2.1208  105.394   14.703   98.900   20.706  112.000   20.883   28.263   3.1564   30.173   2.9694 -1.909950 4.333570 
1 1 1   17   16   34 o   2.8031   1.2066  -0.1340   1.4449  -0.4000   1.9367   0.2000   2.1701   3.1544   1.3770   3.5908   1.5093 -0.4363918 2.043036 
1 1 1   17   16   35 o   49.293   3.0906  300.086   35.792  307.300   50.494  292.800   50.742   48.781   4.4319   47.470   4.5837 1.310917 6.375900 
1 1 1   17   16   36 o   18.366   1.7680   40.803   7.5729   37.400   10.565   44.400   10.861   17.312   2.6704   18.954   2.4865 -1.642839 3.648759 
1 1 1   17   16   37 o   50.153   3.0255  313.322   35.664  356.900   50.540  270.100   50.333   52.406   4.1172   44.798   4.8347 7.607590 6.350266 
1 1 1   17   16   38 o   16.785   2.6068   35.400   9.9968   35.400   9.9968   0.0000   0.0000   16.785   2.6068  ?   ?  0.000000 2.606806 
1 1 1   17   16   39 o   27.936   3.1747   99.700   20.571   99.700   20.571   0.0000   0.0000   27.936   3.1747  ?   ?  0.000000 3.174682 
1 1 1   17   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   16   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17    0 o   29.789   3.1456  108.500   21.562  108.500   21.562  108.500   21.562   29.789   3.1456   29.789   3.1456 0.000000 0.000000 
1 1 1   17   17    1 o   83.349   4.6409  832.242   90.980  807.500  128.644  857.000  128.686   81.446   6.7498   83.996   6.5395 -2.550819 9.398119 
1 1 1   17   17    2 o   73.398   4.0606  643.696   70.104  599.900   99.025  687.700   99.260   70.347   6.0192   75.477   5.6094 -5.129570 8.227744 
1 1 1   17   17    3 o  125.905   6.8550  1925.52  203.038  1862.50  286.852  1988.80  287.427  121.887   10.056  126.213   9.7189 -4.325684 13.98509 
1 1 1   17   17    4 o  102.721   5.6703  1272.05  137.008  1276.00  193.705  1268.10  193.811  101.790   8.1266  101.457   8.1587 0.3333740 11.51550 
1 1 1   17   17    5 f  128.005   7.1296  1997.19  214.649  2142.90  303.417  1851.20  303.701  130.745   9.9012  120.847   10.755 9.897705 14.61866 
1 1 1   17   17    6 o   46.349   2.8628  255.841   31.179  268.500   44.023  243.100   44.164   47.301   3.9783   44.947   4.2102 2.354103 5.792432 
1 1 1   17   17    7 o   5.1443   1.5238   3.1698   1.9825   3.8000   2.7620   2.5000   2.8473   5.7249   1.8181   5.0803   1.8417 0.6445818 2.587968 
1 1 1   17   17    8 o   7.5382   1.6811   6.9876   2.9163   8.0000   4.0523   5.9000   4.2002   8.0720   2.1044   7.1099   2.2404 0.9621639 3.073723 
1 1 1   17   17    9 o   91.613   5.1236  1011.50  110.395  1045.50  156.016  977.400  156.229   92.236   7.2208   89.026   7.5015 3.209694 10.41214 
1 1 1   17   17   10 o   94.266   5.1991  1072.31  115.283  1239.30  163.057  905.400  163.013  100.552   6.9092   85.226   8.2013 15.32632 10.72373 
1 1 1   17   17   11 o   63.823   3.6301  487.209   54.482  542.600   77.078  431.900   77.021   67.019   4.9045   59.560   5.5399 7.458569 7.398944 
1 1 1   17   17   12 o   94.762   5.0601  1084.76  112.819  1343.80  159.655  826.400  159.444  104.761   6.4858   81.019   8.4589 23.74166 10.65918 
1 1 1   17   17   13 o   65.593   3.7739  515.815   58.206  572.100   82.305  459.500   82.327   68.668   5.1125   61.273   5.7575 7.394337 7.699785 
1 1 1   17   17   14 o   64.204   3.7159  494.327   56.096  521.900   79.294  466.700   79.370   65.514   5.1675   61.813   5.4950 3.700871 7.543139 
1 1 1   17   17   15 o   80.701   4.4717  785.618   84.881  926.800  120.096  644.700  119.984   87.019   5.8790   71.880   7.1644 15.13947 9.267761 
1 1 1   17   17   16 o   26.948   1.9952   86.546   12.606   80.800   17.745   92.400   17.911   25.885   2.9562   27.735   2.7719 -1.850046 4.052502 
1 1 1   17   17   17 o   36.539   2.4048  159.256   20.633  177.500   29.174  141.000   29.184   38.430   3.2453   34.127   3.6797 4.302414 4.906306 
1 1 1   17   17   18 o   76.147   4.3691  701.084   78.233  724.400  110.438  677.600  110.838   76.534   6.1631   73.865   6.4184 2.669006 8.898338 
1 1 1   17   17   19 o   45.597   2.7014  248.414   28.957  331.700   40.985  165.400   40.917   52.566   3.3189   36.637   4.8488 15.92882 5.875853 
1 1 1   17   17   20 o   22.486   1.8985   60.383   9.9861   71.600   14.102   49.100   14.143   24.411   2.4809   20.051   3.0861 4.359613 3.959657 
1 1 1   17   17   21 o   63.420   3.4413  483.744   51.343  631.700   72.710  336.600   72.510   72.147   4.2872   51.849   6.0352 20.29729 7.402975 
1 1 1   17   17   22 o   63.789   3.6677  491.292   55.013  624.600   77.818  358.100   77.784   71.495   4.6343   53.255   6.3080 18.23973 7.827356 
1 1 1   17   17   23 o   55.343   3.2816  369.043   42.695  450.000   60.382  288.100   60.377   60.739   4.2365   48.026   5.4186 12.71236 6.878144 
1 1 1   17   17   24 o   51.238   2.9427  315.821   35.455  410.000   50.202  222.100   50.080   58.113   3.6773   42.108   5.1435 16.00478 6.322854 
1 1 1   17   17   25 o   28.876   1.9586   99.669   13.276  129.000   18.834   70.700   18.717   32.764   2.4521   23.966   3.4029 8.797997 4.194382 
1 1 1   17   17   26 o   48.862   2.8752  288.221   33.028  348.100   46.759  228.600   46.659   53.324   3.7371   42.702   4.7054 10.62158 6.008883 
1 1 1   17   17   27 o   55.098   3.0688  368.288   39.768  455.600   56.358  281.700   56.123   60.782   3.9480   47.031   5.1370 13.75013 6.478896 
1 1 1   17   17   28 o   32.644   2.3070  128.320   17.669  134.300   24.844  122.200   25.133   33.101   3.2192   31.481   3.4368 1.620506 4.709062 
1 1 1   17   17   29 o   28.210   2.1475   95.842   14.198  112.100   20.023   79.400   20.136   30.313   2.8300   25.253   3.4684 5.060299 4.476439 
1 1 1   17   17   30 f   36.004   2.4493  156.807   20.700  161.900   29.113  151.600   29.438   36.169   3.4505   34.908   3.6241 1.260838 5.003991 
1 1 1   17   17   31 o   37.322   2.5801  169.025   22.599  211.700   31.895  126.000   32.025   41.455   3.2851   31.357   4.4500 10.09832 5.531197 
1 1 1   17   17   32 o   31.871   2.2824  122.819   17.064  142.100   24.089  103.400   24.175   34.000   3.0322   28.703   3.6492 5.297268 4.744568 
1 1 1   17   17   33 o   18.054   2.5759   40.200   10.670   40.200   10.670   0.0000   0.0000   18.054   2.5759  ?   ?  0.000000 2.575854 
1 1 1   17   17   34 o   33.229   2.4817  134.396   19.332  167.800   27.201  100.300   27.481   36.822   3.1590   27.831   4.3218 8.990408 5.353194 
1 1 1   17   17   35 o   11.755   1.7021   16.866   4.5870   16.200   6.3344   17.600   6.6512   11.349   2.4364   11.834   2.4604 -0.4846640 3.462634 
1 1 1   17   17   36 o   37.667   2.5778  174.160   22.790  187.400   32.098  160.700   32.364   38.418   3.5794   35.291   3.9515 3.127949 5.331623 
1 1 1   17   17   37 o   3.7482   1.4910   0.8813   1.9770  -1.3000   2.6133   3.8000   3.0230   3.4133   1.5378   5.7488   1.9080 -2.335489 2.450555 
1 1 1   17   17   38 o   12.566   2.6733   20.200   7.6885   20.200   7.6885   0.0000   0.0000   12.566   2.6733  ?   ?  0.000000 2.673343 
1 1 1   17   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   17   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18    0 o   9.4003   2.9376   13.100   5.7195   13.100   5.7195   13.100   5.7195   9.4003   2.9376   9.4003   2.9376 0.000000 0.000000 
1 1 1   17   18    1 o  116.989   6.4954  1661.89  178.732  1733.90  252.603  1589.70  252.928  117.936   9.1420  112.592   9.6051 5.343605 13.26019 
1 1 1   17   18    2 o   52.637   3.1058  330.176   38.432  316.200   54.305  344.200   54.398   51.237   4.5353   53.516   4.3421 -2.279236 6.278766 
1 1 1   17   18    3 o   85.309   4.7896  874.102   96.093  938.500  135.841  809.600  135.951   87.748   6.6043   81.240   7.1600 6.507721 9.740755 
1 1 1   17   18    4 o   62.357   3.5923  464.349   52.671  463.900   74.386  464.800   74.591   61.966   5.1298   62.024   5.1392 -0.5792618E-01 7.261272 
1 1 1   17   18    5 o  195.557   11.215  4895.49  515.735  5288.40  729.276  4502.40  729.442  195.830   15.908  177.856   17.599 17.97385 23.72353 
1 1 1   17   18    6 o   35.796   2.3924  152.531   20.105  191.500   28.422  113.500   28.445   40.039   3.0285   30.584   4.0373 9.455616 5.046994 
1 1 1   17   18    7 o   80.247   4.5053  773.162   85.026  782.900  120.171  763.400  120.318   80.081   6.4086   79.032   6.5049 1.048401 9.131474 
1 1 1   17   18    8 o   6.8848   1.6400   5.8333   2.6282   5.4000   3.6498   6.3000   3.7876   6.7610   2.0817   7.2240   2.0969 -0.4629903 2.954695 
1 1 1   17   18    9 o   77.737   4.4194  726.114   80.789  803.400  114.206  648.700  114.301   81.203   5.9984   72.623   6.7422 8.580711 9.024290 
1 1 1   17   18   10 o   52.254   3.1121  325.956   38.226  328.800   54.008  323.100   54.113   52.195   4.4236   51.724   4.4745 0.4706841 6.292008 
1 1 1   17   18   11 o   42.658   2.6793  216.965   26.851  236.200   37.958  197.700   37.989   44.335   3.6584   40.456   4.0303 3.879833 5.443053 
1 1 1   17   18   12 o   24.828   1.8916   73.430   11.006   64.900   15.503   82.100   15.629   23.184   2.8948   26.171   2.5618 -2.987103 3.865565 
1 1 1   17   18   13 o   54.359   3.2161  353.352   41.099  362.300   58.115  344.400   58.130   54.708   4.5396   53.293   4.6662 1.414612 6.510140 
1 1 1   17   18   14 o   45.295   2.6896  244.739   28.638  293.700   40.547  196.000   40.455   49.471   3.4934   40.167   4.3338 9.303684 5.566498 
1 1 1   17   18   15 o   61.869   3.3552  458.284   48.834  545.000   69.169  372.100   68.956   67.169   4.3850   55.119   5.3660 12.04930 6.929791 
1 1 1   17   18   16 o   91.963   4.9918  1027.36  107.994  1214.80  152.823  840.400  152.631   99.029   6.5726   81.333   8.0530 17.69606 10.39476 
1 1 1   17   18   17 o   67.447   3.9316  547.953   62.345  563.400   87.880  532.300   88.462   67.745   5.5421   65.738   5.7568 2.006721 7.990912 
1 1 1   17   18   18 o   59.629   3.5689  427.475   50.021  499.200   70.678  355.500   70.802   64.044   4.7065   53.610   5.6794 10.43403 7.376067 
1 1 1   17   18   19 o   42.620   2.7285  217.275   27.315  242.400   38.572  192.000   38.687   44.799   3.6788   39.697   4.1905 5.102226 5.576162 
1 1 1   17   18   20 o   14.178   1.7279   24.178   5.6654   30.400   7.9632   17.800   8.0620   15.850   2.1858   11.976   2.8850 3.873531 3.619535 
1 1 1   17   18   21 o   12.012   1.7211   17.451   4.7422   20.200   6.5907   14.500   6.8285   12.849   2.2544   10.816   2.6859 2.033541 3.506653 
1 1 1   17   18   22 o   40.550   2.6098  196.982   24.857  223.900   35.131  170.000   35.173   43.008   3.4894   37.266   4.0629 5.741863 5.355633 
1 1 1   17   18   23 o   26.986   2.0119   87.071   12.729  105.100   18.016   69.100   17.987   29.547   2.6089   23.751   3.2959 5.795450 4.203464 
1 1 1   17   18   24 f   45.911   2.8816  253.910   31.082  321.900   43.937  185.800   43.976   51.423   3.6419   38.473   4.9557 12.94976 6.150048 
1 1 1   17   18   25 o   54.569   3.2582  361.093   41.792  407.600   59.108  314.600   59.098   57.385   4.3954   49.989   5.0770 7.395885 6.715362 
1 1 1   17   18   26 o   67.812   3.8567  565.037   61.502  677.800   87.040  452.600   86.914   73.281   5.0610   58.725   6.3697 14.55543 8.135545 
1 1 1   17   18   27 o   74.515   4.0568  686.996   71.113  837.300  100.722  537.600  100.417   81.011   5.2944   63.315   6.8243 17.69563 8.637183 
1 1 1   17   18   28 o   18.194   1.7495   39.795   7.4235   41.100   10.520   38.500   10.477   18.328   2.4958   17.707   2.5816 0.6207390 3.590740 
1 1 1   17   18   29 o   43.673   2.6078  230.916   26.771  273.100   37.943  189.100   37.777   47.090   3.4359   38.742   4.1965 8.348175 5.423643 
1 1 1   17   18   30 o   50.387   3.2031  311.337   37.912  333.500   53.394  288.800   53.842   51.289   4.4528   47.382   4.8822 3.907330 6.607803 
1 1 1   17   18   31 o   58.367   3.6481  422.745   50.028  460.200   70.522  384.800   70.981   59.608   5.0579   53.887   5.6628 5.720695 7.592783 
1 1 1   17   18   32 o   45.859   2.9925  257.579   32.228  284.800   45.388  229.900   45.769   47.512   4.0853   42.249   4.6654 5.262913 6.201273 
1 1 1   17   18   33 o   47.669   3.0407  279.071   34.048  321.300   48.083  236.600   48.220   50.408   4.0743   42.608   4.8806 7.799786 6.357742 
1 1 1   17   18   34 o   9.7859   1.8705   11.851   4.1649   17.200   5.7623   6.0000   6.0267   11.775   2.1516   7.5220   2.6854 4.253193 3.441035 
1 1 1   17   18   35 o   9.5459   1.7314   11.243   3.7590   9.8000   5.2182   12.800   5.4197   8.8403   2.4262   10.084   2.3238 -1.243862 3.359510 
1 1 1   17   18   36 o   12.964   1.8142   20.576   5.4014   19.900   7.7939   21.200   7.4925   12.503   2.7174   12.964   2.5384 -0.4603081 3.718574 
1 1 1   17   18   37 o   6.6961   1.9190   5.5488   3.1906   3.7000   4.2644   7.9000   4.8090   6.1104   2.2480   7.9753   2.3758 -1.864872 3.270764 
1 1 1   17   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   18   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19    0 o   54.298   4.6667  358.200   58.818  358.200   58.818  358.200   58.818   54.298   4.6667   54.298   4.6667 0.000000 0.000000 
1 1 1   17   19    1 o   52.798   3.1369  332.443   38.934  331.100   54.923  333.800   55.199   52.421   4.4799   52.635   4.4839 -0.2139130 6.338392 
1 1 1   17   19    2 o  107.204   5.7518  1390.83  145.073  1586.30  205.383  1196.20  204.945  113.430   7.7137   97.690   8.9850 15.74039 11.84193 
1 1 1   17   19    3 f   32.946   2.2376  129.183   17.305  140.600   24.491  117.800   24.454   34.266   3.0589   31.291   3.3624 2.975256 4.545630 
1 1 1   17   19    4 o   81.463   4.5667  797.256   87.493  821.300  123.719  773.200  123.748   81.999   6.4413   79.457   6.6568 2.541420 9.263008 
1 1 1   17   19    5 o   93.880   4.8472  1060.66  107.089  1296.60  151.719  826.400  151.175  103.192   6.2559   81.511   7.9557 21.68130 10.12069 
1 1 1   17   19    6 o   21.324   1.8530   54.224   9.2375   60.500   13.039   47.900   13.088   22.448   2.5025   19.881   2.8712 2.567278 3.808739 
1 1 1   17   19    7 o   25.332   1.9296   76.419   11.456   69.800   16.163   83.100   16.239   24.067   2.9027   26.329   2.6479 -2.262581 3.928952 
1 1 1   17   19    8 o   81.767   4.6139  805.088   88.722  834.800  125.392  775.300  125.553   82.493   6.4895   79.353   6.7650 3.139984 9.374354 
1 1 1   17   19    9 o  134.721   7.3774  2245.51  233.801  2093.70  330.332  2397.90  330.959  126.418   11.181  136.270   10.363 -9.851891 15.24483 
1 1 1   17   19   10 o   11.439   1.6930   15.821   4.4349   18.900   6.2021   12.600   6.3441   12.445   2.1904   10.114   2.6312 2.331060 3.423663 
1 1 1   17   19   11 o   88.368   4.9753  945.143  103.397  973.700  146.117  916.500  146.334   88.630   7.0396   85.827   7.2894 2.803467 10.13368 
1 1 1   17   19   12 o   53.208   3.1272  338.419   39.119  366.500   55.354  310.400   55.292   55.090   4.2889   50.560   4.6844 4.529797 6.351272 
1 1 1   17   19   13 f   75.779   4.2902  692.102   76.455  707.000  108.116  677.200  108.132   75.821   6.0900   74.125   6.2356 1.695915 8.716091 
1 1 1   17   19   14 o   88.215   4.8755  943.532  101.165  1065.10  143.139  822.200  143.000   92.768   6.5769   80.840   7.5796 11.92820 10.03526 
1 1 1   17   19   15 o   26.989   2.0182   86.846   12.769   85.800   18.020   87.900   18.097   26.685   2.9067   27.018   2.8809 -0.3330574 4.092542 
1 1 1   17   19   16 o   61.691   3.5583  457.076   51.615  514.800   73.010  399.400   72.980   65.050   4.7867   56.982   5.4918 8.067703 7.285073 
1 1 1   17   19   17 o   72.161   4.0592  628.428   68.886  604.700   97.071  652.500   97.773   69.929   5.9346   72.762   5.7370 -2.833267 8.254258 
1 1 1   17   19   18 o   26.134   2.0011   81.502   12.255   81.900   17.279   81.100   17.384   26.057   2.8550   25.921   2.8893 0.1358509 4.061863 
1 1 1   17   19   19 o   33.839   2.3459  136.823   18.630  147.100   26.255  126.400   26.440   34.916   3.2206   32.273   3.5268 2.643429 4.776099 
1 1 1   17   19   20 o   66.809   3.9106  540.135   61.424  624.700   86.824  455.400   86.910   71.218   5.1987   60.219   6.2005 10.99940 8.091548 
1 1 1   17   19   21 o   66.309   3.9063  533.057   60.895  573.200   86.004  492.700   86.233   67.977   5.4025   62.708   5.8926 5.268150 7.994368 
1 1 1   17   19   22 o   4.2180   1.5012   1.8037   1.8821   2.1000   2.6454   1.5000   2.6783   4.7783   1.7683   4.5147   1.7534 0.2635837 2.490268 
1 1 1   17   19   23 o   29.750   2.1529  105.973   15.022  120.900   21.228   91.000   21.260   31.623   2.8742   27.269   3.3737 4.353785 4.432009 
1 1 1   17   19   24 o   25.832   1.9146   79.837   11.595  104.900   16.435   55.000   16.361   29.534   2.3768   21.072   3.4041 8.462112 4.151771 
1 1 1   17   19   25 o   16.671   1.7197   33.400   6.6730   35.100   9.4370   31.700   9.4370   16.954   2.4263   16.063   2.5750 0.8915405 3.538025 
1 1 1   17   19   26 o   28.808   2.0456   99.560   13.825  118.900   19.597   80.400   19.506   31.329   2.6747   25.530   3.3138 5.798752 4.258560 
1 1 1   17   19   27 f   20.649   1.7672   51.162   8.5340   64.900   12.108   37.600   12.030   23.173   2.2407   17.378   3.0425 5.794891 3.778603 
1 1 1   17   19   28 o   53.311   3.1238  346.967   39.153  417.200   55.423  277.000   55.318   57.817   4.0858   46.327   5.1436 11.48969 6.568894 
1 1 1   17   19   29 o   26.750   1.9991   86.072   12.536   97.600   17.751   74.600   17.707   28.294   2.6892   24.562   3.1236 3.731148 4.121727 
1 1 1   17   19   30 o   37.274   2.3627  167.843   20.688  196.300   29.312  139.600   29.202   39.991   3.1290   33.392   3.7695 6.599133 4.898908 
1 1 1   17   19   31 o   11.747   1.6721   16.776   4.5070   14.100   6.1875   19.800   6.5783   10.601   2.5105   12.646   2.2871 -2.045032 3.396049 
1 1 1   17   19   32 o   36.699   2.5006  163.536   21.541  169.300   30.241  157.600   30.691   36.857   3.5173   35.440   3.7229 1.417130 5.121719 
1 1 1   17   19   33 o   24.997   2.0099   75.489   11.764   78.300   16.525   72.600   16.751   25.190   2.8269   24.180   2.9979 1.009449 4.120521 
1 1 1   17   19   34 o   30.374   2.3251  112.332   16.549  148.400   23.330   75.800   23.480   34.670   2.8756   24.026   4.2962 10.64419 5.169807 
1 1 1   17   19   35 o   23.453   2.0507   66.876   11.243   78.700   15.753   54.600   16.051   25.209   2.6878   20.648   3.4112 4.560818 4.342854 
1 1 1   17   19   36 o   2.3929   1.0591  -0.3967   1.1831   1.6000   1.3224  -8.4000   2.6476   3.7756   1.2622   2.1943   1.1057 1.581330 1.678024 
1 1 1   17   19   37 f   33.020   2.2692  133.710   17.586  159.500   25.063  108.700   24.681   35.590   3.0104   28.880   3.7046 6.710855 4.773556 
1 1 1   17   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   19   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20    0 o   27.643   3.0225   93.700   19.130   93.700   19.130   93.700   19.130   27.643   3.0225   27.643   3.0225 0.000000 0.000000 
1 1 1   17   20    1 o  116.792   6.4990  1665.93  178.525  1516.10  252.502  1815.70  252.444  109.032   9.9156  120.183   8.9596 -11.15084 13.36394 
1 1 1   17   20    2 o   57.207   3.3480  390.949   45.029  394.100   63.691  387.800   63.671   57.100   4.7673   56.627   4.8070 0.4721756 6.770098 
1 1 1   17   20    3 o   41.257   2.5917  202.787   25.121  217.900   35.543  187.700   35.511   42.609   3.5653   39.466   3.8599 3.142719 5.254519 
1 1 1   17   20    4 o   60.504   3.2235  436.916   45.888  536.500   65.072  338.400   64.722   66.841   4.1432   52.725   5.2690 14.11612 6.702828 
1 1 1   17   20    5 o   47.926   2.9011  273.986   32.676  284.100   46.244  263.900   46.179   48.570   4.0696   46.762   4.2277 1.807453 5.868142 
1 1 1   17   20    6 o   94.217   5.1996  1074.44  115.233  1026.60  162.780  1122.50  163.149   90.800   7.6635   95.186   7.3145 -4.386154 10.59391 
1 1 1   17   20    7 o  110.632   6.1539  1495.58  160.128  1472.80  226.377  1518.40  226.535  107.771   8.9771  109.555   8.8318 -1.783958 12.59321 
1 1 1   17   20    8 o   85.694   4.8537  887.425   97.814  921.800  138.178  852.900  138.481   86.388   6.8294   82.908   7.1432 3.480423 9.882594 
1 1 1   17   20    9 o   36.251   2.3742  156.589   20.211  153.000   28.540  160.200   28.626   35.652   3.4325   36.503   3.3587 -0.8507309 4.802392 
1 1 1   17   20   10 o   97.756   5.4545  1162.38  125.409  1176.70  177.481  1148.10  177.228   96.883   7.8247   95.624   7.9201 1.258736 11.13344 
1 1 1   17   20   11 o   54.597   3.2435  356.673   41.628  383.200   58.846  330.100   58.897   56.273   4.4652   52.089   4.8438 4.183872 6.587919 
1 1 1   17   20   12 o   43.966   2.7017  230.720   27.913  264.300   39.492  197.200   39.457   46.883   3.5947   40.310   4.2072 6.572178 5.533733 
1 1 1   17   20   13 o   62.485   3.5917  468.572   52.772  513.000   74.654  424.200   74.607   64.946   4.9040   58.827   5.4322 6.119793 7.318310 
1 1 1   17   20   14 o   24.017   1.9176   68.802   10.784   72.900   15.248   64.700   15.255   24.614   2.6660   23.139   2.8523 1.475523 3.904276 
1 1 1   17   20   15 o   19.473   1.7714   45.296   8.0564   48.500   11.401   42.100   11.386   20.053   2.4593   18.625   2.6648 1.427605 3.626198 
1 1 1   17   20   16 o   53.107   3.2311  338.246   40.327  407.100   56.991  269.200   57.071   57.987   4.1903   46.735   5.2631 11.25228 6.727447 
1 1 1   17   20   17 o   29.374   2.1419  102.983   14.754  114.800   20.836   91.100   20.894   30.892   2.8899   27.405   3.2948 3.486732 4.382565 
1 1 1   17   20   18 o   37.124   2.4797  164.766   21.613  192.000   30.528  137.400   30.602   39.915   3.2675   33.554   3.9372 6.361465 5.116429 
1 1 1   17   20   19 o   26.066   2.0570   81.191   12.558   92.700   17.690   69.500   17.830   27.743   2.7359   23.875   3.2467 3.867996 4.245720 
1 1 1   17   20   20 o   46.302   2.8986  257.376   31.532  270.400   44.464  244.200   44.723   47.105   4.0364   44.657   4.2940 2.448368 5.893291 
1 1 1   17   20   21 o   12.883   1.6864   20.023   5.0069   21.200   7.0149   18.800   7.1488   13.145   2.3461   12.329   2.5401 0.8158360 3.457726 
1 1 1   17   20   22 o   21.680   1.8790   56.284   9.5244   63.500   13.438   49.000   13.501   22.917   2.5252   20.002   2.9467 2.914822 3.880654 
1 1 1   17   20   23 o  104.619   5.9767  1394.75  147.038  1777.50  208.010  1012.50  207.875  115.458   7.6732   82.416   10.953 33.04207 13.37310 
1 1 1   17   20   24 o   52.389   3.1356  332.909   38.612  382.100   54.628  283.800   54.582   55.572   4.1938   47.424   4.9469 8.148426 6.485376 
1 1 1   17   20   25 o   23.223   1.8730   64.667   10.184   74.100   14.428   55.300   14.377   24.729   2.5053   21.213   2.9500 3.516401 3.870272 
1 1 1   17   20   26 o   29.714   1.9553  105.821   13.643  143.300   19.367   68.900   19.222   34.478   2.3936   23.494   3.5778 10.98443 4.304635 
1 1 1   17   20   27 o   49.418   2.7699  296.019   32.193  388.200   45.622  204.600   45.433   56.221   3.4532   39.931   4.9226 16.29041 6.013004 
1 1 1   17   20   28 f   23.116   1.8797   64.226   10.172   73.900   14.403   54.600   14.367   24.646   2.5099   21.012   2.9790 3.633886 3.895383 
1 1 1   17   20   29 o   31.084   2.0095  116.105   14.671  150.200   20.823   82.500   20.673   35.204   2.5216   25.699   3.4975 9.504789 4.311744 
1 1 1   17   20   30 o   12.573   1.6164   19.140   4.6878   22.100   6.7617   16.400   6.5048   13.397   2.2149   11.449   2.4779 1.947234 3.323498 
1 1 1   17   20   31 o   14.821   1.6637   26.523   5.7220   27.500   8.2102   25.600   7.9789   14.922   2.4124   14.379   2.4369 0.5425615 3.429070 
1 1 1   17   20   32 o   27.450   2.0853   91.014   13.416   93.100   18.911   88.900   19.034   27.457   2.9638   26.784   3.0647 0.6729660 4.263387 
1 1 1   17   20   33 o   9.4861   1.8128   11.130   3.9126   12.500   5.3076   9.5000   5.7904   9.9775   2.2999   8.7655   2.6060 1.211953 3.475770 
1 1 1   17   20   34 o   8.2102   1.6749   8.3565   3.1371   3.0000   4.2921   14.500   4.5967   5.8748   2.2356   10.842   1.8626 -4.966934 2.909806 
1 1 1   17   20   35 o   24.908   2.1220   75.595   12.362   88.500   17.259   62.000   17.715   26.682   2.7801   21.939   3.5399 4.742411 4.501141 
1 1 1   17   20   36 o   17.189   1.8537   36.033   7.4052   41.700   10.536   30.500   10.410   18.282   2.5066   15.423   2.9662 2.859437 3.883425 
1 1 1   17   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   20   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21    0 o   77.956   6.3826  743.700  115.681  743.700  115.681  743.700  115.681   77.956   6.3826   77.956   6.3826 0.000000 0.000000 
1 1 1   17   21    1 o   57.065   3.3086  389.270   44.392  402.500   63.093  376.300   62.471   57.683   4.6722   55.727   4.7940 1.956303 6.694146 
1 1 1   17   21    2 o   37.437   2.4433  167.007   21.481  146.000   30.383  188.000   30.373   34.763   3.7614   39.593   3.2782 -4.830139 4.989419 
1 1 1   17   21    3 o   48.971   2.9199  286.195   33.612  268.200   47.461  304.300   47.607   47.101   4.3152   50.263   4.0453 -3.161556 5.914858 
1 1 1   17   21    4 o   83.970   4.7145  850.904   93.103  847.900  131.750  853.900  131.584   82.872   6.7923   83.184   6.7573 -0.3123093 9.581034 
1 1 1   17   21    5 o   10.332   1.5672   12.915   3.7034   17.400   5.3204   8.7000   5.1581   11.967   1.9499   8.4724   2.4435 3.494582 3.126164 
1 1 1   17   21    6 o   63.786   3.6230  487.457   54.346  534.200   76.933  440.900   76.780   66.380   4.9435   60.092   5.4708 6.288677 7.373456 
1 1 1   17   21    7 o   40.424   2.5711  194.852   24.415  208.200   34.525  181.500   34.530   41.611   3.5476   38.773   3.8212 2.838139 5.214069 
1 1 1   17   21    8 o   27.979   2.0549   93.285   13.481  106.800   19.077   79.800   19.055   29.850   2.7369   25.681   3.2124 4.168701 4.220234 
1 1 1   17   21    9 o   23.898   1.9161   68.099   10.722   70.500   15.167   65.700   15.160   24.205   2.6995   23.338   2.8071 0.8672104 3.894553 
1 1 1   17   21   10 o  110.360   6.1050  1494.76  158.478  1339.90  224.019  1649.90  224.224  101.850   9.4213  114.087   8.3817 -12.23720 12.61007 
1 1 1   17   21   11 o   98.109   5.4991  1174.71  126.884  1187.70  179.360  1161.70  179.523   97.006   7.8987   95.850   8.0050 1.156006 11.24584 
1 1 1   17   21   12 o   74.888   4.2639  676.820   75.089  730.100  106.172  623.500  106.213   77.052   5.8797   70.905   6.4131 6.147652 8.700485 
1 1 1   17   21   13 o   50.375   3.0103  303.631   35.645  295.200   50.354  312.100   50.465   49.308   4.3699   50.747   4.2505 -1.438675 6.096115 
1 1 1   17   21   14 o   38.446   2.4680  176.433   22.287  184.500   31.553  168.400   31.485   39.121   3.4509   37.323   3.6179 1.798138 4.999816 
1 1 1   17   21   15 f   19.760   1.7720   46.640   8.1805   49.700   11.587   43.600   11.551   20.298   2.4683   18.959   2.6528 1.339024 3.623525 
1 1 1   17   21   16 o   48.877   3.0939  286.569   35.525  355.000   50.178  217.800   50.302   54.167   3.9502   41.959   5.1874 12.20861 6.520227 
1 1 1   17   21   17 o   75.749   4.2985  696.359   76.572  686.900  108.052  705.900  108.526   74.143   6.2294   75.209   6.1650 -1.066925 8.764317 
1 1 1   17   21   18 o   38.636   2.5470  178.621   23.106  204.300   32.632  152.800   32.722   41.130   3.3901   35.368   3.9877 5.761604 5.233974 
1 1 1   17   21   19 o   48.643   2.9549  284.190   33.780  281.200   47.694  287.200   47.851   47.952   4.2563   48.478   4.2223 -0.5255814 5.995303 
1 1 1   17   21   20 o   43.108   2.7020  223.040   27.365  220.800   38.619  225.300   38.783   42.524   3.8890   42.967   3.8638 -0.4433632 5.482067 
1 1 1   17   21   21 o   55.351   4.7931  380.200   62.029  380.200   62.029   0.0000   0.0000   55.351   4.7931  ?   ?  0.000000 4.793102 
1 1 1   17   21   22 o   26.482   2.0162   83.993   12.514  100.500   17.701   67.500   17.693   28.850   2.6271   23.429   3.2886 5.420374 4.209077 
1 1 1   17   21   23 f   8.4416   1.6730   8.7643   3.2171   5.9000   4.3860   12.100   4.7332   7.1196   2.2943   9.8884   2.0923 -2.768829 3.105115 
1 1 1   17   21   24 o   49.323   2.8880  294.358   33.490  353.300   47.440  235.800   47.285   53.607   3.7716   43.258   4.7049 10.34892 6.030038 
1 1 1   17   21   25 o   55.038   3.0922  368.312   40.025  462.800   56.690  274.400   56.517   61.174   3.9455   46.209   5.2741 14.96484 6.586561 
1 1 1   17   21   26 o   33.032   2.0899  131.026   16.217  172.800   22.996   89.700   22.873   37.790   2.5927   26.787   3.7161 11.00328 4.531204 
1 1 1   17   21   27 o   18.113   1.6410   39.386   6.9425   54.100   9.8741   25.000   9.7632   21.179   1.9980   14.091   3.0247 7.088632 3.625002 
1 1 1   17   21   28 o   17.709   1.7493   37.758   7.2194   46.500   10.205   29.000   10.214   19.558   2.2508   15.212   2.9501 4.346401 3.710652 
1 1 1   17   21   29 o   56.245   3.3058  389.035   43.713  454.400   61.873  323.900   61.765   59.897   4.4055   49.740   5.3423 10.15693 6.924471 
1 1 1   17   21   30 o   24.329   1.8294   71.125   10.433   88.400   14.852   54.300   14.658   26.993   2.3537   20.891   3.0622 6.102043 3.862263 
1 1 1   17   21   31 o   14.009   1.6720   23.743   5.4218   24.200   7.7247   23.300   7.6117   13.970   2.4299   13.699   2.4427 0.2711744 3.445478 
1 1 1   17   21   32 o   7.0266   1.7886   6.1358   2.9753   4.2000   3.8517   9.0000   4.6850   6.2064   2.1524   8.4904   2.2860 -2.284018 3.139851 
1 1 1   17   21   33 o   28.426   2.0849   97.893   13.897   93.000   19.446  103.000   19.868   27.304   3.0693   28.800   2.9637 -1.495373 4.266630 
1 1 1   17   21   34 o   8.0071   1.8221   8.0037   3.3677   7.6000   4.3611   8.6000   5.3005   7.8214   2.2442   8.3372   2.4967 -0.5157509 3.357057 
1 1 1   17   21   35 o   20.715   1.8918   52.153   9.1517   60.100   13.023   44.400   12.863   22.005   2.5538   18.690   3.0173 3.315109 3.952973 
1 1 1   17   21   36 o   14.226   2.8062   25.900   9.0919   0.0000   0.0000   25.900   9.0919  ?   ?    14.226   2.8062 0.000000 2.806181 
1 1 1   17   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   21   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22    0 o   41.135   3.8331  206.200   36.489  206.200   36.489  206.200   36.489   41.135   3.8331   41.135   3.8331 0.000000 0.000000 
1 1 1   17   22    1 o   46.850   2.8351  261.954   31.217  291.700   44.181  232.300   44.114   49.240   3.8299   43.790   4.3226 5.450157 5.775201 
1 1 1   17   22    2 o  121.257   6.6141  1809.06  188.668  2042.60  266.980  1576.10  266.653  126.760   8.9775  109.965   10.392 16.79415 13.73289 
1 1 1   17   22    3 o   61.884   3.4407  458.379   50.080  523.100   70.973  394.200   70.675   65.782   4.5979   56.824   5.3294 8.958317 7.038684 
1 1 1   17   22    4 o   78.649   4.4154  745.619   81.671  724.700  115.414  766.600  115.587   76.661   6.4351   78.953   6.2509 -2.291855 8.971336 
1 1 1   17   22    5 o   67.098   3.7738  540.240   59.550  614.300   84.279  466.400   84.154   71.125   5.0509   61.625   5.8532 9.499794 7.731222 
1 1 1   17   22    6 o   52.349   3.1178  327.648   38.366  308.000   54.256  347.300   54.261   50.373   4.6125   53.600   4.3239 -3.226322 6.322229 
1 1 1   17   22    7 o   19.781   1.7972   46.724   8.3033   49.200   11.806   44.300   11.680   20.196   2.5313   19.125   2.6581 1.070244 3.670525 
1 1 1   17   22    8 o   11.603   1.6582   16.260   4.4140   21.000   6.2357   11.500   6.2491   13.150   2.0771   9.6839   2.6539 3.466043 3.370143 
1 1 1   17   22    9 o   4.4313   1.5332   2.0873   1.9537  -0.6000   2.8106   4.6000   2.7177   3.8030   1.6595   6.1648   1.7724 -2.361811 2.428013 
1 1 1   17   22   10 o   86.230   4.8460  902.049   98.274  900.500  138.913  903.600  139.047   84.951   6.9868   85.102   6.9808 -0.1511154 9.876595 
1 1 1   17   22   11 o   51.382   3.0762  316.005   37.152  318.700   52.493  313.300   52.589   51.248   4.3798   50.794   4.4288 0.4542465 6.228761 
1 1 1   17   22   12 o   99.212   5.5847  1206.12  130.303  1271.70  184.246  1140.50  184.307  100.134   7.8551   94.377   8.3565 5.757210 11.46884 
1 1 1   17   22   13 o   33.972   2.2770  137.686   18.161  155.100   25.694  120.300   25.673   35.924   3.0579   31.510   3.5101 4.414543 4.655246 
1 1 1   17   22   14 o   36.124   2.3469  155.748   19.911  142.400   28.104  169.200   28.213   34.298   3.5199   37.487   3.2184 -3.188286 4.769462 
1 1 1   17   22   15 o   60.893   3.6660  446.964   52.469  519.400   74.118  374.200   74.286   65.173   4.8508   54.833   5.8265 10.33994 7.581401 
1 1 1   17   22   16 o   46.308   2.8639  256.975   31.163  274.200   44.038  239.700   44.103   47.529   3.9599   44.319   4.2670 3.210426 5.821336 
1 1 1   17   22   17 o   27.626   2.0702   91.174   13.407   94.400   18.891   87.900   19.030   27.960   2.9036   26.939   3.0450 1.020651 4.207467 
1 1 1   17   22   18 o   66.635   3.8963  538.806   61.041  608.500   86.290  469.000   86.359   70.073   5.2531   60.984   6.0779 9.089348 8.033469 
1 1 1   17   22   19 o   45.956   2.9044  254.043   31.356  289.100   44.286  218.800   44.404   48.694   3.8838   42.069   4.5419 6.625031 5.976049 
1 1 1   17   22   20 o   14.405   1.7454   24.999   5.8158   32.200   8.1695   17.600   8.2811   16.299   2.1771   11.878   2.9625 4.420979 3.676429 
1 1 1   17   22   21 o   62.350   3.6957  474.000   54.170  531.800   76.574  416.100   76.641   65.210   5.0112   57.131   5.7596 8.079205 7.634490 
1 1 1   17   22   22 f   50.247   3.0139  305.640   35.594  371.400   50.361  240.000   50.315   54.960   3.9060   43.570   4.9800 11.39019 6.329012 
1 1 1   17   22   23 o   19.054   1.7702   43.572   7.8738   51.500   11.155   35.700   11.116   20.616   2.3324   16.991   2.8730 3.625359 3.700562 
1 1 1   17   22   24 o   43.340   2.6334  226.828   26.822  267.300   37.990  186.600   37.875   46.689   3.4706   38.614   4.2227 8.075356 5.465950 
1 1 1   17   22   25 o   15.942   1.7063   30.602   6.3235   32.700   8.9377   28.500   8.9477   16.341   2.3867   15.186   2.5880 1.154981 3.520523 
1 1 1   17   22   26 o   40.721   2.6283  200.864   25.138  230.400   35.542  171.300   35.558   43.206   3.5141   36.895   4.1536 6.311092 5.440703 
1 1 1   17   22   27 o   40.403   2.4028  197.048   22.821  256.600   32.356  138.100   32.191   45.852   3.0049   33.024   4.2249 12.82843 5.184556 
1 1 1   17   22   28 o   12.380   1.6358   18.571   4.6649   23.300   6.6541   14.000   6.5416   13.791   2.1105   10.560   2.6326 3.231051 3.374100 
1 1 1   17   22   29 o   25.958   1.9618   81.095   11.936   92.100   16.923   70.200   16.838   27.471   2.6415   23.810   3.0661 3.660738 4.047030 
1 1 1   17   22   30 o   37.705   2.1895  171.428   19.411  227.400   27.581  116.500   27.323   43.212   2.7168   30.349   3.9030 12.86262 4.755484 
1 1 1   17   22   31 o   10.082   1.7060   12.471   3.9165   12.000   5.6700   12.900   5.4162   9.7713   2.4592   10.145   2.3124 -0.3733377 3.375647 
1 1 1   17   22   32 o   31.726   2.1694  121.977   16.155  142.400   22.888  101.700   22.805   33.969   2.8805   28.385   3.4750 5.584036 4.513606 
1 1 1   17   22   33 o   20.236   1.8745   49.635   8.8555   50.900   12.356   48.300   12.697   20.242   2.6486   19.648   2.8175 0.5945702 3.866943 
1 1 1   17   22   34 o   19.854   1.9327   47.950   8.9461   53.600   12.652   42.300   12.652   20.751   2.6418   18.245   3.0438 2.506350 4.030352 
1 1 1   17   22   35 o   17.496   2.8259   38.800   11.277   0.0000   0.0000   38.800   11.277  ?   ?    17.496   2.8259 0.000000 2.825858 
1 1 1   17   22   36 o   31.710   3.4210  129.500   25.210   0.0000   0.0000  129.500   25.210  ?   ?    31.710   3.4210 0.000000 3.420987 
1 1 1   17   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   22   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23    0 o   69.910   5.8067  598.000   94.337  598.000   94.337  598.000   94.337   69.910   5.8067   69.910   5.8067 0.000000 0.000000 
1 1 1   17   23    1 o   63.715   3.5321  486.526   52.934  408.900   74.729  564.700   74.993   57.754   5.5478   68.289   4.6788 -10.53432 7.257344 
1 1 1   17   23    2 o   47.852   2.6754  273.068   30.110  209.400   42.455  337.500   42.709   41.506   4.3987   53.056   3.4273 -11.55037 5.576307 
1 1 1   17   23    3 o   28.095   2.0612   94.080   13.579   98.000   19.254   90.200   19.154   28.550   2.8960   27.357   3.0151 1.193027 4.180602 
1 1 1   17   23    4 o   70.196   3.8710  592.116   63.917  526.600   90.198  658.200   90.588   65.428   5.9016   73.495   5.2544 -8.066597 7.901773 
1 1 1   17   23    5 o   16.328   1.6696   31.892   6.3468   26.800   8.9256   37.100   9.0267   14.794   2.6524   17.544   2.2292 -2.750001 3.464777 
1 1 1   17   23    6 o   23.155   1.9030   63.959   10.313   58.700   14.597   69.200   14.573   22.023   2.8755   23.987   2.6151 -1.963821 3.886812 
1 1 1   17   23    7 o   34.580   2.3210  142.596   18.843  136.700   26.638  148.500   26.657   33.661   3.3978   35.128   3.2504 -1.467022 4.702160 
1 1 1   17   23    8 o   10.454   1.8155   13.319   4.3191   18.700   5.9675   7.4000   6.2590   12.384   2.1166   8.1584   2.7460 4.225948 3.467057 
1 1 1   17   23    9 o   73.203   4.0705  646.033   70.084  585.700   98.977  706.700   99.251   68.779   6.1595   75.902   5.5767 -7.123344 8.308922 
1 1 1   17   23   10 o   29.294   2.0922  102.322   14.377  109.400   20.373   95.300   20.293   30.164   2.8958   28.093   3.1112 2.071209 4.250353 
1 1 1   17   23   11 o   13.201   1.6990   20.980   5.1729   21.500   7.4658   20.500   7.1742   13.237   2.4797   12.924   2.4402 0.3125877 3.479024 
1 1 1   17   23   12 f   70.436   4.0268  599.050   66.697  663.300   94.323  534.800   94.323   73.452   5.4776   65.565   6.1647 7.886925 8.246685 
1 1 1   17   23   13 o   60.705   3.5498  443.517   50.663  498.300   71.638  388.700   71.660   63.876   4.7842   56.077   5.4817 7.799004 7.275792 
1 1 1   17   23   14 o   63.410   3.7072  484.991   55.268  566.700   78.141  403.200   78.181   68.042   4.8962   56.866   5.9084 11.17562 7.673434 
1 1 1   17   23   15 o   40.146   2.5519  192.777   24.066  189.600   33.915  196.000   34.156   39.540   3.6743   40.218   3.6359 -0.6776810 5.169185 
1 1 1   17   23   16 o   5.6032   1.6545   3.7758   2.3402   3.6000   3.1259   4.0000   3.5301   5.7242   1.9405   6.0502   2.0621 -0.3260288 2.831554 
1 1 1   17   23   17 o   31.342   2.1348  117.396   15.706  106.600   22.106  128.400   22.318   29.629   3.2111   32.618   2.9288 -2.989691 4.346107 
1 1 1   17   23   18 o   65.521   3.8792  522.404   59.751  605.600   84.448  439.000   84.554   69.783   5.1614   58.706   6.1929 11.07766 8.061790 
1 1 1   17   23   19 o   49.470   3.0647  295.432   35.624  310.700   50.247  280.000   50.515   50.226   4.2773   47.531   4.5565 2.694942 6.249594 
1 1 1   17   23   20 o   21.792   1.8261   56.866   9.3100   71.400   13.205   42.500   13.128   24.340   2.3257   18.541   3.1086 5.798908 3.882298 
1 1 1   17   23   21 f   32.797   2.2331  129.103   17.192  121.900   24.235  136.400   24.392   31.561   3.3006   33.462   3.1230 -1.900928 4.543925 
1 1 1   17   23   22 o   39.429   2.6074  187.528   24.139  208.300   34.074  166.600   34.201   41.209   3.5359   36.619   4.0215 4.590267 5.354904 
1 1 1   17   23   23 o   39.288   2.5171  186.161   23.229  231.200   32.865  141.200   32.836   43.521   3.2208   33.531   4.2420 9.990120 5.326200 
1 1 1   17   23   24 o   40.616   2.6460  199.600   25.239  203.600   35.477  195.500   35.913   40.539   3.7485   39.649   3.8857 0.8893700 5.399083 
1 1 1   17   23   25 o   22.237   1.8703   59.427   9.7295   77.100   13.769   41.800   13.751   25.236   2.3371   18.247   3.3133 6.988638 4.054622 
1 1 1   17   23   26 o   52.338   3.1183  334.706   38.364  372.000   54.324  297.600   54.187   54.410   4.2622   48.229   4.8226 6.180553 6.436138 
1 1 1   17   23   27 o   11.775   1.5583   16.785   4.2264   27.300   6.0253   6.6000   5.9299   15.034   1.7287   7.7327   2.6713 7.300947 3.181893 
1 1 1   17   23   28 o   26.457   2.0025   84.269   12.418   99.100   17.579   69.500   17.543   28.510   2.6412   23.639   3.2271 4.871454 4.170146 
1 1 1   17   23   29 o   66.615   3.9610  555.834   62.026  583.800   87.744  527.900   87.693   66.357   5.6537   62.660   6.0000 3.696342 8.244013 
1 1 1   17   23   30 f   37.548   2.1481  170.105   18.967  235.000   26.948  106.400   26.700   43.937   2.6091   28.859   4.0277 15.07755 4.798888 
1 1 1   17   23   31 o   12.890   1.6781   20.190   4.9868   22.000   7.0728   18.400   7.0321   13.304   2.3366   12.093   2.5431 1.210996 3.453569 
1 1 1   17   23   32 o   36.250   2.2734  159.779   19.361  201.000   27.472  119.100   27.291   40.316   2.9052   30.429   3.8869 9.886646 4.852661 
1 1 1   17   23   33 o   16.481   1.8005   33.008   6.8932   34.300   9.9153   31.800   9.5897   16.554   2.6240   15.921   2.6436 0.6334972 3.724792 
1 1 1   17   23   34 o   9.7876   2.5759   12.200   6.0345   0.0000   0.0000   12.200   6.0345  ?   ?    9.7876   2.5759 0.000000 2.575912 
1 1 1   17   23   35 o   40.121   4.0522  212.600   37.865   0.0000   0.0000  212.600   37.865  ?   ?    40.121   4.0522 0.000000 4.052207 
1 1 1   17   23   36 o   19.459   2.8072   48.000   12.526   0.0000   0.0000   48.000   12.526  ?   ?    19.459   2.8072 0.000000 2.807225 
1 1 1   17   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   23   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24    0 o   22.119   2.8013   60.700   13.992   60.700   13.992   60.700   13.992   22.119   2.8013   22.119   2.8013 0.000000 0.000000 
1 1 1   17   24    1 o   12.516   1.6334   18.858   4.7123   12.900   6.5882   25.100   6.7428   10.231   2.6910   14.409   2.0387 -4.177993 3.376072 
1 1 1   17   24    2 o   67.325   3.6075  543.895   57.143  629.200   81.128  459.900   80.502   71.994   4.7996   61.175   5.6362 10.81918 7.402877 
1 1 1   17   24    3 o   77.067   4.3492  717.310   78.825  699.400  111.350  735.300  111.601   75.165   6.3326   77.167   6.1764 -2.001984 8.845838 
1 1 1   17   24    4 o   37.222   2.4330  165.298   21.267  161.500   30.071  169.100   30.083   36.581   3.5248   37.458   3.4394 -0.8768921 4.924818 
1 1 1   17   24    5 o  114.411   6.4228  1618.58  172.820  1567.90  244.356  1669.30  244.454  109.698   9.5279  113.569   9.1943 -3.870583 13.24067 
1 1 1   17   24    6 o   54.791   3.1486  359.422   40.566  408.100   57.474  311.100   57.264   58.086   4.2190   50.469   4.8653 7.617550 6.439831 
1 1 1   17   24    7 o   20.411   1.8159   49.754   8.6610   48.200   12.266   51.300   12.231   19.953   2.6703   20.614   2.5685 -0.6601982 3.705037 
1 1 1   17   24    8 f   38.266   2.4720  174.788   22.217  168.400   31.391  181.200   31.450   37.326   3.6064   38.762   3.4727 -1.436169 5.006578 
1 1 1   17   24    9 f   42.110   2.6504  211.900   26.220  203.000   37.081  220.800   37.081   40.931   3.8830   42.748   3.7102 -1.817223 5.370619 
1 1 1   17   24   10 o   19.510   1.6648   45.418   7.5963   58.300   10.888   33.200   10.604   22.061   2.1160   16.463   2.8297 5.598822 3.533306 
1 1 1   17   24   11 o   19.190   1.7290   43.996   7.7509   53.200   11.056   35.100   10.869   21.040   2.2608   16.937   2.8165 4.102531 3.611667 
1 1 1   17   24   12 o   35.400   2.3420  149.668   19.466  160.200   27.571  139.200   27.488   36.446   3.2374   33.895   3.4839 2.550514 4.755851 
1 1 1   17   24   13 o   45.941   2.9411  253.161   31.738  283.000   44.765  223.000   45.006   48.287   3.9608   42.638   4.5399 5.649307 6.024833 
1 1 1   17   24   14 o   27.031   2.0967   87.345   13.278   97.900   18.695   76.600   18.863   28.494   2.8153   25.073   3.2633 3.421167 4.309865 
1 1 1   17   24   15 o   66.066   3.8100  529.046   59.186  521.800   83.392  536.400   84.015   64.711   5.5099   65.640   5.4702 -0.9292068 7.764112 
1 1 1   17   24   16 o   24.724   1.9544   73.097   11.318   72.900   15.903   73.300   16.110   24.530   2.7953   24.591   2.8256 -0.6145668E-01 3.974694 
1 1 1   17   24   17 o   23.947   1.9124   68.602   10.724   65.900   15.035   71.400   15.300   23.295   2.7887   24.277   2.7154 -0.9820385 3.892344 
1 1 1   17   24   18 f   59.257   3.5600  426.737   49.582  460.600   70.030  392.700   70.210   60.801   4.9198   55.820   5.3937 4.980858 7.300485 
1 1 1   17   24   19 o   41.972   2.7295  212.348   26.905  233.800   37.964  190.700   38.136   43.679   3.7161   39.225   4.1818 4.453915 5.594337 
1 1 1   17   24   20 o   53.536   3.2648  348.364   41.076  391.700   58.048  304.900   58.133   56.131   4.4151   49.078   5.0902 7.052937 6.738164 
1 1 1   17   24   21 o   21.657   1.8998   56.310   9.6172   58.900   13.450   53.600   13.757   21.988   2.6434   20.905   2.8621 1.083286 3.896028 
1 1 1   17   24   22 o   2.3961   1.0718  -0.5564   1.2446   5.0000   1.8138  -5.5000   1.7109   6.3849   1.2478   1.7598   0.8870 4.625052 1.530931 
1 1 1   17   24   23 o   24.549   1.9069   72.338   10.967   84.000   15.551   60.800   15.469   26.309   2.5345   22.206   3.0291 4.103813 3.949587 
1 1 1   17   24   24 o   47.326   2.9030  272.310   32.286  293.900   45.702  250.800   45.616   48.544   4.0232   44.596   4.3886 3.947269 5.953614 
1 1 1   17   24   25 o   54.734   3.3234  367.472   42.750  391.900   60.431  343.000   60.485   55.558   4.6491   51.658   5.0220 3.900097 6.843534 
1 1 1   17   24   26 o   52.203   3.1531  333.622   38.686  389.500   54.724  277.800   54.697   55.679   4.1930   46.325   5.0837 9.353912 6.589736 
1 1 1   17   24   27 o   28.058   2.0935   94.866   13.771  104.700   19.458   85.000   19.491   29.240   2.8546   26.189   3.2196 3.051378 4.302810 
1 1 1   17   24   28 o   48.421   2.8133  285.659   32.029  339.500   45.441  232.500   45.152   52.221   3.7092   42.608   4.5584 9.612671 5.876810 
1 1 1   17   24   29 o   43.257   2.5974  227.616   26.409  283.000   37.410  172.600   37.285   47.808   3.3347   36.647   4.3964 11.16083 5.518009 
1 1 1   17   24   30 o   13.140   1.6448   20.942   4.9917   24.200   7.1245   17.800   6.9960   14.001   2.2298   11.889   2.5671 2.111531 3.400294 
1 1 1   17   24   31 o   28.221   2.0231   96.383   13.392  113.600   19.005   79.400   18.875   30.382   2.6763   25.108   3.2606 5.274391 4.218289 
1 1 1   17   24   32 o   29.449   1.9892  105.003   13.751  123.600   19.808   87.700   19.106   31.655   2.6750   26.419   3.1230 5.235336 4.112018 
1 1 1   17   24   33 o   17.976   2.7670   40.700   11.368   0.0000   0.0000   40.700   11.368  ?   ?    17.976   2.7670 0.000000 2.766990 
1 1 1   17   24   34 o   26.440   3.1518   88.900   19.291   0.0000   0.0000   88.900   19.291  ?   ?    26.440   3.1518 0.000000 3.151817 
1 1 1   17   24   35 o   27.686   3.2145   98.000   20.625   0.0000   0.0000   98.000   20.625  ?   ?    27.686   3.2145 0.000000 3.214524 
1 1 1   17   24   36 o   23.029   2.9442   67.400   15.644   0.0000   0.0000   67.400   15.644  ?   ?    23.029   2.9442 0.000000 2.944211 
1 1 1   17   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   24   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25    0 o   59.742   5.0836  436.300   70.520  436.300   70.520  436.300   70.520   59.742   5.0836   59.742   5.0836 0.000000 0.000000 
1 1 1   17   25    1 o   36.338   2.3584  157.512   20.127  174.700   28.580  140.600   28.350   38.120   3.2048   34.089   3.5751 4.030552 4.801267 
1 1 1   17   25    2 o   50.907   2.9955  310.066   35.851  263.500   50.655  356.800   50.746   46.461   4.6809   54.357   3.9812 -7.896427 6.144981 
1 1 1   17   25    3 o   48.038   2.9213  276.050   32.980  271.100   46.641  281.000   46.641   47.271   4.2229   48.156   4.1419 -0.8855515 5.915039 
1 1 1   17   25    4 f   38.778   2.4816  179.496   22.605  158.400   31.927  200.700   32.008   36.144   3.7976   40.838   3.3487 -4.694332 5.063103 
1 1 1   17   25    5 o   53.432   3.1803  342.203   39.945  340.400   56.534  344.000   56.448   52.874   4.5730   53.166   4.5397 -0.2920723 6.443707 
1 1 1   17   25    6 o   76.397   4.3627  706.783   78.376  682.000  110.915  731.500  110.767   73.982   6.4124   76.788   6.1606 -2.806412 8.892271 
1 1 1   17   25    7 o   84.603   4.7158  870.479   93.836  944.300  132.814  796.900  132.595   87.001   6.5120   79.457   7.1433 7.544266 9.666088 
1 1 1   17   25    8 o   48.003   2.8956  275.898   32.668  254.000   46.146  297.900   46.255   45.656   4.3322   49.588   3.9838 -3.931973 5.885483 
1 1 1   17   25    9 o   82.047   4.6463  819.344   89.649  774.600  126.774  864.100  126.791   78.358   6.9227   83.087   6.5146 -4.728828 9.505946 
1 1 1   17   25   10 o   20.373   1.7779   49.581   8.4672   39.800   11.932   59.500   12.017   18.040   2.8993   22.251   2.3213 -4.210440 3.714048 
1 1 1   17   25   11 o   26.987   1.9938   86.928   12.616   78.800   17.763   95.200   17.920   25.505   3.0073   28.121   2.7332 -2.616749 4.063758 
1 1 1   17   25   12 o   85.383   4.8472  893.338   97.326  864.000  137.611  922.700  137.667   82.229   7.1585   85.218   6.9005 -2.988441 9.942890 
1 1 1   17   25   13 o   25.917   1.9580   80.240   11.895   70.400   16.688   90.400   16.958   24.068   3.0017   27.392   2.6550 -3.324730 4.007396 
1 1 1   17   25   14 o   24.158   2.0385   69.878   11.520   80.800   16.163   58.600   16.424   25.868   2.6853   21.849   3.2850 4.018263 4.242845 
1 1 1   17   25   15 o   54.444   3.2668  358.021   41.805  362.300   58.974  353.700   59.268   54.152   4.6573   53.456   4.7446 0.6953354 6.648402 
1 1 1   17   25   16 o   37.819   2.5339  171.746   22.497  205.300   31.771  138.000   31.862   41.135   3.2985   33.403   4.1272 7.731907 5.283345 
1 1 1   17   25   17 o   34.064   2.3942  139.345   19.136  152.900   26.920  125.500   27.207   35.447   3.2525   31.952   3.6728 3.495089 4.905870 
1 1 1   17   25   18 o   65.728   3.8885  529.709   60.085  552.500   84.863  506.800   85.082   65.938   5.5006   62.895   5.7939 3.042404 7.989064 
1 1 1   17   25   19 o   54.157   3.2602  356.507   41.499  373.000   58.675  340.000   58.702   54.649   4.5894   52.005   4.8355 2.643227 6.666696 
1 1 1   17   25   20 o   39.589   2.6144  189.132   24.302  230.500   34.335  147.600   34.403   43.421   3.3752   34.287   4.3468 9.134384 5.503338 
1 1 1   17   25   21 o   35.402   2.4460  151.150   20.322  188.600   28.701  113.500   28.778   39.318   3.1169   30.033   4.1704 9.285028 5.206481 
1 1 1   17   25   22 o   55.959   3.4040  383.659   44.766  410.900   63.242  356.300   63.377   56.966   4.7445   52.703   5.1587 4.262787 7.008744 
1 1 1   17   25   23 o   23.515   1.9200   66.454   10.568   67.800   14.926   65.100   14.965   23.546   2.7356   23.045   2.8082 0.5008049 3.920339 
1 1 1   17   25   24 o   61.267   3.6619  463.563   52.736  480.300   74.550  446.800   74.609   61.013   5.2249   58.617   5.4528 2.395992 7.551987 
1 1 1   17   25   25 o   33.677   2.2708  136.795   17.953  161.000   25.418  112.700   25.360   36.276   2.9940   30.045   3.6495 6.231190 4.720435 
1 1 1   17   25   26 o   19.225   1.7296   44.434   7.7677   56.900   11.015   32.100   10.956   21.671   2.1821   16.000   3.0103 5.671152 3.717937 
1 1 1   17   25   27 o   21.359   1.8995   54.972   9.4804   63.300   13.351   46.500   13.465   22.765   2.5261   19.313   3.0541 3.452496 3.963422 
1 1 1   17   25   28 o   7.5997   1.7129   7.1669   3.0004   8.5000   4.2983   5.9000   4.1902   8.2597   2.1741   7.0531   2.2393 1.206633 3.121095 
1 1 1   17   25   29 o   16.434   1.6879   32.613   6.4572   41.500   9.1509   23.800   9.1130   18.447   2.1405   13.706   2.9059 4.741396 3.609186 
1 1 1   17   25   30 o   22.662   1.8318   61.997   9.7188   74.400   13.803   49.800   13.687   24.655   2.4012   19.916   3.0037 4.738876 3.845509 
1 1 1   17   25   31 o   9.1282   1.8490   10.361   3.8489   9.4000   5.8371   11.100   5.1197   8.7118   2.6225   9.3831   2.3230 -0.6713600 3.503425 
1 1 1   17   25   32 o   33.334   3.4777  141.700   26.971   0.0000   0.0000  141.700   26.971  ?   ?    33.334   3.4777 0.000000 3.477652 
1 1 1   17   25   33 o   24.583   3.0128   76.400   17.123   0.0000   0.0000   76.400   17.123  ?   ?    24.583   3.0128 0.000000 3.012819 
1 1 1   17   25   34 o   11.611   2.8167   17.400   7.6435   0.0000   0.0000   17.400   7.6435  ?   ?    11.611   2.8167 0.000000 2.816672 
1 1 1   17   25   35 o   27.085   3.1402   93.600   19.712   0.0000   0.0000   93.600   19.712  ?   ?    27.085   3.1402 0.000000 3.140222 
1 1 1   17   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   25   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26    0 o   34.527   3.4135  145.800   27.206  145.800   27.206  145.800   27.206   34.527   3.4135   34.527   3.4135 0.000000 0.000000 
1 1 1   17   26    1 f   30.168   2.1600  108.618   15.286   96.900   21.634  120.300   21.601   28.274   3.3025   31.623   2.9259 -3.348633 4.412168 
1 1 1   17   26    2 o   38.137   2.4716  173.726   22.138  152.100   31.291  195.400   31.326   35.383   3.8049   40.275   3.3235 -4.891964 5.052032 
1 1 1   17   26    3 o  114.186   5.3629  1594.77  144.602  1993.60  205.778  1205.70  203.243  126.046   6.9404   95.935   9.0798 30.11178 11.42855 
1 1 1   17   26    4 o  122.317   6.9475  1879.03  199.840  1838.00  282.534  1920.10  282.698  116.837   10.348  119.789   10.088 -2.952110 14.45138 
1 1 1   17   26    5 o   50.136   3.0138  301.277   35.515  326.900   50.248  275.700   50.203   51.899   4.1344   47.503   4.5305 4.396145 6.133385 
1 1 1   17   26    6 o   96.448   5.4384  1143.97  123.354  1197.00  174.500  1091.00  174.397   96.767   7.7004   91.981   8.1124 4.786591 11.18517 
1 1 1   17   26    7 o   57.220   3.3833  393.771   45.510  417.400   64.334  370.100   64.389   58.431   4.7024   54.866   5.0258 3.565525 6.882708 
1 1 1   17   26    8 o  103.344   5.8584  1324.30  142.375  1319.70  201.265  1328.90  201.432  100.502   8.5624  100.883   8.5358 -0.3814087 12.09021 
1 1 1   17   26    9 o   68.155   3.8608  561.977   61.879  606.900   87.631  517.300   87.390   70.084   5.3352   64.410   5.8083 5.673668 7.886734 
1 1 1   17   26   10 o   51.895   3.1092  323.790   37.926  327.300   53.711  320.300   53.560   51.700   4.4428   51.124   4.4818 0.5753593 6.310699 
1 1 1   17   26   11 o   76.807   4.4029  720.509   79.522  745.100  112.441  695.900  112.483   76.839   6.2512   74.056   6.4980 2.783562 9.016683 
1 1 1   17   26   12 o   66.180   3.8711  532.047   60.231  550.600   85.071  513.400   85.288   66.415   5.4732   63.970   5.7060 2.444836 7.906640 
1 1 1   17   26   13 o   34.635   2.3481  143.700   19.091  143.800   26.952  143.600   27.046   34.392   3.3617   34.363   3.3767 0.2827072E-01 4.764810 
1 1 1   17   26   14 o   43.382   2.7491  226.337   28.016  232.400   39.502  220.200   39.740   43.574   3.8797   42.351   4.0220 1.223404 5.588270 
1 1 1   17   26   15 o   31.169   2.3129  116.607   16.902  135.800   23.776   97.000   24.031   33.462   3.0423   28.036   3.7219 5.425720 4.807118 
1 1 1   17   26   16 o   38.239   2.4951  175.797   22.407  175.500   31.537  176.100   31.840   37.856   3.5702   37.910   3.6000 -0.5381012E-01 5.070130 
1 1 1   17   26   17 o   88.369   5.3386  987.680  110.879  1109.10  156.594  865.600  157.020   91.033   7.3473   78.735   8.5845 12.29812 11.29944 
1 1 1   17   26   18 o   23.305   1.8801   65.107   10.259   80.600   14.528   49.700   14.488   25.832   2.4095   20.039   3.1669 5.792652 3.979313 
1 1 1   17   26   19 o   36.031   2.4516  156.428   20.735  163.200   29.158  149.500   29.491   36.464   3.4265   34.802   3.6425 1.662346 5.000883 
1 1 1   17   26   20 o   33.507   2.3731  135.313   18.655  152.600   26.297  117.800   26.468   35.315   3.1878   30.795   3.7148 4.519945 4.895118 
1 1 1   17   26   21 o   40.944   2.5569  202.527   24.597  185.700   34.660  219.600   34.912   38.647   3.8492   42.215   3.5348 -3.567875 5.226003 
1 1 1   17   26   22 o   44.786   2.8719  243.747   30.212  267.900   42.641  219.400   42.811   46.403   3.9285   41.684   4.4167 4.719097 5.911011 
1 1 1   17   26   23 o   51.990   3.1301  330.103   38.248  363.800   54.129  296.500   54.054   53.817   4.2952   48.187   4.8149 5.629814 6.452279 
1 1 1   17   26   24 o   31.627   2.2326  120.606   16.567  127.100   23.418  114.100   23.440   32.160   3.1231   30.378   3.3218 1.781815 4.559402 
1 1 1   17   26   25 o   10.947   1.6317   14.584   4.0892   20.300   5.9603   9.5000   5.6206   12.872   2.0280   8.7813   2.5559 4.090891 3.262758 
1 1 1   17   26   26 o   20.201   1.8070   49.117   8.5289   59.400   12.081   38.900   12.042   22.096   2.3516   17.649   2.9967 4.446684 3.809241 
1 1 1   17   26   27 o   42.020   2.6959  215.207   26.608  228.000   37.619  202.400   37.640   42.629   3.7762   39.978   4.0428 2.651382 5.532097 
1 1 1   17   26   28 o   21.572   1.8291   56.124   9.2296   71.200   13.086   41.200   13.020   24.172   2.3211   18.058   3.1689 6.113958 3.928023 
1 1 1   17   26   29 o   36.040   2.1946  157.413   18.588  206.800   26.406  108.900   26.171   41.042   2.7404   29.132   3.9025 11.91026 4.768597 
1 1 1   17   26   30 o   27.471   1.9945   91.382   12.850  107.400   18.299   75.800   18.048   29.522   2.6533   24.528   3.1917 4.993729 4.150527 
1 1 1   17   26   31 o   18.392   2.5967   42.200   10.964   0.0000   0.0000   42.200   10.964  ?   ?    18.392   2.5967 0.000000 2.596697 
1 1 1   17   26   32 o   10.125   2.7313   13.100   6.6806   0.0000   0.0000   13.100   6.6806  ?   ?    10.125   2.7313 0.000000 2.731308 
1 1 1   17   26   33 o   18.235   2.7454   42.000   11.455   0.0000   0.0000   42.000   11.455  ?   ?    18.235   2.7454 0.000000 2.745438 
1 1 1   17   26   34 o  ?   ?  -20.6000   1.3353   0.0000   0.0000 -20.6000   1.3353  ?   ?   ?   ?  0.000000      ? 
1 1 1   17   26   35 o   17.937   2.8509   41.100   11.671   0.0000   0.0000   41.100   11.671  ?   ?    17.937   2.8509 0.000000 2.850916 
1 1 1   17   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   26   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27    0 o   4.9676   2.4892   4.3000   3.5755   4.3000   3.5755   4.3000   3.5755   4.9676   2.4892   4.9676   2.4892 0.000000 0.000000 
1 1 1   17   27    1 o   40.315   2.5672  194.374   24.312  185.300   34.332  203.500   34.433   39.071   3.7680   41.010   3.5919 -1.938843 5.205670 
1 1 1   17   27    2 o   84.398   4.8944  871.190   97.123  767.400  137.512  974.500  137.194   77.311   7.6321   88.018   6.6499 -10.70789 10.12279 
1 1 1   17   27    3 o   73.088   4.0105  646.590   68.952  704.100   98.129  590.500   96.909   75.451   5.5466   68.782   6.0274 6.668144 8.191101 
1 1 1   17   27    4 o   16.405   1.7360   32.262   6.6226   31.700   9.4675   32.800   9.2673   16.115   2.5746   16.419   2.4664 -0.3042183 3.565348 
1 1 1   17   27    5 o   49.200   2.8637  290.156   33.126  234.600   46.745  346.200   46.950   43.689   4.6003   53.485   3.7410 -9.795837 5.929385 
1 1 1   17   27    6 o   47.095   2.8802  266.093   31.876  270.900   45.115  261.300   45.046   47.146   4.0931   46.270   4.1675 0.8751907 5.841310 
1 1 1   17   27    7 o   36.009   2.2780  154.939   19.270  179.400   27.372  130.900   27.135   38.591   3.0280   32.792   3.5615 5.798866 4.674676 
1 1 1   17   27    8 o   50.678   3.0708  308.918   36.575  274.200   51.738  343.600   51.712   47.145   4.7104   53.061   4.1605 -5.915325 6.284752 
1 1 1   17   27    9 o   44.197   2.7559  234.450   28.618  234.800   40.481  234.100   40.464   43.858   3.9512   43.790   3.9559 0.6756592E-01 5.591168 
1 1 1   17   27   10 o   22.893   1.8538   62.653   9.9352   53.000   13.981   72.500   14.121   20.837   2.9218   24.528   2.4717 -3.690737 3.827023 
1 1 1   17   27   11 o   51.189   2.9377  315.341   35.361  275.700   49.755  355.800   50.266   47.242   4.5151   53.973   3.9719 -6.731609 6.013475 
1 1 1   17   27   12 o   37.997   2.5262  173.325   22.537  183.600   31.759  162.900   31.988   38.824   3.5018   36.463   3.7696 2.361477 5.145156 
1 1 1   17   27   13 o   11.772   1.7282   16.809   4.6611   11.600   6.3980   22.700   6.8044   9.6956   2.6965   13.632   2.1878 -3.936286 3.472445 
1 1 1   17   27   14 o   7.5108   1.8823   6.9753   3.3317   8.6000   4.8294   5.5000   4.6021   8.3671   2.3484   7.0051   2.3546 1.361990 3.325521 
1 1 1   17   27   15 o   41.611   2.6656  208.654   26.055  218.100   36.839  199.200   36.854   42.142   3.7408   40.179   3.9349 1.963112 5.429328 
1 1 1   17   27   16 o   41.525   2.6084  207.766   25.447  192.000   35.893  223.700   36.083   39.421   3.9074   42.709   3.6117 -3.288956 5.320858 
1 1 1   17   27   17 o   26.451   2.0496   83.990   12.702   87.900   17.873   80.000   18.055   26.859   2.8621   25.555   3.0524 1.303883 4.184314 
1 1 1   17   27   18 o   87.245   4.9840  962.828  102.252  903.600  144.217  1022.70  144.999   81.018   7.6282   87.000   7.1204 -5.982185 10.43501 
1 1 1   17   27   19 f   8.2065   1.7605   8.3251   3.3094   7.9000   4.3647   8.9000   5.0756   8.0057   2.2275   8.5020   2.4149 -0.4963074 3.285347 
1 1 1   17   27   20 o   14.544   1.6911   25.518   5.6995   21.600   8.0276   29.500   8.0935   13.160   2.6745   15.531   2.2742 -2.371826 3.510703 
1 1 1   17   27   21 o   15.499   1.8014   29.018   6.4698   37.200   9.0590   20.500   9.2432   17.479   2.2469   12.743   3.1011 4.735203 3.829540 
1 1 1   17   27   22 o   65.713   3.9189  536.331   60.535  567.800   85.567  504.800   85.651   66.037   5.5384   61.822   5.9403 4.215443 8.121634 
1 1 1   17   27   23 o   37.461   2.4821  169.711   21.832  187.700   30.865  151.700   30.884   39.020   3.3834   34.849   3.8154 4.170387 5.099413 
1 1 1   17   27   24 o   33.451   2.2599  135.013   17.746  156.600   25.148  113.600   25.047   35.753   3.0066   30.176   3.5852 5.577105 4.679016 
1 1 1   17   27   25 o   34.206   2.3041  141.359   18.503  152.100   26.217  130.700   26.117   35.129   3.1954   32.424   3.4648 2.704811 4.713298 
1 1 1   17   27   26 o   31.007   2.2215  116.275   16.158  139.200   22.839   93.300   22.864   33.672   2.9007   27.204   3.6514 6.467714 4.663350 
1 1 1   17   27   27 o   44.571   2.8030  243.359   29.351  259.900   41.560  226.900   41.457   45.299   3.9240   42.080   4.2295 3.219334 5.769461 
1 1 1   17   27   28 f   42.119   2.6412  217.125   26.136  237.500   37.077  197.000   36.849   43.376   3.6539   39.204   4.0382 4.172272 5.445933 
1 1 1   17   27   29 o   41.341   3.9694  219.500   38.273   0.0000   0.0000  219.500   38.273  ?   ?    41.341   3.9694 0.000000 3.969357 
1 1 1   17   27   30 o   10.108   2.6790   13.000   6.4973   0.0000   0.0000   13.000   6.4973  ?   ?    10.108   2.6790 0.000000 2.678967 
1 1 1   17   27   31 o   30.731   3.3131  120.100   23.662   0.0000   0.0000  120.100   23.662  ?   ?    30.731   3.3131 0.000000 3.313091 
1 1 1   17   27   32 o   34.362   3.6180  152.600   28.915   0.0000   0.0000  152.600   28.915  ?   ?    34.362   3.6180 0.000000 3.617986 
1 1 1   17   27   33 o   28.419   3.2694  103.300   21.540   0.0000   0.0000  103.300   21.540  ?   ?    28.419   3.2694 0.000000 3.269366 
1 1 1   17   27   34 o   21.320   2.8966   57.800   14.205   0.0000   0.0000   57.800   14.205  ?   ?    21.320   2.8966 0.000000 2.896600 
1 1 1   17   27   35 o   13.078   2.6681   22.000   7.9605   0.0000   0.0000   22.000   7.9605  ?   ?    13.078   2.6681 0.000000 2.668119 
1 1 1   17   27   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   27   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28    0 o   49.943   4.4047  305.700   51.017  305.700   51.017  305.700   51.017   49.943   4.4047   49.943   4.4047 0.000000 0.000000 
1 1 1   17   28    1 o   20.506   1.8147   50.290   8.6963   45.200   12.228   55.500   12.370   19.259   2.7682   21.435   2.4903 -2.176054 3.723564 
1 1 1   17   28    2 o   57.180   3.3775  394.394   45.401  357.600   64.202  431.200   64.213   53.700   5.1252   59.262   4.6252 -5.561771 6.903689 
1 1 1   17   28    3 o   37.654   2.4626  169.751   21.776  173.100   30.793  166.400   30.799   37.765   3.4925   36.999   3.5695 0.7662964 4.993874 
1 1 1   17   28    4 o   39.743   2.5563  189.257   23.863  175.600   33.756  202.900   33.739   37.932   3.8207   40.893   3.5286 -2.961132 5.200818 
1 1 1   17   28    5 o   25.997   1.9746   80.775   12.031   87.100   17.118   74.600   16.913   26.857   2.7374   24.788   2.9472 2.068975 4.022385 
1 1 1   17   28    6 o   16.639   1.7240   33.204   6.6754   40.200   9.5429   26.500   9.3411   18.235   2.2650   14.645   2.8032 3.589380 3.603927 
1 1 1   17   28    7 o   49.226   2.9952  291.751   34.650  292.500   48.971  291.000   49.035   48.798   4.2936   48.663   4.3119 0.1343422 6.085004 
1 1 1   17   28    8 o   44.731   2.7593  240.467   29.003  225.100   40.973  255.900   41.060   42.819   4.1025   45.784   3.8332 -2.965595 5.614591 
1 1 1   17   28    9 o   18.941   1.7965   42.999   7.9391   42.600   11.216   43.400   11.239   18.699   2.6115   18.882   2.5889 -0.1830101 3.677253 
1 1 1   17   28   10 o   41.179   2.4849  203.443   24.050  170.600   33.781  237.200   34.247   37.256   3.8975   44.217   3.3039 -6.961590 5.109436 
1 1 1   17   28   11 o   24.676   1.8582   72.829   10.748   53.700   14.932   93.400   15.484   20.893   3.1223   27.859   2.3764 -6.965809 3.923760 
1 1 1   17   28   12 o   15.625   1.8039   29.415   6.5335   30.400   9.1700   28.400   9.3110   15.738   2.5551   15.169   2.6983 0.5691395 3.716132 
1 1 1   17   28   13 o   23.467   1.9843   66.072   10.893   78.800   15.332   53.100   15.478   25.513   2.5804   20.716   3.2727 4.796381 4.167616 
1 1 1   17   28   14 o   19.298   1.8503   44.734   8.3285   47.200   11.590   42.100   11.976   19.682   2.5540   18.503   2.8310 1.178585 3.812796 
1 1 1   17   28   15 o   75.290   4.4573  705.359   78.893  755.800  111.451  654.700  111.692   76.106   6.2570   70.185   6.8257 5.921249 9.259602 
1 1 1   17   28   16 o   16.475   1.7778   32.686   6.8066   40.500   9.5738   24.700   9.6789   18.260   2.2693   14.037   3.0103 4.222475 3.769876 
1 1 1   17   28   17 o   39.573   2.5532  189.011   23.732  186.200   33.337  191.900   33.791   38.828   3.6799   39.426   3.6719 -0.5980530 5.198454 
1 1 1   17   28   18 o   16.981   1.8580   34.787   7.3286   41.100   10.182   28.000   10.557   18.354   2.4073   14.932   3.0956 3.421625 3.921473 
1 1 1   17   28   19 o   39.959   2.5550  192.934   23.983  185.700   33.765  200.300   34.070   38.700   3.7415   40.263   3.6222 -1.562885 5.207642 
1 1 1   17   28   20 f   17.710   1.8031   37.775   7.4355   40.900   10.395   34.500   10.640   18.286   2.4707   16.684   2.7999 1.601641 3.734078 
1 1 1   17   28   21 o   30.963   2.2017  115.497   15.993  115.200   22.498  115.800   22.738   30.606   3.1584   30.676   3.1854 -0.7001114E-01 4.485813 
1 1 1   17   28   22 o   23.673   1.9237   67.392   10.660   69.200   15.109   65.600   15.043   23.773   2.7418   23.117   2.8137 0.6562901 3.928682 
1 1 1   17   28   23 o   24.467   1.9163   71.985   10.983   82.300   15.701   62.100   15.370   25.986   2.5933   22.420   2.9768 3.565290 3.947976 
1 1 1   17   28   24 o   18.972   1.8038   43.371   7.9839   49.200   11.270   37.500   11.311   20.063   2.4283   17.358   2.8592 2.705240 3.751242 
1 1 1   17   28   25 o   26.649   2.0367   85.701   12.720   86.700   17.981   84.700   17.996   26.509   2.9209   26.182   2.9629 0.3269615 4.160620 
1 1 1   17   28   26 o   15.131   1.7658   27.750   6.1905   39.300   8.7175   16.000   8.7924   17.961   2.0948   11.238   3.1737 6.722792 3.802702 
1 1 1   17   28   27 f   21.446   1.8671   55.597   9.3609   58.000   13.248   53.200   13.229   21.663   2.6447   20.688   2.7782 0.9754581 3.835757 
1 1 1   17   28   28 f   43.786   4.1511  247.700   42.408   0.0000   0.0000  247.700   42.408  ?   ?    43.786   4.1511 0.000000 4.151090 
1 1 1   17   28   29 o   27.923   3.0613   97.900   19.854   0.0000   0.0000   97.900   19.854  ?   ?    27.923   3.0613 0.000000 3.061292 
1 1 1   17   28   30 o   37.754   3.7498  184.000   32.988   0.0000   0.0000  184.000   32.988  ?   ?    37.754   3.7498 0.000000 3.749797 
1 1 1   17   28   31 o   26.227   3.0952   87.200   18.800   0.0000   0.0000   87.200   18.800  ?   ?    26.227   3.0952 0.000000 3.095175 
1 1 1   17   28   32 o   19.134   2.8084   46.300   12.311   0.0000   0.0000   46.300   12.311  ?   ?    19.134   2.8084 0.000000 2.808381 
1 1 1   17   28   33 o   8.7884   2.8479   9.5000   6.7507   0.0000   0.0000   9.5000   6.7507  ?   ?    8.7884   2.8479 0.000000 2.847857 
1 1 1   17   28   34 o   20.108   2.8709   51.600   13.245   0.0000   0.0000   51.600   13.245  ?   ?    20.108   2.8709 0.000000 2.870882 
1 1 1   17   28   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   28   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29    0 o   7.6507   2.8997   9.4000   4.9172   9.4000   4.9172   9.4000   4.9172   7.6507   2.8997   7.6507   2.8997 0.000000 0.000000 
1 1 1   17   29    1 o   50.889   3.0767  312.200   36.799  311.200   52.038  313.200   52.044   50.260   4.4300   50.429   4.4149 -0.1695061 6.254286 
1 1 1   17   29    2 o   18.790   1.7888   42.306   7.8409   43.900   11.067   40.700   11.110   19.009   2.5283   18.264   2.6537 0.7444286 3.665346 
1 1 1   17   29    3 o   40.185   2.5753  193.798   24.308  184.900   34.374  202.700   34.380   38.881   3.7923   40.790   3.6065 -1.909397 5.233358 
1 1 1   17   29    4 o   21.695   2.0240   56.484   10.249   40.800   14.680   71.400   14.316   18.074   3.5663   24.316   2.5304 -6.242451 4.372805 
1 1 1   17   29    5 o   31.041   2.1982  115.401   16.008  115.900   22.608  114.900   22.670   30.883   3.1441   30.741   3.1684 0.1415138 4.463622 
1 1 1   17   29    6 o   60.599   3.5406  445.959   50.445  429.100   71.253  462.900   71.426   58.505   5.2122   60.912   5.0102 -2.406998 7.229761 
1 1 1   17   29    7 o   50.596   2.9791  308.861   35.436  346.400   50.241  271.700   49.987   53.130   4.0347   46.758   4.5863 6.371857 6.108436 
1 1 1   17   29    8 o   42.802   2.6850  220.518   27.001  198.700   38.157  242.400   38.213   40.117   4.0849   44.526   3.6670 -4.409164 5.489403 
1 1 1   17   29    9 o   52.621   3.2189  335.632   39.805  345.900   56.071  325.200   56.517   52.757   4.5453   51.030   4.7445 1.726460 6.570386 
1 1 1   17   29   10 o   28.091   1.8950   94.353   12.497   70.400   17.496  119.300   17.856   23.950   3.1717   31.488   2.4200 -7.537134 3.989486 
1 1 1   17   29   11 o   9.2561   1.6804   10.494   3.5375   4.1000   4.8140   18.000   5.2158   6.5225   2.3901   12.158   1.8772 -5.635579 3.039188 
1 1 1   17   29   12 o   20.886   1.8487   52.332   9.0236   56.600   12.789   48.100   12.734   21.578   2.5598   19.810   2.8001 1.767902 3.793866 
1 1 1   17   29   13 o   21.459   1.8714   55.262   9.3879   57.400   13.241   53.100   13.312   21.706   2.6376   20.830   2.7755 0.8753490 3.828843 
1 1 1   17   29   14 o   52.907   3.2296  340.889   40.155  349.400   56.659  332.300   56.917   52.761   4.5936   51.342   4.7485 1.418381 6.606708 
1 1 1   17   29   15 o   21.731   1.9128   56.742   9.7157   52.400   13.808   61.000   13.673   20.637   2.9146   22.370   2.6394 -1.732502 3.932031 
1 1 1   17   29   16 o   18.931   1.8225   43.103   8.0466   36.800   11.337   49.500   11.422   17.232   2.8885   20.162   2.4494 -2.930061 3.787209 
1 1 1   17   29   17 o   28.002   2.0775   94.241   13.639   82.400   19.241  106.200   19.336   25.846   3.2225   29.528   2.8068 -3.681927 4.273526 
1 1 1   17   29   18 o   17.012   1.7991   34.875   7.1176   40.400   9.9990   29.200   10.134   18.196   2.3844   15.295   2.9122 2.901123 3.763868 
1 1 1   17   29   19 o   26.087   1.8881   81.647   11.552   69.000   16.090   95.100   16.595   23.692   2.9392   27.994   2.5381 -4.301472 3.883374 
1 1 1   17   29   20 o   15.000   1.8149   27.221   6.2977   31.100   8.6754   22.900   9.1569   15.922   2.3805   13.492   2.9558 2.430044 3.795219 
1 1 1   17   29   21 o   52.062   3.2080  332.047   39.246  338.600   55.303  325.400   55.702   51.622   4.5845   50.488   4.7273 1.133812 6.585211 
1 1 1   17   29   22 o   25.813   1.9898   80.187   12.035   77.800   16.972   82.600   17.068   25.156   2.9110   25.957   2.8305 -0.8006611 4.060219 
1 1 1   17   29   23 o   32.755   2.2928  129.726   17.622  150.500   24.906  108.900   24.937   34.990   3.0447   29.457   3.6643 5.533030 4.764154 
1 1 1   17   29   24 o   37.387   2.4878  169.859   21.838  174.500   30.852  165.200   30.914   37.365   3.5388   36.280   3.6584 1.085110 5.089951 
1 1 1   17   29   25 o   31.580   2.2151  120.813   16.414  135.600   23.242  106.100   23.183   33.125   3.0040   29.065   3.4449 4.060059 4.570709 
1 1 1   17   29   26 o   14.142   2.5289   25.000   8.1353   0.0000   0.0000   25.000   8.1353  ?   ?    14.142   2.5289 0.000000 2.528901 
1 1 1   17   29   27 o   30.558   3.2406  117.200   23.026   0.0000   0.0000  117.200   23.026  ?   ?    30.558   3.2406 0.000000 3.240551 
1 1 1   17   29   28 o   30.237   3.2170  115.300   22.616   0.0000   0.0000  115.300   22.616  ?   ?    30.237   3.2170 0.000000 3.216997 
1 1 1   17   29   29 o   21.344   2.7343   57.000   13.464   0.0000   0.0000   57.000   13.464  ?   ?    21.344   2.7343 0.000000 2.734290 
1 1 1   17   29   30 o   37.792   3.8120  185.600   33.554   0.0000   0.0000  185.600   33.554  ?   ?    37.792   3.8120 0.000000 3.812016 
1 1 1   17   29   31 o   6.3188   2.2388   4.3000   4.1814   0.0000   0.0000   4.3000   4.1814  ?   ?    6.3188   2.2388 0.000000 2.238809 
1 1 1   17   29   32 o   21.088   2.8720   56.400   13.929   0.0000   0.0000   56.400   13.929  ?   ?    21.088   2.8720 0.000000 2.872036 
1 1 1   17   29   33 o   25.741   3.0780   84.800   18.338   0.0000   0.0000   84.800   18.338  ?   ?    25.741   3.0780 0.000000 3.077957 
1 1 1   17   29   34 o   6.9701   2.5329   5.2000   5.3900   0.0000   0.0000   5.2000   5.3900  ?   ?    6.9701   2.5329 0.000000 2.532916 
1 1 1   17   29   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   29   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30    0 o   2.4120   1.6170  -1.0000   2.5776  -1.0000   2.5776  -1.0000   2.5776   2.4120   1.6170   2.4120   1.6170 0.000000 0.000000 
1 1 1   17   30    1 o   51.492   2.9563  319.929   35.795  383.500   50.730  256.900   50.514   55.979   3.8614   45.323   4.7926 10.65630 6.154594 
1 1 1   17   30    2 o   13.107   1.7869   20.793   5.3865   27.300   7.5102   13.900   7.7299   14.976   2.1883   10.599   2.9697 4.377080 3.688855 
1 1 1   17   30    3 o   55.688   3.2852  375.975   43.009  392.900   61.050  359.300   60.599   56.216   4.6405   53.628   4.8374 2.588211 6.703309 
1 1 1   17   30    4 o   36.326   2.3696  158.372   20.215  137.600   28.535  179.300   28.642   33.462   3.6716   38.418   3.1860 -4.956398 4.861185 
1 1 1   17   30    5 o   7.6489   1.7983   7.2357   3.1933   9.4000   4.4798   5.0000   4.5530   8.7078   2.1828   6.7874   2.3410 1.920380 3.200759 
1 1 1   17   30    6 o   47.714   2.9322  274.997   32.877  269.500   46.482  280.500   46.510   46.654   4.2664   47.649   4.1757 -0.9951591 5.969851 
1 1 1   17   30    7 o   81.510   4.6994  826.796   90.068  866.600  127.461  787.100  127.290   81.366   6.6933   77.096   7.0708 4.270676 9.736320 
1 1 1   17   30    8 o   50.308   2.9644  306.038   35.060  279.200   49.390  333.300   49.778   47.339   4.4713   51.969   4.0894 -4.630230 6.059336 
1 1 1   17   30    9 o   50.859   2.9130  312.673   34.839  271.800   48.873  354.900   49.676   46.662   4.4910   53.687   3.9461 -7.025051 5.978345 
1 1 1   17   30   10 o   8.1062   1.9796   8.1451   3.7565   9.4000   4.7293   6.0000   6.1832   8.7073   2.2750   7.6162   2.7199 1.091038 3.545910 
1 1 1   17   30   11 o   79.251   4.7583  787.922   88.635  847.000  125.062  728.300  125.637   79.951   6.6857   73.285   7.3595 6.666222 9.942877 
1 1 1   17   30   12 o   31.837   2.1687  121.717   16.207  106.500   22.749  137.400   23.094   29.428   3.3325   33.607   2.9397 -4.179096 4.443797 
1 1 1   17   30   13 o   19.422   1.8372   45.342   8.3258   38.600   11.725   52.200   11.825   17.659   2.9134   20.715   2.4659 -3.055792 3.816855 
1 1 1   17   30   14 o   28.460   2.1418   97.403   14.289  115.100   20.177   79.600   20.238   30.761   2.8087   25.324   3.4759 5.437134 4.468905 
1 1 1   17   30   15 o   11.923   1.8119   17.319   4.9409   16.500   6.6913   18.300   7.3268   11.498   2.5328   12.103   2.6382 -0.6043262 3.657211 
1 1 1   17   30   16 o   33.718   2.2692  136.859   17.963  174.900   25.468   99.200   25.339   37.931   2.8644   28.122   3.9226 9.809549 4.857158 
1 1 1   17   30   17 f   24.813   1.9804   74.011   11.507   69.900   16.296   78.100   16.251   23.849   2.9571   25.286   2.7668 -1.437294 4.049638 
1 1 1   17   30   18 o   27.981   2.1245   94.248   13.932   99.100   19.607   89.300   19.801   28.446   2.9624   26.915   3.1767 1.530628 4.343613 
1 1 1   17   30   19 o   28.745   2.0817   99.415   14.035   94.300   19.597  104.800   20.109   27.699   3.0465   29.250   2.9518 -1.551016 4.241950 
1 1 1   17   30   20 o   53.503   3.1579  350.215   39.720  322.700   55.986  378.100   56.361   50.243   4.7764   54.722   4.3989 -4.479595 6.493379 
1 1 1   17   30   21 o   76.656   4.5723  746.819   82.387  799.300  116.492  694.300  116.534   76.625   6.4995   70.522   7.0941 6.102730 9.621298 
1 1 1   17   30   22 o   33.201   2.3338  133.458   18.181  148.000   25.661  118.800   25.762   34.619   3.1744   30.787   3.6123 3.831743 4.808873 
1 1 1   17   30   23 f   43.041   2.6990  226.081   27.292  272.200   38.626  180.100   38.569   46.720   3.5272   37.358   4.4603 9.362801 5.686413 
1 1 1   17   30   24 o   11.943   1.7364   17.406   4.7533   19.800   6.9481   15.300   6.5169   12.588   2.4255   11.014   2.5553 1.574074 3.523119 
1 1 1   17   30   25 o   34.140   3.4416  146.600   27.367   0.0000   0.0000  146.600   27.367  ?   ?    34.140   3.4416 0.000000 3.441622 
1 1 1   17   30   26 o   42.951   4.1002  238.100   41.080   0.0000   0.0000  238.100   41.080  ?   ?    42.951   4.1002 0.000000 4.100228 
1 1 1   17   30   27 o   8.9483   2.3797   10.100   5.1155   0.0000   0.0000   10.100   5.1155  ?   ?    8.9483   2.3797 0.000000 2.379702 
1 1 1   17   30   28 o   38.180   3.7776  188.300   33.611   0.0000   0.0000  188.300   33.611  ?   ?    38.180   3.7776 0.000000 3.777559 
1 1 1   17   30   29 o   21.302   2.7429   56.900   13.476   0.0000   0.0000   56.900   13.476  ?   ?    21.302   2.7429 0.000000 2.742854 
1 1 1   17   30   30 o   9.4609   2.8396   11.300   6.8510   0.0000   0.0000   11.300   6.8510  ?   ?    9.4609   2.8396 0.000000 2.839642 
1 1 1   17   30   31 o   2.7754   1.3498  -4.9000   2.8147   0.0000   0.0000  -4.9000   2.8147  ?   ?    2.7754   1.3498 0.000000 1.349778 
1 1 1   17   30   32 o   34.797   3.6970  158.900   29.912   0.0000   0.0000  158.900   29.912  ?   ?    34.797   3.6970 0.000000 3.697034 
1 1 1   17   30   33 f   12.041   2.8615   19.000   8.0161   0.0000   0.0000   19.000   8.0161  ?   ?    12.041   2.8615 0.000000 2.861489 
1 1 1   17   30   34 o   16.340   2.8918   35.000   10.750   0.0000   0.0000   35.000   10.750  ?   ?    16.340   2.8918 0.000000 2.891762 
1 1 1   17   30   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   30   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   31    0 o   8.5984   3.0050   11.500   5.5221   11.500   5.5221   11.500   5.5221   8.5984   3.0050   8.5984   3.0050 0.000000 0.000000 
1 1 1   17   31    1 o   73.475   4.1626  665.313   71.924  726.500  101.957  604.700  101.478   75.364   5.7731   68.153   6.3798 7.210991 8.604084 
1 1 1   17   31    2 o  101.625   5.7961  1319.85  138.515  1184.60  195.635  1455.80  196.145   91.202   9.2102  103.078   8.1242 -11.87611 12.28135 
1 1 1   17   31    3 o   40.613   2.5089  198.400   23.943  231.100   33.965  166.100   33.757   43.550   3.3280   36.634   3.9655 6.916340 5.176960 
1 1 1   17   31    4 o   38.594   2.4925  179.224   22.594  192.400   31.985  166.100   31.921   39.662   3.4494   36.722   3.7331 2.940586 5.082756 
1 1 1   17   31    5 o   28.419   2.1026   96.905   14.010   84.500   19.817  109.300   19.809   26.223   3.2716   30.007   2.8291 -3.783810 4.325168 
1 1 1   17   31    6 o   75.801   4.3033  711.844   76.708  807.400  108.598  616.700  108.364   79.205   5.8478   68.177   6.8226 11.02702 8.985822 
1 1 1   17   31    7 o   26.469   2.0265   84.068   12.570   98.900   17.795   69.300   17.757   28.563   2.6693   23.702   3.2589 4.861355 4.212574 
1 1 1   17   31    8 f   32.188   2.0042  124.067   15.158   78.900   21.245  170.900   21.633   25.174   3.6829   37.678   2.4447 -12.50425 4.420449 
1 1 1   17   31    9 o   10.243   1.6748   12.797   3.9106   4.2000   5.2193   23.800   5.9048   6.6959   2.4826   14.021   1.8269 -7.324802 3.082371 
1 1 1   17   31   10 o   43.292   2.7892  226.852   28.362  242.200   39.978  211.300   40.242   44.252   3.8647   41.143   4.2010 3.108635 5.708258 
1 1 1   17   31   11 o   27.076   2.0145   88.002   12.788  106.000   18.160   70.300   18.011   29.570   2.6282   23.842   3.2864 5.727713 4.208063 
1 1 1   17   31   12 o   15.571   1.7203   29.210   6.2200   22.700   8.7050   36.000   8.8906   13.474   2.8262   17.201   2.2421 -3.727146 3.607557 
1 1 1   17   31   13 o   17.463   1.7981   36.712   7.3087   37.900   10.286   35.500   10.386   17.580   2.5525   16.972   2.6806 0.6086864 3.701464 
1 1 1   17   31   14 o   25.387   2.0082   77.455   11.941   78.300   16.836   76.600   16.937   25.299   2.8689   25.003   2.9239 0.2959118 4.096317 
1 1 1   17   31   15 o   44.344   2.8223  238.645   29.400  249.600   41.492  227.600   41.663   44.777   3.9652   42.615   4.1946 2.161999 5.772172 
1 1 1   17   31   16 o   11.867   1.8097   17.164   4.9106   20.100   6.8181   14.000   7.0785   12.748   2.3516   10.575   2.7931 2.172722 3.651241 
1 1 1   17   31   17 o   21.677   1.8822   56.507   9.5387   48.000   13.271   65.600   13.720   19.697   2.9436   23.205   2.5457 -3.507675 3.891683 
1 1 1   17   31   18 o   31.658   2.1710  120.677   16.132  103.200   22.640  138.700   22.992   28.858   3.3868   33.697   2.9183 -4.838509 4.470627 
1 1 1   17   31   19 o   46.800   3.0046  267.522   33.029  300.800   46.590  233.900   46.830   48.977   4.0652   42.720   4.7212 6.257236 6.230207 
1 1 1   17   31   20 o   54.262   3.2477  362.154   41.422  348.300   58.276  376.300   58.887   52.003   4.7998   54.205   4.6455 -2.202202 6.679705 
1 1 1   17   31   21 o   35.903   2.4147  156.352   20.353  157.200   28.746  155.500   28.820   35.507   3.4729   35.296   3.5042 0.2108269 4.933655 
1 1 1   17   31   22 o   19.204   1.8716   44.584   8.3795   54.200   11.770   34.700   11.933   21.043   2.4123   16.550   3.1688 4.492275 3.982461 
1 1 1   17   31   23 o   29.952   1.9976  108.302   14.048  135.300   20.238   83.200   19.514   33.251   2.5982   25.742   3.2852 7.508547 4.188460 
1 1 1   17   31   24 o   33.160   3.3749  138.100   26.058   0.0000   0.0000  138.100   26.058  ?   ?    33.160   3.3749 0.000000 3.374862 
1 1 1   17   31   25 o   4.8043   1.7976   2.1000   2.7489   0.0000   0.0000   2.1000   2.7489  ?   ?    4.8043   1.7976 0.000000 1.797650 
1 1 1   17   31   26 o   21.399   2.7613   57.200   13.627   0.0000   0.0000   57.200   13.627  ?   ?    21.399   2.7613 0.000000 2.761300 
1 1 1   17   31   27 o   13.387   2.5100   22.600   7.6426   0.0000   0.0000   22.600   7.6426  ?   ?    13.387   2.5100 0.000000 2.509961 
1 1 1   17   31   28 o   16.471   2.6081   34.100   9.8059   0.0000   0.0000   34.100   9.8059  ?   ?    16.471   2.6081 0.000000 2.608116 
1 1 1   17   31   29 o   23.360   2.9737   69.000   16.032   0.0000   0.0000   69.000   16.032  ?   ?    23.360   2.9737 0.000000 2.973726 
1 1 1   17   31   30 o   25.416   3.1183   82.400   18.323   0.0000   0.0000   82.400   18.323  ?   ?    25.416   3.1183 0.000000 3.118332 
1 1 1   17   31   31 o   28.818   3.2426  106.800   21.682   0.0000   0.0000  106.800   21.682  ?   ?    28.818   3.2426 0.000000 3.242575 
1 1 1   17   31   32 o   4.6541   1.9810   0.2000   3.8166   0.0000   0.0000   0.2000   3.8166  ?   ?    4.6541   1.9810 0.000000 1.980977 
1 1 1   17   31   33 o   23.296   3.1531   71.500   16.900   0.0000   0.0000   71.500   16.900  ?   ?    23.296   3.1531 0.000000 3.153064 
1 1 1   17   31   34 o   23.129   3.1263   71.700   16.637   0.0000   0.0000   71.700   16.637  ?   ?    23.129   3.1263 0.000000 3.126285 
1 1 1   17   31   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   31   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   31   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   31   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   31   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   32    0 o   60.965   5.2744  463.900   74.623  463.900   74.623  463.900   74.623   60.965   5.2744   60.965   5.2744 0.000000 0.000000 
1 1 1   17   32    1 o   54.682   3.0902  362.846   39.739  430.300   56.369  296.200   56.030   58.991   4.0715   48.350   4.9788 10.64137 6.431620 
1 1 1   17   32    2 o   29.926   2.1158  107.487   14.855  119.200   21.112   96.000   20.907   31.311   2.8879   27.969   3.2247 3.342678 4.328832 
1 1 1   17   32    3 o   17.764   1.8054   37.954   7.4679   41.000   10.471   34.800   10.654   18.329   2.4833   16.789   2.7850 1.540094 3.731356 
1 1 1   17   32    4 o   49.544   2.9969  297.692   34.897  326.100   49.402  269.400   49.301   51.276   4.1147   46.320   4.5668 4.955780 6.147019 
1 1 1   17   32    5 f   52.500   3.1928  335.413   39.393  365.400   55.745  305.500   55.676   54.096   4.4022   49.144   4.8615 4.951767 6.558455 
1 1 1   17   32    6 o   9.1153   2.1042   10.319   4.4373   17.700   5.9261   0.9000   6.6945   11.989   2.1734   6.3414   2.6574 5.647148 3.432965 
1 1 1   17   32    7 o   12.620   1.7213   19.298   4.9959   18.300   6.8968   20.400   7.2467   12.134   2.4906   12.828   2.4820 -0.6945543 3.516161 
1 1 1   17   32    8 o   40.910   2.5296  201.818   24.316  174.600   34.244  229.500   34.535   37.487   3.9268   43.279   3.4068 -5.791798 5.198643 
1 1 1   17   32    9 o   22.540   1.9438   61.051   10.245   62.100   14.162   59.900   14.839   22.551   2.7139   22.086   2.9165 0.4651604 3.983926 
1 1 1   17   32   10 o   30.908   2.2283  114.942   16.154  124.500   22.795  105.300   22.895   31.917   3.0622   29.219   3.3807 2.697405 4.561358 
1 1 1   17   32   11 o   20.498   1.7146   50.366   8.2228   65.900   11.928   36.300   11.351   23.367   2.1872   17.105   2.9146 6.261930 3.644018 
1 1 1   17   32   12 o   36.907   2.4546  164.360   21.270  157.000   29.999  171.800   30.163   35.625   3.6163   37.351   3.4591 -1.726231 5.004273 
1 1 1   17   32   13 o   45.137   2.8174  247.135   29.879  236.600   42.127  257.800   42.385   43.491   4.1524   45.511   3.9841 -2.019978 5.754660 
1 1 1   17   32   14 o   17.891   1.8400   38.571   7.6628   40.700   10.667   36.300   11.015   18.222   2.5488   17.119   2.8232 1.102814 3.803553 
1 1 1   17   32   15 o   44.452   2.8458  240.136   29.715  257.300   41.918  222.800   42.129   45.438   3.9460   42.053   4.3031 3.384651 5.838486 
1 1 1   17   32   16 o   34.402   2.4121  142.987   19.471  171.900   27.471  113.800   27.601   37.454   3.1349   30.072   3.9851 7.382713 5.070331 
1 1 1   17   32   17 o   26.122   2.0407   82.162   12.488   85.200   17.625   79.100   17.696   26.356   2.8788   25.338   3.0169 1.018284 4.169979 
1 1 1   17   32   18 o   31.338   2.2274  118.571   16.376  114.000   23.086  123.200   23.232   30.342   3.2740   31.605   3.1551 -1.263306 4.546837 
1 1 1   17   32   19 o   20.514   1.8577   50.740   8.9012   65.300   12.614   36.300   12.562   23.165   2.3381   16.935   3.2596 6.229759 4.011468 
1 1 1   17   32   20 o   28.793   2.1373  100.210   14.428  107.800   20.391   92.600   20.418   29.564   2.9607   27.267   3.2341 2.296717 4.384667 
1 1 1   17   32   21 o   14.896   1.8446   26.975   6.3497   25.700   9.5139   28.000   8.5268   14.250   2.9254   15.013   2.4926 -0.7632275 3.843312 
1 1 1   17   32   22 o   21.314   2.7338   56.300   13.442   0.0000   0.0000   56.300   13.442  ?   ?    21.314   2.7338 0.000000 2.733756 
1 1 1   17   32   23 o   8.0824   2.3359   8.1000   4.7094   0.0000   0.0000   8.1000   4.7094  ?   ?    8.0824   2.3359 0.000000 2.335882 
1 1 1   17   32   24 o   17.917   2.6626   40.100   10.922   0.0000   0.0000   40.100   10.922  ?   ?    17.917   2.6626 0.000000 2.662626 
1 1 1   17   32   25 o   12.083   2.5529   18.500   7.0557   0.0000   0.0000   18.500   7.0557  ?   ?    12.083   2.5529 0.000000 2.552893 
1 1 1   17   32   26 o   20.120   2.7217   50.700   12.599   0.0000   0.0000   50.700   12.599  ?   ?    20.120   2.7217 0.000000 2.721730 
1 1 1   17   32   27 o   38.911   3.8537  196.600   34.944   0.0000   0.0000  196.600   34.944  ?   ?    38.911   3.8537 0.000000 3.853696 
1 1 1   17   32   28 o   47.133   4.5667  299.600   50.189   0.0000   0.0000  299.600   50.189  ?   ?    47.133   4.5667 0.000000 4.566698 
1 1 1   17   32   29 o   21.321   2.9504   57.800   14.457   0.0000   0.0000   57.800   14.457  ?   ?    21.321   2.9504 0.000000 2.950443 
1 1 1   17   32   30 o   14.639   2.8314   27.600   9.4334   0.0000   0.0000   27.600   9.4334  ?   ?    14.639   2.8314 0.000000 2.831398 
1 1 1   17   32   31 o   15.037   2.7029   29.100   9.2444   0.0000   0.0000   29.100   9.2444  ?   ?    15.037   2.7029 0.000000 2.702883 
1 1 1   17   32   32 o   12.355   2.9132   20.300   8.3608   0.0000   0.0000   20.300   8.3608  ?   ?    12.355   2.9132 0.000000 2.913227 
1 1 1   17   32   33 o   2.7647   1.2899  -1.9000   2.0708   0.0000   0.0000  -1.9000   2.0708  ?   ?    2.7647   1.2899 0.000000 1.289919 
1 1 1   17   32   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   32   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   32   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   32   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   32   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33    0 o   3.9677   2.2675   2.4000   3.3456   2.4000   3.3456   2.4000   3.3456   3.9677   2.2675   3.9677   2.2675 0.000000 0.000000 
1 1 1   17   33    1 o   25.840   1.9935   80.147   12.070   64.500   17.041   95.900   17.098   22.837   3.2519   28.127   2.6039 -5.289919 4.165939 
1 1 1   17   33    2 o   17.919   1.7296   38.568   7.2278   44.800   10.334   32.600   10.113   19.204   2.3264   16.243   2.7337 2.960789 3.589597 
1 1 1   17   33    3 o   19.238   1.8198   44.476   8.1686   53.400   11.535   35.500   11.569   20.978   2.3702   16.895   3.0102 4.083168 3.831347 
1 1 1   17   33    4 o   22.828   1.9032   62.559   10.166   56.900   14.205   68.500   14.554   21.534   2.8645   23.721   2.6433 -2.186541 3.897735 
1 1 1   17   33    5 o   44.563   2.7782  240.370   29.089  226.800   41.018  254.100   41.260   42.660   4.1232   45.298   3.8952 -2.638130 5.672169 
1 1 1   17   33    6 o   31.213   2.2390  117.216   16.393  118.200   22.999  116.200   23.371   31.055   3.1812   30.758   3.2679 0.2973671 4.560606 
1 1 1   17   33    7 o   17.458   1.7783   36.671   7.2285   38.600   10.167   34.700   10.279   17.762   2.4927   16.777   2.6852 0.9851551 3.663877 
1 1 1   17   33    8 o   40.265   2.6698  196.143   25.240  211.300   35.530  180.700   35.863   41.364   3.6758   38.048   4.0541 3.315903 5.472430 
1 1 1   17   33    9 o   27.668   2.0848   92.027   13.521   86.600   18.913   97.700   19.336   26.557   3.0727   28.271   2.9395 -1.713858 4.252287 
1 1 1   17   33   10 f   75.748   4.6135  721.933   82.129  783.500  115.836  659.700  116.461   76.728   6.4532   69.431   7.2084 7.296967 9.674982 
1 1 1   17   33   11 o   32.434   2.2809  126.723   17.358  110.400   24.565  143.000   24.531   29.835   3.5569   34.198   3.0704 -4.363817 4.698863 
1 1 1   17   33   12 o   43.321   2.7137  227.408   27.621  211.300   38.892  243.800   39.233   41.109   4.0595   44.338   3.7835 -3.229446 5.549272 
1 1 1   17   33   13 o   45.555   2.7470  251.628   29.412  213.100   41.371  291.000   41.822   41.114   4.3262   48.510   3.6783 -7.396240 5.678556 
1 1 1   17   33   14 o   49.173   3.0881  295.214   35.676  320.800   50.342  269.400   50.565   50.537   4.2582   45.969   4.7256 4.567776 6.361099 
1 1 1   17   33   15 o   43.137   2.8020  226.373   28.387  242.700   39.997  209.800   40.296   44.090   3.8812   40.753   4.2498 3.336807 5.755449 
1 1 1   17   33   16 o   18.725   1.8432   42.288   8.0444   57.700   11.362   26.800   11.391   21.805   2.2386   14.498   3.3881 7.306476 4.060850 
1 1 1   17   33   17 o   31.783   2.2885  122.234   17.060  136.400   24.056  107.900   24.198   33.259   3.0987   29.346   3.5652 3.912867 4.723636 
1 1 1   17   33   18 o   41.667   2.7505  211.989   26.910  264.000   38.006  159.700   38.108   46.048   3.5220   35.022   4.7289 11.02564 5.896336 
1 1 1   17   33   19 o   59.139   3.6303  437.491   50.452  462.400   71.290  412.500   71.409   59.168   5.1540   55.434   5.5291 3.734097 7.558710 
1 1 1   17   33   20 o   5.4382   2.0122   2.8000   3.4254   0.0000   0.0000   2.8000   3.4254  ?   ?    5.4382   2.0122 0.000000 2.012245 
1 1 1   17   33   21 o   9.5543   2.5298   11.500   5.7975   0.0000   0.0000   11.500   5.7975  ?   ?    9.5543   2.5298 0.000000 2.529790 
1 1 1   17   33   22 o   42.604   4.0811  234.400   40.555   0.0000   0.0000  234.400   40.555  ?   ?    42.604   4.0811 0.000000 4.081132 
1 1 1   17   33   23 o   24.207   2.8816   73.200   16.148   0.0000   0.0000   73.200   16.148  ?   ?    24.207   2.8816 0.000000 2.881593 
1 1 1   17   33   24 o   39.732   3.8931  204.200   36.057   0.0000   0.0000  204.200   36.057  ?   ?    39.732   3.8931 0.000000 3.893090 
1 1 1   17   33   25 o   19.632   2.7223   48.300   12.280   0.0000   0.0000   48.300   12.280  ?   ?    19.632   2.7223 0.000000 2.722317 
1 1 1   17   33   26 o   29.233   3.1830  108.200   21.617   0.0000   0.0000  108.200   21.617  ?   ?    29.233   3.1830 0.000000 3.183044 
1 1 1   17   33   27 o   46.315   4.5220  289.000   48.824   0.0000   0.0000  289.000   48.824  ?   ?    46.315   4.5220 0.000000 4.522017 
1 1 1   17   33   28 o   22.051   2.8542   61.500   14.513   0.0000   0.0000   61.500   14.513  ?   ?    22.051   2.8542 0.000000 2.854185 
1 1 1   17   33   29 o   16.632   2.7898   35.400   10.569   0.0000   0.0000   35.400   10.569  ?   ?    16.632   2.7898 0.000000 2.789824 
1 1 1   17   33   30 f   7.9563   2.5735   7.8000   5.5147   0.0000   0.0000   7.8000   5.5147  ?   ?    7.9563   2.5735 0.000000 2.573550 
1 1 1   17   33   31 o   5.0930   2.1014   1.2000   4.0942   0.0000   0.0000   1.2000   4.0942  ?   ?    5.0930   2.1014 0.000000 2.101414 
1 1 1   17   33   32 o   15.966   2.7773   33.700   10.091   0.0000   0.0000   33.700   10.091  ?   ?    15.966   2.7773 0.000000 2.777347 
1 1 1   17   33   33 o   11.324   2.6683   17.300   7.0178   0.0000   0.0000   17.300   7.0178  ?   ?    11.324   2.6683 0.000000 2.668314 
1 1 1   17   33   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   33   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   34    0 o   5.7598   2.9647   5.8000   5.1513   5.8000   5.1513   5.8000   5.1513   5.7598   2.9647   5.7598   2.9647 0.000000 0.000000 
1 1 1   17   34    1 o   9.8244   1.7560   11.836   3.9242   15.700   5.5600   8.0000   5.5393   11.273   2.1675   8.1906   2.5716 3.081943 3.363185 
1 1 1   17   34    2 o   12.629   1.8018   19.378   5.2209   11.100   7.4658   27.300   7.3038   9.5869   2.9815   14.966   2.1265 -5.378998 3.662137 
1 1 1   17   34    3 o   53.697   3.2690  352.066   41.253  378.700   58.323  325.400   58.358   54.875   4.5418   50.555   4.9521 4.320610 6.719435 
1 1 1   17   34    4 o   26.164   1.9617   82.164   12.032   65.500   16.923   99.200   17.110   23.016   3.2003   28.610   2.5598 -5.593237 4.098042 
1 1 1   17   34    5 o   54.229   3.2389  358.858   41.286  327.900   58.301  390.000   58.473   50.765   4.9255   55.733   4.4809 -4.968418 6.658727 
1 1 1   17   34    6 o   45.175   2.7272  246.993   28.956  285.100   41.285  210.100   40.622   48.086   3.6634   40.929   4.2658 7.157932 5.622971 
1 1 1   17   34    7 o   44.796   2.8351  243.439   29.835  253.300   42.111  233.500   42.277   45.117   3.9939   43.191   4.1983 1.926418 5.794575 
1 1 1   17   34    8 o   18.245   1.6714   39.954   7.1206   27.900   9.7389   53.800   10.437   14.955   2.8621   21.102   2.1235 -6.146894 3.563797 
1 1 1   17   34    9 o   73.665   4.5232  682.684   78.300  774.100  110.532  590.600  110.936   76.488   6.1723   65.392   7.3094 11.09660 9.566799 
1 1 1   17   34   10 o   74.850   4.3751  702.343   76.992  676.000  108.665  728.900  109.104   70.931   6.5621   74.008   6.3032 -3.077393 9.098942 
1 1 1   17   34   11 o   37.320   2.4907  168.351   21.823  168.500   30.752  168.200   30.976   36.892   3.5748   36.844   3.6066 0.4814148E-01 5.078081 
1 1 1   17   34   12 o   69.310   4.0991  600.235   66.790  566.500   94.364  634.100   94.546   65.070   6.2170   69.349   5.8275 -4.279213 8.521208 
1 1 1   17   34   13 o   29.499   2.0967  104.794   14.510   89.600   20.352  120.500   20.692   26.881   3.2739   31.404   2.8204 -4.522926 4.321260 
1 1 1   17   34   14 o   11.398   1.8886   15.933   4.9050   24.600   6.8119   6.6000   7.0685   14.176   2.0983   8.0156   2.9025 6.160434 3.581531 
1 1 1   17   34   15 o   3.3698   1.5079  -1.0793   2.4654   4.9000   3.2659  -9.0000   3.7589   6.3955   1.9691   2.9018   1.4397 3.493625 2.439325 
1 1 1   17   34   16 o   37.730   2.5388  173.107   22.488  178.100   31.624  168.000   31.985   37.736   3.5922   36.546   3.7599 1.190186 5.200072 
1 1 1   17   34   17 o   12.737   1.8857   19.843   5.5001   22.500   7.5282   16.800   8.0552   13.436   2.4635   11.503   2.9511 1.933766 3.844215 
1 1 1   17   34   18 o   45.734   4.2851  268.800   45.737   0.0000   0.0000  268.800   45.737  ?   ?    45.734   4.2851 0.000000 4.285056 
1 1 1   17   34   19 o   29.537   3.1499  108.800   21.631   0.0000   0.0000  108.800   21.631  ?   ?    29.537   3.1499 0.000000 3.149921 
1 1 1   17   34   20 o   15.380   2.5238   29.500   8.8477   0.0000   0.0000   29.500   8.8477  ?   ?    15.380   2.5238 0.000000 2.523814 
1 1 1   17   34   21 o   29.060   3.1499  106.000   21.269   0.0000   0.0000  106.000   21.269  ?   ?    29.060   3.1499 0.000000 3.149882 
1 1 1   17   34   22 o   11.237   2.5019   16.000   6.4681   0.0000   0.0000   16.000   6.4681  ?   ?    11.237   2.5019 0.000000 2.501871 
1 1 1   17   34   23 o   9.4497   2.3580   11.300   5.2448   0.0000   0.0000   11.300   5.2448  ?   ?    9.4497   2.3580 0.000000 2.358041 
1 1 1   17   34   24 o   3.8496   1.6145   0.3000   2.4744   0.0000   0.0000   0.3000   2.4744  ?   ?    3.8496   1.6145 0.000000 1.614506 
1 1 1   17   34   25 o   20.277   2.7445   51.600   12.803   0.0000   0.0000   51.600   12.803  ?   ?    20.277   2.7445 0.000000 2.744521 
1 1 1   17   34   26 o   19.527   2.7243   48.000   12.220   0.0000   0.0000   48.000   12.220  ?   ?    19.527   2.7243 0.000000 2.724305 
1 1 1   17   34   27 o   48.481   4.7639  323.700   53.834   0.0000   0.0000  323.700   53.834  ?   ?    48.481   4.7639 0.000000 4.763917 
1 1 1   17   34   28 o   4.1776   1.8698  -1.5000   3.7931   0.0000   0.0000  -1.5000   3.7931  ?   ?    4.1776   1.8698 0.000000 1.869762 
1 1 1   17   34   29 o   29.702   3.4212  116.400   23.557   0.0000   0.0000  116.400   23.557  ?   ?    29.702   3.4212 0.000000 3.421237 
1 1 1   17   34   30 o   13.439   2.8917   24.000   8.9046   0.0000   0.0000   24.000   8.9046  ?   ?    13.439   2.8917 0.000000 2.891676 
1 1 1   17   34   31 o   13.765   2.6537   25.000   8.3132   0.0000   0.0000   25.000   8.3132  ?   ?    13.765   2.6537 0.000000 2.653747 
1 1 1   17   34   32 o   8.3158   2.5627   9.1000   5.5301   0.0000   0.0000   9.1000   5.5301  ?   ?    8.3158   2.5627 0.000000 2.562687 
1 1 1   17   34   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   34   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   34   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   34   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   35    0 o   7.6948   3.0279   9.7000   5.2799   9.7000   5.2799   9.7000   5.2799   7.6948   3.0279   7.6948   3.0279 0.000000 0.000000 
1 1 1   17   35    1 o   68.599   3.9714  583.440   64.056  533.400   90.355  634.000   90.824   63.584   6.0925   69.978   5.5417 -6.393768 8.235804 
1 1 1   17   35    2 o   22.691   1.7995   61.751   9.5627   45.200   13.223   79.900   13.846   19.089   3.0351   25.712   2.3050 -6.623240 3.811085 
1 1 1   17   35    3 o   24.282   1.9936   70.901   11.330   77.000   15.957   64.700   16.090   25.119   2.7344   22.908   3.0503 2.211489 4.096510 
1 1 1   17   35    4 o   26.653   2.1119   85.507   13.183   94.100   18.478   76.600   18.812   27.755   2.8603   24.878   3.2826 2.877884 4.353945 
1 1 1   17   35    5 o   44.102   2.7832  235.884   28.836  171.200   40.744  300.800   40.817   36.559   4.8385   49.446   3.5187 -12.88734 5.982726 
1 1 1   17   35    6 o   52.176   2.9820  331.167   36.588  286.100   51.226  378.100   52.276   47.513   4.6245   55.098   4.0463 -7.584850 6.144775 
1 1 1   17   35    7 o   33.585   2.2736  135.919   17.925  149.500   25.425  122.500   25.274   34.930   3.1152   31.458   3.4596 3.472372 4.655437 
1 1 1   17   35    8 o   38.209   2.3879  176.188   21.437  155.900   30.019  197.300   30.623   35.425   3.6404   40.076   3.2643 -4.650440 4.889609 
1 1 1   17   35    9 f   4.8271   1.7968   2.1265   2.7393   1.2000   3.2949   4.2000   4.9290   4.7383   1.9110   6.5817   2.4175 -1.843339 3.081650 
1 1 1   17   35   10 o   23.864   2.0095   68.637   11.219   92.400   15.820   44.600   15.911   27.588   2.4541   18.697   3.7345 8.890411 4.468658 
1 1 1   17   35   11 o   42.537   2.7516  220.304   27.491  229.800   38.768  210.700   38.989   42.825   3.8757   40.858   4.0963 1.967068 5.639183 
1 1 1   17   35   12 o   31.549   2.2335  120.267   16.531  115.600   23.178  125.100   23.585   30.536   3.2651   31.814   3.1821 -1.278521 4.559193 
1 1 1   17   35   13 o   44.009   2.8101  236.494   29.050  235.700   40.939  237.300   41.228   43.172   4.0637   43.308   4.0795 -0.1362457 5.758133 
1 1 1   17   35   14 o   20.144   1.9657   49.098   9.2310   59.200   12.901   38.500   13.214   21.974   2.5326   17.410   3.3356 4.563623 4.188148 
1 1 1   17   35   15 o   8.5716   1.8677   9.1363   3.6735   3.5000   4.8667   16.600   5.6003   6.2933   2.3839   11.573   2.1277 -5.279886 3.195303 
1 1 1   17   35   16 o   23.723   1.9964   68.067   11.080   72.800   15.725   63.400   15.613   24.273   2.7945   22.553   3.0067 1.720179 4.104845 
1 1 1   17   35   17 o   44.051   4.1941  249.400   43.100   0.0000   0.0000  249.400   43.100  ?   ?    44.051   4.1941 0.000000 4.194135 
1 1 1   17   35   18 o   20.167   2.7310   50.600   12.671   0.0000   0.0000   50.600   12.671  ?   ?    20.167   2.7310 0.000000 2.730993 
1 1 1   17   35   19 o   17.895   2.6234   39.900   10.757   0.0000   0.0000   39.900   10.757  ?   ?    17.895   2.6234 0.000000 2.623443 
1 1 1   17   35   20 o   30.480   3.2445  117.100   22.994   0.0000   0.0000  117.100   22.994  ?   ?    30.480   3.2445 0.000000 3.244532 
1 1 1   17   35   21 o   39.377   3.8608  200.000   35.438   0.0000   0.0000  200.000   35.438  ?   ?    39.377   3.8608 0.000000 3.860831 
1 1 1   17   35   22 o   8.0854   2.4141   8.1000   4.9609   0.0000   0.0000   8.1000   4.9609  ?   ?    8.0854   2.4141 0.000000 2.414062 
1 1 1   17   35   23 o   17.622   2.6289   38.900   10.604   0.0000   0.0000   38.900   10.604  ?   ?    17.622   2.6289 0.000000 2.628880 
1 1 1   17   35   24 o   25.758   2.9875   83.700   17.833   0.0000   0.0000   83.700   17.833  ?   ?    25.758   2.9875 0.000000 2.987459 
1 1 1   17   35   25 o   16.294   2.6225   33.500   9.7480   0.0000   0.0000   33.500   9.7480  ?   ?    16.294   2.6225 0.000000 2.622540 
1 1 1   17   35   26 o   27.283   3.0858   95.000   19.531   0.0000   0.0000   95.000   19.531  ?   ?    27.283   3.0858 0.000000 3.085773 
1 1 1   17   35   27 o   14.891   2.8427   28.700   9.6311   0.0000   0.0000   28.700   9.6311  ?   ?    14.891   2.8427 0.000000 2.842733 
1 1 1   17   35   28 o   8.5776   2.5952   9.4000   5.7053   0.0000   0.0000   9.4000   5.7053  ?   ?    8.5776   2.5952 0.000000 2.595164 
1 1 1   17   35   29 o   10.073   2.8298   13.500   7.0094   0.0000   0.0000   13.500   7.0094  ?   ?    10.073   2.8298 0.000000 2.829837 
1 1 1   17   35   30 o   6.8161   2.5550   4.9000   5.5579   0.0000   0.0000   4.9000   5.5579  ?   ?    6.8161   2.5550 0.000000 2.555005 
1 1 1   17   35   31 o   11.832   2.8650   19.200   7.9193   0.0000   0.0000   19.200   7.9193  ?   ?    11.832   2.8650 0.000000 2.864995 
1 1 1   17   35   32 o   10.405   2.9481   15.100   7.5737   0.0000   0.0000   15.100   7.5737  ?   ?    10.405   2.9481 0.000000 2.948113 
1 1 1   17   35   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   35   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   35   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   36    0 o   18.450   2.9317   43.600   11.806   43.600   11.806   43.600   11.806   18.450   2.9317   18.450   2.9317 0.000000 0.000000 
1 1 1   17   36    1 o   40.766   2.5973  201.315   24.873  184.100   34.989  218.900   35.364   38.364   3.9173   42.041   3.5969 -3.676277 5.318140 
1 1 1   17   36    2 o   41.516   2.6963  209.189   26.289  212.000   36.930  206.300   37.432   41.232   3.8371   40.603   3.9543 0.6283455 5.509984 
1 1 1   17   36    3 o   15.684   1.7349   29.682   6.3177   25.300   8.8201   34.300   9.0537   14.241   2.7221   16.735   2.3562 -2.494666 3.600234 
1 1 1   17   36    4 o   25.419   1.9231   77.662   11.458   57.000   16.002   99.400   16.413   21.369   3.2756   28.628   2.4516 -7.258253 4.091416 
1 1 1   17   36    5 o   25.215   1.9456   76.476   11.494   95.900   16.330   57.400   16.182   28.100   2.4867   21.429   3.3042 6.670305 4.135395 
1 1 1   17   36    6 o   25.562   1.9608   78.630   11.745   69.500   16.336   88.400   16.899   23.725   2.9818   26.896   2.6970 -3.170956 4.020569 
1 1 1   17   36    7 o   16.808   1.8285   34.140   7.1400   32.200   9.8363   36.300   10.381   16.109   2.6800   17.133   2.6515 -1.024658 3.769998 
1 1 1   17   36    8 o   51.732   3.1063  328.216   37.770  375.100   53.550  281.800   53.282   54.501   4.1931   46.641   4.9116 7.859180 6.458041 
1 1 1   17   36    9 o   33.709   2.3278  137.499   18.416  132.500   25.790  142.700   26.305   32.648   3.3949   33.926   3.3263 -1.277641 4.752864 
1 1 1   17   36   10 o   55.698   3.3169  383.141   43.428  357.900   61.107  408.900   61.730   52.396   4.9996   56.348   4.6818 -3.951603 6.849435 
1 1 1   17   36   11 o   46.730   2.9107  267.576   31.959  258.400   45.019  276.900   45.378   44.978   4.2907   46.674   4.1609 -1.696136 5.976862 
1 1 1   17   36   12 f   56.744   3.4435  400.279   45.923  389.900   64.725  410.800   65.167   54.420   5.0961   55.995   4.9805 -1.574821 7.125750 
1 1 1   17   36   13 o   18.514   1.7063   41.313   7.3756   28.100   10.199   55.800   10.679   14.897   3.0030   21.429   2.1391 -6.532080 3.686966 
1 1 1   17   36   14 o   35.326   3.5671  157.000   29.348   0.0000   0.0000  157.000   29.348  ?   ?    35.326   3.5671 0.000000 3.567087 
1 1 1   17   36   15 o   21.295   2.9198   56.600   14.296   0.0000   0.0000   56.600   14.296  ?   ?    21.295   2.9198 0.000000 2.919773 
1 1 1   17   36   16 o   17.755   2.9303   39.700   11.857   0.0000   0.0000   39.700   11.857  ?   ?    17.755   2.9303 0.000000 2.930322 
1 1 1   17   36   17 o   28.536   3.1222  102.000   20.695   0.0000   0.0000  102.000   20.695  ?   ?    28.536   3.1222 0.000000 3.122218 
1 1 1   17   36   18 o   19.253   2.6634   46.200   11.784   0.0000   0.0000   46.200   11.784  ?   ?    19.253   2.6634 0.000000 2.663432 
1 1 1   17   36   19 o   12.651   2.5257   20.200   7.2807   0.0000   0.0000   20.200   7.2807  ?   ?    12.651   2.5257 0.000000 2.525650 
1 1 1   17   36   20 o   27.225   3.0715   93.200   19.401   0.0000   0.0000   93.200   19.401  ?   ?    27.225   3.0715 0.000000 3.071539 
1 1 1   17   36   21 o   10.050   2.4077   12.800   5.6387   0.0000   0.0000   12.800   5.6387  ?   ?    10.050   2.4077 0.000000 2.407704 
1 1 1   17   36   22 o   19.742   2.7245   48.900   12.363   0.0000   0.0000   48.900   12.363  ?   ?    19.742   2.7245 0.000000 2.724494 
1 1 1   17   36   23 o   22.562   2.8442   64.100   14.817   0.0000   0.0000   64.100   14.817  ?   ?    22.562   2.8442 0.000000 2.844245 
1 1 1   17   36   24 o   9.9806   2.4107   12.700   5.6176   0.0000   0.0000   12.700   5.6176  ?   ?    9.9806   2.4107 0.000000 2.410705 
1 1 1   17   36   25 o   16.140   2.6266   33.100   9.6663   0.0000   0.0000   33.100   9.6663  ?   ?    16.140   2.6266 0.000000 2.626646 
1 1 1   17   36   26 o   9.2434   2.6865   11.000   6.2135   0.0000   0.0000   11.000   6.2135  ?   ?    9.2434   2.6865 0.000000 2.686468 
1 1 1   17   36   27 o   13.956   2.8800   25.700   9.1766   0.0000   0.0000   25.700   9.1766  ?   ?    13.956   2.8800 0.000000 2.880013 
1 1 1   17   36   28 o   13.010   2.5963   22.200   7.6968   0.0000   0.0000   22.200   7.6968  ?   ?    13.010   2.5963 0.000000 2.596269 
1 1 1   17   36   29 f   8.6248   2.4591   9.8000   5.2526   0.0000   0.0000   9.8000   5.2526  ?   ?    8.6248   2.4591 0.000000 2.459107 
1 1 1   17   36   30 o   4.5106   1.8695   0.9000   3.2614   0.0000   0.0000   0.9000   3.2614  ?   ?    4.5106   1.8695 0.000000 1.869488 
1 1 1   17   36   31 o   6.9839   2.3542   6.1000   4.6007   0.0000   0.0000   6.1000   4.6007  ?   ?    6.9839   2.3542 0.000000 2.354231 
1 1 1   17   36   32 o   4.1863   1.7906   0.2000   3.1460   0.0000   0.0000   0.2000   3.1460  ?   ?    4.1863   1.7906 0.000000 1.790583 
1 1 1   17   36   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   36   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   37    0 o   28.507   3.2223  101.300   20.977  101.300   20.977  101.300   20.977   28.507   3.2223   28.507   3.2223 0.000000 0.000000 
1 1 1   17   37    1 o   9.9858   2.1270   12.411   4.8618   6.0000   6.9370   18.600   6.8159   7.7932   2.8672   12.210   2.4492 -4.416873 3.770824 
1 1 1   17   37    2 o   18.508   1.9259   41.424   8.2936   32.400   11.954   49.800   11.516   15.982   3.2775   20.169   2.4696 -4.187390 4.103766 
1 1 1   17   37    3 o   31.512   2.2578  120.070   16.689  126.200   23.564  113.900   23.640   31.957   3.1641   30.258   3.3656 1.699556 4.619449 
1 1 1   17   37    4 f   15.370   1.7487   28.568   6.2338   34.700   8.8389   22.500   8.7930   16.832   2.2827   13.355   2.8735 3.477484 3.669784 
1 1 1   17   37    5 o   32.441   2.1768  127.076   16.579  106.000   22.992  149.900   23.927   29.143   3.4052   34.945   2.9267 -5.801117 4.490094 
1 1 1   17   37    6 o   9.8241   1.9701   11.968   4.4112   8.4000   6.3482   15.300   6.1342   8.4448   2.7631   11.050   2.4180 -2.605603 3.671666 
1 1 1   17   37    7 o   7.3792   2.0036   6.7487   3.5812   3.1000   4.6103   12.300   5.6866   6.0557   2.3139   9.8956   2.4473 -3.839861 3.367998 
1 1 1   17   37    8 o   5.1718   1.9486   2.3655   3.2407   3.0000   4.0935   1.3000   5.3043   5.8055   2.1894   5.7941   2.3914 0.1138878E-01 3.242267 
1 1 1   17   37    9 o   29.526   2.1738  105.513   15.049   95.300   21.297  115.700   21.269   27.599   3.3355   30.607   2.9806 -3.008228 4.473191 
1 1 1   17   37   10 o   12.239   1.8955   18.361   5.3011   13.700   6.8154   25.500   8.4345   10.417   2.7356   14.287   2.5958 -3.869884 3.771168 
1 1 1   17   37   11 o   35.345   2.4203  151.990   20.079  123.500   28.342  180.700   28.450   31.086   3.9502   38.154   3.1870 -7.067978 5.075499 
1 1 1   17   37   12 o   25.977   3.0750   84.200   18.497   0.0000   0.0000   84.200   18.497  ?   ?    25.977   3.0750 0.000000 3.074981 
1 1 1   17   37   13 o   11.121   2.6975   15.700   7.0111   0.0000   0.0000   15.700   7.0111  ?   ?    11.121   2.6975 0.000000 2.697458 
1 1 1   17   37   14 o   21.377   2.7931   56.900   13.762   0.0000   0.0000   56.900   13.762  ?   ?    21.377   2.7931 0.000000 2.793146 
1 1 1   17   37   15 o   40.050   3.9120  206.000   36.524   0.0000   0.0000  206.000   36.524  ?   ?    40.050   3.9120 0.000000 3.911968 
1 1 1   17   37   16 o   57.639   5.5032  458.600   73.992   0.0000   0.0000  458.600   73.992  ?   ?    57.639   5.5032 0.000000 5.503222 
1 1 1   17   37   17 o   7.0985   2.2041   6.1000   4.0819   0.0000   0.0000   6.1000   4.0819  ?   ?    7.0985   2.2041 0.000000 2.204058 
1 1 1   17   37   18 o   18.239   2.6717   41.600   11.166   0.0000   0.0000   41.600   11.166  ?   ?    18.239   2.6717 0.000000 2.671734 
1 1 1   17   37   19 f   12.149   2.5535   18.700   7.0928   0.0000   0.0000   18.700   7.0928  ?   ?    12.149   2.5535 0.000000 2.553515 
1 1 1   17   37   20 o   20.745   2.7818   54.000   13.284   0.0000   0.0000   54.000   13.284  ?   ?    20.745   2.7818 0.000000 2.781801 
1 1 1   17   37   21 o   7.1623   2.2634   6.2000   4.2845   0.0000   0.0000   6.2000   4.2845  ?   ?    7.1623   2.2634 0.000000 2.263363 
1 1 1   17   37   22 o   3.3897   1.5033  -0.8000   2.3943   0.0000   0.0000  -0.8000   2.3943  ?   ?    3.3897   1.5033 0.000000 1.503256 
1 1 1   17   37   23 o   20.262   2.7235   51.900   12.701   0.0000   0.0000   51.900   12.701  ?   ?    20.262   2.7235 0.000000 2.723460 
1 1 1   17   37   24 o   13.860   2.5879   24.600   8.1585   0.0000   0.0000   24.600   8.1585  ?   ?    13.860   2.5879 0.000000 2.587906 
1 1 1   17   37   25 o   5.8118   2.1461   3.4000   3.8925   0.0000   0.0000   3.4000   3.8925  ?   ?    5.8118   2.1461 0.000000 2.146129 
1 1 1   17   37   26 o   18.571   2.8399   45.100   12.058   0.0000   0.0000   45.100   12.058  ?   ?    18.571   2.8399 0.000000 2.839914 
1 1 1   17   37   27 o   12.655   2.5848   21.100   7.4632   0.0000   0.0000   21.100   7.4632  ?   ?    12.655   2.5848 0.000000 2.584787 
1 1 1   17   37   28 o   2.8801   1.3565  -2.5000   2.3839   0.0000   0.0000  -2.5000   2.3839  ?   ?    2.8801   1.3565 0.000000 1.356526 
1 1 1   17   37   29 o   9.7656   2.7724   13.000   6.6910   0.0000   0.0000   13.000   6.6910  ?   ?    9.7656   2.7724 0.000000 2.772354 
1 1 1   17   37   30 o   7.6136   2.6449   7.3000   5.8173   0.0000   0.0000   7.3000   5.8173  ?   ?    7.6136   2.6449 0.000000 2.644950 
1 1 1   17   37   31 o   9.2039   2.8483   11.700   6.8233   0.0000   0.0000   11.700   6.8233  ?   ?    9.2039   2.8483 0.000000 2.848300 
1 1 1   17   37   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   37   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   38    0 o   6.0117   3.1842   6.3000   6.0682   6.3000   6.0682   6.3000   6.0682   6.0117   3.1842   6.0117   3.1842 0.000000 0.000000 
1 1 1   17   38    1 o   5.7462   1.8648   3.8330   2.8937   2.4000   3.9461   5.5000   4.2560   5.5141   2.1321   6.8867   2.2628 -1.372586 3.109020 
1 1 1   17   38    2 o   23.951   2.0432   69.381   11.445   70.000   16.447   68.800   15.937   23.741   3.0007   23.561   2.9277 0.1798515 4.192288 
1 1 1   17   38    3 o   51.960   3.2219  333.727   39.337  344.600   55.820  323.000   55.443   51.603   4.6302   49.817   4.7715 1.785957 6.648729 
1 1 1   17   38    4 o   5.7175   2.0435   3.3702   3.4909   8.8000   4.4420  -5.4000   5.6453   8.3957   2.2103   4.5329   2.1199 3.862799 3.062527 
1 1 1   17   38    5 o   20.625   1.8483   51.352   8.9064   35.100   12.484   68.200   12.711   16.597   3.3015   23.661   2.3042 -7.063782 4.026036 
1 1 1   17   38    6 o   6.3684   2.0524   4.7556   3.5098   6.7000   4.3239   1.0000   6.0093   7.4276   2.2619   6.0309   2.5218 1.396736 3.387568 
1 1 1   17   38    7 o   19.105   1.9164   44.228   8.5294   50.600   11.860   37.400   12.276   20.266   2.5335   17.182   3.1414 3.084326 4.035728 
1 1 1   17   38    8 o   18.523   1.7551   41.444   7.5853   32.300   10.318   52.200   11.190   16.031   2.8290   20.643   2.3367 -4.612537 3.669231 
1 1 1   17   38    9 o   13.105   2.0127   21.118   6.0291   24.300   8.2134   17.400   8.8782   13.918   2.5945   11.665   3.1495 2.253538 4.080521 
1 1 1   17   38   10 o   49.468   4.6500  321.400   53.679   0.0000   0.0000  321.400   53.679  ?   ?    49.468   4.6500 0.000000 4.649952 
1 1 1   17   38   11 o   11.853   2.6463   17.800   7.2191   0.0000   0.0000   17.800   7.2191  ?   ?    11.853   2.6463 0.000000 2.646252 
1 1 1   17   38   12 o   10.217   2.9424   13.200   7.4845   0.0000   0.0000   13.200   7.4845  ?   ?    10.217   2.9424 0.000000 2.942410 
1 1 1   17   38   13 o   29.159   3.2585  107.100   22.052   0.0000   0.0000  107.100   22.052  ?   ?    29.159   3.2585 0.000000 3.258467 
1 1 1   17   38   14 o   7.2322   2.7413   4.8000   6.4382   0.0000   0.0000   4.8000   6.4382  ?   ?    7.2322   2.7413 0.000000 2.741341 
1 1 1   17   38   15 o   37.458   3.7797  180.000   32.975   0.0000   0.0000  180.000   32.975  ?   ?    37.458   3.7797 0.000000 3.779675 
1 1 1   17   38   16 o   32.534   3.4867  134.600   26.369   0.0000   0.0000  134.600   26.369  ?   ?    32.534   3.4867 0.000000 3.486701 
1 1 1   17   38   17 o   13.168   2.6648   22.000   8.0018   0.0000   0.0000   22.000   8.0018  ?   ?    13.168   2.6648 0.000000 2.664839 
1 1 1   17   38   18 o   25.920   2.9883   84.500   17.955   0.0000   0.0000   84.500   17.955  ?   ?    25.920   2.9883 0.000000 2.988311 
1 1 1   17   38   19 o   10.856   2.4988   15.000   6.2727   0.0000   0.0000   15.000   6.2727  ?   ?    10.856   2.4988 0.000000 2.498789 
1 1 1   17   38   20 o   14.299   2.5991   25.900   8.4527   0.0000   0.0000   25.900   8.4527  ?   ?    14.299   2.5991 0.000000 2.599123 
1 1 1   17   38   21 o   24.165   2.9541   74.200   16.506   0.0000   0.0000   74.200   16.506  ?   ?    24.165   2.9541 0.000000 2.954060 
1 1 1   17   38   22 o   25.525   3.0073   83.400   17.778   0.0000   0.0000   83.400   17.778  ?   ?    25.525   3.0073 0.000000 3.007264 
1 1 1   17   38   23 o   23.802   2.9606   73.100   16.280   0.0000   0.0000   73.100   16.280  ?   ?    23.802   2.9606 0.000000 2.960556 
1 1 1   17   38   24 o   5.6288   2.1256   3.0000   3.8616   0.0000   0.0000   3.0000   3.8616  ?   ?    5.6288   2.1256 0.000000 2.125592 
1 1 1   17   38   25 o   8.7774   2.7258  10.0000   6.2429   0.0000   0.0000  10.0000   6.2429  ?   ?    8.7774   2.7258 0.000000 2.725816 
1 1 1   17   38   26 o   9.8557   2.8478   13.100   7.0005   0.0000   0.0000   13.100   7.0005  ?   ?    9.8557   2.8478 0.000000 2.847821 
1 1 1   17   38   27 o   7.6021   2.4431   7.4000   4.9759   0.0000   0.0000   7.4000   4.9759  ?   ?    7.6021   2.4431 0.000000 2.443091 
1 1 1   17   38   28 o   16.931   2.9482   39.200   11.359   0.0000   0.0000   39.200   11.359  ?   ?    16.931   2.9482 0.000000 2.948174 
1 1 1   17   38   29 f   17.186   2.8785   40.400   11.269   0.0000   0.0000   40.400   11.269  ?   ?    17.186   2.8785 0.000000 2.878505 
1 1 1   17   38   30 o   3.6366   1.6741  -2.2000   3.3154   0.0000   0.0000  -2.2000   3.3154  ?   ?    3.6366   1.6741 0.000000 1.674078 
1 1 1   17   38   31 o   6.8481   2.3193   5.9000   4.4654   0.0000   0.0000   5.9000   4.4654  ?   ?    6.8481   2.3193 0.000000 2.319315 
1 1 1   17   39    0 o   35.776   3.5808  160.000   29.555  160.000   29.555  160.000   29.555   35.776   3.5808   35.776   3.5808 0.000000 0.000000 
1 1 1   17   39    1 o   17.522   1.9063   37.286   7.7604   45.000   11.216   30.200   10.749   19.076   2.5539   15.411   3.0616 3.665008 3.986929 
1 1 1   17   39    2 o   19.656   1.8859   46.792   8.6458   45.300   12.003   48.400   12.464   19.075   2.7436   19.726   2.7508 -0.6504135 3.885184 
1 1 1   17   39    3 o   20.323   1.8837   49.993   8.9370   43.700   12.632   56.300   12.646   18.648   2.9681   21.367   2.5572 -2.719017 3.917757 
1 1 1   17   39    4 f   38.115   2.6227  177.971   23.461  163.500   33.320  192.200   33.041   35.670   4.0263   38.988   3.6305 -3.318195 5.421401 
1 1 1   17   39    5 o   18.832   1.8742   42.983   8.2236   25.200   11.091   64.700   12.256   13.959   3.3968   23.014   2.2855 -9.054597 4.094169 
1 1 1   17   39    6 o   11.997   1.9395   17.722   5.3067   5.2000   7.5419   30.000   7.4682   7.6989   2.9553   15.648   2.0721 -7.948883 3.609392 
1 1 1   17   39    7 o   26.290   3.0883   86.500   18.807   0.0000   0.0000   86.500   18.807  ?   ?    26.290   3.0883 0.000000 3.088267 
1 1 1   17   39    8 o   16.858   2.7228   35.600   10.469   0.0000   0.0000   35.600   10.469  ?   ?    16.858   2.7228 0.000000 2.722837 
1 1 1   17   39    9 o   21.569   2.9908   58.400   14.823   0.0000   0.0000   58.400   14.823  ?   ?    21.569   2.9908 0.000000 2.990819 
1 1 1   17   39   10 o   10.843   2.9379   15.000   7.7093   0.0000   0.0000   15.000   7.7093  ?   ?    10.843   2.9379 0.000000 2.937886 
1 1 1   17   39   11 o   18.691   2.9795   44.100   12.709   0.0000   0.0000   44.100   12.709  ?   ?    18.691   2.9795 0.000000 2.979489 
1 1 1   17   39   12 o   31.792   3.3151  127.500   24.521   0.0000   0.0000  127.500   24.521  ?   ?    31.792   3.3151 0.000000 3.315085 
1 1 1   17   39   13 o   13.840   2.6671   24.200   8.4002   0.0000   0.0000   24.200   8.4002  ?   ?    13.840   2.6671 0.000000 2.667130 
1 1 1   17   39   14 o   5.0843   2.0896   1.1000   4.0288   0.0000   0.0000   1.1000   4.0288  ?   ?    5.0843   2.0896 0.000000 2.089626 
1 1 1   17   39   15 o   14.891   2.8328   28.200   9.5973   0.0000   0.0000   28.200   9.5973  ?   ?    14.891   2.8328 0.000000 2.832793 
1 1 1   17   39   16 o   10.440   2.5922   13.900   6.3614   0.0000   0.0000   13.900   6.3614  ?   ?    10.440   2.5922 0.000000 2.592249 
1 1 1   17   39   17 o   12.739   2.4665   20.500   7.1517   0.0000   0.0000   20.500   7.1517  ?   ?    12.739   2.4665 0.000000 2.466518 
1 1 1   17   39   18 o   6.7912   2.1925   5.5000   4.0039   0.0000   0.0000   5.5000   4.0039  ?   ?    6.7912   2.1925 0.000000 2.192474 
1 1 1   17   39   19 o   6.0805   2.2598   3.6000   4.3294   0.0000   0.0000   3.6000   4.3294  ?   ?    6.0805   2.2598 0.000000 2.259769 
1 1 1   17   39   20 o   14.136   2.6455   25.600   8.5059   0.0000   0.0000   25.600   8.5059  ?   ?    14.136   2.6455 0.000000 2.645465 
1 1 1   17   39   21 o   23.308   2.9463   70.000   15.854   0.0000   0.0000   70.000   15.854  ?   ?    23.308   2.9463 0.000000 2.946343 
1 1 1   17   39   22 o   22.699   2.9121   66.900   15.249   0.0000   0.0000   66.900   15.249  ?   ?    22.699   2.9121 0.000000 2.912085 
1 1 1   17   39   23 f   10.660   2.6342   15.000   6.5924   0.0000   0.0000   15.000   6.5924  ?   ?    10.660   2.6342 0.000000 2.634161 
1 1 1   17   39   24 o   8.7684   2.4875   10.100   5.3887   0.0000   0.0000   10.100   5.3887  ?   ?    8.7684   2.4875 0.000000 2.487536 
1 1 1   17   39   25 o   11.360   2.7895   17.500   7.4279   0.0000   0.0000   17.500   7.4279  ?   ?    11.360   2.7895 0.000000 2.789486 
1 1 1   17   39   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   39   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   39   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   39   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   39   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   40    0 o   8.1983   3.4763   11.500   6.8209   11.500   6.8209   11.500   6.8209   8.1983   3.4763   8.1983   3.4763 0.000000 0.000000 
1 1 1   17   40    1 o   29.263   2.1604  104.041   14.823   89.400   20.922  118.800   21.005   26.557   3.4153   30.938   2.9094 -4.380812 4.486499 
1 1 1   17   40    2 o   6.6394   2.1397   5.2033   3.8147   3.3000   5.8636   6.6000   5.0230   6.5890   2.5846   7.4907   2.4581 -0.9016519 3.566838 
1 1 1   17   40    3 o   24.710   2.0799   74.176   12.023   58.900   16.962   89.600   17.044   21.460   3.4653   26.919   2.7186 -5.459312 4.404470 
1 1 1   17   40    4 o   3.3721   1.5404  -1.8000   2.7347   0.0000   0.0000  -1.8000   2.7347  ?   ?    3.3721   1.5404 0.000000 1.540386 
1 1 1   17   40    5 f   31.133   3.3187  122.100   24.022   0.0000   0.0000  122.100   24.022  ?   ?    31.133   3.3187 0.000000 3.318686 
1 1 1   17   40    6 o   24.351   3.0223   74.300   17.005   0.0000   0.0000   74.300   17.005  ?   ?    24.351   3.0223 0.000000 3.022320 
1 1 1   17   40    7 o   20.578   2.8610   53.000   13.526   0.0000   0.0000   53.000   13.526  ?   ?    20.578   2.8610 0.000000 2.860970 
1 1 1   17   40    8 o   17.114   2.9815   37.100   11.611   0.0000   0.0000   37.100   11.611  ?   ?    17.114   2.9815 0.000000 2.981529 
1 1 1   17   40    9 o   15.676   2.8579   31.100   10.189   0.0000   0.0000   31.100   10.189  ?   ?    15.676   2.8579 0.000000 2.857948 
1 1 1   17   40   10 o   6.4561   2.3317   4.3000   4.5577   0.0000   0.0000   4.3000   4.5577  ?   ?    6.4561   2.3317 0.000000 2.331739 
1 1 1   17   40   11 o   31.368   3.3639  124.700   24.528   0.0000   0.0000  124.700   24.528  ?   ?    31.368   3.3639 0.000000 3.363910 
1 1 1   17   40   12 o   10.084   2.9331   12.900   7.4042   0.0000   0.0000   12.900   7.4042  ?   ?    10.084   2.9331 0.000000 2.933116 
1 1 1   17   40   13 o   13.332   2.7968   22.700   8.5240   0.0000   0.0000   22.700   8.5240  ?   ?    13.332   2.7968 0.000000 2.796767 
1 1 1   17   40   14 o   15.679   2.8660   31.300   10.220   0.0000   0.0000   31.300   10.220  ?   ?    15.679   2.8660 0.000000 2.866008 
1 1 1   17   40   15 f   13.127   3.0046   22.300   9.1123   0.0000   0.0000   22.300   9.1123  ?   ?    13.127   3.0046 0.000000 3.004635 
1 1 1   17   40   16 o   44.128   4.3863  262.200   45.101   0.0000   0.0000  262.200   45.101  ?   ?    44.128   4.3863 0.000000 4.386349 
1 1 1   17   40   17 o   19.168   2.9730   47.100   13.020   0.0000   0.0000   47.100   13.020  ?   ?    19.168   2.9730 0.000000 2.973008 
1 1 1   17   40   18 o  ?   ?  -14.2000   2.7708   0.0000   0.0000 -14.2000   2.7708  ?   ?   ?   ?  0.000000      ? 
1 1 1   17   40   19 o   19.516   2.9270   49.300   13.073   0.0000   0.0000   49.300   13.073  ?   ?    19.516   2.9270 0.000000 2.926968 
1 1 1   17   40   20 o   15.200   3.0494   30.700   10.565   0.0000   0.0000   30.700   10.565  ?   ?    15.200   3.0494 0.000000 3.049396 
1 1 1   17   40   21 o   12.987   2.7739   22.300   8.2483   0.0000   0.0000   22.300   8.2483  ?   ?    12.987   2.7739 0.000000 2.773942 
1 1 1   17   40   22 o   16.486   2.9644   36.400   11.116   0.0000   0.0000   36.400   11.116  ?   ?    16.486   2.9644 0.000000 2.964354 
1 1 1   17   40   23 o   21.920   3.0494   64.700   15.357   0.0000   0.0000   64.700   15.357  ?   ?    21.920   3.0494 0.000000 3.049390 
1 1 1   17   40   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   40   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   40   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   40   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   40   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   41    0 o   40.920   3.9353  210.900   37.218  210.900   37.218  210.900   37.218   40.920   3.9353   40.920   3.9353 0.000000 0.000000 
1 1 1   17   41    1 o   32.000   3.4087  129.500   25.361   0.0000   0.0000  129.500   25.361  ?   ?    32.000   3.4087 0.000000 3.408743 
1 1 1   17   41    2 o   20.302   2.7936   51.500   13.038   0.0000   0.0000   51.500   13.038  ?   ?    20.302   2.7936 0.000000 2.793557 
1 1 1   17   41    3 o   21.067   2.9297   55.700   14.180   0.0000   0.0000   55.700   14.180  ?   ?    21.067   2.9297 0.000000 2.929685 
1 1 1   17   41    4 o   15.056   2.7265   28.600   9.3366   0.0000   0.0000   28.600   9.3366  ?   ?    15.056   2.7265 0.000000 2.726542 
1 1 1   17   41    5 o   22.784   3.0207   65.300   15.851   0.0000   0.0000   65.300   15.851  ?   ?    22.784   3.0207 0.000000 3.020708 
1 1 1   17   41    6 o   7.7873   2.5476   7.2000   5.3968   0.0000   0.0000   7.2000   5.3968  ?   ?    7.7873   2.5476 0.000000 2.547596 
1 1 1   17   41    7 o   10.796   3.0715   14.900   8.2037   0.0000   0.0000   14.900   8.2037  ?   ?    10.796   3.0715 0.000000 3.071522 
1 1 1   17   41    8 f   10.960   3.0906   15.400   8.3443   0.0000   0.0000   15.400   8.3443  ?   ?    10.960   3.0906 0.000000 3.090640 
1 1 1   17   41    9 o   9.0421   2.5682   10.300   5.7406   0.0000   0.0000   10.300   5.7406  ?   ?    9.0421   2.5682 0.000000 2.568247 
1 1 1   17   41   10 o   6.4828   2.5074   3.5000   5.4591   0.0000   0.0000   3.5000   5.4591  ?   ?    6.4828   2.5074 0.000000 2.507400 
1 1 1   17   41   11 o   23.124   3.0172   67.600   16.083   0.0000   0.0000   67.600   16.083  ?   ?    23.124   3.0172 0.000000 3.017242 
1 1 1   17   41   12 o   43.348   4.2725  249.900   43.165   0.0000   0.0000  249.900   43.165  ?   ?    43.348   4.2725 0.000000 4.272498 
1 1 1   17   41   13 o   19.420   2.7836   47.700   12.400   0.0000   0.0000   47.700   12.400  ?   ?    19.420   2.7836 0.000000 2.783575 
1 1 1   17   41   14 o   12.771   2.7368   21.000   8.0053   0.0000   0.0000   21.000   8.0053  ?   ?    12.771   2.7368 0.000000 2.736826 
1 1 1   17   41   15 o   32.868   3.5592  141.500   27.183   0.0000   0.0000  141.500   27.183  ?   ?    32.868   3.5592 0.000000 3.559174 
1 1 1   17   41   16 o   10.350   2.6200   13.900   6.4092   0.0000   0.0000   13.900   6.4092  ?   ?    10.350   2.6200 0.000000 2.619972 
1 1 1   17   41   17 o   14.571   2.6976   27.500   8.9396   0.0000   0.0000   27.500   8.9396  ?   ?    14.571   2.6976 0.000000 2.697587 
1 1 1   17   41   18 o   22.041   2.9495   63.400   14.967   0.0000   0.0000   63.400   14.967  ?   ?    22.041   2.9495 0.000000 2.949538 
1 1 1   17   41   19 o   26.689   3.3162   95.600   20.449   0.0000   0.0000   95.600   20.449  ?   ?    26.689   3.3162 0.000000 3.316185 
1 1 1   17   41   20 o   14.817   3.0352   29.700   10.263   0.0000   0.0000   29.700   10.263  ?   ?    14.817   3.0352 0.000000 3.035202 
1 1 1   17   41   21 o   14.110   2.9934   27.100   9.6649   0.0000   0.0000   27.100   9.6649  ?   ?    14.110   2.9934 0.000000 2.993418 
1 1 1   17   41   22 o   18.847   2.9128   47.700   12.545   0.0000   0.0000   47.700   12.545  ?   ?    18.847   2.9128 0.000000 2.912762 
1 1 1   17   41   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   41   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   41   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   41   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   41   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42    4 o   31.356   3.4186  125.300   24.902   0.0000   0.0000  125.300   24.902  ?   ?    31.356   3.4186 0.000000 3.418612 
1 1 1   17   42    5 o   31.498   3.3894  126.400   24.812   0.0000   0.0000  126.400   24.812  ?   ?    31.498   3.3894 0.000000 3.389359 
1 1 1   17   42    6 o   6.5003   2.6334   2.5000   6.2871   0.0000   0.0000   2.5000   6.2871  ?   ?    6.5003   2.6334 0.000000 2.633439 
1 1 1   17   42    7 o   11.525   3.0235   17.200   8.3308   0.0000   0.0000   17.200   8.3308  ?   ?    11.525   3.0235 0.000000 3.023481 
1 1 1   17   42    8 o   31.592   3.3499  127.700   24.609   0.0000   0.0000  127.700   24.609  ?   ?    31.592   3.3499 0.000000 3.349868 
1 1 1   17   42    9 o   15.715   3.0463   31.900   10.896   0.0000   0.0000   31.900   10.896  ?   ?    15.715   3.0463 0.000000 3.046298 
1 1 1   17   42   10 o   14.338   2.9526   26.600   9.6637   0.0000   0.0000   26.600   9.6637  ?   ?    14.338   2.9526 0.000000 2.952590 
1 1 1   17   42   11 o   15.675   2.6729   31.300   9.5391   0.0000   0.0000   31.300   9.5391  ?   ?    15.675   2.6729 0.000000 2.672931 
1 1 1   17   42   12 o   30.482   3.3462  120.700   23.689   0.0000   0.0000  120.700   23.689  ?   ?    30.482   3.3462 0.000000 3.346191 
1 1 1   17   42   13 o   22.399   3.1259   65.200   16.083   0.0000   0.0000   65.200   16.083  ?   ?    22.399   3.1259 0.000000 3.125920 
1 1 1   17   42   14 o   21.510   3.0553   60.300   15.082   0.0000   0.0000   60.300   15.082  ?   ?    21.510   3.0553 0.000000 3.055270 
1 1 1   17   42   15 o   21.569   3.0520   61.000   15.111   0.0000   0.0000   61.000   15.111  ?   ?    21.569   3.0520 0.000000 3.052043 
1 1 1   17   42   16 f   16.126   2.9131   34.300   10.684   0.0000   0.0000   34.300   10.684  ?   ?    16.126   2.9131 0.000000 2.913127 
1 1 1   17   42   17 o   20.584   3.0259   56.300   14.269   0.0000   0.0000   56.300   14.269  ?   ?    20.584   3.0259 0.000000 3.025900 
1 1 1   17   42   18 o   21.131   3.0601   59.800   14.825   0.0000   0.0000   59.800   14.825  ?   ?    21.131   3.0601 0.000000 3.060146 
1 1 1   17   42   19 o   6.8638   2.6497   4.6000   6.0872   0.0000   0.0000   4.6000   6.0872  ?   ?    6.8638   2.6497 0.000000 2.649687 
1 1 1   17   42   20 o   21.665   3.0094   63.300   14.980   0.0000   0.0000   63.300   14.980  ?   ?    21.665   3.0094 0.000000 3.009429 
1 1 1   17   42   21 o   15.177   3.0779   31.800   10.653   0.0000   0.0000   31.800   10.653  ?   ?    15.177   3.0779 0.000000 3.077916 
1 1 1   17   42   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   42   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43    8 o   27.874   3.4197  101.800   22.037   0.0000   0.0000  101.800   22.037  ?   ?    27.874   3.4197 0.000000 3.419694 
1 1 1   17   43    9 o   33.177   3.7060  146.900   28.538   0.0000   0.0000  146.900   28.538  ?   ?    33.177   3.7060 0.000000 3.706050 
1 1 1   17   43   10 o   19.836   2.8307   50.700   12.883   0.0000   0.0000   50.700   12.883  ?   ?    19.836   2.8307 0.000000 2.830688 
1 1 1   17   43   11 o   13.524   2.8129   24.000   8.6906   0.0000   0.0000   24.000   8.6906  ?   ?    13.524   2.8129 0.000000 2.812921 
1 1 1   17   43   12 o   14.061   2.9479   26.200   9.4753   0.0000   0.0000   26.200   9.4753  ?   ?    14.061   2.9479 0.000000 2.947912 
1 1 1   17   43   13 o   8.1333   2.8270   8.0000   6.6461   0.0000   0.0000   8.0000   6.6461  ?   ?    8.1333   2.8270 0.000000 2.826993 
1 1 1   17   43   14 o   2.5200   1.2758 -13.0000   3.7778   0.0000   0.0000 -13.0000   3.7778  ?   ?    2.5200   1.2758 0.000000 1.275844 
1 1 1   17   43   15 o   9.1035   3.0772   10.700   7.8604   0.0000   0.0000   10.700   7.8604  ?   ?    9.1035   3.0772 0.000000 3.077199 
1 1 1   17   43   16 o   18.425   3.0467   45.700   12.792   0.0000   0.0000   45.700   12.792  ?   ?    18.425   3.0467 0.000000 3.046669 
1 1 1   17   43   17 o   22.286   3.0649   66.900   15.702   0.0000   0.0000   66.900   15.702  ?   ?    22.286   3.0649 0.000000 3.064862 
1 1 1   17   43   18 o   11.986   3.0434   19.900   8.6294   0.0000   0.0000   19.900   8.6294  ?   ?    11.986   3.0434 0.000000 3.043391 
1 1 1   17   43   19 o   14.540   3.0568   29.200   10.162   0.0000   0.0000   29.200   10.162  ?   ?    14.540   3.0568 0.000000 3.056764 
1 1 1   17   43   20 o   9.1814   2.9443   11.400   7.2297   0.0000   0.0000   11.400   7.2297  ?   ?    9.1814   2.9443 0.000000 2.944259 
1 1 1   17   43   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   43   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   44   14 o   23.189   3.1879   73.000   16.995   0.0000   0.0000   73.000   16.995  ?   ?    23.189   3.1879 0.000000 3.187934 
1 1 1   17   44   15 o   24.002   3.1209   78.100   17.270   0.0000   0.0000   78.100   17.270  ?   ?    24.002   3.1209 0.000000 3.120871 
1 1 1   17   44   16 o   29.372   3.4850  120.700   23.699   0.0000   0.0000  120.700   23.699  ?   ?    29.372   3.4850 0.000000 3.485014 
1 1 1   17   44   17 o   10.937   2.7569   16.300   7.1177   0.0000   0.0000   16.300   7.1177  ?   ?    10.937   2.7569 0.000000 2.756883 
1 1 1   17   44   18 o   14.378   2.8699   28.100   9.4025   0.0000   0.0000   28.100   9.4025  ?   ?    14.378   2.8699 0.000000 2.869911 
1 1 1   17   44   19 o   8.3905   2.9490   9.0000   7.2418   0.0000   0.0000   9.0000   7.2418  ?   ?    8.3905   2.9490 0.000000 2.949018 
1 1 1   17   44   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   45   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   46   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   17   47   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0    0 o  153.027   11.962  2840.50  426.182  2840.50  426.182  2840.50  426.182  153.027   11.962  153.027   11.962 0.000000 0.000000 
1 1 1   18    0    1 o   48.517   2.9401  281.284   33.400  281.284   33.400  281.284   33.400   48.517   2.9401   48.517   2.9401 0.000000 0.000000 
1 1 1   18    0    2 f   6.8563   2.7521   7.7000   4.3322   7.7000   4.3322   7.7000   4.3322   6.8563   2.7521   6.8563   2.7521 0.000000 0.000000 
1 1 1   18    0    3 o   33.646   2.3147  135.639   18.191  135.639   18.191  135.639   18.191   33.646   2.3147   33.646   2.3147 0.000000 0.000000 
1 1 1   18    0    4 o  140.642   7.5612  2373.79  249.453  2373.79  249.453  2373.79  249.453  140.642   7.5612  140.642   7.5612 0.000000 0.000000 
1 1 1   18    0    5 o   25.496   1.9551   78.133   11.611   78.133   11.611   78.133   11.611   25.496   1.9551   25.496   1.9551 0.000000 0.000000 
1 1 1   18    0    6 o  262.149   13.598  8397.70  836.561  8397.70  836.561  8397.70  836.561  262.149   13.598  262.149   13.598 0.000000 0.000000 
1 1 1   18    0    7 o  126.347   6.8775  1915.00  203.803  1915.00  203.803  1915.00  203.803  126.347   6.8775  126.347   6.8775 0.000000 0.000000 
1 1 1   18    0    8 o  282.467   15.402  9860.91  1020.36  9860.91  1020.36  9860.91  1020.36  282.467   15.402  282.467   15.402 0.000000 0.000000 
1 1 1   18    0    9 o   77.508   4.4009  718.472   79.953  718.472   79.953  718.472   79.953   77.508   4.4009   77.508   4.4009 0.000000 0.000000 
1 1 1   18    0   10 o  158.691   8.6254  3039.81  321.035  3039.81  321.035  3039.81  321.035  158.691   8.6254  158.691   8.6254 0.000000 0.000000 
1 1 1   18    0   11 o  126.767   6.8535  1931.24  203.784  1931.24  203.784  1931.24  203.784  126.767   6.8535  126.767   6.8535 0.000000 0.000000 
1 1 1   18    0   12 o   74.227   4.2191  659.215   73.404  659.215   73.404  659.215   73.404   74.227   4.2191   74.227   4.2191 0.000000 0.000000 
1 1 1   18    0   13 o  195.588   10.561  4671.73  484.502  4671.73  484.502  4671.73  484.502  195.588   10.561  195.588   10.561 0.000000 0.000000 
1 1 1   18    0   14 o   56.125   3.3396  376.890   43.901  376.890   43.901  376.890   43.901   56.125   3.3396   56.125   3.3396 0.000000 0.000000 
1 1 1   18    0   15 o   39.158   2.5769  183.708   23.591  183.708   23.591  183.708   23.591   39.158   2.5769   39.158   2.5769 0.000000 0.000000 
1 1 1   18    0   16 o   44.376   2.7673  235.747   28.740  235.747   28.740  235.747   28.740   44.376   2.7673   44.376   2.7673 0.000000 0.000000 
1 1 1   18    0   17 o   95.002   5.2949  1085.58  117.939  1085.58  117.939  1085.58  117.939   95.002   5.2949   95.002   5.2949 0.000000 0.000000 
1 1 1   18    0   18 o   48.270   2.9599  279.068   33.448  279.068   33.448  279.068   33.448   48.270   2.9599   48.270   2.9599 0.000000 0.000000 
1 1 1   18    0   19 o   7.6666   2.0456   8.2704   3.2000   8.2704   3.2000   8.2704   3.2000   7.6666   2.0456   7.6666   2.0456 0.000000 0.000000 
1 1 1   18    0   20 o   79.044   4.4784  751.423   82.977  751.423   82.977  751.423   82.977   79.044   4.4784   79.044   4.4784 0.000000 0.000000 
1 1 1   18    0   21 o   64.120   3.7031  493.482   55.641  493.482   55.641  493.482   55.641   64.120   3.7031   64.120   3.7031 0.000000 0.000000 
1 1 1   18    0   22 o   17.915   1.7560   39.032   7.2647   39.032   7.2647   39.032   7.2647   17.915   1.7560   17.915   1.7560 0.000000 0.000000 
1 1 1   18    0   23 o   75.469   4.3010  685.958   76.079  685.958   76.079  685.958   76.079   75.469   4.3010   75.469   4.3010 0.000000 0.000000 
1 1 1   18    0   24 o   3.3536   1.8696   1.8000   2.2025   1.8000   2.2025   1.8000   2.2025   3.3536   1.8696   3.3536   1.8696 0.000000 0.000000 
1 1 1   18    0   25 o  136.648   7.3838  2301.25  236.669  2301.25  236.669  2301.25  236.669  136.648   7.3838  136.648   7.3838 0.000000 0.000000 
1 1 1   18    0   26 o   15.709   2.7433   31.800   9.2472   31.800   9.2472   31.800   9.2472   15.709   2.7433   15.709   2.7433 0.000000 0.000000 
1 1 1   18    0   27 o   38.507   3.6742  181.600   32.710  181.600   32.710  181.600   32.710   38.507   3.6742   38.507   3.6742 0.000000 0.000000 
1 1 1   18    0   28 o   18.970   2.7790   45.400   11.666   45.400   11.666   45.400   11.666   18.970   2.7790   18.970   2.7790 0.000000 0.000000 
1 1 1   18    0   29 o   41.703   3.8690  213.700   37.347  213.700   37.347  213.700   37.347   41.703   3.8690   41.703   3.8690 0.000000 0.000000 
1 1 1   18    0   30 f   25.890   2.9674   83.000   17.525   83.000   17.525   83.000   17.525   25.890   2.9674   25.890   2.9674 0.000000 0.000000 
1 1 1   18    0   31 o   23.644   2.8809   69.600   15.447   69.600   15.447   69.600   15.447   23.644   2.8809   23.644   2.8809 0.000000 0.000000 
1 1 1   18    0   32 o   21.798   2.8276   59.500   13.879   59.500   13.879   59.500   13.879   21.798   2.8276   21.798   2.8276 0.000000 0.000000 
1 1 1   18    0   33 o   18.843   2.8013   45.100   11.654   45.100   11.654   45.100   11.654   18.843   2.8013   18.843   2.8013 0.000000 0.000000 
1 1 1   18    0   34 o   80.934   7.0796  859.400  132.920  859.400  132.920  859.400  132.920   80.934   7.0796   80.934   7.0796 0.000000 0.000000 
1 1 1   18    0   35 o   10.779   2.9910   16.700   6.5851   16.700   6.5851   16.700   6.5851   10.779   2.9910   10.779   2.9910 0.000000 0.000000 
1 1 1   18    0   36 o   39.215   3.7785  191.600   34.244  191.600   34.244  191.600   34.244   39.215   3.7785   39.215   3.7785 0.000000 0.000000 
1 1 1   18    0   37 o   5.6844   3.0973   5.5000   5.8919   5.5000   5.8919   5.5000   5.8919   5.6844   3.0973   5.6844   3.0973 0.000000 0.000000 
1 1 1   18    0   38 o   27.330   3.2175   93.900   20.009   93.900   20.009   93.900   20.009   27.330   3.2175   27.330   3.2175 0.000000 0.000000 
1 1 1   18    0   39 o   50.573   4.6722  327.500   54.700  327.500   54.700  327.500   54.700   50.573   4.6722   50.573   4.6722 0.000000 0.000000 
1 1 1   18    0   40 o   1.5950   1.1467  -3.6000   2.0999  -3.6000   2.0999  -3.6000   2.0999   1.5950   1.1467   1.5950   1.1467 0.000000 0.000000 
1 1 1   18    0   41 o   28.512   3.2479  103.100   21.134  103.100   21.134  103.100   21.134   28.512   3.2479   28.512   3.2479 0.000000 0.000000 
1 1 1   18    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    0   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1    0 o   34.605   3.3802  145.600   27.017  145.600   27.017  145.600   27.017   34.605   3.3802   34.605   3.3802 0.000000 0.000000 
1 1 1   18    1    1 o  129.300   6.9926  2005.09  212.708  1914.60  300.792  2095.60  300.838  125.224   10.262  131.239   9.7777 -6.014954 14.17462 
1 1 1   18    1    2 o   94.862   5.2892  1073.67  118.009  1153.40  166.763  993.700  167.018   97.892   7.2661   90.666   7.8794 7.225204 10.71827 
1 1 1   18    1    3 o  148.070   8.0062  2640.84  278.893  2708.20  394.454  2573.50  394.373  148.499   11.335  144.584   11.650 3.915390 16.25403 
1 1 1   18    1    4 o   24.896   1.9431   73.704   11.333   77.000   16.018   70.400   16.036   25.368   2.7162   24.224   2.8584 1.143362 3.943169 
1 1 1   18    1    5 o   52.977   3.1586  333.480   39.333  372.600   55.604  294.300   55.647   55.874   4.2462   49.533   4.8185 6.341187 6.422500 
1 1 1   18    1    6 o   68.998   3.9365  566.487   63.871  619.100   90.295  513.800   90.359   71.914   5.3556   65.370   5.9178 6.543587 7.981461 
1 1 1   18    1    7 o  129.129   6.8804  2002.82  209.040  2336.30  295.727  1669.80  295.527  138.642   9.0833  116.366   10.881 22.27589 14.17418 
1 1 1   18    1    8 f  146.615   8.0601  2598.84  277.978  2786.80  392.968  2410.60  393.272  150.262   11.155  139.173   12.087 11.08891 16.44741 
1 1 1   18    1    9 o  144.618   8.0496  2531.99  273.800  2632.90  386.476  2430.30  387.950  145.751   11.318  139.669   11.876 6.082352 16.40506 
1 1 1   18    1   10 o   21.493   1.8310   55.004   9.2042   57.100   13.004   52.900   13.029   21.814   2.5741   20.968   2.6937 0.8462944 3.725902 
1 1 1   18    1   11 o   48.627   2.8660  281.051   32.763  343.600   46.352  218.600   46.316   53.679   3.6790   42.595   4.6821 11.08382 5.954570 
1 1 1   18    1   12 o  127.849   6.9436  1974.99  208.839  2224.50  295.376  1725.60  295.310  134.481   9.3598  117.609   10.752 16.87206 14.25558 
1 1 1   18    1   13 o   66.131   3.7883  521.472   58.911  541.100   83.265  501.800   83.360   67.058   5.3016   64.508   5.5258 2.549774 7.657765 
1 1 1   18    1   14 f   38.245   2.5065  173.984   22.511  201.900   31.816  146.000   31.855   41.107   3.3056   34.809   3.9451 6.298168 5.146899 
1 1 1   18    1   15 o  129.572   7.2494  2046.82  220.916  2322.10  312.327  1771.20  312.519  136.322   9.7672  117.825   11.374 18.49722 14.99207 
1 1 1   18    1   16 o   52.632   3.0986  330.132   38.341  378.300   54.232  282.000   54.212   56.164   4.1179   48.296   4.8178 7.867920 6.337855 
1 1 1   18    1   17 o   14.058   1.6256   23.687   5.2968   27.600   7.5034   19.800   7.4782   15.113   2.1643   12.693   2.5828 2.419970 3.369775 
1 1 1   18    1   18 o  101.925   5.5885  1258.53  133.992  1385.90  189.546  1131.30  189.439  105.834   7.6358   95.028   8.5331 10.80577 11.45074 
1 1 1   18    1   19 o  166.071   9.5240  3508.00  371.926  3750.60  525.869  3265.20  526.096  165.837   13.547  152.816   14.763 13.02063 20.03673 
1 1 1   18    1   20 o   19.803   1.7109   46.770   7.9222   53.200   11.275   40.500   11.134   21.052   2.3058   18.275   2.6579 2.777111 3.518710 
1 1 1   18    1   21 o   19.915   1.7682   47.338   8.2287   50.900   11.657   43.800   11.617   20.560   2.4494   19.014   2.6602 1.545647 3.616117 
1 1 1   18    1   22 o  129.117   7.3289  2085.35  222.533  2290.00  314.667  1880.60  314.751  131.977   10.175  117.992   11.440 13.98506 15.31090 
1 1 1   18    1   23 o   53.839   3.2045  347.414   40.555  371.100   57.337  323.700   57.370   55.284   4.4293   51.495   4.7722 3.789528 6.510977 
1 1 1   18    1   24 o   56.664   3.3482  385.566   44.601  406.900   63.052  364.200   63.100   57.771   4.6617   54.524   4.9550 3.246777 6.803184 
1 1 1   18    1   25 o   3.7281   1.2946   1.4684   1.3937   1.9000   2.0539   1.1000   1.8974   4.3680   1.5668   3.8246   1.4785 0.5433977 2.154244 
1 1 1   18    1   26 o   53.038   4.5654  344.400   56.621  344.400   56.621   0.0000   0.0000   53.038   4.5654  ?   ?  0.000000 4.565355 
1 1 1   18    1   27 o   87.126   7.3639  978.300  150.082  978.300  150.082   0.0000   0.0000   87.126   7.3639  ?   ?  0.000000 7.363873 
1 1 1   18    1   28 o   38.861   3.6137  184.000   32.781  184.000   32.781   0.0000   0.0000   38.861   3.6137  ?   ?  0.000000 3.613670 
1 1 1   18    1   29 o   32.096   3.2010  125.400   23.937  125.400   23.937   0.0000   0.0000   32.096   3.2010  ?   ?  0.000000 3.201017 
1 1 1   18    1   30 o   52.625   4.6300  346.200   56.949  346.200   56.949   0.0000   0.0000   52.625   4.6300  ?   ?  0.000000 4.629979 
1 1 1   18    1   31 o   18.370   2.5516   41.300   10.770   41.300   10.770   0.0000   0.0000   18.370   2.5516  ?   ?  0.000000 2.551573 
1 1 1   18    1   32 o   54.061   4.8170  372.000   60.849  372.000   60.849   0.0000   0.0000   54.061   4.8170  ?   ?  0.000000 4.817008 
1 1 1   18    1   33 o   38.799   3.6887  187.400   33.388  187.400   33.388   0.0000   0.0000   38.799   3.6887  ?   ?  0.000000 3.688667 
1 1 1   18    1   34 o   27.127   2.9944   90.700   18.861   90.700   18.861   0.0000   0.0000   27.127   2.9944  ?   ?  0.000000 2.994384 
1 1 1   18    1   35 o   42.648   3.9813  229.400   39.630  229.400   39.630   0.0000   0.0000   42.648   3.9813  ?   ?  0.000000 3.981287 
1 1 1   18    1   36 f   43.059   4.0305  234.900   40.504  234.900   40.504   0.0000   0.0000   43.059   4.0305  ?   ?  0.000000 4.030468 
1 1 1   18    1   37 o   16.487   2.5538   33.700   9.6208   33.700   9.6208   0.0000   0.0000   16.487   2.5538  ?   ?  0.000000 2.553777 
1 1 1   18    1   38 o   6.0942   2.0994   4.1000   3.6612   4.1000   3.6612   0.0000   0.0000   6.0942   2.0994  ?   ?  0.000000 2.099355 
1 1 1   18    1   39 o   1.7947   0.8795  -2.5000   1.2621  -2.5000   1.2621   0.0000   0.0000   1.7947   0.8795  ?   ?  0.000000 0.8794785 
1 1 1   18    1   40 o   23.290   3.0092   68.600   16.163   68.600   16.163   0.0000   0.0000   23.290   3.0092  ?   ?  0.000000 3.009243 
1 1 1   18    1   41 o   10.429   2.4402   13.900   5.9028   13.900   5.9028   0.0000   0.0000   10.429   2.4402  ?   ?  0.000000 2.440170 
1 1 1   18    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    1   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2    0 f  123.799   9.7432  1865.20  280.770  1865.20  280.770  1865.20  280.770  123.799   9.7432  123.799   9.7432 0.000000 0.000000 
1 1 1   18    2    1 o   57.550   3.2998  393.462   44.656  360.900   63.117  426.100   63.191   54.894   4.9215   59.745   4.5124 -4.850616 6.677018 
1 1 1   18    2    2 o   84.521   4.7174  851.111   93.777  880.500  132.483  821.600  132.759   85.609   6.6046   82.621   6.8670 2.988289 9.527670 
1 1 1   18    2    3 o  208.658   11.146  5328.77  547.208  5957.80  774.169  4700.70  773.571  217.455   15.172  191.244   17.318 26.21132 23.02340 
1 1 1   18    2    4 o   63.161   3.5440  474.141   52.644  561.100   74.475  387.300   74.424   68.579   4.6260   56.751   5.6278 11.82729 7.285036 
1 1 1   18    2    5 o  251.283   11.842  7756.66  702.675  9805.30  995.266  5720.60  992.207  278.737   15.178  207.213   20.549 71.52370 25.54675 
1 1 1   18    2    6 o   71.604   4.0723  610.298   68.572  669.500   96.936  551.000   97.014   74.762   5.5301   67.665   6.1385 7.097000 8.262135 
1 1 1   18    2    7 o  119.271   6.4098  1705.78  179.866  1910.30  254.444  1501.50  254.294  125.472   8.6405  110.721   9.8283 14.75055 13.08641 
1 1 1   18    2    8 o  138.918   7.5916  2328.22  248.089  2508.40  350.784  2147.90  350.918  142.861   10.471  131.662   11.400 11.19879 15.47897 
1 1 1   18    2    9 o   71.758   4.1253  613.570   69.608  685.000   98.358  541.900   98.523   75.565   5.5511   66.999   6.3015 8.565689 8.397809 
1 1 1   18    2   10 o  105.456   6.0563  1335.24  150.182  1543.70  212.139  1125.80  212.641  112.732   8.0215   95.606   9.5465 17.12527 12.46913 
1 1 1   18    2   11 o   63.549   3.5836  480.749   53.557  540.800   75.773  420.800   75.708   67.203   4.8066   59.101   5.4874 8.101704 7.294909 
1 1 1   18    2   12 o   79.862   4.4941  761.941   84.406  811.500  119.319  712.300  119.417   82.002   6.2081   76.668   6.6624 5.333839 9.106459 
1 1 1   18    2   13 o   69.765   4.0271  580.932   66.060  646.200   93.364  515.500   93.481   73.278   5.4344   65.225   6.1417 8.053047 8.200813 
1 1 1   18    2   14 o   47.596   2.8150  269.490   31.498  248.300   44.481  290.800   44.608   45.465   4.1904   49.291   3.8634 -3.825569 5.699580 
1 1 1   18    2   15 o   24.900   1.9453   73.803   11.347   76.400   16.037   71.200   16.056   25.238   2.7347   24.337   2.8477 0.9009781 3.948196 
1 1 1   18    2   16 o   59.032   3.4401  415.865   47.746  426.400   67.475  405.300   67.570   59.471   4.8470   57.936   4.9876 1.534935 6.954789 
1 1 1   18    2   17 o   82.751   4.6435  823.022   90.370  837.700  127.709  808.300  127.897   82.759   6.5896   81.225   6.7288 1.533539 9.418027 
1 1 1   18    2   18 o   26.865   1.9637   85.909   12.371   95.800   17.531   76.100   17.458   28.288   2.6556   25.128   3.0017 3.159599 4.007794 
1 1 1   18    2   19 o   21.479   1.7402   54.964   8.7504   66.400   12.422   43.700   12.329   23.558   2.2608   18.970   2.8395 4.587532 3.629567 
1 1 1   18    2   20 o   70.062   4.0132  590.026   66.119  615.000   93.457  565.000   93.556   70.939   5.6252   67.863   5.8968 3.076271 8.149534 
1 1 1   18    2   21 o   52.953   3.1194  335.374   38.833  363.000   54.944  307.800   54.893   54.797   4.2802   50.316   4.6734 4.480373 6.337225 
1 1 1   18    2   22 o   69.071   3.9721  574.475   64.512  602.000   91.193  546.900   91.276   70.071   5.5570   66.629   5.8610 3.441544 8.076612 
1 1 1   18    2   23 o   13.709   1.5531   22.535   4.9391   28.600   7.0231   16.600   6.9474   15.405   1.9762   11.587   2.6028 3.818488 3.268021 
1 1 1   18    2   24 o   52.442   2.9279  329.116   36.113  404.200   51.135  254.400   51.009   57.894   3.7609   45.543   4.8163 12.35118 6.110679 
1 1 1   18    2   25 o   77.633   4.5638  733.324   83.295  800.800  117.603  665.400  117.993   80.112   6.2667   72.523   6.9761 7.589012 9.377457 
1 1 1   18    2   26 o   22.460   1.8224   60.233   9.5819   63.300   13.589   57.200   13.513   22.908   2.5556   21.736   2.6902 1.171629 3.710613 
1 1 1   18    2   27 o   11.745   2.3389   17.000   6.2589   17.000   6.2589   0.0000   0.0000   11.745   2.3389  ?   ?  0.000000 2.338850 
1 1 1   18    2   28 o   34.795   3.3675  147.200   27.323  147.200   27.323   0.0000   0.0000   34.795   3.3675  ?   ?  0.000000 3.367547 
1 1 1   18    2   29 o   25.993   2.8741   82.100   17.345   82.100   17.345   0.0000   0.0000   25.993   2.8741  ?   ?  0.000000 2.874079 
1 1 1   18    2   30 o   28.421   3.0110   98.500   19.900   98.500   19.900   0.0000   0.0000   28.421   3.0110  ?   ?  0.000000 3.010972 
1 1 1   18    2   31 o   20.643   2.6534   52.100   12.635   52.100   12.635   0.0000   0.0000   20.643   2.6534  ?   ?  0.000000 2.653442 
1 1 1   18    2   32 f   13.382   2.4821   22.200   7.5544   22.200   7.5544   0.0000   0.0000   13.382   2.4821  ?   ?  0.000000 2.482064 
1 1 1   18    2   33 o   30.987   3.1875  118.400   22.990  118.400   22.990   0.0000   0.0000   30.987   3.1875  ?   ?  0.000000 3.187494 
1 1 1   18    2   34 o   36.185   3.5190  162.900   29.687  162.900   29.687   0.0000   0.0000   36.185   3.5190  ?   ?  0.000000 3.518967 
1 1 1   18    2   35 f   35.881   3.5114  160.500   29.370  160.500   29.370   0.0000   0.0000   35.881   3.5114  ?   ?  0.000000 3.511419 
1 1 1   18    2   36 o   42.996   4.0219  234.200   40.359  234.200   40.359   0.0000   0.0000   42.996   4.0219  ?   ?  0.000000 4.021871 
1 1 1   18    2   37 o   27.739   3.0174   95.400   19.446   95.400   19.446   0.0000   0.0000   27.739   3.0174  ?   ?  0.000000 3.017419 
1 1 1   18    2   38 o   19.947   2.6625   49.400   12.228   49.400   12.228   0.0000   0.0000   19.947   2.6625  ?   ?  0.000000 2.662492 
1 1 1   18    2   39 o   39.321   3.8296  199.100   35.107  199.100   35.107   0.0000   0.0000   39.321   3.8296  ?   ?  0.000000 3.829600 
1 1 1   18    2   40 o   17.785   2.7489   39.900   11.172   39.900   11.172   0.0000   0.0000   17.785   2.7489  ?   ?  0.000000 2.748935 
1 1 1   18    2   41 o   11.599   2.5181   17.200   6.6993   17.200   6.6993   0.0000   0.0000   11.599   2.5181  ?   ?  0.000000 2.518109 
1 1 1   18    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    2   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3    0 o  118.348   9.3247  1703.20  256.868  1703.20  256.868  1703.20  256.868  118.348   9.3247  118.348   9.3247 0.000000 0.000000 
1 1 1   18    3    1 o   76.368   4.2284  694.015   75.955  731.900  107.466  656.200  107.368   78.155   5.8659   73.912   6.2092 4.243095 8.541857 
1 1 1   18    3    2 o  178.652   9.6947  3875.84  407.452  3921.80  576.286  3829.90  576.162  177.173   13.886  174.951   14.065 2.222565 19.76484 
1 1 1   18    3    3 o  194.094   10.343  4592.29  472.346  5319.10  668.254  3866.60  667.744  206.464   13.786  173.921   16.455 32.54399 21.46648 
1 1 1   18    3    4 f   35.503   2.3489  149.703   19.580  166.600   27.688  132.800   27.693   37.378   3.1668   33.287   3.5794 4.090832 4.779244 
1 1 1   18    3    5 o  201.699   10.519  4971.36  499.246  5762.10  706.483  4182.60  705.599  214.423   14.030  180.339   16.761 34.08466 21.85836 
1 1 1   18    3    6 o   39.146   2.4501  181.961   22.534  217.300   31.885  146.700   31.850   42.717   3.1838   34.950   3.9271 7.767006 5.055597 
1 1 1   18    3    7 o   48.949   2.7359  284.439   31.497  345.100   44.640  224.300   44.447   53.843   3.5305   43.232   4.4159 10.61150 5.653760 
1 1 1   18    3    8 o   18.913   1.7371   42.634   7.6715   46.100   10.875   39.200   10.824   19.595   2.4004   18.013   2.6215 1.581911 3.554490 
1 1 1   18    3    9 o   38.859   2.5430  179.460   23.206  207.700   32.784  151.100   32.853   41.725   3.3557   35.452   3.9940 6.272774 5.216560 
1 1 1   18    3   10 o   99.431   5.3222  1183.11  124.508  1394.40  176.159  972.200  176.004  107.469   6.9794   89.169   8.4601 18.29987 10.96749 
1 1 1   18    3   11 o  115.825   6.3755  1614.62  173.702  1769.00  245.595  1460.10  245.710  120.287   8.7052  108.787   9.6657 11.50083 13.00796 
1 1 1   18    3   12 o   84.162   4.4823  846.036   88.758  1003.00  125.648  689.700  125.397   91.301   5.8589   75.274   7.1402 16.02726 9.236296 
1 1 1   18    3   13 o   87.855   4.8137  924.169   99.485  1040.90  140.741  807.600  140.644   92.751   6.4665   81.327   7.4047 11.42403 9.830787 
1 1 1   18    3   14 o  106.997   5.8886  1380.36  148.209  1385.40  209.479  1375.30  209.719  106.053   8.4345  105.641   8.4785 0.4122086 11.95933 
1 1 1   18    3   15 o   99.364   5.3888  1188.62  125.968  1360.50  178.214  1017.00  178.077  105.551   7.1930   90.626   8.4174 14.92467 11.07218 
1 1 1   18    3   16 o   77.323   4.3171  716.420   78.510  794.000  111.051  638.900  111.008   80.932   5.8503   72.301   6.5739 8.631149 8.800069 
1 1 1   18    3   17 o  115.638   6.4392  1629.31  175.134  1687.20  247.540  1571.30  247.814  115.911   9.1175  111.557   9.4978 4.354218 13.16576 
1 1 1   18    3   18 o   28.475   2.0537   96.535   13.717  109.900   19.409   83.200   19.387   30.301   2.7424   26.255   3.1928 4.045570 4.208829 
1 1 1   18    3   19 o   94.025   5.2175  1070.72  115.389  1158.50  163.212  983.000  163.157   96.741   7.1961   88.670   7.8742 8.071175 10.66714 
1 1 1   18    3   20 o  156.173   8.8759  3099.15  325.974  3487.10  461.026  2711.30  460.968  160.699   12.241  138.563   14.294 22.13580 18.81915 
1 1 1   18    3   21 o   31.986   2.1595  121.899   16.216  138.400   22.968  105.500   22.897   33.977   2.8901   29.547   3.3404 4.429939 4.417116 
1 1 1   18    3   22 o   92.600   5.2219  1044.83  113.717  1124.10  160.786  965.500  160.855   94.731   7.2427   87.295   7.8887 7.435852 10.70921 
1 1 1   18    3   23 o  101.313   5.6572  1259.96  134.800  1360.30  190.676  1159.70  190.596  103.484   7.8617   94.860   8.6023 8.624199 11.65364 
1 1 1   18    3   24 o   78.305   4.3707  743.211   80.495  789.200  113.948  697.400  113.726   79.741   6.0977   74.679   6.5143 5.061905 8.922910 
1 1 1   18    3   25 o   47.157   2.9211  266.498   32.368  290.100   45.728  242.800   45.822   48.903   3.9948   44.578   4.4110 4.325317 5.951064 
1 1 1   18    3   26 o   39.102   2.3516  182.634   21.612  212.800   30.649  152.800   30.481   42.046   3.1090   35.440   3.6966 6.606346 4.830222 
1 1 1   18    3   27 o   32.405   3.2103  127.200   24.242  127.200   24.242   0.0000   0.0000   32.405   3.2103  ?   ?  0.000000 3.210274 
1 1 1   18    3   28 o   36.810   3.4959  165.000   30.022  165.000   30.022   0.0000   0.0000   36.810   3.4959  ?   ?  0.000000 3.495898 
1 1 1   18    3   29 o   19.068   2.5826   44.300   11.329   44.300   11.329   0.0000   0.0000   19.068   2.5826  ?   ?  0.000000 2.582648 
1 1 1   18    3   30 o   43.441   3.9658  233.200   40.232  233.200   40.232   0.0000   0.0000   43.441   3.9658  ?   ?  0.000000 3.965754 
1 1 1   18    3   31 o   13.269   2.4738   21.800   7.4660   21.800   7.4660   0.0000   0.0000   13.269   2.4738  ?   ?  0.000000 2.473757 
1 1 1   18    3   32 o   15.528   2.4874   29.700   8.8127   29.700   8.8127   0.0000   0.0000   15.528   2.4874  ?   ?  0.000000 2.487403 
1 1 1   18    3   33 o   5.2516   1.9116   2.7000   3.0719   2.7000   3.0719   0.0000   0.0000   5.2516   1.9116  ?   ?  0.000000 1.911614 
1 1 1   18    3   34 o   10.267   2.3847   13.200   5.6710   13.200   5.6710   0.0000   0.0000   10.267   2.3847  ?   ?  0.000000 2.384681 
1 1 1   18    3   35 o   25.379   2.8867   79.400   16.992   79.400   16.992   0.0000   0.0000   25.379   2.8867  ?   ?  0.000000 2.886673 
1 1 1   18    3   36 o   50.890   4.6609  334.900   55.388  334.900   55.388   0.0000   0.0000   50.890   4.6609  ?   ?  0.000000 4.660895 
1 1 1   18    3   37 o   8.6282   2.3351   9.3000   4.8737   9.3000   4.8737   0.0000   0.0000   8.6282   2.3351  ?   ?  0.000000 2.335131 
1 1 1   18    3   38 o   16.864   2.5663   35.400   9.8973   35.400   9.8973   0.0000   0.0000   16.864   2.5663  ?   ?  0.000000 2.566294 
1 1 1   18    3   39 o   20.285   2.7144   51.400   12.676   51.400   12.676   0.0000   0.0000   20.285   2.7144  ?   ?  0.000000 2.714355 
1 1 1   18    3   40 o   13.682   2.5756   23.700   8.0159   23.700   8.0159   0.0000   0.0000   13.682   2.5756  ?   ?  0.000000 2.575587 
1 1 1   18    3   41 o   6.9614   2.1795   5.9000   3.9823   5.9000   3.9823   0.0000   0.0000   6.9614   2.1795  ?   ?  0.000000 2.179540 
1 1 1   18    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    3   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4    0 o   94.142   7.4979  1074.10  164.247  1074.10  164.247  1074.10  164.247   94.142   7.4979   94.142   7.4979 0.000000 0.000000 
1 1 1   18    4    1 o  139.658   7.3239  2343.34  240.687  2038.60  340.182  2648.80  340.583  128.687   11.309  147.507   9.8343 -18.81973 14.98729 
1 1 1   18    4    2 o   35.751   2.3564  151.801   19.782  152.300   27.961  151.300   27.990   35.703   3.3560   35.583   3.3715 0.1202507 4.757032 
1 1 1   18    4    3 f  163.341   8.8980  3230.17  341.907  3328.00  483.368  3132.20  483.692  163.802   12.593  158.619   13.029 5.183228 18.12010 
1 1 1   18    4    4 o   98.853   5.2775  1166.38  122.746  1321.90  173.687  1011.20  173.492  104.824   7.0580   91.327   8.1299 13.49754 10.76614 
1 1 1   18    4    5 o  108.246   5.8960  1401.89  150.137  1373.30  212.299  1430.50  212.352  106.374   8.5234  108.641   8.3412 -2.267532 11.92579 
1 1 1   18    4    6 f   76.521   4.1651  697.113   74.977  784.800  106.117  609.700  105.951   80.950   5.5856   71.138   6.3749 9.812088 8.475764 
1 1 1   18    4    7 o   91.571   4.7663  1000.01  102.705  1176.10  145.408  824.700  145.087   98.986   6.2530   82.491   7.5314 16.49453 9.788896 
1 1 1   18    4    8 f   37.722   2.4393  169.047   21.612  167.500   30.535  170.600   30.592   37.425   3.4957   37.777   3.4681 -0.3514061 4.924184 
1 1 1   18    4    9 o  121.294   6.4418  1768.20  183.843  2034.50  260.141  1502.50  259.846  129.279   8.5702  110.362   10.082 18.91621 13.23249 
1 1 1   18    4   10 o   56.909   3.2610  385.203   43.639  423.300   61.754  347.200   61.677   59.489   4.4278   53.758   4.9130 5.731186 6.613797 
1 1 1   18    4   11 o   76.743   4.4183  703.282   79.729  795.500  112.642  610.700  112.865   81.289   5.9086   70.928   6.8230 10.36141 9.025790 
1 1 1   18    4   12 o  176.696   9.8224  3857.56  408.213  4026.20  577.105  3688.70  577.496  176.633   13.950  168.274   14.681 8.359406 20.25132 
1 1 1   18    4   13 o  156.730   8.6646  3015.86  319.429  3190.40  451.667  2841.20  451.814  158.324   12.175  148.616   13.006 9.707855 17.81467 
1 1 1   18    4   14 o   16.768   1.6877   33.584   6.5917   39.500   9.3346   27.700   9.3097   18.131   2.2271   15.058   2.7182 3.072886 3.514028 
1 1 1   18    4   15 o   22.386   1.8357   59.684   9.6187   71.800   13.612   47.600   13.594   24.504   2.3826   19.806   3.0005 4.698177 3.831428 
1 1 1   18    4   16 o   48.751   2.9410  283.204   33.699  297.100   47.651  269.300   47.664   49.729   4.0942   47.283   4.3165 2.446358 5.949365 
1 1 1   18    4   17 o   54.418   3.2069  353.399   41.027  344.000   58.018  362.800   58.023   53.375   4.6497   54.857   4.5195 -1.482212 6.484257 
1 1 1   18    4   18 o   47.125   2.8286  264.756   31.331  296.400   44.339  233.200   44.277   49.684   3.8083   43.922   4.3253 5.762459 5.762895 
1 1 1   18    4   19 o   48.152   2.8849  276.675   32.651  323.300   46.188  230.100   46.163   51.875   3.7970   43.535   4.5580 8.339478 5.932308 
1 1 1   18    4   20 o   67.658   3.8839  549.917   61.792  584.300   87.365  515.500   87.409   69.211   5.3882   64.830   5.7700 4.380287 7.894640 
1 1 1   18    4   21 o   20.282   1.7786   49.095   8.4326   52.400   11.934   45.800   11.917   20.860   2.4707   19.449   2.6650 1.410669 3.634110 
1 1 1   18    4   22 o   86.148   4.5557  898.160   92.344  1066.00  130.786  731.300  130.404   93.070   5.9827   76.231   7.3349 16.83905 9.465367 
1 1 1   18    4   23 o   70.445   3.7372  597.010   61.944  726.400   87.735  468.400   87.470   77.257   4.8335   61.403   6.1140 15.85374 7.793831 
1 1 1   18    4   24 o   35.830   2.3073  153.202   19.417  167.200   27.508  139.300   27.413   37.272   3.1551   33.925   3.4708 3.346809 4.690562 
1 1 1   18    4   25 o   34.859   2.3388  145.156   19.140  152.800   27.058  137.500   27.080   35.581   3.2566   33.691   3.4526 1.889870 4.746131 
1 1 1   18    4   26 o   68.371   3.8902  566.052   62.546  610.200   88.502  522.000   88.406   70.213   5.3788   64.637   5.8557 5.576096 7.951142 
1 1 1   18    4   27 o   91.766   4.9749  1037.07  107.399  1187.90  152.050  886.900  151.721   96.639   6.7045   82.311   7.9032 14.32822 10.36390 
1 1 1   18    4   28 o   3.9523   1.5628   1.0000   2.1599   1.0000   2.1599   0.0000   0.0000   3.9523   1.5628  ?   ?  0.000000 1.562762 
1 1 1   18    4   29 o   52.113   4.5751  337.600   55.730  337.600   55.730   0.0000   0.0000   52.113   4.5751  ?   ?  0.000000 4.575119 
1 1 1   18    4   30 o   55.975   4.9103  395.000   64.248  395.000   64.248   0.0000   0.0000   55.975   4.9103  ?   ?  0.000000 4.910325 
1 1 1   18    4   31 o   57.333   5.0539  419.000   67.722  419.000   67.722   0.0000   0.0000   57.333   5.0539  ?   ?  0.000000 5.053928 
1 1 1   18    4   32 o   10.627   2.3982   14.100   5.8754   14.100   5.8754   0.0000   0.0000   10.627   2.3982  ?   ?  0.000000 2.398247 
1 1 1   18    4   33 o   44.902   4.1342  253.900   43.343  253.900   43.343   0.0000   0.0000   44.902   4.1342  ?   ?  0.000000 4.134238 
1 1 1   18    4   34 o   42.923   3.9912  231.900   39.990  231.900   39.990   0.0000   0.0000   42.923   3.9912  ?   ?  0.000000 3.991229 
1 1 1   18    4   35 o   37.387   3.6160  174.800   31.525  174.800   31.525   0.0000   0.0000   37.387   3.6160  ?   ?  0.000000 3.616025 
1 1 1   18    4   36 o   37.616   3.6357  177.500   31.892  177.500   31.892   0.0000   0.0000   37.616   3.6357  ?   ?  0.000000 3.635749 
1 1 1   18    4   37 o   7.8965   2.2838   7.7000   4.5002   7.7000   4.5002   0.0000   0.0000   7.8965   2.2838  ?   ?  0.000000 2.283778 
1 1 1   18    4   38 o   28.481   3.0783  101.400   20.373  101.400   20.373   0.0000   0.0000   28.481   3.0783  ?   ?  0.000000 3.078275 
1 1 1   18    4   39 o   39.622   3.8864  203.000   35.894  203.000   35.894   0.0000   0.0000   39.622   3.8864  ?   ?  0.000000 3.886353 
1 1 1   18    4   40 o   23.203   2.8425   67.700   15.248   67.700   15.248   0.0000   0.0000   23.203   2.8425  ?   ?  0.000000 2.842464 
1 1 1   18    4   41 o   21.115   2.8124   56.500   13.674   56.500   13.674   0.0000   0.0000   21.115   2.8124  ?   ?  0.000000 2.812355 
1 1 1   18    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    4   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5    0 o   60.504   5.0733  442.800   71.310  442.800   71.310  442.800   71.310   60.504   5.0733   60.504   5.0733 0.000000 0.000000 
1 1 1   18    5    1 o   69.961   3.6972  581.763   60.863  721.100   86.177  443.100   85.969   77.762   4.7154   60.645   6.0853 17.11720 7.698388 
1 1 1   18    5    2 o  139.928   7.5861  2356.85  249.724  2341.50  353.195  2372.20  353.131  138.070   10.922  139.016   10.843 -0.9460907 15.39059 
1 1 1   18    5    3 o   34.226   2.2251  139.089   17.885  161.400   25.329  116.900   25.259   36.810   2.9385   31.218   3.4860 5.591660 4.559269 
1 1 1   18    5    4 o  159.373   8.6546  3075.00  324.484  3129.80  458.869  3020.20  458.912  158.799   12.334  155.829   12.579 2.970276 17.61668 
1 1 1   18    5    5 o  112.813   6.1322  1524.49  162.744  1607.50  230.174  1441.50  230.135  115.097   8.5297  108.777   9.0414 6.319679 12.42987 
1 1 1   18    5    6 o  259.487   12.804  8370.89  784.551 10478.20  1110.71  6272.60  1108.33  285.177   16.565  213.337   22.332 71.83987 27.80522 
1 1 1   18    5    7 o   71.274   3.9453  604.767   66.143  680.700   93.591  529.000   93.489   75.393   5.2906   66.263   6.0413 9.129616 8.030371 
1 1 1   18    5    8 o  153.285   8.2337  2848.97  296.934  3056.60  420.116  2641.70  419.741  156.925   11.416  145.227   12.357 11.69769 16.82311 
1 1 1   18    5    9 o   43.800   2.6357  227.914   27.134  262.800   38.420  193.200   38.326   46.943   3.4910   40.119   4.1033 6.823925 5.387398 
1 1 1   18    5   10 o   66.710   3.6784  529.862   57.721  593.200   81.720  466.800   81.541   70.369   4.9495   62.244   5.6079 8.124210 7.479734 
1 1 1   18    5   11 o   64.347   3.6832  493.305   55.732  543.600   78.813  443.000   78.821   67.313   4.9940   60.604   5.5702 6.708813 7.481061 
1 1 1   18    5   12 o   44.915   2.7625  239.934   29.158  238.600   40.992  241.300   41.483   44.624   3.9303   44.873   3.9554 -0.2494507 5.576046 
1 1 1   18    5   13 o   48.489   2.9224  279.801   33.305  286.700   47.098  272.900   47.102   48.898   4.1173   47.678   4.2275 1.219780 5.901187 
1 1 1   18    5   14 f  110.508   6.1347  1476.43  159.456  1658.70  225.454  1294.00  225.555  116.061   8.2808  101.779   9.4945 14.28154 12.59832 
1 1 1   18    5   15 o   61.821   3.5034  456.033   50.933  528.900   72.064  383.300   71.997   66.342   4.6291   56.209   5.4946 10.13340 7.184638 
1 1 1   18    5   16 o   55.086   3.2706  362.086   42.352  407.400   59.871  316.700   59.919   58.207   4.3881   51.126   5.0283 7.081791 6.673754 
1 1 1   18    5   17 o   11.379   1.6079   15.620   4.2003   18.100   5.9769   13.200   5.9041   12.182   2.1568   10.345   2.4540 1.836835 3.267079 
1 1 1   18    5   18 o   57.985   3.3128  401.723   45.172  466.200   63.921  337.400   63.845   62.217   4.3787   52.653   5.2031 9.564636 6.800404 
1 1 1   18    5   19 o   68.995   3.8818  571.234   62.986  536.500   88.991  606.100   89.160   66.224   5.7477   70.559   5.3920 -4.335220 7.881018 
1 1 1   18    5   20 o   86.778   4.8121  911.464   98.220  1023.90  138.957  799.200  138.852   91.089   6.5031   79.883   7.4468 11.20579 9.886578 
1 1 1   18    5   21 o  102.004   5.7309  1273.28  137.479  1366.60  194.391  1179.90  194.458  104.010   7.9755   96.045   8.6675 7.964737 11.77856 
1 1 1   18    5   22 o   24.188   1.8805   69.760   10.656   77.100   15.112   62.500   15.029   25.336   2.5610   22.731   2.8635 2.605457 3.841731 
1 1 1   18    5   23 o   43.135   2.5281  222.064   25.638  272.900   36.324  171.600   36.191   47.677   3.2458   37.531   4.1534 10.14600 5.271192 
1 1 1   18    5   24 o   3.5241   1.2928   1.1648   1.4089  -1.4000   1.9611   3.9000   2.0253   2.8367   1.2991   5.6403   1.4961 -2.803671 1.981351 
1 1 1   18    5   25 o   27.019   2.0326   87.159   12.873   91.100   18.184   83.200   18.227   27.484   2.8429   26.221   2.9977 1.263174 4.131374 
1 1 1   18    5   26 o   56.585   3.3350  385.648   44.364  391.600   62.751  379.700   62.730   56.457   4.7511   55.551   4.8302 0.9059410 6.775229 
1 1 1   18    5   27 o   45.130   2.6783  244.186   28.414  274.900   40.259  213.700   40.109   47.608   3.6079   41.769   4.1203 5.839840 5.476623 
1 1 1   18    5   28 o   65.888   3.6434  527.295   56.466  594.800   79.977  460.200   79.734   69.208   4.9260   60.359   5.6603 8.848816 7.503597 
1 1 1   18    5   29 o   37.806   3.5712  175.000   31.504  175.000   31.504   0.0000   0.0000   37.806   3.5712  ?   ?  0.000000 3.571241 
1 1 1   18    5   30 o   44.638   4.0630  247.100   42.358  247.100   42.358   0.0000   0.0000   44.638   4.0630  ?   ?  0.000000 4.062975 
1 1 1   18    5   31 o   12.136   2.4489   18.300   6.7758   18.300   6.7758   0.0000   0.0000   12.136   2.4489  ?   ?  0.000000 2.448898 
1 1 1   18    5   32 o   48.195   4.3598  292.900   49.081  292.900   49.081   0.0000   0.0000   48.195   4.3598  ?   ?  0.000000 4.359842 
1 1 1   18    5   33 o   31.737   3.2316  124.400   23.881  124.400   23.881   0.0000   0.0000   31.737   3.2316  ?   ?  0.000000 3.231641 
1 1 1   18    5   34 o   4.1629   1.6348   1.2000   2.3484   1.2000   2.3484   0.0000   0.0000   4.1629   1.6348  ?   ?  0.000000 1.634771 
1 1 1   18    5   35 o   2.5775   1.1785  -1.1000   1.6051  -1.1000   1.6051   0.0000   0.0000   2.5775   1.1785  ?   ?  0.000000 1.178482 
1 1 1   18    5   36 o   19.905   2.6435   48.900   12.118   48.900   12.118   0.0000   0.0000   19.905   2.6435  ?   ?  0.000000 2.643543 
1 1 1   18    5   37 o   17.087   2.5627   36.200   10.021   36.200   10.021   0.0000   0.0000   17.087   2.5627  ?   ?  0.000000 2.562682 
1 1 1   18    5   38 o   47.001   4.4280  289.100   48.566  289.100   48.566   0.0000   0.0000   47.001   4.4280  ?   ?  0.000000 4.428030 
1 1 1   18    5   39 f   14.075   2.5043   24.900   8.0182   24.900   8.0182   0.0000   0.0000   14.075   2.5043  ?   ?  0.000000 2.504313 
1 1 1   18    5   40 o   18.686   2.6281   43.800   11.276   43.800   11.276   0.0000   0.0000   18.686   2.6281  ?   ?  0.000000 2.628079 
1 1 1   18    5   41 o   7.5694   2.3004   7.1000   4.4754   7.1000   4.4754   0.0000   0.0000   7.5694   2.3004  ?   ?  0.000000 2.300353 
1 1 1   18    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    5   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6    0 o   89.817   7.1807  977.700  150.057  977.700  150.057  977.700  150.057   89.817   7.1807   89.817   7.1807 0.000000 0.000000 
1 1 1   18    6    1 o   87.823   4.7329  919.338   97.789  845.200  138.143  993.800  138.445   83.705   7.0548   90.953   6.4887 -7.248138 9.585068 
1 1 1   18    6    2 o  160.995   8.4210  3133.63  319.028  3584.70  451.460  2683.70  450.889  170.681   11.265  146.482   13.176 24.19962 17.33527 
1 1 1   18    6    3 o   81.164   4.5411  785.091   86.683  831.500  122.535  738.600  122.643   83.190   6.2841   78.282   6.6992 4.907890 9.185245 
1 1 1   18    6    4 f   86.871   4.5107  899.052   92.211  1050.80  130.578  748.100  130.235   93.642   5.9360   78.679   7.0858 14.96223 9.243597 
1 1 1   18    6    5 o  124.466   6.7593  1861.39  197.918  1839.70  279.843  1883.10  279.953  122.601   9.7467  124.099   9.6287 -1.497658 13.70077 
1 1 1   18    6    6 o   59.211   3.4202  416.948   47.618  421.600   67.357  412.300   67.326   59.328   4.8504   58.655   4.9059 0.6722794 6.898887 
1 1 1   18    6    7 o  167.585   8.9311  3418.34  352.154  3778.90  498.272  3058.50  497.769  174.012   12.203  155.379   13.707 18.63329 18.35242 
1 1 1   18    6    8 o   89.801   4.7526  962.747  100.420  1094.20  142.153  831.800  141.879   95.353   6.3497   82.805   7.3318 12.54749 9.699162 
1 1 1   18    6    9 o   68.910   3.8871  565.738   62.993  591.900   89.106  539.600   89.066   70.199   5.4173   66.948   5.6878 3.251259 7.854820 
1 1 1   18    6   10 o   36.720   2.3949  160.250   20.652  160.900   29.210  159.600   29.202   36.670   3.4125   36.519   3.4264 0.1518974 4.835868 
1 1 1   18    6   11 o  145.057   7.7781  2558.82  265.452  2814.00  375.573  2304.10  375.238  150.260   10.654  135.032   11.889 15.22832 15.96454 
1 1 1   18    6   12 o  124.271   6.5482  1866.37  191.478  2128.80  270.987  1604.70  270.594  131.566   8.7728  113.335   10.221 18.23064 13.46957 
1 1 1   18    6   13 o   94.849   5.2274  1080.77  116.627  1072.80  164.604  1088.80  165.269   93.652   7.5063   94.364   7.4781 -0.7125015 10.59564 
1 1 1   18    6   14 o   42.025   2.5464  210.062   25.150  237.500   35.625  182.800   35.511   44.572   3.4106   38.985   3.9101 5.587044 5.188584 
1 1 1   18    6   15 o   73.247   4.1251  642.235   71.058  681.100  100.510  603.400  100.472   74.975   5.7203   70.418   6.1026 4.556778 8.364448 
1 1 1   18    6   16 o   86.491   4.7441  899.590   96.522  1006.60  136.574  792.800  136.433   90.842   6.4078   80.187   7.2848 10.65510 9.702009 
1 1 1   18    6   17 o   83.146   4.6688  832.021   91.296  867.200  129.073  796.800  129.150   84.134   6.5484   80.484   6.8610 3.649719 9.484459 
1 1 1   18    6   18 o   21.407   1.8330   54.651   9.1763   54.200   12.995   55.100   12.959   21.202   2.6538   21.385   2.6212 -0.1833744 3.730059 
1 1 1   18    6   19 f   27.483   2.0300   89.996   13.081  102.000   18.502   78.000   18.496   29.170   2.7173   25.399   3.1517 3.771542 4.161368 
1 1 1   18    6   20 o   55.809   3.2865  372.853   43.119  381.200   60.969  364.500   60.991   56.054   4.6481   54.767   4.7636 1.286652 6.655561 
1 1 1   18    6   21 o   57.675   3.3007  398.451   44.766  455.800   63.363  341.300   63.254   61.368   4.4018   52.816   5.1368 8.552536 6.764791 
1 1 1   18    6   22 o   35.334   2.2919  148.889   19.020  166.200   26.946  131.700   26.851   37.195   3.0960   32.996   3.4996 4.199745 4.672561 
1 1 1   18    6   23 o   81.948   4.5444  814.743   87.594  915.000  123.943  714.700  123.810   85.923   6.1494   75.334   7.0416 10.58937 9.348735 
1 1 1   18    6   24 o   44.866   2.8327  241.032   29.857  274.900   42.174  207.000   42.276   47.679   3.7768   41.142   4.4209 6.536686 5.814560 
1 1 1   18    6   25 o   19.334   1.7692   44.695   7.9878   47.000   11.308   42.400   11.285   19.715   2.4841   18.682   2.6309 1.033207 3.618365 
1 1 1   18    6   26 o   60.433   3.4833  440.640   49.498  486.700   70.046  394.700   69.955   62.960   4.7464   56.386   5.3167 6.574223 7.127123 
1 1 1   18    6   27 o   85.304   4.5281  891.943   90.885  1054.40  128.752  730.600  128.310   91.534   5.9898   74.977   7.3414 16.55753 9.474892 
1 1 1   18    6   28 o   77.307   4.2777  733.507   77.786  815.100  110.171  652.400  109.842   80.202   5.8578   71.045   6.6239 9.157135 8.842504 
1 1 1   18    6   29 o   13.090   1.4949   20.596   4.5380   24.600   6.5054   16.800   6.3335   14.236   1.9896   11.646   2.3833 2.589365 3.104641 
1 1 1   18    6   30 o   22.758   2.7248   63.200   14.352   63.200   14.352   0.0000   0.0000   22.758   2.7248  ?   ?  0.000000 2.724790 
1 1 1   18    6   31 o   25.744   2.8893   81.100   17.261   81.100   17.261   0.0000   0.0000   25.744   2.8893  ?   ?  0.000000 2.889342 
1 1 1   18    6   32 o   18.911   2.5903   43.900   11.264   43.900   11.264   0.0000   0.0000   18.911   2.5903  ?   ?  0.000000 2.590334 
1 1 1   18    6   33 o   9.7528   2.3538   11.900   5.3589   11.900   5.3589   0.0000   0.0000   9.7528   2.3538  ?   ?  0.000000 2.353830 
1 1 1   18    6   34 o   40.081   3.7898  201.300   35.443  201.300   35.443   0.0000   0.0000   40.081   3.7898  ?   ?  0.000000 3.789776 
1 1 1   18    6   35 o   28.612   3.0553  101.200   20.323  101.200   20.323   0.0000   0.0000   28.612   3.0553  ?   ?  0.000000 3.055312 
1 1 1   18    6   36 o   9.7370   2.3622   11.900   5.3760   11.900   5.3760   0.0000   0.0000   9.7370   2.3622  ?   ?  0.000000 2.362248 
1 1 1   18    6   37 o   42.036   3.9836  225.400   39.070  225.400   39.070   0.0000   0.0000   42.036   3.9836  ?   ?  0.000000 3.983636 
1 1 1   18    6   38 o   41.816   4.0122  225.400   39.131  225.400   39.131   0.0000   0.0000   41.816   4.0122  ?   ?  0.000000 4.012241 
1 1 1   18    6   39 o   10.699   2.6117   14.600   6.5408   14.600   6.5408   0.0000   0.0000   10.699   2.6117  ?   ?  0.000000 2.611715 
1 1 1   18    6   40 o   6.2995   2.0995   4.6000   3.6590   4.6000   3.6590   0.0000   0.0000   6.2995   2.0995  ?   ?  0.000000 2.099481 
1 1 1   18    6   41 o   33.375   3.5397  145.100   27.471  145.100   27.471   0.0000   0.0000   33.375   3.5397  ?   ?  0.000000 3.539711 
1 1 1   18    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    6   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7    0 o   19.275   2.6893   46.400   11.558   46.400   11.558   46.400   11.558   19.275   2.6893   19.275   2.6893 0.000000 0.000000 
1 1 1   18    7    1 o  122.936   6.6117  1813.78  191.230  1749.00  270.190  1878.80  270.690  119.628   9.6468  124.158   9.3004 -4.529839 13.39991 
1 1 1   18    7    2 o  117.141   5.9871  1642.60  165.055  1914.00  233.703  1372.50  233.144  125.852   7.9041  105.960   9.4160 19.89169 12.29379 
1 1 1   18    7    3 o   27.552   2.0248   90.232   13.081   87.500   18.438   93.000   18.562   27.028   2.9362   27.884   2.8596 -0.8562145 4.098624 
1 1 1   18    7    4 o   34.479   2.2620  141.196   18.314  161.800   25.934  120.700   25.867   36.842   3.0073   31.717   3.5127 5.125429 4.624172 
1 1 1   18    7    5 o   91.554   5.0232  1001.13  108.182  1027.30  153.063  975.000  152.923   92.233   7.0819   89.785   7.2754 2.448006 10.15306 
1 1 1   18    7    6 o   75.500   4.1873  679.253   74.360  717.700  105.226  640.900  105.096   77.294   5.8077   72.937   6.1597 4.356735 8.465903 
1 1 1   18    7    7 o  154.501   8.2646  2897.41  300.426  3211.80  425.031  2583.50  424.703  160.850   11.261  143.243   12.687 17.60657 16.96412 
1 1 1   18    7    8 o   38.304   2.4701  174.355   22.222  181.700   31.417  167.000   31.437   38.989   3.4480   37.343   3.6101 1.645977 4.992126 
1 1 1   18    7    9 o   63.899   3.6634  486.308   55.047  524.300   77.839  448.300   77.856   66.112   5.0236   61.012   5.4618 5.099632 7.420777 
1 1 1   18    7   10 o   97.783   5.3761  1146.59  123.658  1268.60  174.886  1024.60  174.871  102.225   7.2928   91.486   8.1810 10.73938 10.95967 
1 1 1   18    7   11 o   73.476   4.0667  644.333   70.284  704.200   99.453  584.600   99.341   76.481   5.5445   69.497   6.1157 6.983620 8.254892 
1 1 1   18    7   12 o  174.629   9.6522  3781.94  396.474  3882.20  560.869  3681.80  560.529  172.627   13.876  167.613   14.299 5.014099 19.92514 
1 1 1   18    7   13 o   58.215   3.3205  403.883   45.457  441.600   64.344  366.300   64.229   60.649   4.5254   55.102   4.9904 5.547016 6.736729 
1 1 1   18    7   14 o   82.368   4.6141  813.770   89.382  855.900  126.375  771.600  126.436   83.873   6.4298   79.470   6.8032 4.402832 9.360866 
1 1 1   18    7   15 o   56.088   3.2286  375.197   42.580  405.000   60.271  345.500   60.164   58.030   4.4319   53.480   4.8157 4.549797 6.544707 
1 1 1   18    7   16 o   52.111   3.0604  323.858   37.494  385.700   53.043  262.100   53.007   56.699   3.9871   46.473   4.9043 10.22570 6.320570 
1 1 1   18    7   17 o   56.271   3.3121  378.315   43.817  406.400   61.949  350.200   61.983   58.033   4.5573   53.741   4.9396 4.291634 6.720767 
1 1 1   18    7   18 o   75.413   4.1016  683.038   72.766  797.600  103.024  569.000  102.788   81.015   5.4165   67.936   6.4862 13.07936 8.450397 
1 1 1   18    7   19 o   21.889   1.8407   57.148   9.4261   59.300   13.337   55.000   13.324   22.193   2.5939   21.344   2.7043 0.8494244 3.747238 
1 1 1   18    7   20 o   46.190   2.7939  254.757   30.330  301.300   42.912  208.300   42.873   50.057   3.6556   41.371   4.4590 8.686012 5.765949 
1 1 1   18    7   21 f   25.852   1.9288   79.656   11.690   93.500   16.559   65.900   16.506   27.933   2.5381   23.314   3.0731 4.619392 3.985725 
1 1 1   18    7   22 o   31.220   2.1368  116.210   15.658  140.100   22.162   92.400   22.125   34.189   2.7689   27.577   3.4747 6.611393 4.443009 
1 1 1   18    7   23 o   92.388   5.0097  1041.48  108.883  1219.30  154.102  864.200  153.866   98.800   6.6439   82.067   8.0433 16.73376 10.43239 
1 1 1   18    7   24 o   26.749   2.0165   85.400   12.643   94.600   17.880   76.200   17.880   28.040   2.7353   25.068   3.0858 2.972507 4.123550 
1 1 1   18    7   25 o   46.215   2.8926  256.170   31.407  290.200   44.371  222.000   44.462   48.908   3.8737   42.531   4.4953 6.376720 5.934054 
1 1 1   18    7   26 o   26.158   1.9776   81.740   12.125   85.100   17.173   78.400   17.123   26.547   2.7808   25.443   2.9019 1.104055 4.019187 
1 1 1   18    7   27 o   4.6096   1.4749   2.4572   1.8149   1.9000   2.7274   2.9000   2.4313   4.7251   1.7859   5.1057   1.7115 -0.3806658 2.473572 
1 1 1   18    7   28 o   29.053   2.0374  100.997   13.889  110.600   19.697   91.500   19.588   30.241   2.7898   27.408   3.0799 2.832878 4.155569 
1 1 1   18    7   29 o   20.731   1.7664   51.482   8.5646   54.900   12.236   48.200   11.992   21.270   2.4829   19.881   2.6181 1.389460 3.608221 
1 1 1   18    7   30 o   14.306   1.5422   24.599   5.1276   28.300   7.4110   21.200   7.1019   15.249   2.1151   13.103   2.3830 2.145406 3.186318 
1 1 1   18    7   31 o   22.766   2.7327   63.400   14.397   63.400   14.397   0.0000   0.0000   22.766   2.7327  ?   ?  0.000000 2.732704 
1 1 1   18    7   32 f   69.001   6.1999  637.400   99.941  637.400   99.941   0.0000   0.0000   69.001   6.1999  ?   ?  0.000000 6.199938 
1 1 1   18    7   33 f   64.677   5.8371  557.000   88.186  557.000   88.186   0.0000   0.0000   64.677   5.8371  ?   ?  0.000000 5.837052 
1 1 1   18    7   34 o   9.4587   2.3682   11.200   5.2776   11.200   5.2776   0.0000   0.0000   9.4587   2.3682  ?   ?  0.000000 2.368230 
1 1 1   18    7   35 o   7.7744   2.3011   7.4000   4.5221   7.4000   4.5221   0.0000   0.0000   7.7744   2.3011  ?   ?  0.000000 2.301087 
1 1 1   18    7   36 o   34.501   3.4358  148.700   27.619  148.700   27.619   0.0000   0.0000   34.501   3.4358  ?   ?  0.000000 3.435790 
1 1 1   18    7   37 o   44.899   4.2197  259.700   44.213  259.700   44.213   0.0000   0.0000   44.899   4.2197  ?   ?  0.000000 4.219679 
1 1 1   18    7   38 o   10.970   2.4373   15.200   6.1497   15.200   6.1497   0.0000   0.0000   10.970   2.4373  ?   ?  0.000000 2.437320 
1 1 1   18    7   39 o   10.296   2.5428   13.500   6.1458   13.500   6.1458   0.0000   0.0000   10.296   2.5428  ?   ?  0.000000 2.542845 
1 1 1   18    7   40 o   26.853   3.0379   91.500   18.924   91.500   18.924   0.0000   0.0000   26.853   3.0379  ?   ?  0.000000 3.037879 
1 1 1   18    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    7   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8    0 o  123.007   9.7156  1846.80  278.151  1846.80  278.151  1846.80  278.151  123.007   9.7156  123.007   9.7156 0.000000 0.000000 
1 1 1   18    8    1 f   43.369   2.6833  223.447   27.345  217.400   38.662  229.500   38.680   42.630   3.8833   43.825   3.7746 -1.194832 5.415442 
1 1 1   18    8    2 o  106.451   5.6438  1355.94  141.361  1563.80  200.067  1148.70  199.764  113.786   7.4878   97.008   8.8169 16.77774 11.56741 
1 1 1   18    8    3 o  148.150   8.1261  2657.43  283.194  2803.80  400.323  2510.80  400.672  150.443   11.352  141.889   12.073 8.553436 16.57229 
1 1 1   18    8    4 f   57.113   3.2868  387.860   44.140  416.500   62.467  359.300   62.379   59.014   4.5170   54.725   4.8783 4.288605 6.648404 
1 1 1   18    8    5 o   28.566   2.0723   97.001   13.883   99.600   19.631   94.400   19.637   28.853   2.9216   28.071   3.0094 0.7826481 4.194301 
1 1 1   18    8    6 o   68.843   3.6973  564.038   59.885  656.800   84.811  471.800   84.571   74.099   4.8742   62.564   5.7901 11.53463 7.568555 
1 1 1   18    8    7 o  104.816   5.6641  1317.05  139.671  1440.50  197.606  1193.80  197.443  108.938   7.7319   98.819   8.5454 10.11904 11.52420 
1 1 1   18    8    8 o   41.792   2.6133  207.598   25.661  197.200   36.285  218.000   36.294   40.569   3.8331   42.702   3.6339 -2.133156 5.281827 
1 1 1   18    8    9 o  188.626   10.377  4409.43  460.414  4655.00  651.287  4164.10  650.960  189.451   14.673  178.069   15.640 11.38239 21.44507 
1 1 1   18    8   10 o   69.049   3.9289  568.770   63.795  612.500   90.200  525.000   90.240   71.348   5.3936   65.909   5.8593 5.438522 7.963836 
1 1 1   18    8   11 o   44.410   2.7334  234.600   28.525  231.400   40.341  237.800   40.341   43.930   3.9304   44.547   3.8735 -0.6173630 5.518314 
1 1 1   18    8   12 o   50.109   2.9918  298.947   35.240  320.500   49.840  277.400   49.832   51.705   4.1162   48.016   4.4455 3.688553 6.058500 
1 1 1   18    8   13 o   51.832   3.0624  320.030   37.315  330.800   52.819  309.300   52.723   52.478   4.3001   50.702   4.4486 1.776360 6.187219 
1 1 1   18    8   14 o  132.959   7.0910  2159.40  221.827  2422.10  313.951  1897.50  313.471  138.918   9.6301  121.776   11.021 17.14167 14.63528 
1 1 1   18    8   15 o  121.565   6.7412  1804.63  192.754  2037.70  272.579  1571.50  272.611  127.489   9.1144  110.799   10.547 16.69039 13.93940 
1 1 1   18    8   16 o   90.127   4.8337  978.308  102.497  1112.60  145.084  844.500  144.822   95.401   6.4787   82.567   7.5100 12.83403 9.918313 
1 1 1   18    8   17 o   39.855   2.4685  189.186   23.117  221.400   32.726  157.100   32.660   43.001   3.2469   36.053   3.8984 6.947517 5.073456 
1 1 1   18    8   18 o   85.708   4.7752  887.562   96.261  966.500  136.167  808.700  136.100   88.575   6.5569   80.623   7.2255 7.951675 9.757098 
1 1 1   18    8   19 o   80.570   4.4983  783.591   85.240  862.700  120.593  704.600  120.502   83.779   6.1384   75.306   6.8514 8.472839 9.198996 
1 1 1   18    8   20 o  111.934   6.2536  1542.43  164.633  1696.40  232.842  1388.50  232.810  115.337   8.6114  103.325   9.6538 12.01261 12.93645 
1 1 1   18    8   21 o   63.034   3.6583  477.516   54.219  488.700   76.621  466.300   76.734   63.223   5.1777   61.690   5.3196 1.533558 7.423393 
1 1 1   18    8   22 o   38.639   2.4703  178.231   22.421  199.200   31.723  157.300   31.694   40.683   3.3314   36.014   3.7833 4.668629 5.040999 
1 1 1   18    8   23 o   56.241   3.2834  379.712   43.416  456.400   61.435  303.200   61.365   61.342   4.2679   49.551   5.3283 11.79121 6.826797 
1 1 1   18    8   24 o   31.309   2.1634  117.009   15.896  111.500   22.398  122.600   22.565   30.368   3.1701   31.889   3.0331 -1.520658 4.387365 
1 1 1   18    8   25 o   88.298   5.1682  959.803  107.290  1057.20  151.496  861.800  151.966   91.071   7.1008   81.371   8.0128 9.699379 10.70635 
1 1 1   18    8   26 o   25.581   1.9298   78.160   11.571   85.900   16.407   70.500   16.322   26.697   2.6370   24.099   2.9284 2.598145 3.940754 
1 1 1   18    8   27 o   58.788   3.4224  418.405   47.304  469.100   66.927  367.800   66.868   61.641   4.6319   54.179   5.2944 7.462437 7.034529 
1 1 1   18    8   28 o   18.722   1.6468   41.945   7.2063   53.200   10.240   30.900   10.144   21.027   2.0900   15.816   2.8194 5.210955 3.509551 
1 1 1   18    8   29 o   18.208   1.6661   39.736   7.0842   45.200   10.127   34.500   9.9136   19.317   2.2631   16.769   2.5867 2.547270 3.436956 
1 1 1   18    8   30 o   42.573   2.6310  218.939   26.320  237.000   37.285  201.000   37.159   43.862   3.6325   40.211   3.9650 3.650890 5.377393 
1 1 1   18    8   31 o   30.448   2.1384  111.528   15.277  114.700   21.681  108.400   21.530   30.596   3.0412   29.710   3.1151 0.8860245 4.353530 
1 1 1   18    8   32 o   14.696   2.4811   26.700   8.3035   26.700   8.3035   0.0000   0.0000   14.696   2.4811  ?   ?  0.000000 2.481122 
1 1 1   18    8   33 o   29.776   3.1172  109.400   21.593  109.400   21.593   0.0000   0.0000   29.776   3.1172  ?   ?  0.000000 3.117195 
1 1 1   18    8   34 o   29.057   3.0845  104.300   20.840  104.300   20.840   0.0000   0.0000   29.057   3.0845  ?   ?  0.000000 3.084471 
1 1 1   18    8   35 o   33.364   3.3546  138.500   26.070  138.500   26.070   0.0000   0.0000   33.364   3.3546  ?   ?  0.000000 3.354594 
1 1 1   18    8   36 o   19.387   2.6087   46.400   11.640   46.400   11.640   0.0000   0.0000   19.387   2.6087  ?   ?  0.000000 2.608657 
1 1 1   18    8   37 o   18.354   2.5957   41.800   10.936   41.800   10.936   0.0000   0.0000   18.354   2.5957  ?   ?  0.000000 2.595656 
1 1 1   18    8   38 o   26.802   2.9851   89.900   18.572   89.900   18.572   0.0000   0.0000   26.802   2.9851  ?   ?  0.000000 2.985147 
1 1 1   18    8   39 o   29.507   3.1841  110.200   21.834  110.200   21.834   0.0000   0.0000   29.507   3.1841  ?   ?  0.000000 3.184146 
1 1 1   18    8   40 o   6.7826   2.3412   5.2000   4.5542   5.2000   4.5542   0.0000   0.0000   6.7826   2.3412  ?   ?  0.000000 2.341153 
1 1 1   18    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    8   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9    0 o   18.672   2.6923   43.700   11.153   43.700   11.153   43.700   11.153   18.672   2.6923   18.672   2.6923 0.000000 0.000000 
1 1 1   18    9    1 o   28.566   2.0591   96.992   13.797  112.400   19.517   81.600   19.507   30.694   2.7209   26.042   3.2423 4.652464 4.232710 
1 1 1   18    9    2 o   8.7273   1.5674   9.2758   3.1115   11.600   4.4747   7.1000   4.3295   9.7258   2.0147   7.6820   2.2453 2.043805 3.016687 
1 1 1   18    9    3 o   76.379   4.2090  695.305   75.620  655.100  106.816  735.700  107.070   73.725   6.1931   78.243   5.8371 -4.518517 8.510340 
1 1 1   18    9    4 o   61.165   3.5164  445.197   50.574  472.700   71.527  417.700   71.519   62.815   4.8600   58.962   5.1895 3.852177 7.109931 
1 1 1   18    9    5 o  155.300   8.4498  2933.46  308.705  3116.30  436.624  2750.70  436.526  157.933   11.793  147.736   12.634 10.19655 17.28296 
1 1 1   18    9    6 o   87.503   4.7601  914.750   97.986  1001.10  138.653  828.600  138.493   91.106   6.4873   82.645   7.1675 8.461121 9.667399 
1 1 1   18    9    7 o   74.048   4.1384  653.980   72.072  700.600  101.948  607.400  101.903   76.314   5.6984   70.917   6.1460 5.397285 8.381209 
1 1 1   18    9    8 o   96.396   5.2293  1113.41  118.587  1189.80  167.808  1037.20  167.607   99.012   7.2272   92.213   7.7697 6.798889 10.61134 
1 1 1   18    9    9 o   18.483   1.7466   40.750   7.5327   57.700   10.653   23.800   10.653   21.987   2.0764   13.886   3.2978 8.101039 3.897073 
1 1 1   18    9   10 o   58.066   3.3558  401.626   45.818  472.400   64.807  330.900   64.785   62.804   4.3976   52.316   5.3181 10.48837 6.900854 
1 1 1   18    9   11 o   17.277   1.6491   35.614   6.6461   44.900   9.4431   26.500   9.3554   19.365   2.0986   14.710   2.7956 4.655779 3.495628 
1 1 1   18    9   12 o  118.612   6.2648  1702.93  174.845  1928.80  247.470  1477.80  247.067  125.036   8.4308  108.593   9.7385 16.44337 12.88085 
1 1 1   18    9   13 o   31.390   2.1168  117.187   15.599  140.700   22.090   93.800   22.031   34.332   2.7478   27.882   3.4178 6.450686 4.385416 
1 1 1   18    9   14 o   66.678   3.7105  531.380   58.191  590.700   82.378  472.300   82.211   69.971   5.0191   62.344   5.6456 7.627129 7.554096 
1 1 1   18    9   15 o   46.761   2.8386  260.594   31.195  273.700   44.127  247.500   44.106   47.722   3.9513   45.319   4.1682 2.403687 5.743446 
1 1 1   18    9   16 o   53.582   3.1057  342.638   39.127  385.900   55.373  299.500   55.294   56.641   4.1694   49.711   4.7690 6.930046 6.334618 
1 1 1   18    9   17 o   66.380   3.8160  528.369   59.563  548.900   84.196  507.800   84.273   67.171   5.3527   64.506   5.5877 2.664619 7.737824 
1 1 1   18    9   18 o   22.156   1.8408   58.538   9.5435   60.200   13.547   56.900   13.447   22.360   2.6151   21.720   2.6786 0.6404552 3.743475 
1 1 1   18    9   19 f   23.854   1.9135   67.854   10.688   71.100   15.105   64.600   15.125   24.311   2.6755   23.132   2.8277 1.178230 3.892872 
1 1 1   18    9   20 o  112.741   6.3297  1567.76  167.828  1675.60  237.332  1459.90  237.357  114.269   8.8650  105.910   9.5950 8.359612 13.06341 
1 1 1   18    9   21 o   39.572   2.5209  186.941   23.434  208.200   33.147  165.700   33.133   41.590   3.4051   36.966   3.8523 4.623611 5.141490 
1 1 1   18    9   22 o   42.125   2.6055  212.003   25.790  254.800   36.493  169.300   36.453   46.022   3.3817   37.250   4.2186 8.772312 5.406719 
1 1 1   18    9   23 o  130.619   7.6675  2170.75  235.459  2353.50  332.624  1987.20  333.356  131.495   10.808  118.951   12.034 12.54436 16.17460 
1 1 1   18    9   24 o   33.014   2.2784  130.221   17.653  132.800   24.863  127.600   25.069   33.151   3.2166   32.466   3.3166 0.6850243 4.620230 
1 1 1   18    9   25 o   81.849   4.6095  818.942   88.728  999.900  125.517  638.200  125.442   89.451   5.9767   70.106   7.7046 19.34480 9.750964 
1 1 1   18    9   26 o   41.204   2.5484  203.428   24.673  244.900   34.923  162.100   34.863   45.009   3.3091   36.310   4.1401 8.698551 5.300024 
1 1 1   18    9   27 o   19.195   1.7696   44.134   7.9306   45.400   11.287   42.900   11.146   19.329   2.5339   18.770   2.5831 0.5587502 3.618458 
1 1 1   18    9   28 o   32.082   2.1540  123.332   16.223  142.900   22.984  103.900   22.903   34.361   2.8585   29.106   3.3962 5.255247 4.439079 
1 1 1   18    9   29 o   32.274   2.1684  125.028   16.430  141.000   23.288  109.200   23.183   34.063   2.9236   29.807   3.3518 4.255352 4.447688 
1 1 1   18    9   30 o   12.309   1.6320   18.334   4.6267   18.800   6.6637   17.900   6.4289   12.319   2.3768   12.019   2.3494 0.3002596 3.341983 
1 1 1   18    9   31 o   8.2375   1.4626   8.3031   2.7408   11.800   4.0695   5.4000   3.7079   9.7917   1.8272   6.7383   2.1021 3.053373 2.785204 
1 1 1   18    9   32 o   26.887   1.8910   86.816   11.929   99.800   16.959   74.100   16.783   28.653   2.5326   24.523   2.9579 4.130066 3.894011 
1 1 1   18    9   33 o   16.720   2.5521   34.500   9.7567   34.500   9.7567   0.0000   0.0000   16.720   2.5521  ?   ?  0.000000 2.552137 
1 1 1   18    9   34 o   18.195   2.5643   40.800   10.712   40.800   10.712   0.0000   0.0000   18.195   2.5643  ?   ?  0.000000 2.564331 
1 1 1   18    9   35 o   15.742   2.5180   30.700   9.0448   30.700   9.0448   0.0000   0.0000   15.742   2.5180  ?   ?  0.000000 2.517979 
1 1 1   18    9   36 o   9.2753   2.3765   10.800   5.2286   10.800   5.2286   0.0000   0.0000   9.2753   2.3765  ?   ?  0.000000 2.376511 
1 1 1   18    9   37 o   8.3067   2.3525   8.6000   4.8238   8.6000   4.8238   0.0000   0.0000   8.3067   2.3525  ?   ?  0.000000 2.352485 
1 1 1   18    9   38 o   7.8414   2.3339   7.6000   4.6424   7.6000   4.6424   0.0000   0.0000   7.8414   2.3339  ?   ?  0.000000 2.333931 
1 1 1   18    9   39 o   3.1211   1.3643  -0.4000   1.9071  -0.4000   1.9071   0.0000   0.0000   3.1211   1.3643  ?   ?  0.000000 1.364311 
1 1 1   18    9   40 o   15.873   2.6756   32.000   9.6722   32.000   9.6722   0.0000   0.0000   15.873   2.6756  ?   ?  0.000000 2.675601 
1 1 1   18    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18    9   50 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10    0 o   5.7783   2.5832   5.7000   3.7495   5.7000   3.7495   5.7000   3.7495   5.7783   2.5832   5.7783   2.5832 0.000000 0.000000 
1 1 1   18   10    1 o   48.964   2.9208  284.983   33.617  272.500   47.509  297.500   47.575   47.691   4.2636   49.877   4.0751 -2.185730 5.897856 
1 1 1   18   10    2 o  101.540   5.4319  1234.48  129.771  1371.50  183.638  1097.80  183.409  106.445   7.3510   94.860   8.2707 11.58466 11.06536 
1 1 1   18   10    3 o  116.721   6.3926  1638.73  175.523  1718.10  248.181  1559.30  248.273  118.501   8.9349  112.642   9.4205 5.859253 12.98377 
1 1 1   18   10    4 o   52.377   3.0423  326.174   37.465  347.000   53.081  305.500   52.887   53.863   4.2067   50.472   4.4841 3.390926 6.148501 
1 1 1   18   10    5 o   41.847   2.5304  208.056   24.887  241.000   35.245  175.300   35.145   44.954   3.3442   38.210   3.9523 6.744247 5.177319 
1 1 1   18   10    6 o   95.108   5.1117  1082.93  114.380  1196.00  161.882  970.200  161.634   99.401   6.9404   89.200   7.7508 10.20041 10.40397 
1 1 1   18   10    7 o   77.042   4.1460  708.191   75.148  807.500  106.388  609.300  106.164   81.961   5.5293   70.914   6.4092 11.04747 8.464652 
1 1 1   18   10    8 o   70.258   3.9268  588.843   64.886  621.700   91.843  556.100   91.682   71.863   5.4530   67.862   5.7763 4.000900 7.943580 
1 1 1   18   10    9 o  112.901   6.1325  1537.42  162.878  1637.20  230.433  1437.80  230.255  115.409   8.5158  107.797   9.1315 7.611107 12.48606 
1 1 1   18   10   10 o   22.581   1.8041   60.693   9.5394   71.500   13.527   50.000   13.455   24.458   2.3719   20.334   2.8829 4.123655 3.733258 
1 1 1   18   10   11 o   34.451   2.1925  141.080   17.743  168.200   25.148  114.200   25.037   37.549   2.8577   30.798   3.5052 6.751234 4.522466 
1 1 1   18   10   12 o   50.043   2.8555  298.099   33.604  360.600   47.580  235.900   47.465   54.916   3.6906   44.182   4.6178 10.73434 5.911434 
1 1 1   18   10   13 o  108.425   5.9066  1423.84  150.657  1528.80  213.175  1319.10  212.949  111.103   8.1831  102.749   8.8635 8.353661 12.06332 
1 1 1   18   10   14 o  130.578   7.0208  2088.39  215.685  2325.00  305.227  1852.40  304.822  135.729   9.5849  119.984   10.877 15.74464 14.49755 
1 1 1   18   10   15 o   67.782   3.9204  550.520   62.481  573.100   88.226  527.800   88.498   68.689   5.4851   65.809   5.7527 2.879654 7.948574 
1 1 1   18   10   16 o  111.386   5.8778  1510.29  154.053  1739.70  218.085  1281.80  217.643  118.200   7.8583  100.356   9.2895 17.84433 12.16750 
1 1 1   18   10   17 o   73.556   4.1048  650.434   71.012  716.700  100.476  584.300  100.376   76.651   5.5897   68.896   6.2374 7.755013 8.375545 
1 1 1   18   10   18 o   34.215   2.2379  139.462   17.981  166.300   25.471  112.800   25.387   37.267   2.9176   30.519   3.5914 6.748047 4.627165 
1 1 1   18   10   19 o  124.676   6.8156  1926.62  199.894  2139.40  282.876  1714.40  282.511  128.745   9.3690  113.816   10.635 14.92913 14.17312 
1 1 1   18   10   20 o   44.358   2.7033  234.999   28.180  272.300   39.880  197.800   39.826   47.566   3.5768   40.329   4.2458 7.237549 5.551564 
1 1 1   18   10   21 o   33.937   2.1711  137.267   17.308  176.700   24.518   98.100   24.435   38.429   2.7194   28.365   3.7393 10.06385 4.623555 
1 1 1   18   10   22 o   50.597   3.0069  306.664   35.764  351.600   50.598  261.800   50.557   53.901   4.0039   46.247   4.6946 7.653927 6.170134 
1 1 1   18   10   23 o   57.291   3.4232  394.828   46.099  418.300   65.086  371.200   65.302   58.484   4.7541   54.932   5.0922 3.551949 6.966449 
1 1 1   18   10   24 o   96.936   5.6621  1164.39  129.041  1326.10  182.300  1002.00  182.683  101.528   7.6603   86.811   9.0446 14.71749 11.85264 
1 1 1   18   10   25 f   9.2693   1.7043   10.510   3.5930   11.200   5.0452   9.8000   5.1182   9.5124   2.2765   8.9174   2.3845 0.5950155 3.296647 
1 1 1   18   10   26 o   61.088   3.3653  450.953   48.357  561.200   68.480  341.300   68.295   67.687   4.3068   52.024   5.6502 15.66336 7.104443 
1 1 1   18   10   27 o   35.680   2.2367  152.444   18.750  183.200   26.584  122.000   26.449   38.947   2.9116   31.531   3.6177 7.416046 4.643865 
1 1 1   18   10   28 o   31.676   2.2109  120.398   16.434  124.800   23.247  116.000   23.235   32.006   3.1154   30.807   3.2427 1.199020 4.496766 
1 1 1   18   10   29 o   9.8669   1.5316   11.836   3.4527   16.300   5.0788   8.0000   4.7081   11.540   1.9321   8.0841   2.3353 3.455959 3.030924 
1 1 1   18   10   30 o   16.666   1.6650   33.383   6.4646   37.600   9.2172   29.300   9.0693   17.572   2.2747   15.404   2.5848 2.167433 3.443204 
1 1 1   18   10   31 o   10.310   1.6502   12.970   3.8820   12.400   5.5917   13.500   5.3936   9.9589   2.4049   10.411   2.2588 -0.4523783 3.299385 
1 1 1   18   10   32 o   13.016   1.6781   20.525   5.0376   19.900   7.2793   21.100   6.9787   12.628   2.5293   13.053   2.3506 -0.4247942 3.452930 
1 1 1   18   10   33 o   30.377   2.0222  111.050   14.422  128.000   20.487   94.400   20.306   32.390   2.7034   27.609   3.1722 4.780783 4.167874 
1 1 1   18   10   34 o   14.199   2.4490   25.000   7.9148   25.000   7.9148   0.0000   0.0000   14.199   2.4490  ?   ?  0.000000 2.448985 
1 1 1   18   10   35 o   18.534   2.5876   42.400   11.016   42.400   11.016   0.0000   0.0000   18.534   2.5876  ?   ?  0.000000 2.587567 
1 1 1   18   10   36 o   21.001   2.7112   54.600   13.131   54.600   13.131   0.0000   0.0000   21.001   2.7112  ?   ?  0.000000 2.711175 
1 1 1   18   10   37 o   16.104   2.5225   32.300   9.2774   32.300   9.2774   0.0000   0.0000   16.104   2.5225  ?   ?  0.000000 2.522525 
1 1 1   18   10   38 o   18.660   2.6300   43.500   11.268   43.500   11.268   0.0000   0.0000   18.660   2.6300  ?   ?  0.000000 2.630035 
1 1 1   18   10   39 o   23.011   2.8237   66.600   15.021   66.600   15.021   0.0000   0.0000   23.011   2.8237  ?   ?  0.000000 2.823656 
1 1 1   18   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   10   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11    0 o   24.385   2.8763   73.200   15.957   73.200   15.957   73.200   15.957   24.385   2.8763   24.385   2.8763 0.000000 0.000000 
1 1 1   18   11    1 o  103.401   5.6456  1282.47  137.326  1328.20  194.265  1236.80  194.152  104.448   7.9358  100.652   8.2411 3.796288 11.44082 
1 1 1   18   11    2 o   68.341   3.8721  556.600   62.229  520.300   88.006  592.900   88.006   65.699   5.7300   70.254   5.3450 -4.554268 7.835981 
1 1 1   18   11    3 o   61.708   3.5483  453.451   51.487  452.800   72.862  454.100   72.764   61.394   5.0714   61.485   5.0565 -0.9189606E-01 7.161453 
1 1 1   18   11    4 o   76.849   4.2845  704.934   77.440  739.100  109.543  670.800  109.492   78.302   5.9694   74.492   6.2833 3.810616 8.666783 
1 1 1   18   11    5 o  140.352   7.3245  2387.50  241.909  2757.30  342.389  2018.90  341.833  149.395   9.7592  126.607   11.561 22.78748 15.12973 
1 1 1   18   11    6 o   23.247   1.8511   64.312   10.077   80.400   14.268   48.300   14.235   25.956   2.3535   19.944   3.1251 6.011745 3.912211 
1 1 1   18   11    7 o   78.987   4.3248  745.459   80.358  837.100  113.700  654.000  113.588   83.330   5.8148   73.369   6.6278 9.960068 8.816965 
1 1 1   18   11    8 o   57.753   3.1923  397.039   43.366  474.200   61.414  320.300   61.245   62.964   4.1539   51.502   5.1032 11.46276 6.580063 
1 1 1   18   11    9 o   36.140   2.2995  155.270   19.521  176.800   27.659  133.900   27.556   38.478   3.0697   33.378   3.5507 5.100143 4.693635 
1 1 1   18   11   10 o   49.369   2.8701  290.091   33.315  364.100   47.149  216.300   47.080   55.206   3.6372   42.262   4.8029 12.94382 6.024652 
1 1 1   18   11   11 o   37.776   2.4310  169.786   21.570  178.600   30.529  161.000   30.480   38.614   3.3822   36.615   3.5707 1.998756 4.918217 
1 1 1   18   11   12 o   50.440   3.0261  303.256   35.877  335.100   50.732  271.400   50.742   52.831   4.0987   47.406   4.5904 5.425106 6.153924 
1 1 1   18   11   13 o   40.579   2.4465  195.934   23.333  231.900   33.052  160.200   32.945   44.048   3.1995   36.444   3.8883 7.604160 5.035423 
1 1 1   18   11   14 o   86.905   4.7771  909.416   97.655  982.800  138.185  836.200  138.026   89.588   6.5780   82.321   7.1721 7.267326 9.731896 
1 1 1   18   11   15 o   98.800   5.3225  1181.94  123.715  1314.60  175.101  1049.70  174.819  103.147   7.2348   91.557   8.1719 11.59016 10.91431 
1 1 1   18   11   16 o   56.716   3.2994  384.675   43.997  398.100   62.280  371.300   62.162   57.352   4.6384   55.325   4.8059 2.026611 6.679205 
1 1 1   18   11   17 o   50.261   2.8160  301.396   33.287  365.300   47.151  237.900   47.000   55.166   3.6400   44.237   4.5649 10.92922 5.838515 
1 1 1   18   11   18 o   76.064   3.9271  695.268   70.295  856.800   99.561  534.700   99.263   83.999   5.0428   65.666   6.4863 18.33263 8.215982 
1 1 1   18   11   19 o   54.136   3.1690  350.818   40.334  380.500   57.072  321.200   57.011   56.059   4.3453   51.350   4.7557 4.709255 6.441953 
1 1 1   18   11   20 o   59.394   3.4780  423.517   48.567  468.000   68.671  379.000   68.696   62.023   4.7243   55.563   5.3001 6.460461 7.100010 
1 1 1   18   11   21 o   30.080   2.0675  107.876   14.597  120.700   20.703   95.200   20.583   31.707   2.7938   28.058   3.1617 3.648792 4.219221 
1 1 1   18   11   22 o   37.211   3.4991  167.400   30.385  167.400   30.385   0.0000   0.0000   37.211   3.4991  ?   ?  0.000000 3.499073 
1 1 1   18   11   23 f   44.688   3.9809  242.700   41.568  242.700   41.568   0.0000   0.0000   44.688   3.9809  ?   ?  0.000000 3.980852 
1 1 1   18   11   24 o   31.709   2.2410  120.192   16.672  129.200   23.523  111.100   23.632   32.709   3.0819   30.242   3.3664 2.466709 4.564076 
1 1 1   18   11   25 o   18.854   1.7825   42.562   7.8417   45.300   11.066   39.800   11.114   19.335   2.4810   18.061   2.6878 1.273520 3.657751 
1 1 1   18   11   26 o   46.026   2.7512  254.608   29.764  288.500   42.182  221.000   42.005   48.669   3.6981   42.344   4.2587 6.324726 5.640253 
1 1 1   18   11   27 o   43.429   2.6936  227.063   27.487  246.000   38.911  208.200   38.835   44.834   3.7087   41.079   4.0565 3.755051 5.496317 
1 1 1   18   11   28 o   42.531   2.5637  217.845   25.627  262.700   36.306  173.300   36.180   46.416   3.3346   37.301   4.1795 9.115414 5.346754 
1 1 1   18   11   29 o   36.049   2.3234  156.359   19.672  181.700   27.871  131.200   27.771   38.607   3.0829   32.542   3.6785 6.064304 4.799512 
1 1 1   18   11   30 o   15.533   1.6420   29.036   5.9314   34.100   8.4421   24.100   8.3354   16.736   2.1886   13.923   2.6317 2.812991 3.422823 
1 1 1   18   11   31 o   8.2481   1.6091   8.3759   3.0215   9.4000   4.3255   7.4000   4.2225   8.6870   2.1259   7.7545   2.2027 0.9325056 3.061283 
1 1 1   18   11   32 o   13.039   1.7097   20.618   5.1375   17.800   7.3577   23.300   7.1768   11.901   2.6823   13.746   2.2917 -1.844688 3.528023 
1 1 1   18   11   33 o   48.851   2.9311  291.720   33.655  328.300   47.647  255.300   47.543   51.116   3.9789   44.610   4.5782 6.505642 6.065587 
1 1 1   18   11   34 o   17.696   1.5910   37.633   6.5771   45.300   9.4401   30.400   9.1688   19.313   2.1040   15.656   2.5692 3.656404 3.320805 
1 1 1   18   11   35 o   28.638   3.0617  101.600   20.384  101.600   20.384   0.0000   0.0000   28.638   3.0617  ?   ?  0.000000 3.061726 
1 1 1   18   11   36 o   44.862   4.2091  259.200   44.068  259.200   44.068   0.0000   0.0000   44.862   4.2091  ?   ?  0.000000 4.209119 
1 1 1   18   11   37 o   4.2534   1.7134   1.0000   2.6451   1.0000   2.6451   0.0000   0.0000   4.2534   1.7134  ?   ?  0.000000 1.713388 
1 1 1   18   11   38 o   13.988   2.4946   24.600   7.9376   24.600   7.9376   0.0000   0.0000   13.988   2.4946  ?   ?  0.000000 2.494630 
1 1 1   18   11   39 o   11.402   2.5323   16.600   6.6407   16.600   6.6407   0.0000   0.0000   11.402   2.5323  ?   ?  0.000000 2.532272 
1 1 1   18   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   11   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12    0 o   42.231   3.8669  216.500   37.819  216.500   37.819  216.500   37.819   42.231   3.8669   42.231   3.8669 0.000000 0.000000 
1 1 1   18   12    1 o  146.084   7.8217  2595.46  268.837  2828.50  380.427  2363.00  379.959  150.589   10.769  136.791   11.881 13.79767 16.03551 
1 1 1   18   12    2 o   35.159   2.3460  146.961   19.365  134.700   27.399  159.200   27.374   33.502   3.5158   36.496   3.2089 -2.994106 4.760028 
1 1 1   18   12    3 o   57.484   3.3343  393.439   45.065  403.300   63.766  383.600   63.697   57.966   4.6991   56.499   4.8205 1.467220 6.731923 
1 1 1   18   12    4 o   41.546   2.6063  205.248   25.440  192.000   35.975  218.500   35.980   40.004   3.8561   42.740   3.5985 -2.735237 5.274348 
1 1 1   18   12    5 o   51.873   3.0577  320.229   37.288  335.600   52.769  304.900   52.697   52.915   4.2592   50.380   4.4763 2.535229 6.178816 
1 1 1   18   12    6 o   47.538   2.8799  268.902   32.176  263.700   45.512  274.100   45.495   46.876   4.1546   47.814   4.0681 -0.9379539 5.814647 
1 1 1   18   12    7 o   60.012   3.4482  429.278   48.659  471.500   68.832  387.100   68.796   62.662   4.6857   56.627   5.2031 6.035160 7.002027 
1 1 1   18   12    8 o   87.692   4.8598  922.493  100.239  937.000  141.792  908.000  141.726   87.686   6.9038   86.266   7.0183 1.420174 9.844699 
1 1 1   18   12    9 o   98.851   5.3394  1176.09  124.173  1297.70  175.721  1054.80  175.494  103.033   7.2691   92.446   8.1215 10.58690 10.89951 
1 1 1   18   12   10 o   34.723   2.2234  143.364   18.134  172.400   25.706  114.600   25.585   38.007   2.8858   30.831   3.5811 7.176104 4.599119 
1 1 1   18   12   11 o   25.510   1.9053   77.441   11.394   87.100   16.163   67.900   16.065   26.982   2.5678   23.738   2.9280 3.244087 3.894468 
1 1 1   18   12   12 o   20.466   1.7963   49.942   8.5933   54.300   12.164   45.600   12.141   21.259   2.4691   19.416   2.7231 1.843018 3.675782 
1 1 1   18   12   13 o   16.401   1.7793   32.206   6.7805   35.800   9.4542   28.400   9.7298   17.214   2.3903   15.227   2.8094 1.986856 3.688682 
1 1 1   18   12   14 o   46.016   2.7432  252.379   29.673  282.600   42.013  222.300   41.914   48.525   3.6943   42.897   4.1914 5.628040 5.587057 
1 1 1   18   12   15 o  118.716   6.3549  1726.24  177.502  1936.10  251.243  1517.10  250.810  123.887   8.6424  108.533   9.8952 15.35406 13.13796 
1 1 1   18   12   16 o   22.923   1.7907   62.599   9.6160   76.700   13.648   48.700   13.551   25.322   2.3078   20.019   2.9554 5.303177 3.749723 
1 1 1   18   12   17 o   26.181   1.9761   81.689   12.126   87.200   17.167   76.200   17.132   26.943   2.7362   25.132   2.9424 1.810869 4.018020 
1 1 1   18   12   18 o   71.360   3.8693  612.144   64.956  711.600   91.957  513.100   91.766   76.456   5.1231   64.451   6.1023 12.00482 7.967698 
1 1 1   18   12   19 o   58.982   3.3423  417.035   46.360  474.100   65.629  360.200   65.497   62.539   4.4736   54.221   5.1785 8.317955 6.843290 
1 1 1   18   12   20 o   34.852   2.2886  144.891   18.730  165.300   26.528  124.600   26.450   37.096   3.0555   32.066   3.5530 5.030632 4.686126 
1 1 1   18   12   21 o   48.600   2.8601  282.623   32.678  321.000   46.261  244.400   46.168   51.546   3.8280   44.760   4.4261 6.786091 5.851797 
1 1 1   18   12   22 o   60.510   3.6653  441.466   52.125  524.000   73.621  358.500   73.813   65.476   4.7949   53.596   5.9317 11.88060 7.627378 
1 1 1   18   12   23 o   49.873   3.1035  298.854   36.368  327.800   51.296  269.600   51.569   51.869   4.2248   46.821   4.7291 5.047943 6.341443 
1 1 1   18   12   24 o   78.205   4.5450  747.690   83.571  889.400  118.129  605.700  118.246   84.295   5.9733   68.428   7.4377 15.86740 9.539372 
1 1 1   18   12   25 o   28.667   2.1238   98.341   14.275  111.700   20.157   84.900   20.218   30.412   2.8397   26.360   3.3219 4.051722 4.370205 
1 1 1   18   12   26 o   27.834   2.0388   92.728   13.307  114.900   18.829   70.600   18.810   30.877   2.6067   23.945   3.4242 6.932421 4.303555 
1 1 1   18   12   27 o   16.964   1.7424   34.569   6.8806   35.800   9.6560   33.300   9.8069   17.127   2.4580   16.473   2.6080 0.6539841 3.583805 
1 1 1   18   12   28 o   56.247   3.2739  385.344   43.296  445.200   61.284  325.700   61.176   59.772   4.3723   50.530   5.2014 9.242378 6.794977 
1 1 1   18   12   29 o   36.896   2.4243  164.133   21.004  173.500   29.732  154.800   29.677   37.577   3.3871   35.388   3.6016 2.188915 4.944116 
1 1 1   18   12   30 o   3.0440   1.1990   0.6135   1.2668   3.9000   2.2561  -0.9000   1.5310   5.6550   1.6114   2.5730   1.1665 3.082038 1.989265 
1 1 1   18   12   31 o   1.6842   0.7874  -0.7757   0.7780   3.6000   2.0643  -1.5000   0.8399   5.4306   1.5393   1.5137   0.7364 3.916964 1.706373 
1 1 1   18   12   32 o   17.939   1.6903   38.717   7.0758   43.700   10.093   33.900   9.9226   18.927   2.3059   16.552   2.6264 2.374453 3.495032 
1 1 1   18   12   33 o   7.1974   1.5901   6.4136   2.6305   8.9000   3.8806   4.3000   3.5779   8.4534   1.9790   6.1763   2.0761 2.277106 2.868212 
1 1 1   18   12   34 o   18.416   1.6672   40.808   7.1713   54.200   10.177   27.600   10.107   21.150   2.0641   14.779   2.9985 6.370499 3.640249 
1 1 1   18   12   35 o   54.923   3.0754  371.775   39.725  457.600   56.271  286.500   56.090   60.111   3.9869   46.418   5.2071 13.69387 6.558132 
1 1 1   18   12   36 o   6.0415   1.9985   4.2000   3.3176   4.2000   3.3176   0.0000   0.0000   6.0415   1.9985  ?   ?  0.000000 1.998469 
1 1 1   18   12   37 o   7.1937   2.2077   6.3000   4.1090   6.3000   4.1090   0.0000   0.0000   7.1937   2.2077  ?   ?  0.000000 2.207701 
1 1 1   18   12   38 o   23.481   2.8542   69.200   15.500   69.200   15.500   0.0000   0.0000   23.481   2.8542  ?   ?  0.000000 2.854213 
1 1 1   18   12   39 o   19.962   2.7866   50.400   12.777   50.400   12.777   0.0000   0.0000   19.962   2.7866  ?   ?  0.000000 2.786622 
1 1 1   18   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   12   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13    0 o   60.652   5.0893  446.100   71.709  446.100   71.709  446.100   71.709   60.652   5.0893   60.652   5.0893 0.000000 0.000000 
1 1 1   18   13    1 o   38.848   2.5120  179.471   22.920  187.100   32.368  171.800   32.459   39.537   3.5033   37.845   3.6786 1.691570 5.079873 
1 1 1   18   13    2 o   83.832   4.6741  841.265   92.158  918.700  130.319  763.800  130.344   87.116   6.3794   79.172   7.0456 7.943977 9.504589 
1 1 1   18   13    3 o  142.409   7.7152  2473.04  258.476  2671.70  365.689  2274.70  365.393  145.949   10.685  133.859   11.677 12.08974 15.82772 
1 1 1   18   13    4 o   65.196   3.6199  506.781   55.509  612.200   78.546  401.600   78.457   71.455   4.6810   57.531   5.8569 13.92439 7.497643 
1 1 1   18   13    5 o   38.773   2.4413  178.760   22.238  193.300   31.493  164.300   31.405   40.206   3.3476   36.998   3.6419 3.207382 4.946694 
1 1 1   18   13    6 o   70.332   3.9747  590.945   65.740  598.100   93.005  583.800   92.937   70.343   5.6467   69.472   5.7159 0.8709946 8.034739 
1 1 1   18   13    7 o  132.621   7.2099  2144.27  224.941  2324.00  318.228  1964.80  318.002  136.167   9.9662  124.421   10.935 11.74644 14.79505 
1 1 1   18   13    8 o   10.874   1.5354   14.256   3.8327   22.900   5.4504   5.8000   5.3905   13.810   1.7077   7.3705   2.5469 6.439685 3.066434 
1 1 1   18   13    9 o   51.137   2.9910  311.538   35.959  345.800   50.901  277.400   50.808   53.694   4.0442   47.954   4.5410 5.740211 6.080840 
1 1 1   18   13   10 o   39.223   2.3383  182.947   21.559  222.800   30.567  143.500   30.411   43.206   3.0149   34.495   3.7963 8.711189 4.847877 
1 1 1   18   13   11 o   42.294   2.6443  213.050   26.277  212.900   37.154  213.200   37.168   42.090   3.7785   42.120   3.7771 -0.3019714E-01 5.342546 
1 1 1   18   13   12 o  146.673   8.2045  2673.82  283.021  2586.10  400.294  2761.50  400.211  140.075   12.225  145.322   11.764 -5.247116 16.96525 
1 1 1   18   13   13 o  107.899   6.2659  1421.72  158.961  1561.70  224.351  1280.60  225.260  111.517   8.5857  100.151   9.6443 11.36612 12.91224 
1 1 1   18   13   14 o   78.969   4.3431  750.328   80.678  833.600  114.179  667.300  114.012   82.616   5.8913   73.539   6.6370 9.076736 8.874573 
1 1 1   18   13   15 o   73.801   4.0891  654.799   70.983  725.600  100.456  584.200  100.314   77.132   5.5526   68.877   6.2353 8.254463 8.349244 
1 1 1   18   13   16 o   23.266   1.8540   64.526   10.101   76.500   14.300   52.600   14.271   25.269   2.4263   20.812   2.9897 4.457739 3.850398 
1 1 1   18   13   17 o   6.4380   1.5722   5.1021   2.3694   6.6000   3.4076   3.7000   3.2969   7.3328   1.9385   5.8366   1.9928 1.496210 2.780103 
1 1 1   18   13   18 o   39.554   2.4859  186.665   23.101  207.800   32.697  165.600   32.643   41.571   3.3595   36.983   3.7915 4.588272 5.065730 
1 1 1   18   13   19 o   54.573   3.2057  356.882   41.129  409.200   58.176  304.600   58.156   58.131   4.2680   49.864   5.0066 8.266212 6.578899 
1 1 1   18   13   20 o   22.507   1.7620   60.399   9.2901   74.900   13.185   46.100   13.092   25.010   2.2568   19.447   2.9430 5.563475 3.708707 
1 1 1   18   13   21 o   65.113   3.8380  511.596   58.749  533.300   82.808  489.600   83.363   65.816   5.3751   62.898   5.6738 2.917866 7.815629 
1 1 1   18   13   22 o   40.302   2.5120  194.189   23.788  225.700   33.674  162.800   33.608   43.270   3.3210   36.537   3.9587 6.732586 5.167239 
1 1 1   18   13   23 f   48.766   4.2730  290.500   48.709  290.500   48.709   0.0000   0.0000   48.766   4.2730  ?   ?  0.000000 4.272969 
1 1 1   18   13   24 o   31.138   3.1448  117.500   22.806  117.500   22.806   0.0000   0.0000   31.138   3.1448  ?   ?  0.000000 3.144750 
1 1 1   18   13   25 o   12.470   1.7021   18.797   4.8810   23.300   6.8676   14.200   6.9386   13.822   2.1760   10.689   2.7372 3.133801 3.496727 
1 1 1   18   13   26 o   44.565   2.4465  238.237   25.647  311.400   36.399  166.100   36.142   50.757   3.0511   36.571   4.2653 14.18584 5.244245 
1 1 1   18   13   27 o   52.227   3.0434  330.494   37.370  382.200   52.929  279.100   52.769   55.639   4.0565   47.080   4.8144 8.559151 6.295521 
1 1 1   18   13   28 o   51.366   2.8877  319.602   34.884  397.300   49.461  242.700   49.207   56.837   3.7056   43.731   4.8466 13.10521 6.100924 
1 1 1   18   13   29 o   28.181   2.0971   95.511   13.855   99.400   19.567   91.600   19.621   28.503   2.9498   27.301   3.0984 1.201990 4.278043 
1 1 1   18   13   30 o   30.008   2.1298  108.417   14.993  117.500   21.242   99.400   21.165   30.983   2.9386   28.374   3.2157 2.608349 4.356147 
1 1 1   18   13   31 o   49.596   2.9399  300.139   34.277  349.900   48.553  250.700   48.396   52.919   3.9132   44.208   4.7085 8.711201 6.122394 
1 1 1   18   13   32 o   17.518   1.7154   36.961   7.0051   39.600   9.9825   34.400   9.8326   17.974   2.4129   16.687   2.5784 1.286737 3.531302 
1 1 1   18   13   33 o   13.151   1.5610   20.892   4.7532   29.000   6.8351   13.300   6.6143   15.452   1.9143   10.285   2.6921 5.167015 3.303311 
1 1 1   18   13   34 o   50.748   2.7578  314.263   32.924  388.700   46.780  241.200   46.346   55.862   3.5650   43.192   4.6155 12.66936 5.831960 
1 1 1   18   13   35 o   29.834   2.1207  107.743   14.843  113.800   21.092  101.800   20.892   30.310   2.9858   28.578   3.1481 1.731436 4.338816 
1 1 1   18   13   36 o   9.7885   1.4407   11.669   3.2304   17.200   4.8323   7.2000   4.3437   11.849   1.7823   7.6429   2.2533 4.205886 2.872980 
1 1 1   18   13   37 o   35.955   3.5875  165.200   30.052  165.200   30.052   0.0000   0.0000   35.955   3.5875  ?   ?  0.000000 3.587488 
1 1 1   18   13   38 o   12.720   2.5045   20.500   7.2549   20.500   7.2549   0.0000   0.0000   12.720   2.5045  ?   ?  0.000000 2.504481 
1 1 1   18   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   13   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14    0 o   24.246   2.8586   72.400   15.770   72.400   15.770   72.400   15.770   24.246   2.8586   24.246   2.8586 0.000000 0.000000 
1 1 1   18   14    1 f   31.504   2.1846  118.047   16.151  114.300   22.833  121.800   22.849   30.869   3.1778   31.892   3.0721 -1.022810 4.419985 
1 1 1   18   14    2 o   24.661   1.9037   72.373   11.000   79.300   15.587   65.500   15.526   25.739   2.6002   23.326   2.8799 2.412575 3.880019 
1 1 1   18   14    3 o   59.548   3.3566  422.595   47.006  469.200   66.552  376.200   66.401   62.523   4.5387   55.824   5.0933 6.699020 6.822113 
1 1 1   18   14    4 o   45.056   2.6759  241.497   28.342  292.300   40.122  190.900   40.041   49.471   3.4563   39.771   4.3337 9.699528 5.543224 
1 1 1   18   14    5 f   36.891   2.3635  161.861   20.481  183.500   28.990  140.300   28.938   39.184   3.1600   34.150   3.6447 5.033916 4.823858 
1 1 1   18   14    6 o  109.752   5.8439  1455.27  150.906  1635.70  213.581  1275.40  213.246  115.321   7.8906  101.141   9.0235 14.17908 11.98689 
1 1 1   18   14    7 o   55.687   3.2537  369.791   42.598  378.600   60.273  361.000   60.213   56.078   4.5919   54.723   4.7055 1.354485 6.574747 
1 1 1   18   14    8 o   78.551   4.1552  738.737   76.798  853.700  108.758  624.400  108.462   84.030   5.5116   71.469   6.4978 12.56091 8.520520 
1 1 1   18   14    9 o   82.270   4.6039  813.105   89.081  800.200  126.006  826.000  125.954   80.862   6.6583   82.212   6.5421 -1.350456 9.334463 
1 1 1   18   14   10 o   69.044   3.7014  569.904   60.127  694.000   85.116  446.300   84.948   75.912   4.7726   60.427   6.0340 15.48515 7.693295 
1 1 1   18   14   11 o  144.170   7.8492  2574.46  266.209  2839.60  376.681  2309.90  376.271  148.373   10.826  132.292   12.182 16.08122 16.29715 
1 1 1   18   14   12 o   4.3189   1.4476   2.0642   1.7394   3.2000   2.5670   1.1000   2.3651   5.3303   1.7577   4.1433   1.6363 1.187041 2.401412 
1 1 1   18   14   13 o   84.816   4.5923  867.156   91.633  961.200  129.758  773.600  129.420   88.555   6.2452   79.021   7.0086 9.534401 9.387385 
1 1 1   18   14   14 o   86.274   4.8455  900.215   98.314  970.900  139.022  829.500  139.052   88.673   6.6887   81.588   7.2944 7.084381 9.896822 
1 1 1   18   14   15 o   48.889   2.9245  285.481   33.608  308.500   47.548  262.500   47.509   50.580   4.0140   46.538   4.3745 4.042461 5.937046 
1 1 1   18   14   16 o   42.634   2.6666  216.953   26.711  220.100   37.759  213.800   37.790   42.712   3.7829   42.076   3.8460 0.6353683 5.394626 
1 1 1   18   14   17 o   50.703   3.0325  307.543   36.141  336.000   51.118  279.100   51.105   52.717   4.1397   47.889   4.5748 4.827782 6.169767 
1 1 1   18   14   18 o   92.394   5.0313  1039.04  109.356  1170.80  154.775  907.700  154.531   96.915   6.8063   84.562   7.8277 12.35346 10.37297 
1 1 1   18   14   19 o   33.786   2.1342  136.030   16.939  164.700   24.028  107.700   23.885   37.082   2.7639   29.801   3.4584 7.280893 4.427113 
1 1 1   18   14   20 o   33.694   2.2645  135.487   17.912  146.500   25.346  124.500   25.317   34.883   3.1097   32.073   3.3944 2.810345 4.603468 
1 1 1   18   14   21 o   24.753   1.9142   73.126   11.102   93.700   15.710   52.600   15.691   27.962   2.4026   20.706   3.3215 7.255762 4.099341 
1 1 1   18   14   22 o   30.263   2.1393  109.389   15.190  114.300   21.506  104.500   21.457   30.773   2.9976   29.380   3.1416 1.393379 4.342245 
1 1 1   18   14   23 o   32.731   2.2931  128.160   17.611  136.100   24.813  120.100   25.000   33.541   3.1704   31.425   3.4244 2.116043 4.666707 
1 1 1   18   14   24 o   65.595   3.7356  522.531   57.623  580.600   81.575  464.700   81.407   68.361   5.0898   60.707   5.7472 7.654022 7.677061 
1 1 1   18   14   25 o   28.389   1.9433   96.335   12.949  118.300   18.382   74.700   18.244   31.356   2.5036   24.701   3.2032 6.655090 4.065540 
1 1 1   18   14   26 f   15.350   2.4767   28.900   8.6716   28.900   8.6716   0.0000   0.0000   15.350   2.4767  ?   ?  0.000000 2.476660 
1 1 1   18   14   27 o   60.774   3.5853  452.282   51.224  500.300   72.456  404.300   72.429   62.965   4.9120   56.081   5.5418 6.884281 7.405373 
1 1 1   18   14   28 o   46.303   2.8441  259.911   30.946  283.800   43.801  236.100   43.729   47.850   3.9107   43.387   4.3258 4.462208 5.831485 
1 1 1   18   14   29 o   27.006   1.9815   87.631   12.548  101.900   17.789   73.500   17.702   28.950   2.6309   24.388   3.1474 4.562368 4.102135 
1 1 1   18   14   30 o   17.863   1.5957   38.293   6.6598   53.900   9.4982   23.200   9.3406   21.150   1.9228   13.561   2.9967 7.588620 3.560514 
1 1 1   18   14   31 o   23.687   1.8650   67.460   10.347   81.500   14.681   53.600   14.586   25.897   2.4291   20.763   3.0673 5.134033 3.912641 
1 1 1   18   14   32 o   22.197   1.7480   59.188   9.0880   77.200   12.930   41.600   12.776   25.255   2.1897   18.226   3.0783 7.029392 3.777640 
1 1 1   18   14   33 o   32.087   2.3390  124.790   17.601  150.900   24.825   98.400   24.958   35.005   3.0332   27.825   3.9060 7.179867 4.945448 
1 1 1   18   14   34 o   18.855   1.8076   42.923   7.9493   47.700   11.215   38.100   11.269   19.709   2.4637   17.472   2.8280 2.236549 3.750626 
1 1 1   18   14   35 o   9.3492   1.6081   10.733   3.4221   13.500   4.9496   8.2000   4.7366   10.408   2.0865   8.1308   2.3405 2.277597 3.135495 
1 1 1   18   14   36 o   13.390   1.5095   21.690   4.6898   28.600   6.8224   15.500   6.4573   15.298   1.9317   11.061   2.5276 4.236940 3.181239 
1 1 1   18   14   37 o   23.568   2.8222   69.500   15.393   69.500   15.393   0.0000   0.0000   23.568   2.8222  ?   ?  0.000000 2.822155 
1 1 1   18   14   38 o   12.030   2.7275   18.600   7.5696   18.600   7.5696   0.0000   0.0000   12.030   2.7275  ?   ?  0.000000 2.727523 
1 1 1   18   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   14   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15    0 o   19.562   2.7074   47.800   11.823   47.800   11.823   47.800   11.823   19.562   2.7074   19.562   2.7074 0.000000 0.000000 
1 1 1   18   15    1 o   88.444   4.8925  939.467  101.783  957.600  144.074  921.400  143.813   88.547   6.9462   86.792   7.0787 1.754623 9.917562 
1 1 1   18   15    2 o  115.908   6.3652  1629.33  173.549  1695.40  245.475  1563.30  245.395  116.745   8.9731  111.818   9.3804 4.926720 12.98115 
1 1 1   18   15    3 o   50.837   2.9943  307.853   35.787  342.800   50.644  273.000   50.576   53.469   4.0409   47.575   4.5577 5.894386 6.091140 
1 1 1   18   15    4 o   85.295   4.7413  873.592   95.118  909.800  134.533  837.400  134.502   86.365   6.6478   82.715   6.9507 3.650909 9.617960 
1 1 1   18   15    5 o   18.423   1.6804   40.478   7.2300   48.900   10.269   32.200   10.181   20.203   2.1874   16.254   2.7508 3.948971 3.514480 
1 1 1   18   15    6 o   47.255   2.8754  266.056   31.933  257.400   45.176  274.700   45.144   46.243   4.1824   47.814   4.0361 -1.571041 5.812326 
1 1 1   18   15    7 o   72.446   4.0393  628.414   68.826  667.700   97.442  589.300   97.227   74.216   5.6014   69.571   5.9763 4.645065 8.190933 
1 1 1   18   15    8 o   89.964   4.9532  974.837  104.820  1033.80  148.318  916.000  148.159   91.822   6.8907   86.184   7.3504 5.638702 10.07521 
1 1 1   18   15    9 o   43.283   2.6631  223.167   27.087  235.800   38.356  210.600   38.257   44.317   3.6990   41.821   3.9197 2.496380 5.389482 
1 1 1   18   15   10 o  100.778   5.5310  1230.97  131.120  1334.90  185.501  1127.20  185.363  103.777   7.6231   94.865   8.3602 8.911880 11.31397 
1 1 1   18   15   11 o   57.238   3.3398  391.642   44.944  385.200   63.523  398.100   63.600   56.390   4.8167   57.356   4.7382 -0.9659195 6.756569 
1 1 1   18   15   12 o   62.093   3.5829  461.795   52.310  502.300   73.982  421.300   73.974   64.377   4.9036   58.765   5.3909 5.611740 7.287469 
1 1 1   18   15   13 o   59.318   3.4429  421.289   48.017  435.300   67.932  407.300   67.881   59.898   4.8443   57.871   5.0169 2.027252 6.974023 
1 1 1   18   15   14 o   71.080   4.0489  607.657   67.677  622.300   95.686  593.000   95.732   71.289   5.7327   69.512   5.8876 1.776184 8.217460 
1 1 1   18   15   15 o   20.229   1.8651   48.892   8.8093   51.900   12.277   45.700   12.647   20.745   2.5606   19.395   2.8462 1.349504 3.828543 
1 1 1   18   15   16 o   33.309   2.2836  132.318   17.853  157.600   25.239  107.000   25.257   36.249   2.9748   29.676   3.6834 6.572605 4.734671 
1 1 1   18   15   17 o  119.168   6.4887  1758.80  181.903  2103.20  257.401  1415.20  257.099  128.187   8.5527  102.789   10.751 25.39831 13.73834 
1 1 1   18   15   18 o   56.743   3.3073  386.261   44.123  461.500   62.416  311.100   62.383   61.714   4.3101   50.248   5.3394 11.46557 6.861896 
1 1 1   18   15   19 f   55.616   3.2424  371.104   42.398  433.100   59.982  309.200   59.938   59.758   4.2791   50.136   5.1352 9.621330 6.684385 
1 1 1   18   15   20 o   23.369   1.9174   65.219   10.487   77.300   14.820   53.100   14.843   25.362   2.5074   20.855   3.1090 4.506432 3.994090 
1 1 1   18   15   21 o   48.472   2.8889  281.659   32.916  346.900   46.583  216.600   46.518   53.562   3.7058   41.908   4.7866 11.65444 6.053447 
1 1 1   18   15   22 o   23.577   1.9543   66.462   10.782   81.900   15.218   50.900   15.279   26.096   2.5001   20.348   3.2922 5.748047 4.133931 
1 1 1   18   15   23 o   37.964   2.5423  172.839   22.659  199.100   31.991  146.400   32.099   40.531   3.3732   34.517   4.0131 6.013779 5.242449 
1 1 1   18   15   24 o   14.593   1.6771   25.610   5.6740   23.500   7.9498   27.800   8.1009   13.812   2.5307   15.090   2.3499 -1.277949 3.453539 
1 1 1   18   15   25 o   16.711   1.7604   33.557   6.8420   41.700   9.6423   25.300   9.7102   18.559   2.2459   14.243   2.9827 4.315830 3.733679 
1 1 1   18   15   26 o   35.092   2.3022  147.948   18.971  174.600   26.855  121.400   26.803   37.906   3.0254   31.336   3.6932 6.570158 4.774159 
1 1 1   18   15   27 f   41.859   2.6694  211.710   26.247  249.000   37.114  174.400   37.125   45.044   3.5173   37.296   4.2938 7.747929 5.550486 
1 1 1   18   15   28 o   41.141   2.6147  204.717   25.269  255.500   35.748  154.000   35.725   45.649   3.3395   34.867   4.4398 10.78197 5.555544 
1 1 1   18   15   29 o   14.815   1.6336   26.447   5.6198   31.800   7.9873   21.200   7.9084   16.155   2.1469   13.025   2.6611 3.129963 3.419173 
1 1 1   18   15   30 o   21.427   1.7987   55.185   9.0168   72.600   12.775   37.900   12.728   24.491   2.2336   17.356   3.2243 7.134682 3.922378 
1 1 1   18   15   31 f   20.319   1.8136   49.702   8.6104   50.600   12.165   48.800   12.189   20.304   2.5968   19.917   2.6580 0.3875637 3.715956 
1 1 1   18   15   32 o   26.451   2.1249   84.521   13.160   95.400   18.469   73.300   18.758   27.872   2.8460   24.201   3.3740 3.670757 4.414064 
1 1 1   18   15   33 o   25.823   2.1005   80.611   12.697   95.000   17.858   65.900   18.057   27.825   2.7541   22.871   3.4508 4.954020 4.415097 
1 1 1   18   15   34 o   13.883   1.6023   23.311   5.1566   29.400   7.3790   17.500   7.2089   15.505   2.0669   11.770   2.6568 3.734983 3.366094 
1 1 1   18   15   35 o   17.447   1.7031   36.790   6.9271   43.100   9.8441   30.600   9.7494   18.740   2.2709   15.602   2.7466 3.138084 3.563781 
1 1 1   18   15   36 o   22.968   1.9604   64.063   10.530   70.100   14.816   57.900   14.969   23.754   2.6888   21.412   3.0464 2.341963 4.063276 
1 1 1   18   15   37 o   7.3622   2.1800   6.7000   4.0582   6.7000   4.0582   0.0000   0.0000   7.3622   2.1800  ?   ?  0.000000 2.180049 
1 1 1   18   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   15   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16    0 o  151.199   12.249  2880.70  430.714  2880.70  430.714  2880.70  430.714  151.199   12.249  151.199   12.249 0.000000 0.000000 
1 1 1   18   16    1 o  159.727   8.9229  3177.95  335.204  2844.90  474.048  3511.00  474.051  145.786   13.940  164.127   12.322 -18.34151 18.60517 
1 1 1   18   16    2 o  103.630   5.6985  1298.81  138.910  1351.50  196.531  1246.20  196.367  104.521   8.0241  100.137   8.3815 4.383362 11.60326 
1 1 1   18   16    3 o  123.374   6.7971  1857.68  197.255  1933.90  279.007  1781.50  278.913  123.909   9.6108  118.552   10.058 5.356972 13.91158 
1 1 1   18   16    4 o   10.500   1.6030   13.338   3.8484   11.400   5.4252   15.300   5.4598   9.6196   2.3970   11.180   2.1462 -1.560229 3.217436 
1 1 1   18   16    5 o   26.963   1.9537   86.508   12.355   99.600   17.501   73.500   17.444   28.862   2.5956   24.686   3.0580 4.176262 4.011002 
1 1 1   18   16    6 o   74.943   4.1634  673.300   73.389  706.300  103.945  640.500  103.631   76.224   5.8189   72.458   6.1139 3.766357 8.440344 
1 1 1   18   16    7 o   40.331   2.4930  193.652   23.626  179.300   33.300  208.200   33.526   38.604   3.6983   41.673   3.4376 -3.069775 5.049173 
1 1 1   18   16    8 o  119.737   6.6453  1755.00  187.153  1753.10  264.623  1756.90  264.726  117.429   9.6277  117.564   9.6201 -0.1343994 13.61031 
1 1 1   18   16    9 o   71.054   4.0614  605.886   67.861  646.800   95.928  564.900   96.013   72.896   5.6162   67.933   6.0486 4.963051 8.253894 
1 1 1   18   16   10 o   62.294   3.6007  464.702   52.739  467.200   74.553  462.200   74.617   62.015   5.1373   61.669   5.1718 0.3465309 7.289617 
1 1 1   18   16   11 o   36.879   2.3230  161.982   20.127  201.400   28.506  122.800   28.421   41.037   2.9616   31.816   3.8621 9.221281 4.866930 
1 1 1   18   16   12 o   61.267   3.6094  449.976   51.987  498.600   73.463  401.200   73.578   64.111   4.8895   57.259   5.5099 6.852085 7.366548 
1 1 1   18   16   13 o   35.021   2.3505  146.216   19.325  175.300   27.322  117.100   27.337   38.244   3.0508   31.056   3.8075 7.187994 4.878998 
1 1 1   18   16   14 o   49.810   2.9537  296.486   34.586  358.300   48.938  234.800   48.887   54.565   3.8223   43.852   4.7995 10.71292 6.135552 
1 1 1   18   16   15 o   83.891   4.5097  850.949   89.008  985.600  126.018  716.900  125.736   89.514   5.9965   75.653   7.1221 13.86017 9.310374 
1 1 1   18   16   16 o   16.975   1.8006   34.521   7.1072   43.100   9.9818   25.700   10.122   18.918   2.2804   14.411   3.0684 4.506476 3.823021 
1 1 1   18   16   17 o   51.203   3.0357  313.908   36.540  388.800   51.690  239.100   51.661   56.766   3.8794   44.092   5.0530 12.67442 6.370424 
1 1 1   18   16   18 o   56.285   3.3054  380.240   43.739  414.600   61.864  345.900   61.847   58.377   4.5231   53.119   4.9891 5.258121 6.734248 
1 1 1   18   16   19 o   53.179   3.1461  339.323   39.332  374.300   55.644  304.400   55.602   55.496   4.2792   49.833   4.7839 5.663136 6.418553 
1 1 1   18   16   20 o   24.177   2.0029   69.868   11.332   85.000   15.964   54.500   16.088   26.587   2.5750   21.073   3.3448 5.513817 4.221140 
1 1 1   18   16   21 o   43.032   2.7921  222.091   28.218  268.400   39.846  175.500   39.967   47.090   3.6110   37.714   4.5819 9.375320 5.833795 
1 1 1   18   16   22 o   51.849   3.0255  323.366   36.882  436.300   52.190  210.700   52.128   59.990   3.7023   40.881   5.5428 19.10868 6.665538 
1 1 1   18   16   23 f   33.856   2.4539  137.570   19.485  166.400   27.452  108.300   27.660   37.062   3.1671   29.576   4.0683 7.486837 5.155789 
1 1 1   18   16   24 o   36.252   2.4697  157.891   21.015  178.700   29.656  136.900   29.785   38.325   3.3094   33.325   3.8562 5.000164 5.081609 
1 1 1   18   16   25 o   47.485   2.9312  272.709   32.707  350.400   46.252  195.000   46.257   53.494   3.6840   39.149   5.1269 14.34420 6.313291 
1 1 1   18   16   26 o   75.790   4.6244  719.111   82.366  831.700  116.323  605.900  116.644   79.731   6.2279   66.502   7.5624 13.22921 9.796761 
1 1 1   18   16   27 o   44.857   2.6808  243.311   28.266  295.000   40.028  191.900   39.920   49.023   3.4804   39.028   4.4090 9.995689 5.617112 
1 1 1   18   16   28 o   23.376   2.0796   65.892   11.359   81.400   15.918   49.800   16.215   25.847   2.6453   19.867   3.5884 5.980585 4.458054 
1 1 1   18   16   29 o   66.326   4.1299  551.032   64.361  669.300   90.912  432.200   91.129   71.685   5.4106   55.744   7.0829 15.94121 8.913013 
1 1 1   18   16   30 o   9.2552   1.8339   10.582   3.8663   11.400   5.5286   9.8000   5.4089   9.5468   2.4425   8.8858   2.4822 0.6609850 3.482366 
1 1 1   18   16   31 o   10.731   1.9598   14.204   4.7834   21.300   6.4960   5.8000   7.0698   13.154   2.1668   7.7718   2.8879 5.382158 3.610372 
1 1 1   18   16   32 o   13.115   1.6389   20.830   4.9648   26.300   7.0675   15.500   6.9760   14.658   2.1020   11.088   2.6916 3.570738 3.415088 
1 1 1   18   16   33 o   31.224   2.3549  118.386   17.235  151.900   24.290   84.400   24.460   35.124   2.9561   25.552   4.1999 9.572033 5.135872 
1 1 1   18   16   34 o   9.0039   1.7593   10.035   3.6063   13.600   5.1108   6.5000   5.0896   10.437   2.1453   7.4727   2.4754 2.964660 3.275717 
1 1 1   18   16   35 o   19.730   1.6997   46.988   7.8415   59.100   11.165   35.200   11.015   22.000   2.1779   16.690   2.9002 5.310165 3.626915 
1 1 1   18   16   36 o   36.071   2.4632  159.695   20.855  177.900   29.497  141.500   29.489   37.477   3.3691   33.058   3.8497 4.419258 5.115798 
1 1 1   18   16   37 o   30.549   3.3352  119.400   23.669  119.400   23.669   0.0000   0.0000   30.549   3.3352  ?   ?  0.000000 3.335238 
1 1 1   18   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   16   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17    0 o   65.284   5.4511  518.800   82.685  518.800   82.685  518.800   82.685   65.284   5.4511   65.284   5.4511 0.000000 0.000000 
1 1 1   18   17    1 o   76.166   4.2611  695.874   76.330  735.000  107.983  656.800  107.910   77.724   5.9283   73.310   6.2946 4.413567 8.646761 
1 1 1   18   17    2 o  152.646   8.2614  2893.15  296.677  3153.90  420.049  2633.60  419.081  155.901   11.491  140.992   12.725 14.90857 17.14531 
1 1 1   18   17    3 o   51.251   3.0252  313.254   36.449  295.200   51.481  331.400   51.612   49.454   4.4563   52.482   4.1998 -3.027843 6.123478 
1 1 1   18   17    4 o   16.066   1.6444   30.854   6.1505   40.200   8.7198   21.600   8.6765   18.310   2.0521   13.234   2.8600 5.076283 3.520004 
1 1 1   18   17    5 o   47.786   2.8901  272.292   32.458  262.400   45.884  282.200   45.922   46.647   4.2110   48.424   4.0533 -1.777191 5.844792 
1 1 1   18   17    6 o   52.205   3.1292  325.379   38.398  341.900   54.255  308.800   54.350   53.249   4.3529   50.524   4.6061 2.724705 6.337502 
1 1 1   18   17    7 o   81.867   4.5898  807.246   88.372  817.700  125.000  796.800  124.953   81.579   6.5440   80.480   6.6341 1.098640 9.318566 
1 1 1   18   17    8 o   39.393   2.5246  184.954   23.360  199.700   33.032  170.200   33.042   40.777   3.4632   37.559   3.7767 3.218475 5.124210 
1 1 1   18   17    9 o   54.057   3.1380  349.142   39.883  394.600   56.440  303.800   56.368   57.221   4.2065   49.996   4.8349 7.224590 6.408677 
1 1 1   18   17   10 o   70.655   3.9662  599.585   65.906  715.200   93.231  484.100   93.178   76.746   5.1747   62.599   6.3933 14.14710 8.225054 
1 1 1   18   17   11 o   40.735   2.5789  197.899   24.678  204.400   34.902  191.400   34.898   41.203   3.6241   39.833   3.7545 1.370647 5.218256 
1 1 1   18   17   12 o  103.442   5.8024  1308.23  141.160  1366.20  199.570  1250.20  199.691  103.979   8.1945   99.102   8.6191 4.877327 11.89275 
1 1 1   18   17   13 o   35.106   2.3432  146.955   19.313  151.700   27.299  142.200   27.325   35.504   3.2937   34.339   3.4152 1.164501 4.744666 
1 1 1   18   17   14 o   47.268   2.8746  267.047   31.932  269.400   45.190  264.700   45.128   47.183   4.0966   46.758   4.1297 0.4254494 5.816911 
1 1 1   18   17   15 o   9.4422   1.6416   10.861   3.5273   12.100   5.0708   9.7000   4.9097   9.9027   2.2230   8.8758   2.3175 1.026861 3.211320 
1 1 1   18   17   16 o   63.317   3.4771  481.350   51.788  589.900   73.324  373.300   73.155   69.746   4.4758   54.933   5.7236 14.81222 7.265844 
1 1 1   18   17   17 o   62.126   3.6625  464.594   53.492  480.500   75.429  448.500   75.871   62.611   5.1474   60.375   5.3780 2.235222 7.444402 
1 1 1   18   17   18 o   62.343   3.3821  466.969   49.603  582.300   70.266  352.400   70.033   69.275   4.3169   53.284   5.6523 15.99083 7.112272 
1 1 1   18   17   19 o   18.719   1.8397   41.960   8.0268   48.900   11.264   34.800   11.442   20.129   2.4182   16.821   2.9900 3.307158 3.845495 
1 1 1   18   17   20 o   55.046   3.2776  364.665   42.410  450.000   59.972  279.300   59.982   60.813   4.2021   47.330   5.4675 13.48295 6.895741 
1 1 1   18   17   21 o   40.265   2.5960  194.329   24.551  239.400   34.709  149.200   34.731   44.506   3.3267   34.772   4.3232 9.733200 5.454998 
1 1 1   18   17   22 o   4.4450   1.6040   1.9468   2.1561   3.1000   2.6732  -0.2000   3.6474   5.3044   1.7945   4.4930   1.9251 0.8114200 2.631757 
1 1 1   18   17   23 o   19.572   1.8565   45.950   8.4771   59.300   11.944   32.400   12.033   22.171   2.3156   16.110   3.2748 6.061323 4.010744 
1 1 1   18   17   24 o   90.795   5.3257  1040.38  113.683  1344.80  160.751  735.800  160.792  101.319   6.7577   71.107   9.8398 30.21190 11.93679 
1 1 1   18   17   25 o   17.525   1.6922   36.861   6.9155   29.500   9.6601   44.600   9.9046   15.437   2.7509   19.189   2.2273 -3.751576 3.539490 
1 1 1   18   17   26 o   19.387   1.7857   45.143   8.0830   46.100   11.476   44.200   11.386   19.423   2.5650   19.002   2.6062 0.4211025 3.656718 
1 1 1   18   17   27 o   46.697   2.6083  263.607   28.647  340.700   40.617  187.300   40.409   52.763   3.2762   38.415   4.5426 14.34818 5.600781 
1 1 1   18   17   28 o   31.806   2.1979  121.877   16.406  131.800   23.228  112.000   23.175   32.793   3.0340   30.100   3.3155 2.692762 4.494214 
1 1 1   18   17   29 o   19.913   1.8547   47.760   8.6204   52.200   12.110   43.200   12.274   20.656   2.5360   18.667   2.8768 1.988947 3.835048 
1 1 1   18   17   30 o   30.651   2.2206  113.447   15.963  119.900   22.494  106.900   22.658   31.198   3.0942   29.347   3.3285 1.851389 4.544547 
1 1 1   18   17   31 o   7.3143   1.7997   6.6444   3.0872   7.4000   4.1420   5.7000   4.6308   7.7410   2.1756   7.0667   2.3620 0.6743298 3.211286 
1 1 1   18   17   32 o   9.6111   1.7528   11.372   3.8314   13.600   5.3357   9.0000   5.5051   10.439   2.2321   8.5561   2.5404 1.883117 3.381695 
1 1 1   18   17   33 o   9.6072   2.3710   11.600   5.3462   11.600   5.3462   0.0000   0.0000   9.6072   2.3710  ?   ?  0.000000 2.371046 
1 1 1   18   17   34 o   27.553   2.2411   92.419   14.455  117.500   20.315   66.700   20.572   30.832   2.8217   22.630   3.9960 8.202059 4.891766 
1 1 1   18   17   35 o   38.748   2.4158  183.652   21.994  226.000   31.215  141.900   30.995   42.511   3.1317   33.009   4.0622 9.502213 5.129209 
1 1 1   18   17   36 o   45.789   2.8734  261.003   30.911  305.700   43.912  217.100   43.520   48.590   3.8589   40.091   4.6854 8.498814 6.069984 
1 1 1   18   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   17   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18    0 o   14.174   2.6995   26.200   8.0833   26.200   8.0833   26.200   8.0833   14.174   2.6995   14.174   2.6995 0.000000 0.000000 
1 1 1   18   18    1 o  140.084   7.5382  2426.72  248.438  2192.90  350.908  2661.70  351.783  129.213   11.625  143.821   10.429 -14.60789 15.61768 
1 1 1   18   18    2 o   26.310   2.0126   82.469   12.409   87.000   17.513   77.900   17.585   26.919   2.7958   25.426   2.9857 1.493620 4.090339 
1 1 1   18   18    3 o   81.076   4.5573  791.456   86.895  828.800  122.877  754.100  122.898   82.222   6.3787   78.251   6.7162 3.970711 9.262575 
1 1 1   18   18    4 o   50.340   3.0216  302.502   35.752  308.600   50.554  296.400   50.569   50.574   4.2732   49.533   4.3681 1.040634 6.110670 
1 1 1   18   18    5 o   93.484   5.2257  1058.67  114.895  1068.60  162.331  1048.70  162.640   92.712   7.4785   91.782   7.5719 0.9299011 10.64245 
1 1 1   18   18    6 o  107.732   5.9637  1416.25  151.121  1387.40  213.527  1445.20  213.909  104.734   8.7129  107.048   8.5332 -2.313759 12.19548 
1 1 1   18   18    7 o   20.157   1.7778   48.474   8.3749   45.300   11.796   51.700   11.892   19.351   2.6512   20.724   2.4793 -1.373077 3.629845 
1 1 1   18   18    8 o   38.381   2.4835  175.608   22.388  192.400   31.654  158.800   31.668   40.024   3.3808   36.259   3.7531 3.765793 5.051272 
1 1 1   18   18    9 o   96.570   5.4278  1134.30  123.273  1259.90  174.299  1008.60  174.370  100.562   7.3918   89.266   8.3700 11.29622 11.16670 
1 1 1   18   18   10 o   19.637   1.7743   46.036   8.1388   49.300   11.626   42.900   11.397   20.225   2.4867   18.820   2.6370 1.405191 3.624575 
1 1 1   18   18   11 o   68.370   3.9115  561.955   62.887  668.000   88.934  455.900   88.938   74.107   5.1134   60.679   6.2989 13.42883 8.113135 
1 1 1   18   18   12 o   50.035   2.9787  299.311   35.035  282.600   49.489  316.100   49.605   48.261   4.3907   51.134   4.1439 -2.873272 6.037341 
1 1 1   18   18   13 o   52.462   3.1183  329.438   38.456  355.700   54.397  303.200   54.373   54.201   4.2851   49.896   4.6691 4.304363 6.337387 
1 1 1   18   18   14 o   39.908   2.5484  190.150   23.890  214.700   33.785  165.600   33.785   42.237   3.4167   36.937   3.9341 5.300537 5.210627 
1 1 1   18   18   15 o   48.637   2.9400  283.097   33.607  281.600   47.479  284.600   47.577   48.170   4.2166   48.432   4.2017 -0.2620621 5.952640 
1 1 1   18   18   16 o   8.6833   1.6231   9.2192   3.2057   14.600   4.5685   4.0000   4.4994   10.952   1.8312   6.3919   2.3155 4.560032 2.952105 
1 1 1   18   18   17 o   70.962   3.9959  608.618   66.685  649.600   94.401  567.800   94.213   72.554   5.5521   67.582   5.9648 4.971962 8.148898 
1 1 1   18   18   18 o   65.010   3.9010  511.197   59.608  558.300   84.079  463.600   84.519   67.265   5.3373   60.940   5.9492 6.324871 7.992478 
1 1 1   18   18   19 o   24.658   2.0049   72.679   11.572   92.000   16.333   53.200   16.399   27.673   2.5273   20.780   3.4639 6.892324 4.287912 
1 1 1   18   18   20 o   7.3332   1.8761   6.6293   3.2619   13.700   4.4732  -1.4000   4.7668   10.590   1.8566   4.8475   2.1368 5.741989 2.830690 
1 1 1   18   18   21 o   55.233   3.4565  369.371   44.854  457.100   63.336  281.100   63.531   60.997   4.4274   47.060   5.8427 13.93701 7.330707 
1 1 1   18   18   22 o   50.155   3.1552  304.161   37.178  371.100   52.515  236.900   52.641   55.005   4.0721   43.329   5.2523 11.67572 6.646000 
1 1 1   18   18   23 o   18.833   1.8732   42.614   8.2195   61.300   11.574   23.600   11.675   22.559   2.2008   13.691   3.5733 8.867975 4.196605 
1 1 1   18   18   24 o   39.703   2.5871  190.033   24.122  225.200   34.098  154.800   34.130   42.930   3.3912   35.222   4.1854 7.707890 5.386864 
1 1 1   18   18   25 o   43.792   2.7084  231.781   27.870  291.600   39.436  172.100   39.391   48.802   3.4442   36.881   4.6248 11.92163 5.766423 
1 1 1   18   18   26 o   31.430   2.1292  118.720   15.709  143.700   22.275   94.000   22.159   34.395   2.7659   27.530   3.4867 6.865520 4.450562 
1 1 1   18   18   27 o   6.6924   1.7089   5.5408   2.7102   5.7000   3.9563   5.4000   3.7200   6.9283   2.1730   6.7405   2.1059 0.1877522 3.026014 
1 1 1   18   18   28 o   13.514   1.6590   22.077   5.1828   24.400   7.3661   19.800   7.2935   14.080   2.2946   12.600   2.5391 1.479987 3.422292 
1 1 1   18   18   29 o   26.368   2.1219   83.889   13.100   93.200   18.344   74.200   18.713   27.571   2.8593   24.402   3.3349 3.168674 4.392850 
1 1 1   18   18   30 o   5.5687   1.6863   3.7219   2.4082   2.8000   3.1112   5.1000   3.8038   5.3131   1.9254   6.6102   2.1373 -1.297073 2.876619 
1 1 1   18   18   31 o   5.0654   1.7722   2.7239   2.6139   5.6000   3.3290  -1.9000   4.2211   6.7681   1.9662   4.3824   1.9661 2.385731 2.780589 
1 1 1   18   18   32 f   60.221   3.8451  456.200   54.394  504.700   76.650  407.000   77.201   61.681   5.3144   54.421   6.1133 7.260925 8.100377 
1 1 1   18   18   33 o   17.340   1.8387   36.452   7.4138   47.400   10.413   25.200   10.557   19.672   2.2842   14.001   3.2550 5.671504 3.976475 
1 1 1   18   18   34 o   20.523   1.9327   51.131   9.2562   66.300   13.014   35.600   13.168   23.231   2.4072   16.574   3.4756 6.657024 4.227810 
1 1 1   18   18   35 o   30.494   2.1996  113.389   15.732  128.100   22.295   98.800   22.203   32.008   2.9842   27.816   3.4546 4.191492 4.565054 
1 1 1   18   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   18   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19    0 o   93.636   7.5995  1080.60  165.485  1080.60  165.485  1080.60  165.485   93.636   7.5995   93.636   7.5995 0.000000 0.000000 
1 1 1   18   19    1 o  104.501   5.6075  1327.97  137.867  1137.10  194.755  1519.70  195.194   94.675   8.8126  110.554   7.5217 -15.87926 11.58616 
1 1 1   18   19    2 o   64.175   3.5663  493.104   53.831  430.600   76.010  556.000   76.248   59.387   5.4822   67.789   4.7942 -8.402576 7.282758 
1 1 1   18   19    3 o   34.012   2.2124  137.742   17.672  117.200   24.927  158.500   25.058   31.160   3.4454   36.385   2.9416 -5.224960 4.530288 
1 1 1   18   19    4 o   71.692   3.9439  616.980   66.510  563.000   93.912  671.300   94.207   67.773   5.9278   74.266   5.4091 -6.492867 8.024764 
1 1 1   18   19    5 o   52.068   3.0126  323.740   36.882  287.500   52.079  360.200   52.238   48.687   4.5839   54.684   4.0747 -5.997063 6.133087 
1 1 1   18   19    6 f   3.6519   1.3347   1.2625   1.4998  -0.5000   1.9687   3.7000   2.3152   3.1542   1.3823   5.5555   1.6470 -2.401324 2.150150 
1 1 1   18   19    7 o   40.847   2.5688  198.975   24.651  194.800   34.759  203.200   34.966   40.199   3.7034   41.077   3.6426 -0.8778343 5.194613 
1 1 1   18   19    8 o   47.428   2.8084  268.503   31.312  244.300   44.195  292.900   44.371   44.921   4.2157   49.318   3.8403 -4.397495 5.702615 
1 1 1   18   19    9 f   69.383   3.9824  579.029   64.974  598.100   91.819  559.900   91.956   69.899   5.6102   67.524   5.8242 2.375046 8.086730 
1 1 1   18   19   10 o  115.803   6.5395  1656.63  178.093  1729.30  251.722  1583.80  252.000  115.783   9.2851  110.279   9.7786 5.504372 13.48455 
1 1 1   18   19   11 o   51.998   3.0406  323.388   37.171  381.600   52.596  265.300   52.540   56.251   3.9855   46.600   4.8455 9.650181 6.273981 
1 1 1   18   19   12 o   32.174   2.2098  123.437   16.687  133.900   23.614  113.000   23.585   33.378   3.0290   30.582   3.3192 2.796225 4.493598 
1 1 1   18   19   13 o   63.794   3.7063  489.527   55.591  557.500   78.603  421.500   78.634   67.616   4.9575   58.405   5.7773 9.211273 7.612774 
1 1 1   18   19   14 o   17.442   1.7130   36.385   6.9642   32.900   9.8273   39.900   9.8707   16.428   2.6214   18.176   2.3552 -1.747633 3.524034 
1 1 1   18   19   15 f   39.829   2.5609  189.567   23.958  218.700   33.871  160.400   33.891   42.609   3.3946   36.291   4.0224 6.317818 5.263386 
1 1 1   18   19   16 o   55.946   3.2745  375.958   43.070  450.400   60.928  301.600   60.894   60.904   4.2634   49.388   5.3046 11.51646 6.805527 
1 1 1   18   19   17 o   54.559   3.2134  357.675   41.217  398.300   58.307  317.100   58.271   57.182   4.3507   50.763   4.9231 6.419376 6.570071 
1 1 1   18   19   18 o   26.852   2.0862   86.186   13.124  110.800   18.528   61.400   18.593   30.373   2.6087   22.311   3.6556 8.061472 4.490974 
1 1 1   18   19   19 o   24.372   1.7872   70.870   10.214   97.700   14.535   44.700   14.355   28.575   2.1703   19.025   3.3160 9.550270 3.963096 
1 1 1   18   19   20 o   35.361   2.3133  149.685   19.210  192.100   27.188  107.400   27.146   39.931   2.9032   29.489   4.0017 10.44158 4.943916 
1 1 1   18   19   21 o   37.663   2.4821  170.272   21.951  226.600   31.037  113.900   31.049   43.301   3.0551   30.161   4.4971 13.13992 5.436648 
1 1 1   18   19   22 o   18.274   1.8357   40.116   7.8145   51.200   10.995   28.800   11.109   20.579   2.3020   15.173   3.2012 5.406189 3.942927 
1 1 1   18   19   23 o   31.978   2.1944  122.737   16.470  153.000   23.316   92.600   23.268   35.548   2.8004   27.320   3.7021 8.228336 4.641931 
1 1 1   18   19   24 o   40.459   2.6192  197.577   24.889  251.300   35.189  143.800   35.207   45.367   3.3076   33.735   4.5344 11.63200 5.612580 
1 1 1   18   19   25 o   15.223   1.6646   27.900   5.8863   35.500   8.3521   20.400   8.2970   17.105   2.1127   12.758   2.8284 4.347594 3.530319 
1 1 1   18   19   26 f   38.911   2.3585  182.492   21.568  242.800   30.568  122.700   30.437   44.673   2.9137   31.135   4.2510 13.53813 5.153697 
1 1 1   18   19   27 o   26.361   1.9751   83.546   12.205   98.300   17.292   68.900   17.230   28.428   2.6050   23.580   3.1751 4.848322 4.107005 
1 1 1   18   19   28 o   46.889   2.8487  267.669   31.391  322.700   44.427  212.800   44.361   50.974   3.7165   40.739   4.6975 10.23539 5.989917 
1 1 1   18   19   29 o   8.1036   1.6704   8.1134   3.0901   9.4000   4.5368   7.0000   4.2205   8.6821   2.2079   7.5650   2.2185 1.117152 3.129950 
1 1 1   18   19   30 o   27.880   2.2244   94.047   14.523  111.000   20.364   76.500   20.717   30.060   2.9050   24.606   3.6784 5.454096 4.687192 
1 1 1   18   19   31 o   65.736   4.0763  545.774   62.963  591.300   88.825  499.800   89.262   66.398   5.7210   60.168   6.3799 6.230789 8.569366 
1 1 1   18   19   32 o   2.6505   1.2128  -1.1799   1.7045  -1.1000   1.9055  -1.5000   3.8129   2.8723   1.3018   4.2174   1.8820 -1.345110 2.288389 
1 1 1   18   19   33 o   43.245   2.9252  231.163   29.696  275.500   41.873  186.300   42.121   46.488   3.8490   37.345   4.8942 9.142693 6.226386 
1 1 1   18   19   34 o   26.551   2.1086   85.783   13.111  118.900   18.519   52.500   18.565   31.087   2.5451   19.892   4.0891 11.19517 4.816424 
1 1 1   18   19   35 o   25.619   2.9853   82.700   17.721   0.0000   0.0000   82.700   17.721  ?   ?    25.619   2.9853 0.000000 2.985341 
1 1 1   18   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   19   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20    0 o   13.005   2.7499   22.500   7.4291   22.500   7.4291   22.500   7.4291   13.005   2.7499   13.005   2.7499 0.000000 0.000000 
1 1 1   18   20    1 o  105.428   5.8112  1356.72  144.112  1419.60  204.259  1294.40  203.354  106.154   8.2125  101.033   8.6057 5.120766 11.89554 
1 1 1   18   20    2 o  105.556   5.8438  1360.72  145.093  1425.50  205.326  1296.10  205.059  106.336   8.2415  101.024   8.6802 5.312325 11.96949 
1 1 1   18   20    3 o  127.773   7.1785  2025.47  215.709  2057.40  304.967  1993.50  305.151  125.552   10.380  123.354   10.578 2.198624 14.82023 
1 1 1   18   20    4 o   93.587   5.2585  1064.09  115.738  1093.40  163.572  1034.70  163.785   93.557   7.4662   90.835   7.7086 2.722176 10.73161 
1 1 1   18   20    5 o   70.380   3.9919  595.528   66.070  579.800   93.371  611.300   93.503   68.760   5.8049   70.683   5.6493 -1.922920 8.100080 
1 1 1   18   20    6 o   32.500   2.2373  125.903   17.065  129.700   24.125  122.100   24.143   32.840   3.1497   31.833   3.2577 1.006117 4.531373 
1 1 1   18   20    7 o   67.098   3.7527  540.631   59.221  496.800   83.638  584.700   83.865   63.648   5.6228   69.281   5.1634 -5.633247 7.633893 
1 1 1   18   20    8 o   88.416   4.9694  948.961  103.332  983.900  146.111  914.000  146.156   88.846   7.0216   85.423   7.3163 3.423256 10.14062 
1 1 1   18   20    9 o   11.615   1.6432   16.288   4.3811   15.400   6.1562   17.200   6.2361   11.175   2.4042   11.835   2.3143 -0.6600075 3.337078 
1 1 1   18   20   10 o   64.966   3.7601  507.474   57.436  517.400   81.130  497.500   81.324   65.017   5.3313   63.691   5.4600 1.325497 7.631172 
1 1 1   18   20   11 o   51.021   2.9342  311.288   35.202  356.600   49.929  266.500   49.640   54.361   3.9158   46.767   4.5527 7.594013 6.005035 
1 1 1   18   20   12 o   41.013   2.5833  200.885   24.890  197.800   35.116  204.000   35.285   40.449   3.7181   41.094   3.6750 -0.6451797 5.227797 
1 1 1   18   20   13 o   53.406   3.1531  341.870   39.587  373.400   56.011  310.400   55.958   55.472   4.3098   50.395   4.7587 5.077332 6.420285 
1 1 1   18   20   14 o   70.125   3.9826  593.944   65.676  623.200   92.968  564.800   92.790   71.080   5.5839   67.491   5.8811 3.588791 8.109651 
1 1 1   18   20   15 o   49.448   3.0154  293.233   35.041  308.800   49.504  277.600   49.608   50.390   4.1986   47.669   4.4589 2.720688 6.124521 
1 1 1   18   20   16 o   65.724   3.7114  521.434   57.364  597.900   81.186  445.200   81.063   69.809   4.9573   59.759   5.8184 10.05000 7.643875 
1 1 1   18   20   17 o   79.232   4.6419  767.588   86.469  896.500  122.196  638.300  122.374   84.568   6.1615   70.325   7.4842 14.24288 9.694211 
1 1 1   18   20   18 o   22.129   1.8854   58.577   9.7583   62.000   13.747   55.100   13.855   22.640   2.6197   21.282   2.8268 1.357862 3.854008 
1 1 1   18   20   19 o   21.801   1.8892   56.896   9.6292   60.800   13.539   52.900   13.697   22.408   2.6075   20.826   2.8608 1.581978 3.870799 
1 1 1   18   20   20 o   15.419   1.7263   28.585   6.1776   41.600   8.7247   15.500   8.7483   18.587   2.0203   11.195   3.1672 7.392270 3.756713 
1 1 1   18   20   21 o   36.683   2.5042  161.810   21.562  204.400   30.455  119.000   30.533   41.038   3.1672   30.857   4.3079 10.18090 5.346882 
1 1 1   18   20   22 o   60.120   3.5698  441.565   50.451  561.100   71.344  322.000   71.353   67.130   4.5271   49.628   6.2257 17.50155 7.697673 
1 1 1   18   20   23 o   26.351   1.9864   83.289   12.269  109.400   17.372   57.300   17.331   30.104   2.4653   21.421   3.5506 8.683235 4.322586 
1 1 1   18   20   24 o   24.776   2.0522   73.831   11.898   93.200   16.770   54.200   16.883   27.717   2.5924   20.789   3.5677 6.928074 4.410128 
1 1 1   18   20   25 o   47.393   2.5532  271.211   28.467  366.100   40.407  177.700   40.113   54.784   3.1365   37.351   4.6485 17.43281 5.607728 
1 1 1   18   20   26 o   30.120   1.9713  108.907   13.943  148.800   19.792   69.600   19.646   35.096   2.4027   23.535   3.6536 11.56118 4.372875 
1 1 1   18   20   27 o   32.217   2.1471  124.969   16.241  164.900   23.006   85.300   22.931   36.846   2.6621   26.000   3.8513 10.84584 4.681814 
1 1 1   18   20   28 o   53.443   3.1821  350.358   39.975  415.700   56.574  285.200   56.494   57.452   4.1992   46.760   5.2048 10.69168 6.687517 
1 1 1   18   20   29 o   16.034   1.6373   30.961   6.1120   38.900   8.7215   23.300   8.5679   17.889   2.1049   13.629   2.7569 4.260091 3.468563 
1 1 1   18   20   30 o   36.249   2.4370  159.347   20.739  159.100   29.141  159.600   29.521   35.730   3.4988   35.763   3.5423 -0.3332901E-01 4.978872 
1 1 1   18   20   31 o   28.606   2.2137   99.205   14.837  107.700   20.739   90.300   21.234   29.493   3.0206   26.799   3.4346 2.694092 4.573880 
1 1 1   18   20   32 o   35.327   2.4815  152.354   20.569  173.800   28.986  130.600   29.194   37.268   3.3288   31.897   3.9613 5.371803 5.174253 
1 1 1   18   20   33 o   8.1174   1.8762   8.2345   3.5242   9.5000   4.7605   6.7000   5.2421   8.6923   2.2880   7.5687   2.5125 1.123621 3.398201 
1 1 1   18   20   34 o   3.5831   1.5275  -0.0049   2.2758   2.9000   3.3132  -2.6000   3.1315   5.4212   1.9834   3.4730   1.6087 1.948169 2.553813 
1 1 1   18   20   35 o   6.5586   2.2323   4.9000   4.1368   0.0000   0.0000   4.9000   4.1368  ?   ?    6.5586   2.2323 0.000000 2.232278 
1 1 1   18   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   20   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21    0 o   49.116   4.3423  294.000   49.457  294.000   49.457  294.000   49.457   49.116   4.3423   49.116   4.3423 0.000000 0.000000 
1 1 1   18   21    1 o   23.318   1.9094   64.854   10.421   68.200   14.729   61.500   14.747   23.805   2.6660   22.562   2.8302 1.243690 3.888182 
1 1 1   18   21    2 o   50.676   3.0381  307.041   36.187  292.400   51.160  321.700   51.192   49.093   4.4618   51.577   4.2409 -2.483429 6.155724 
1 1 1   18   21    3 o   23.436   1.9133   65.513   10.496   59.300   14.859   71.700   14.828   22.132   2.9141   24.424   2.6115 -2.292156 3.912984 
1 1 1   18   21    4 o   21.420   1.8484   54.760   9.2580   46.600   13.101   62.900   13.085   19.573   2.9242   22.882   2.4602 -3.308931 3.821517 
1 1 1   18   21    5 o   68.738   3.8710  568.100   62.577  610.600   88.602  525.800   88.393   70.705   5.3462   65.397   5.7836 5.308571 7.876054 
1 1 1   18   21    6 o   23.713   1.9439   67.092   10.789   78.200   15.230   55.900   15.287   25.524   2.5614   21.436   3.1109 4.087996 4.029722 
1 1 1   18   21    7 f   54.323   3.0267  352.837   38.670  301.900   54.548  404.300   54.829   49.786   4.6954   57.889   4.0363 -8.102764 6.191764 
1 1 1   18   21    8 o   16.267   1.7476   31.704   6.6075   40.300   9.3155   23.000   9.3734   18.298   2.2001   13.630   2.9942 4.667603 3.715598 
1 1 1   18   21    9 o  116.807   6.5345  1691.99  179.514  1633.70  253.742  1750.40  254.001  111.605   9.7255  115.968   9.3551 -4.363358 13.49453 
1 1 1   18   21   10 o   63.767   3.6844  489.052   55.242  537.600   78.123  440.500   78.127   66.359   5.0228   59.790   5.5988 6.568451 7.521608 
1 1 1   18   21   11 o   46.023   2.7400  253.157   29.643  292.500   41.971  214.000   41.871   49.265   3.6335   41.919   4.2905 7.346497 5.622314 
1 1 1   18   21   12 o   37.744   2.4567  170.152   21.777  179.400   30.795  160.900   30.800   38.559   3.4175   36.451   3.6265 2.108650 4.983049 
1 1 1   18   21   13 o   18.772   1.7613   42.136   7.7158   40.100   10.874   44.200   10.950   18.169   2.6095   19.115   2.4846 -0.9468651 3.603165 
1 1 1   18   21   14 o   67.747   3.8915  554.743   61.993  605.600   87.678  503.900   87.666   70.095   5.3373   63.605   5.9041 6.489250 7.958955 
1 1 1   18   21   15 o   64.456   3.6896  501.594   55.924  558.200   79.128  445.100   79.050   67.396   5.0078   59.813   5.6643 7.582893 7.560595 
1 1 1   18   21   16 o   37.857   2.4570  171.493   21.845  177.300   30.912  165.700   30.876   38.249   3.4600   36.932   3.5856 1.317768 4.982772 
1 1 1   18   21   17 o   59.790   3.5683  432.678   50.150  482.700   70.868  382.500   70.979   62.539   4.8365   55.272   5.5118 7.267002 7.332927 
1 1 1   18   21   18 o   27.664   2.1087   91.620   13.672  111.300   19.301   71.800   19.369   30.379   2.7193   24.155   3.4975 6.223795 4.430230 
1 1 1   18   21   19 o   64.736   3.8752  511.575   58.966  642.200   83.351  380.700   83.431   71.838   4.9436   54.087   6.6739 17.75110 8.305436 
1 1 1   18   21   20 o   4.5502   1.5742   2.2125   2.0596   5.6000   2.8133  -1.7000   3.0234   6.7396   1.7516   3.6334   1.6439 3.106238 2.402245 
1 1 1   18   21   21 o   49.997   3.0320  302.836   35.628  378.400   50.390  227.300   50.380   55.479   3.8707   42.268   5.1544 13.21098 6.445923 
1 1 1   18   21   22 o   10.058   2.3851   12.600   5.5786   12.600   5.5786   0.0000   0.0000   10.058   2.3851  ?   ?  0.000000 2.385056 
1 1 1   18   21   23 o   21.632   1.8224   56.152   9.2222   71.300   13.063   41.100   13.021   24.288   2.3053   18.165   3.1499 6.123343 3.903358 
1 1 1   18   21   24 o   24.218   1.9228   70.444   10.905   94.700   15.440   46.300   15.404   27.993   2.3578   19.172   3.5328 8.820730 4.247369 
1 1 1   18   21   25 o   47.459   2.8754  273.884   32.072  326.800   45.385  221.100   45.329   51.335   3.7704   41.623   4.6938 9.711788 6.020584 
1 1 1   18   21   26 o   32.764   2.1853  129.287   16.810  162.200   23.814   96.600   23.732   36.501   2.7838   27.767   3.7125 8.734724 4.640274 
1 1 1   18   21   27 o   20.198   1.7986   49.082   8.4888   57.900   12.017   40.300   11.993   21.812   2.3714   18.000   2.9216 3.811697 3.762884 
1 1 1   18   21   28 o   62.571   3.3595  482.185   49.457  637.100   70.082  328.500   69.803   71.149   4.1899   49.305   6.1277 21.84408 7.423151 
1 1 1   18   21   29 o   18.394   1.7267   40.735   7.4120   55.000   10.506   26.600   10.458   21.305   2.1163   14.482   3.1481 6.823078 3.793286 
1 1 1   18   21   30 o   3.5496   1.3979   0.8471   1.7216  -2.3000   2.6653   3.1000   2.2551   3.1924   1.4806   5.1491   1.6436 -1.956742 2.212207 
1 1 1   18   21   31 o  ?   ?   -3.7777   0.5355  -4.2000   0.6317  -2.7000   1.0092  ?   ?    1.4494   0.7235 0.000000 0.7234513 
1 1 1   18   21   32 o   30.073   2.2471  110.123   15.842  125.400   22.316   94.600   22.494   31.731   3.0145   27.230   3.5855 4.500587 4.684299 
1 1 1   18   21   33 o   36.139   2.4795  160.172   21.031  154.800   29.666  165.600   29.819   34.773   3.6683   36.064   3.5473 -1.291164 5.102929 
1 1 1   18   21   34 o   30.485   3.3082  118.400   23.432   0.0000   0.0000  118.400   23.432  ?   ?    30.485   3.3082 0.000000 3.308228 
1 1 1   18   21   35 o   4.0125   1.7209  -0.1000   2.9203   0.0000   0.0000  -0.1000   2.9203  ?   ?    4.0125   1.7209 0.000000 1.720928 
1 1 1   18   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   21   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22    0 o   3.8756   2.1049   2.5000   2.7129   2.5000   2.7129   2.5000   2.7129   3.8756   2.1049   3.8756   2.1049 0.000000 0.000000 
1 1 1   18   22    1 o   98.664   5.3531  1186.95  124.250  1365.40  175.915  1009.30  175.518  104.558   7.1683   88.873   8.4658 15.68410 11.09297 
1 1 1   18   22    2 o   37.924   2.4661  171.603   21.964  176.900   31.053  166.300   31.071   38.315   3.4699   37.113   3.5902 1.201691 4.992996 
1 1 1   18   22    3 o   19.258   1.8188   44.328   8.1728   43.200   11.707   45.400   11.415   18.868   2.7050   19.378   2.5571 -0.5100727 3.722323 
1 1 1   18   22    4 o   52.382   3.1220  328.491   38.442  359.700   54.373  297.300   54.357   54.510   4.2580   49.383   4.7188 5.127007 6.355936 
1 1 1   18   22    5 o   29.719   2.1080  105.304   14.697   92.500   20.748  118.200   20.822   27.650   3.2391   31.377   2.8411 -3.727381 4.308491 
1 1 1   18   22    6 o   83.976   4.6247  854.716   91.354  779.600  128.994  930.300  129.396   78.889   6.9971   86.639   6.3695 -7.749489 9.462013 
1 1 1   18   22    7 o   26.399   1.8871   83.030   11.686  101.500   16.675   65.200   16.383   29.122   2.4475   23.182   3.0683 5.939627 3.924895 
1 1 1   18   22    8 o   78.036   4.4210  737.301   81.133  737.800  114.668  736.800  114.810   77.057   6.3587   76.996   6.3719 0.6041718E-01 9.001842 
1 1 1   18   22    9 o   20.421   1.8214   49.819   8.6910   55.800   12.272   43.800   12.310   21.526   2.4584   18.968   2.8354 2.557858 3.752745 
1 1 1   18   22   10 o   56.034   3.3020  376.948   43.498  389.300   61.520  364.600   61.511   56.497   4.6528   54.599   4.8205 1.897137 6.699647 
1 1 1   18   22   11 o   68.314   3.9366  563.766   63.234  507.900   89.439  619.600   89.414   63.879   5.9996   70.950   5.3769 -7.070488 8.056441 
1 1 1   18   22   12 o   42.989   2.6955  221.156   27.224  226.400   38.477  215.900   38.524   43.214   3.8097   42.162   3.9141 1.051830 5.462052 
1 1 1   18   22   13 o   17.167   1.7077   35.278   6.8308   32.000   9.6279   38.600   9.6929   16.188   2.6072   17.861   2.3556 -1.673307 3.513769 
1 1 1   18   22   14 o   35.336   2.3741  149.321   19.695  157.200   27.816  141.400   27.889   36.052   3.3042   34.123   3.5113 1.928619 4.821510 
1 1 1   18   22   15 o   6.9572   1.6581   5.9709   2.6854   3.9000   3.6216   8.5000   4.0023   6.0336   2.0874   8.2939   2.0543 -2.260337 2.928706 
1 1 1   18   22   16 o   24.016   1.9714   69.013   11.081   80.300   15.627   57.600   15.715   25.800   2.6005   21.683   3.1623 4.117353 4.094255 
1 1 1   18   22   17 o   18.241   1.7876   39.895   7.6007   48.200   10.720   31.500   10.778   19.973   2.3160   15.955   2.9700 4.018192 3.766260 
1 1 1   18   22   18 o   70.720   4.2139  614.110   70.051  725.400   98.996  502.500   99.139   75.822   5.5681   61.997   6.8884 13.82581 8.857436 
1 1 1   18   22   19 o   52.050   3.1464  328.206   38.491  361.500   54.429  294.900   54.439   54.056   4.2996   48.509   4.8162 5.546257 6.456185 
1 1 1   18   22   20 o   32.968   2.3562  130.721   18.222  156.100   25.709  105.100   25.832   35.825   3.0687   29.082   3.8567 6.742968 4.928638 
1 1 1   18   22   21 o   11.239   1.6883   15.351   4.3421   16.600   6.0235   14.000   6.2650   11.583   2.2834   10.592   2.5381 0.9909821 3.414020 
1 1 1   18   22   22 o   33.509   2.3040  135.161   18.120  179.000   25.622   91.300   25.628   38.403   2.8457   26.888   4.1716 11.51522 5.049783 
1 1 1   18   22   23 o   8.2127   1.8144   8.3528   3.4248   10.600   4.6157   5.6000   5.1086   9.2296   2.1567   7.1648   2.4792 2.064826 3.285980 
1 1 1   18   22   24 o   31.491   2.1544  119.336   15.925  155.100   22.557   83.800   22.485   35.742   2.6924   25.821   3.8015 9.921476 4.658344 
1 1 1   18   22   25 o   14.440   1.6996   25.182   5.6843   28.700   8.0027   21.600   8.0754   15.302   2.2847   13.144   2.6924 2.158273 3.531161 
1 1 1   18   22   26 o   30.558   2.0419  112.296   14.649  146.400   20.795   78.700   20.639   34.741   2.5528   25.052   3.5917 9.688881 4.406446 
1 1 1   18   22   27 o   24.345   1.9006   71.279   10.839   94.700   15.353   48.000   15.306   27.958   2.3472   19.503   3.4498 8.455345 4.172554 
1 1 1   18   22   28 o   21.066   1.7128   53.304   8.4467   71.100   12.030   36.000   11.862   24.251   2.1222   16.929   3.0809 7.321327 3.741058 
1 1 1   18   22   29 o   37.648   2.3021  171.523   20.368  220.000   28.902  123.700   28.707   42.359   2.9071   31.177   3.9909 11.18191 4.937432 
1 1 1   18   22   30 o   9.4746   1.6896   11.047   3.6414   11.300   5.1845   10.800   5.1157   9.4832   2.3316   9.2730   2.3371 0.2102327 3.301233 
1 1 1   18   22   31 o   43.413   2.5311  230.320   25.835  289.300   36.671  172.200   36.403   48.163   3.2433   36.351   4.3258 11.81198 5.406628 
1 1 1   18   22   32 o   35.563   2.4452  154.820   20.409  141.400   28.778  168.400   28.948   33.211   3.7343   36.511   3.3965 -3.300816 5.047953 
1 1 1   18   22   33 o   25.300   3.0466   80.800   17.835   0.0000   0.0000   80.800   17.835  ?   ?    25.300   3.0466 0.000000 3.046596 
1 1 1   18   22   34 o   27.011   3.1492   92.800   19.709   0.0000   0.0000   92.800   19.709  ?   ?    27.011   3.1492 0.000000 3.149237 
1 1 1   18   22   35 o   5.7905   2.2002   3.0000   4.1538   0.0000   0.0000   3.0000   4.1538  ?   ?    5.7905   2.2002 0.000000 2.200235 
1 1 1   18   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   22   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23    0 o  ?   ?   -4.5000   0.7610  -4.5000   0.7610  -4.5000   0.7610  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   18   23    1 o   46.685   2.7700  260.419   30.400  295.300   43.073  225.800   42.911   49.499   3.7121   43.096   4.2729 6.402603 5.660210 
1 1 1   18   23    2 o   37.740   2.5180  170.100   22.311  159.400   31.703  180.600   31.404   36.273   3.7558   38.700   3.4734 -2.427410 5.115711 
1 1 1   18   23    3 o   67.646   3.8230  550.844   60.816  591.900   86.118  510.000   85.897   69.535   5.2844   64.323   5.7147 5.211815 7.783515 
1 1 1   18   23    4 o   65.916   3.7660  522.906   58.375  462.500   82.525  583.400   82.585   61.191   5.7798   69.105   5.0969 -7.914017 7.706102 
1 1 1   18   23    5 o   78.485   4.4555  746.254   82.234  742.200  116.358  750.300  116.235   77.219   6.4400   77.669   6.3944 -0.4502563 9.075402 
1 1 1   18   23    6 o   30.782   2.1707  113.049   15.677  113.400   22.204  112.700   22.138   30.664   3.1095   30.568   3.1103 0.9586716E-01 4.398077 
1 1 1   18   23    7 o   43.021   2.6897  221.287   27.187  211.200   38.423  231.400   38.472   41.723   3.9467   43.741   3.7614 -2.017448 5.452024 
1 1 1   18   23    8 o   19.435   1.6458   45.067   7.4822   58.300   10.721   32.500   10.447   22.064   2.0823   16.283   2.8192 5.781256 3.504814 
1 1 1   18   23    9 o   43.825   2.7556  229.882   28.371  252.500   40.094  207.200   40.152   45.684   3.7498   41.228   4.1821 4.455536 5.617042 
1 1 1   18   23   10 o   11.260   1.6461   15.337   4.2475   17.200   6.0278   13.500   5.9861   11.838   2.2383   10.443   2.4667 1.395267 3.330854 
1 1 1   18   23   11 f   21.997   1.8615   57.810   9.5784   59.200   13.500   56.400   13.592   22.134   2.6348   21.579   2.7284 0.5550175 3.792938 
1 1 1   18   23   12 o   38.716   2.5163  179.366   22.879  185.400   32.313  173.300   32.400   39.115   3.5366   37.767   3.6798 1.348419 5.103776 
1 1 1   18   23   13 f   69.964   4.0393  594.765   66.449  607.200   93.917  582.300   94.029   69.695   5.7581   68.149   5.9013 1.546310 8.245085 
1 1 1   18   23   14 o   39.006   2.5192  182.306   23.079  188.700   32.625  175.900   32.654   39.410   3.5436   37.996   3.6858 1.414555 5.112962 
1 1 1   18   23   15 o   49.462   2.9432  294.415   34.221  277.700   48.204  311.400   48.590   47.506   4.3451   50.428   4.1164 -2.921761 5.985373 
1 1 1   18   23   16 f   53.844   3.2335  350.564   40.922  356.900   57.808  344.200   57.936   53.692   4.6040   52.667   4.7081 1.024952 6.585086 
1 1 1   18   23   17 o   7.8484   1.7628   7.6091   3.1871   7.7000   4.3160   7.5000   4.7263   7.9233   2.2187   7.8800   2.3571 0.4330254E-01 3.237048 
1 1 1   18   23   18 o   53.824   3.3231  352.152   42.029  431.000   59.381  273.000   59.495   59.018   4.2902   46.171   5.5694 12.84692 7.030206 
1 1 1   18   23   19 o   36.712   2.4400  162.158   21.032  198.500   29.740  125.800   29.747   40.397   3.1424   31.774   4.0573 8.623102 5.131917 
1 1 1   18   23   20 o   44.269   2.7961  237.029   29.079  292.300   41.113  181.700   41.135   48.815   3.5920   37.907   4.6960 10.90797 5.912274 
1 1 1   18   23   21 o   29.196   2.1675  102.517   14.837  119.400   20.941   85.500   21.024   31.318   2.8634   26.261   3.4757 5.056849 4.503234 
1 1 1   18   23   22 o   26.657   2.0705   85.463   12.931  108.400   18.262   62.400   18.312   29.889   2.6137   22.312   3.5979 7.577150 4.447041 
1 1 1   18   23   23 o   44.270   2.7764  237.832   28.877  258.400   40.856  217.300   40.821   45.609   3.8290   41.583   4.2155 4.026173 5.694882 
1 1 1   18   23   24 o   42.682   2.4151  219.803   24.241  288.500   34.421  152.200   34.146   48.638   3.0118   34.688   4.2581 13.94981 5.215566 
1 1 1   18   23   25 o   37.327   2.2969  168.035   20.147  214.900   28.574  121.700   28.412   41.978   2.9003   31.082   3.9611 10.89628 4.909379 
1 1 1   18   23   26 o   37.264   2.1824  167.205   19.120  217.000   27.233  118.800   26.850   42.238   2.7453   30.772   3.7741 11.46596 4.666963 
1 1 1   18   23   27 o   22.031   1.8148   58.374   9.3574   68.000   13.322   49.000   13.146   23.632   2.4215   19.886   2.8837 3.746115 3.765559 
1 1 1   18   23   28 o   36.412   2.2229  160.158   19.022  217.200   26.970  103.700   26.832   42.197   2.7213   28.467   4.1107 13.72962 4.929827 
1 1 1   18   23   29 o   19.071   1.7707   43.893   7.8829   48.300   11.221   39.600   11.076   19.827   2.4488   17.843   2.7144 1.983822 3.655768 
1 1 1   18   23   30 o   33.695   2.2552  137.918   17.840  172.800   25.260  103.200   25.200   37.414   2.8813   28.354   3.8645 9.059500 4.820400 
1 1 1   18   23   31 o   46.511   2.3721  263.670   25.966  347.600   37.710  188.000   35.806   52.909   3.0310   38.128   4.0384 14.78055 5.049344 
1 1 1   18   23   32 o   48.052   4.6588  309.300   52.199   0.0000   0.0000  309.300   52.199  ?   ?    48.052   4.6588 0.000000 4.658811 
1 1 1   18   23   33 o   7.8563   2.5642   7.4000   5.4686   0.0000   0.0000   7.4000   5.4686  ?   ?    7.8563   2.5642 0.000000 2.564201 
1 1 1   18   23   34 o   5.3607   2.0960   2.2000   3.8468   0.0000   0.0000   2.2000   3.8468  ?   ?    5.3607   2.0960 0.000000 2.096021 
1 1 1   18   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   23   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24    0 o   56.794   4.8689  394.500   64.193  394.500   64.193  394.500   64.193   56.794   4.8689   56.794   4.8689 0.000000 0.000000 
1 1 1   18   24    1 o   32.449   2.1853  125.600   16.647  105.000   23.486  146.400   23.600   29.416   3.4465   34.919   2.8880 -5.503096 4.496489 
1 1 1   18   24    2 o   40.883   2.5829  199.738   24.807  211.200   35.101  188.300   35.064   41.817   3.5895   39.409   3.8158 2.407703 5.238748 
1 1 1   18   24    3 o   35.543   2.3621  150.838   19.712  140.600   27.860  161.100   27.893   34.075   3.5128   36.557   3.2656 -2.481667 4.796237 
1 1 1   18   24    4 o   21.712   1.8520   56.300   9.4044   59.600   13.300   53.000   13.300   22.228   2.5819   20.911   2.7610 1.317722 3.780149 
1 1 1   18   24    5 o   39.664   2.5682  188.085   23.926  173.500   33.876  202.600   33.795   37.792   3.8498   40.954   3.5291 -3.161850 5.222581 
1 1 1   18   24    6 o   50.643   3.0485  307.551   36.286  316.200   51.314  298.900   51.319   50.970   4.3037   49.500   4.4376 1.470093 6.181715 
1 1 1   18   24    7 o   44.662   2.7625  238.788   28.991  226.800   40.979  250.800   41.018   43.175   4.0674   45.486   3.8551 -2.310982 5.604074 
1 1 1   18   24    8 o   61.552   3.5867  456.643   51.906  459.000   73.520  454.300   73.294   61.062   5.1468   60.741   5.1589 0.3209877 7.287225 
1 1 1   18   24    9 o   33.699   2.2719  135.665   17.974  121.100   25.388  150.300   25.449   31.578   3.4614   35.311   3.0829 -3.733032 4.635302 
1 1 1   18   24   10 o   37.965   2.3982  172.316   21.389  154.300   30.179  190.500   30.319   35.623   3.6388   39.724   3.2611 -4.100906 4.886283 
1 1 1   18   24   11 o   19.969   1.7725   47.687   8.2713   42.900   11.622   52.600   11.774   18.767   2.7003   20.871   2.4349 -2.103477 3.636000 
1 1 1   18   24   12 o   85.171   4.7207  891.146   94.571  968.600  134.007  814.300  133.481   87.270   6.5506   79.401   7.1974 7.868713 9.732074 
1 1 1   18   24   13 o   49.966   2.9928  300.543   35.149  291.200   49.560  310.000   49.859   48.662   4.3592   50.272   4.2396 -1.609943 6.080855 
1 1 1   18   24   14 o   88.747   5.2223  981.745  108.958  1193.80  154.019  769.300  154.160   96.134   6.8292   74.916   8.8877 21.21798 11.20841 
1 1 1   18   24   15 o   46.060   2.7071  255.105   29.314  227.000   41.207  283.900   41.711   42.929   4.1155   48.235   3.6901 -5.305923 5.527567 
1 1 1   18   24   16 o   54.839   3.2040  364.382   41.309  344.500   58.178  384.600   58.666   52.528   4.7414   55.667   4.5016 -3.138512 6.537995 
1 1 1   18   24   17 o   62.611   3.7455  479.892   55.122  509.600   77.835  450.000   78.075   63.472   5.2400   59.312   5.6424 4.159916 7.700312 
1 1 1   18   24   18 o   27.444   2.0987   90.416   13.497   94.500   18.938   86.200   19.242   27.851   2.9232   26.525   3.1326 1.325851 4.284623 
1 1 1   18   24   19 o   20.724   1.8939   51.606   9.1654   59.000   12.871   44.000   13.054   22.032   2.5193   18.854   3.0352 3.178211 3.944544 
1 1 1   18   24   20 o   32.812   2.3638  129.781   18.192  162.900   25.676   96.400   25.778   36.562   3.0004   27.675   4.0657 8.887348 5.052966 
1 1 1   18   24   21 o   36.819   2.4854  163.713   21.482  198.100   30.353  129.200   30.408   40.224   3.2226   32.058   4.1116 8.165852 5.224028 
1 1 1   18   24   22 o   46.748   2.9373  265.899   32.260  318.700   45.601  213.000   45.643   50.680   3.8389   40.797   4.8318 9.883308 6.171200 
1 1 1   18   24   23 o   46.195   2.8551  259.451   30.992  319.600   43.847  199.400   43.811   50.821   3.6786   39.437   4.8038 11.38359 6.050478 
1 1 1   18   24   24 o   66.880   3.8045  555.239   59.836  670.600   84.717  440.400   84.525   72.273   4.9946   57.095   6.3784 15.17780 8.101222 
1 1 1   18   24   25 o   22.914   1.8210   63.081   9.7718   81.600   13.864   44.800   13.775   25.961   2.2848   18.915   3.1981 7.046694 3.930404 
1 1 1   18   24   26 o   39.519   2.7761  190.356   25.742  224.200   36.216  155.800   36.596   42.437   3.6496   34.818   4.5607 7.618412 5.841163 
1 1 1   18   24   27 o   45.553   2.6233  252.352   28.099  338.900   39.819  166.500   39.658   52.429   3.2320   35.732   4.8235 16.69746 5.806227 
1 1 1   18   24   28 o   16.074   1.6926   31.213   6.3280   37.500   8.9755   25.000   8.9231   17.504   2.2215   14.090   2.7806 3.413849 3.559010 
1 1 1   18   24   29 o   15.592   1.7185   29.444   6.2225   31.600   8.8119   27.300   8.7880   15.978   2.4106   14.768   2.6157 1.209085 3.557079 
1 1 1   18   24   30 o   4.1463   1.6024   1.3380   2.2283  -1.7000   4.2364   2.5000   2.6200   4.4272   1.9791   4.9415   1.7699 -0.5142784 2.655078 
1 1 1   18   24   31 o   47.127   4.5561  295.000   50.070   0.0000   0.0000  295.000   50.070  ?   ?    47.127   4.5561 0.000000 4.556138 
1 1 1   18   24   32 o   14.855   2.7164   28.000   9.1776   0.0000   0.0000   28.000   9.1776  ?   ?    14.855   2.7164 0.000000 2.716434 
1 1 1   18   24   33 o   29.200   3.2338  108.800   21.923   0.0000   0.0000  108.800   21.923  ?   ?    29.200   3.2338 0.000000 3.233753 
1 1 1   18   24   34 o   17.679   2.7414   39.600   11.074   0.0000   0.0000   39.600   11.074  ?   ?    17.679   2.7414 0.000000 2.741421 
1 1 1   18   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   24   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25    0 o   79.094   6.5453  774.100  120.320  774.100  120.320  774.100  120.320   79.094   6.5453   79.094   6.5453 0.000000 0.000000 
1 1 1   18   25    1 o   12.348   1.6853   18.403   4.7858   20.100   6.8670   16.800   6.6733   12.802   2.3585   11.661   2.4987 1.140685 3.435979 
1 1 1   18   25    2 o   92.537   5.2307  1051.04  113.830  1034.40  160.919  1067.70  161.043   89.889   7.6541   91.450   7.5243 -1.561058 10.73317 
1 1 1   18   25    3 o   13.282   1.7391   21.268   5.3234   17.600   7.6003   24.800   7.4586   11.914   2.7564   14.267   2.2915 -2.353550 3.584453 
1 1 1   18   25    4 o   63.861   3.5702  491.404   53.623  559.600   76.000  423.800   75.669   67.631   4.7899   58.456   5.5483 9.174603 7.329830 
1 1 1   18   25    5 o   21.333   1.8427   54.389   9.1916   46.700   12.990   62.100   13.008   19.568   2.8988   22.707   2.4657 -3.138315 3.805654 
1 1 1   18   25    6 o   61.357   3.5521  454.103   51.246  431.900   72.396  476.400   72.549   59.104   5.2416   62.228   4.9789 -3.123684 7.229403 
1 1 1   18   25    7 o   14.163   1.6828   24.118   5.5180   21.800   7.7503   26.500   7.8580   13.304   2.5600   14.745   2.3347 -1.440981 3.464751 
1 1 1   18   25    8 o   61.027   3.5746  450.058   51.288  433.300   72.549  466.800   72.516   59.099   5.2535   61.472   5.0400 -2.373024 7.280167 
1 1 1   18   25    9 o   24.378   1.9441   71.043   11.098   77.000   15.704   65.100   15.687   25.253   2.6742   23.141   2.9368 2.112238 3.971918 
1 1 1   18   25   10 f   78.695   4.5120  759.102   83.496  761.600  118.046  756.600  118.117   77.305   6.5277   77.025   6.5565 0.2802963 9.251981 
1 1 1   18   25   11 o   50.186   2.8881  302.832   34.081  354.100   48.325  252.100   48.072   53.928   3.8196   45.153   4.5716 8.775120 5.957251 
1 1 1   18   25   12 o   27.347   2.0171   89.465   12.934   82.200   18.247   96.800   18.336   25.990   3.0301   28.293   2.7804 -2.302874 4.112397 
1 1 1   18   25   13 o   9.2439   1.6850   10.460   3.5425   13.400   5.0014   7.5000   5.0185   10.423   2.1046   7.9254   2.4411 2.497638 3.223052 
1 1 1   18   25   14 o   16.580   1.7636   33.041   6.7990   33.800   9.3767   32.200   9.8729   16.637   2.4610   16.183   2.6771 0.4539337 3.636421 
1 1 1   18   25   15 o   36.748   2.4732  162.416   21.336  189.100   30.137  135.600   30.211   39.407   3.2681   33.086   3.9446 6.320564 5.122548 
1 1 1   18   25   16 o   65.850   3.9792  533.380   61.584  576.600   86.912  489.800   87.274   67.256   5.5212   61.472   6.0926 5.784252 8.222139 
1 1 1   18   25   17 o   6.7601   1.7300   5.6440   2.7732   3.8000   3.7385   7.9000   4.1352   6.0171   2.1185   7.9964   2.1454 -1.979277 3.015132 
1 1 1   18   25   18 o   61.880   3.7857  471.303   55.051  536.500   77.734  405.700   77.975   64.978   5.1074   55.698   6.0247 9.280346 7.898222 
1 1 1   18   25   19 o   32.040   2.2988  123.645   17.277  144.200   24.377  102.900   24.489   34.373   3.0345   28.758   3.6915 5.615141 4.778579 
1 1 1   18   25   20 o   58.831   3.5813  425.854   49.515  446.700   69.851  404.800   70.199   59.104   5.0535   55.968   5.3779 3.136024 7.379700 
1 1 1   18   25   21 o   48.602   3.0571  287.999   34.907  305.500   49.229  270.300   49.505   49.341   4.2672   46.173   4.6018 3.168423 6.275755 
1 1 1   18   25   22 o   42.063   2.7831  214.913   27.488  250.000   38.784  179.500   38.963   44.920   3.6889   37.596   4.4769 7.324169 5.800925 
1 1 1   18   25   23 o   46.899   2.9858  268.355   32.894  313.400   46.465  223.100   46.573   50.100   3.9598   41.678   4.8212 8.422428 6.238916 
1 1 1   18   25   24 o   34.745   2.3731  145.924   19.353  163.300   27.351  128.500   27.388   36.423   3.2130   32.070   3.6835 4.352303 4.887888 
1 1 1   18   25   25 o   20.614   1.8225   51.146   8.7802   54.500   12.425   47.800   12.409   21.101   2.5450   19.685   2.7441 1.416042 3.742639 
1 1 1   18   25   26 o   65.889   3.8777  544.031   60.066  609.700   85.023  478.600   84.868   68.058   5.3332   59.278   6.1527 8.779942 8.142387 
1 1 1   18   25   27 o   5.0981   1.7951   2.7385   2.6843   5.2000   3.2544  -2.5000   4.7476   6.5434   1.9556   4.5599   2.0619 1.983564 2.841784 
1 1 1   18   25   28 o   36.377   2.2072  160.348   18.870  211.800   26.805  109.800   26.569   41.544   2.7480   29.241   3.9489 12.30288 4.810896 
1 1 1   18   25   29 o   5.4876   1.9328   3.2000   3.1121   0.0000   0.0000   3.2000   3.1121  ?   ?    5.4876   1.9328 0.000000 1.932833 
1 1 1   18   25   30 o   21.687   2.7226   58.600   13.635   0.0000   0.0000   58.600   13.635  ?   ?    21.687   2.7226 0.000000 2.722584 
1 1 1   18   25   31 o   41.057   4.0878  221.000   39.104   0.0000   0.0000  221.000   39.104  ?   ?    41.057   4.0878 0.000000 4.087752 
1 1 1   18   25   32 o   18.884   2.8086   45.100   12.143   0.0000   0.0000   45.100   12.143  ?   ?    18.884   2.8086 0.000000 2.808579 
1 1 1   18   25   33 o   19.373   2.8025   47.500   12.448   0.0000   0.0000   47.500   12.448  ?   ?    19.373   2.8025 0.000000 2.802542 
1 1 1   18   25   34 o   10.306   2.7495   13.700   6.8152   0.0000   0.0000   13.700   6.8152  ?   ?    10.306   2.7495 0.000000 2.749509 
1 1 1   18   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   25   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26    0 o   35.540   3.4760  154.700   28.531  154.700   28.531  154.700   28.531   35.540   3.4760   35.540   3.4760 0.000000 0.000000 
1 1 1   18   26    1 o   49.511   2.9767  294.406   34.640  268.700   48.946  320.200   49.030   46.788   4.4851   51.269   4.0837 -4.481041 6.065690 
1 1 1   18   26    2 o   34.603   2.3259  143.190   18.894  122.900   26.714  163.500   26.727   31.745   3.6289   36.812   3.1036 -5.066885 4.775082 
1 1 1   18   26    3 o   53.086   3.2566  339.517   40.626  312.800   57.636  365.900   57.274   50.307   4.9146   54.643   4.4781 -4.336025 6.648783 
1 1 1   18   26    4 o   43.509   2.6904  226.938   27.506  237.700   39.012  216.300   38.788   44.217   3.7724   42.108   3.9470 2.109394 5.459845 
1 1 1   18   26    5 o   35.610   2.3759  151.756   19.864  144.300   28.104  159.200   28.080   34.448   3.5037   36.252   3.3170 -1.803654 4.824782 
1 1 1   18   26    6 o   21.563   1.8252   55.594   9.2062   50.000   12.956   61.300   13.084   20.266   2.7806   22.533   2.5012 -2.267433 3.740023 
1 1 1   18   26    7 o   56.413   3.2975  384.075   43.736  339.300   61.800  429.000   61.904   52.238   5.0740   59.110   4.4680 -6.871872 6.760807 
1 1 1   18   26    8 o   85.272   4.8738  897.932   97.729  861.400  138.176  934.500  138.244   81.381   7.2667   85.124   6.9379 -3.742340 10.04690 
1 1 1   18   26    9 o   26.000   1.9939   80.875   12.148   76.700   17.130   85.100   17.232   25.120   2.9436   26.512   2.7946 -1.391916 4.058878 
1 1 1   18   26   10 o   55.280   3.2909  369.688   42.763  347.600   60.460  391.800   60.492   52.832   4.9021   56.288   4.5911 -3.456062 6.716326 
1 1 1   18   26   11 o   60.217   3.5522  440.754   50.286  438.600   71.189  442.900   71.043   59.154   5.1477   59.472   5.1084 -0.3170624 7.252197 
1 1 1   18   26   12 o   54.300   3.2438  357.387   41.402  365.800   58.597  349.000   58.507   54.228   4.6200   52.894   4.7343 1.334042 6.614982 
1 1 1   18   26   13 o   67.493   4.0575  560.076   64.366  627.200   90.909  492.600   91.147   70.277   5.5226   61.538   6.3644 8.738400 8.426447 
1 1 1   18   26   14 f   9.6799   1.6638   11.446   3.6661   9.3000   4.9736   14.000   5.4250   8.6768   2.3634   10.632   2.2320 -1.954675 3.250808 
1 1 1   18   26   15 o   10.335   1.7978   13.074   4.2284   13.500   5.8249   12.600   6.1478   10.413   2.4157   10.057   2.5770 0.3556900 3.532211 
1 1 1   18   26   16 o   8.0153   1.6947   7.9288   3.1072   5.0000   4.3430   11.000   4.4473   6.7202   2.2872   9.4205   2.0569 -2.700231 3.076080 
1 1 1   18   26   17 o   41.864   2.7236  212.044   26.777  243.800   37.813  180.100   37.925   44.497   3.6303   37.876   4.3174 6.621143 5.640845 
1 1 1   18   26   18 o   59.046   3.6425  428.944   50.539  473.100   71.317  384.400   71.630   60.964   4.9979   54.368   5.6625 6.596001 7.552723 
1 1 1   18   26   19 f   38.894   2.6136  183.042   23.865  207.100   33.651  158.700   33.849   40.995   3.5100   35.573   4.1050 5.422348 5.401046 
1 1 1   18   26   20 o   33.189   2.3592  132.923   18.369  151.400   25.892  114.200   26.064   35.145   3.1535   30.260   3.7264 4.884859 4.881662 
1 1 1   18   26   21 o   17.831   1.8622   38.352   7.7249   46.300   10.792   30.000   11.063   19.487   2.3957   15.439   3.1414 4.047982 3.950712 
1 1 1   18   26   22 o   29.412   2.1758  104.261   15.004  113.000   21.146   95.400   21.293   30.362   2.9882   27.755   3.3144 2.606903 4.462564 
1 1 1   18   26   23 o   17.787   1.7218   38.075   7.1413   44.600   10.159   31.700   10.041   19.134   2.2941   15.966   2.7633 3.168008 3.591524 
1 1 1   18   26   24 o   26.004   1.9857   81.411   12.101   93.800   17.141   69.100   17.087   27.725   2.6505   23.596   3.1450 4.129332 4.112918 
1 1 1   18   26   25 o   33.183   2.2389  133.106   17.441  161.400   24.706  105.000   24.624   36.275   2.9087   28.867   3.6973 7.408478 4.704318 
1 1 1   18   26   26 o   25.767   2.0014   80.191   12.082   89.500   17.094   70.900   17.078   26.984   2.7198   23.841   3.1075 3.142721 4.129630 
1 1 1   18   26   27 o   15.694   1.6231   29.737   5.9279   44.100   8.4625   15.900   8.3062   19.076   1.9041   11.179   3.0581 7.897100 3.602449 
1 1 1   18   26   28 o   22.179   2.7506   61.100   14.096   0.0000   0.0000   61.100   14.096  ?   ?    22.179   2.7506 0.000000 2.750566 
1 1 1   18   26   29 o   29.789   3.1733  111.600   21.979   0.0000   0.0000  111.600   21.979  ?   ?    29.789   3.1733 0.000000 3.173317 
1 1 1   18   26   30 o   39.346   3.9288  201.300   36.015   0.0000   0.0000  201.300   36.015  ?   ?    39.346   3.9288 0.000000 3.928850 
1 1 1   18   26   31 o   35.846   3.6883  166.400   30.774   0.0000   0.0000  166.400   30.774  ?   ?    35.846   3.6883 0.000000 3.688267 
1 1 1   18   26   32 o   18.958   2.9042   45.700   12.587   0.0000   0.0000   45.700   12.587  ?   ?    18.958   2.9042 0.000000 2.904245 
1 1 1   18   26   33 o   15.955   2.7302   32.400   9.9167   0.0000   0.0000   32.400   9.9167  ?   ?    15.955   2.7302 0.000000 2.730217 
1 1 1   18   26   34 o   6.4270   2.2437   4.6000   4.1886   0.0000   0.0000   4.6000   4.1886  ?   ?    6.4270   2.2437 0.000000 2.243684 
1 1 1   18   26   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   26   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27    0 o   67.421   5.6920  563.000   89.134  563.000   89.134  563.000   89.134   67.421   5.6920   67.421   5.6920 0.000000 0.000000 
1 1 1   18   27    1 o   6.9868   1.7950   6.0161   2.9771   11.400   4.2237   0.7000   4.1970   9.6264   1.9254   5.0922   2.1165 4.534184 2.861227 
1 1 1   18   27    2 o   53.595   3.1482  346.301   39.668  386.100   56.169  306.700   56.028   56.127   4.2700   49.731   4.8321 6.396404 6.448458 
1 1 1   18   27    3 o   36.946   2.4628  163.642   21.363  148.600   30.254  178.600   30.169   34.854   3.7341   38.362   3.3644 -3.508648 5.026219 
1 1 1   18   27    4 o   22.142   1.8102   58.619   9.3821   44.500   13.208   73.000   13.330   19.027   3.0421   24.638   2.3185 -5.610397 3.824880 
1 1 1   18   27    5 o   68.344   3.9727  569.613   63.837  538.400   90.298  600.800   90.261   65.186   5.9311   69.152   5.5749 -3.966194 8.139845 
1 1 1   18   27    6 o   47.820   2.9373  275.463   33.007  292.300   46.662  258.600   46.697   48.823   4.0849   45.779   4.3730 3.044228 5.984139 
1 1 1   18   27    7 o   26.919   1.9545   86.650   12.339   68.900   17.353  104.800   17.548   23.722   3.1777   29.498   2.5441 -5.776344 4.070705 
1 1 1   18   27    8 o   36.216   2.2573  157.086   19.208  193.400   27.284  121.400   27.047   40.023   2.9067   31.418   3.7177 8.604515 4.719171 
1 1 1   18   27    9 o   57.351   3.4026  399.392   45.874  424.600   64.886  374.200   64.865   58.392   4.7469   54.584   5.0912 3.807400 6.960899 
1 1 1   18   27   10 o   49.348   3.0072  294.397   34.876  288.400   49.311  300.400   49.332   48.220   4.3784   49.270   4.2828 -1.049927 6.124750 
1 1 1   18   27   11 o   21.633   1.8797   56.122   9.5070   59.300   13.400   52.900   13.490   22.087   2.6203   20.796   2.8198 1.291254 3.849319 
1 1 1   18   27   12 o   67.994   4.0084  568.647   64.074  581.800   90.454  555.400   90.777   67.394   5.7385   65.679   5.9166 1.714851 8.242304 
1 1 1   18   27   13 o   30.733   2.2271  113.469   16.053  131.700   22.659   95.100   22.746   32.920   2.9461   27.742   3.5539 5.178188 4.616203 
1 1 1   18   27   14 o   25.887   2.0396   80.462   12.367   84.200   17.348   76.600   17.633   26.285   2.8401   24.997   3.0507 1.288460 4.168073 
1 1 1   18   27   15 f   39.030   2.5370  183.767   23.255  181.000   32.697  186.600   33.082   38.299   3.6599   38.899   3.6440 -0.5997467 5.164636 
1 1 1   18   27   16 o   42.369   2.7222  217.245   27.091  229.700   38.243  204.700   38.382   43.085   3.7977   40.521   4.0662 2.564030 5.563853 
1 1 1   18   27   17 o   23.395   1.8559   65.676   10.169   59.000   14.202   72.700   14.567   21.935   2.8061   24.453   2.5606 -2.517908 3.798834 
1 1 1   18   27   18 o   20.783   1.8400   51.908   8.9366   54.000   12.616   49.800   12.661   21.024   2.5963   20.141   2.7327 0.8833199 3.769370 
1 1 1   18   27   19 o   9.5637   1.7395   11.231   3.7837   11.100   5.0389   11.400   5.7291   9.4350   2.2858   9.5605   2.5069 -0.1254148 3.392539 
1 1 1   18   27   20 o   30.233   2.2067  110.159   15.645  117.700   22.040  102.500   22.212   30.977   3.0528   28.785   3.3293 2.191317 4.517044 
1 1 1   18   27   21 o   20.794   1.9117   52.086   9.2818   56.700   12.943   47.200   13.318   21.532   2.5982   19.506   2.9864 2.025257 3.958418 
1 1 1   18   27   22 o   33.628   2.2754  136.465   17.962  127.500   25.283  145.600   25.522   32.080   3.3889   34.396   3.1783 -2.315933 4.646083 
1 1 1   18   27   23 o   18.760   1.7729   42.384   7.7608   36.600   10.961   48.200   10.990   17.162   2.8012   19.868   2.3906 -2.705193 3.682650 
1 1 1   18   27   24 o   33.298   2.2790  134.166   17.812  152.500   25.213  115.900   25.167   35.177   3.0660   30.401   3.5739 4.775585 4.708852 
1 1 1   18   27   25 o   12.795   1.6483   19.865   4.8644   23.700   6.9114   16.100   6.8477   13.870   2.1824   11.296   2.6183 2.573504 3.408510 
1 1 1   18   27   26 o   26.388   1.9259   84.054   11.918  102.400   16.970   66.200   16.741   28.929   2.5090   22.961   3.1723 5.967873 4.044549 
1 1 1   18   27   27 o   26.263   2.9464   85.900   17.957   0.0000   0.0000   85.900   17.957  ?   ?    26.263   2.9464 0.000000 2.946376 
1 1 1   18   27   28 o   5.1263   1.8959   2.5000   3.0400   0.0000   0.0000   2.5000   3.0400  ?   ?    5.1263   1.8959 0.000000 1.895898 
1 1 1   18   27   29 o   20.161   2.6762   50.800   12.426   0.0000   0.0000   50.800   12.426  ?   ?    20.161   2.6762 0.000000 2.676154 
1 1 1   18   27   30 o   11.745   2.8886   17.800   7.9558   0.0000   0.0000   17.800   7.9558  ?   ?    11.745   2.8886 0.000000 2.888646 
1 1 1   18   27   31 o   22.660   2.9451   65.000   15.386   0.0000   0.0000   65.000   15.386  ?   ?    22.660   2.9451 0.000000 2.945117 
1 1 1   18   27   32 o   27.407   3.2136   96.100   20.403   0.0000   0.0000   96.100   20.403  ?   ?    27.407   3.2136 0.000000 3.213608 
1 1 1   18   27   33 o   16.585   2.8111   35.200   10.616   0.0000   0.0000   35.200   10.616  ?   ?    16.585   2.8111 0.000000 2.811051 
1 1 1   18   27   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   27   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28    0 o   51.627   4.5490  328.400   54.466  328.400   54.466  328.400   54.466   51.627   4.5490   51.627   4.5490 0.000000 0.000000 
1 1 1   18   28    1 o   49.573   2.8253  295.819   32.936  370.000   46.699  222.400   46.458   55.140   3.6064   42.209   4.7433 12.93075 5.958636 
1 1 1   18   28    2 o   41.338   2.6236  205.420   25.478  197.700   35.961  213.200   36.102   40.146   3.8402   41.757   3.6996 -1.611229 5.332390 
1 1 1   18   28    3 o   60.279   3.5523  441.747   50.341  434.000   71.180  449.500   71.205   58.810   5.1785   59.923   5.0800 -1.113205 7.254161 
1 1 1   18   28    4 o   64.695   3.7915  510.901   57.669  508.100   81.575  513.700   81.538   63.389   5.5045   63.767   5.4680 -0.3780060 7.758730 
1 1 1   18   28    5 o   27.473   1.9744   90.327   12.723  106.200   18.093   74.800   17.895   29.662   2.6098   24.721   3.1361 4.940380 4.079939 
1 1 1   18   28    6 o   45.392   2.8027  248.408   29.894  266.700   42.326  230.200   42.228   46.609   3.8810   43.140   4.1986 3.469795 5.717490 
1 1 1   18   28    7 o   61.979   3.6541  468.749   53.242  467.800   75.258  469.700   75.334   60.857   5.2896   60.986   5.2834 -0.1289139 7.476266 
1 1 1   18   28    8 o   18.486   1.8307   41.048   7.8863   45.000   11.020   36.900   11.290   19.233   2.4846   17.299   2.8641 1.934509 3.791609 
1 1 1   18   28    9 o   49.756   2.9830  299.471   34.887  275.500   49.257  323.600   49.418   47.009   4.4920   51.184   4.1238 -4.174728 6.097834 
1 1 1   18   28   10 o   21.551   1.8750   55.712   9.4466   52.500   13.385   58.900   13.334   20.710   2.8096   22.004   2.6175 -1.294371 3.839945 
1 1 1   18   28   11 o   33.966   2.2880  138.623   18.245  124.700   25.686  152.800   25.920   31.844   3.4721   35.408   3.1323 -3.563971 4.676217 
1 1 1   18   28   12 o   41.928   2.7113  212.420   26.700  223.000   37.636  201.700   37.885   42.511   3.7890   40.298   4.0355 2.212498 5.535433 
1 1 1   18   28   13 o   8.4373   1.7818   8.7933   3.4386   6.1000   4.7345   11.800   5.0024   7.2758   2.3865   9.7418   2.2236 -2.465980 3.261807 
1 1 1   18   28   14 o   8.2849   1.7993   8.4905   3.4194   7.1000   4.6046   10.200   5.1056   7.6750   2.3335   9.0579   2.3624 -1.382892 3.320591 
1 1 1   18   28   15 o   42.225   2.7837  216.114   27.600  237.000   38.881  194.900   39.185   43.750   3.8013   39.400   4.2806 4.349827 5.724833 
1 1 1   18   28   16 o   41.065   2.7073  204.246   26.105  212.800   36.612  195.400   37.231   41.434   3.7838   39.560   4.0424 1.874592 5.536955 
1 1 1   18   28   17 o   61.163   3.5853  460.252   51.555  527.500   72.991  393.300   72.830   64.458   4.8306   54.866   5.7048 9.592232 7.475243 
1 1 1   18   28   18 o   21.932   1.9152   57.868   9.8193   61.300   13.753   54.300   14.024   22.394   2.6524   20.986   2.9081 1.408411 3.936022 
1 1 1   18   28   19 o   35.928   2.3828  155.807   20.101  149.400   28.226  162.400   28.633   34.751   3.4867   36.293   3.3800 -1.541237 4.856054 
1 1 1   18   28   20 o   24.929   2.0302   74.851   11.847   89.000   16.695   60.500   16.814   27.021   2.6506   22.011   3.3398 5.009512 4.263803 
1 1 1   18   28   21 o   34.908   2.4005  147.355   19.667  157.600   27.740  137.000   27.888   35.730   3.3261   33.160   3.6204 2.569668 4.916348 
1 1 1   18   28   22 o   22.532   1.9180   61.173   10.108   62.200   14.142   60.100   14.453   22.500   2.7167   22.073   2.8387 0.4274559 3.929201 
1 1 1   18   28   23 o   52.771   3.2214  343.587   39.950  351.900   56.542  335.300   56.452   52.238   4.6318   50.870   4.7547 1.367664 6.637824 
1 1 1   18   28   24 o   36.212   2.4277  159.396   20.639  179.400   29.190  139.400   29.184   37.986   3.2867   33.175   3.7936 4.810768 5.019332 
1 1 1   18   28   25 o   33.503   2.1156  135.824   16.651  176.000   23.707   96.700   23.394   37.895   2.6663   27.553   3.6881 10.34186 4.550955 
1 1 1   18   28   26 o   27.402   3.0378   93.700   19.325   0.0000   0.0000   93.700   19.325  ?   ?    27.402   3.0378 0.000000 3.037787 
1 1 1   18   28   27 o   18.811   2.6257   44.100   11.345   0.0000   0.0000   44.100   11.345  ?   ?    18.811   2.6257 0.000000 2.625734 
1 1 1   18   28   28 o   19.316   2.6354   46.600   11.707   0.0000   0.0000   46.600   11.707  ?   ?    19.316   2.6354 0.000000 2.635368 
1 1 1   18   28   29 o   23.916   2.9366   72.100   16.236   0.0000   0.0000   72.100   16.236  ?   ?    23.916   2.9366 0.000000 2.936604 
1 1 1   18   28   30 o   25.905   3.1025   85.200   18.601   0.0000   0.0000   85.200   18.601  ?   ?    25.905   3.1025 0.000000 3.102455 
1 1 1   18   28   31 o   9.4034   2.8147   11.200   6.7380   0.0000   0.0000   11.200   6.7380  ?   ?    9.4034   2.8147 0.000000 2.814716 
1 1 1   18   28   32 o   3.6718   1.6715  -1.9000   3.1848   0.0000   0.0000  -1.9000   3.1848  ?   ?    3.6718   1.6715 0.000000 1.671486 
1 1 1   18   28   33 o   19.628   2.9113   49.500   13.084   0.0000   0.0000   49.500   13.084  ?   ?    19.628   2.9113 0.000000 2.911290 
1 1 1   18   28   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   28   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29    0 o   54.322   4.7654  365.100   60.046  365.100   60.046  365.100   60.046   54.322   4.7654   54.322   4.7654 0.000000 0.000000 
1 1 1   18   29    1 o   44.798   2.7507  241.897   28.958  206.000   40.894  278.000   41.011   40.713   4.3197   47.667   3.6718 -6.954281 5.669327 
1 1 1   18   29    2 o   34.742   2.3772  144.999   19.385  128.600   27.455  161.300   27.373   32.323   3.6617   36.401   3.2177 -4.077259 4.874595 
1 1 1   18   29    3 o   10.742   1.6649   14.029   4.0866   23.100   5.8704   5.5000   5.6923   13.814   1.8458   7.3096   2.6098 6.504203 3.196565 
1 1 1   18   29    4 o   14.831   1.6953   26.478   5.8303   33.100   8.4280   20.400   8.0739   16.506   2.2185   12.794   2.7539 3.711473 3.536370 
1 1 1   18   29    5 o   31.297   2.2053  117.543   16.194  122.800   22.916  112.300   22.886   31.750   3.0960   30.302   3.2492 1.447687 4.488050 
1 1 1   18   29    6 o   42.493   2.6952  217.751   26.903  209.600   38.050  225.900   38.044   41.192   3.9607   42.849   3.7993 -1.657635 5.488370 
1 1 1   18   29    7 o   7.7233   1.8095   7.3829   3.2422   4.3000   4.6102   10.400   4.5607   6.5247   2.3466   9.1526   2.1472 -2.627882 3.180753 
1 1 1   18   29    8 o   41.724   2.6447  209.981   25.923  201.600   36.619  218.400   36.701   40.390   3.8875   42.125   3.7281 -1.735477 5.386182 
1 1 1   18   29    9 o   52.861   3.1606  339.670   39.271  368.500   55.616  311.000   55.461   54.373   4.3685   49.663   4.7886 4.709995 6.481885 
1 1 1   18   29   10 o   10.557   1.7896   13.629   4.3018   12.200   6.1476   15.000   6.0216   9.8972   2.5976   10.981   2.3900 -1.084100 3.529880 
1 1 1   18   29   11 o   25.219   1.9481   76.312   11.511   67.900   16.149   85.000   16.413   23.525   2.9736   26.449   2.6642 -2.924341 3.992505 
1 1 1   18   29   12 o   21.798   1.8339   57.021   9.3519   49.200   13.119   65.100   13.334   19.996   2.8600   23.156   2.4770 -3.160629 3.783562 
1 1 1   18   29   13 o   4.3653   1.6336   1.6940   2.2703   2.0000   2.7945   1.1000   3.8939   4.7987   1.8091   5.0422   2.0612 -0.2435145 2.742573 
1 1 1   18   29   14 o   39.840   2.5717  191.771   24.064  220.200   34.049  163.400   34.014   42.336   3.4356   36.149   4.0546 6.186749 5.314446 
1 1 1   18   29   15 o   10.699   1.7727   13.995   4.3218   13.900   5.9542   14.100   6.2830   10.552   2.4386   10.618   2.5399 -0.6677818E-01 3.521064 
1 1 1   18   29   16 o   39.835   2.6325  192.136   24.623  209.900   34.738  174.200   34.906   41.207   3.6063   37.307   4.0261 3.900463 5.405138 
1 1 1   18   29   17 o   25.506   2.0426   78.288   12.199   83.900   17.121   72.500   17.386   26.196   2.8117   24.237   3.1095 1.959629 4.192207 
1 1 1   18   29   18 o   16.936   1.8023   34.596   7.0969   37.700   9.8899   31.300   10.190   17.539   2.4553   15.858   2.8248 1.681054 3.742686 
1 1 1   18   29   19 o   22.920   1.9335   63.222   10.367   64.200   14.505   62.200   14.821   22.884   2.7386   22.484   2.8559 0.3996811 3.956823 
1 1 1   18   29   20 o   11.744   1.7440   16.803   4.6896   17.300   6.3319   16.200   6.9793   11.791   2.3566   11.355   2.6511 0.4363956 3.547091 
1 1 1   18   29   21 o   15.492   1.9500   29.174   6.9751   41.900   9.6582   15.300   10.084   18.533   2.2533   11.127   3.4658 7.405520 4.133910 
1 1 1   18   29   22 o   29.896   2.1146  107.968   14.832  121.300   21.081   94.900   20.871   31.407   2.8745   27.587   3.2675 3.820189 4.351886 
1 1 1   18   29   23 o   23.075   1.9188   64.301   10.361   64.500   14.621   64.100   14.683   22.843   2.7671   22.762   2.7902 0.8027267E-01 3.929621 
1 1 1   18   29   24 o   49.174   4.5780  315.700   52.548   0.0000   0.0000  315.700   52.548  ?   ?    49.174   4.5780 0.000000 4.578027 
1 1 1   18   29   25 o   10.532   2.4310   14.000   5.9233   0.0000   0.0000   14.000   5.9233  ?   ?    10.532   2.4310 0.000000 2.431006 
1 1 1   18   29   26 o   35.014   3.5253  156.000   28.751   0.0000   0.0000  156.000   28.751  ?   ?    35.014   3.5253 0.000000 3.525256 
1 1 1   18   29   27 o   14.269   2.5214   25.600   8.1848   0.0000   0.0000   25.600   8.1848  ?   ?    14.269   2.5214 0.000000 2.521399 
1 1 1   18   29   28 o   23.695   2.8489   70.500   15.621   0.0000   0.0000   70.500   15.621  ?   ?    23.695   2.8489 0.000000 2.848882 
1 1 1   18   29   29 o   24.086   3.0022   73.400   16.704   0.0000   0.0000   73.400   16.704  ?   ?    24.086   3.0022 0.000000 3.002168 
1 1 1   18   29   30 o   7.4399   2.4930   6.5000   5.1586   0.0000   0.0000   6.5000   5.1586  ?   ?    7.4399   2.4930 0.000000 2.492963 
1 1 1   18   29   31 o   22.967   2.9061   67.000   15.408   0.0000   0.0000   67.000   15.408  ?   ?    22.967   2.9061 0.000000 2.906120 
1 1 1   18   29   32 o   16.611   2.8852   35.600   10.907   0.0000   0.0000   35.600   10.907  ?   ?    16.611   2.8852 0.000000 2.885213 
1 1 1   18   29   33 o   7.7130   2.5807   7.2000   5.5281   0.0000   0.0000   7.2000   5.5281  ?   ?    7.7130   2.5807 0.000000 2.580733 
1 1 1   18   29   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   29   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30    0 f   34.797   3.4568  149.200   27.761  149.200   27.761  149.200   27.761   34.797   3.4568   34.797   3.4568 0.000000 0.000000 
1 1 1   18   30    1 o   49.875   3.0223  301.470   35.426  283.700   50.059  319.300   50.143   47.637   4.5035   50.723   4.2248 -3.086315 6.175027 
1 1 1   18   30    2 o   32.869   2.2046  129.684   17.012  145.900   24.223  113.900   23.898   34.642   2.9905   30.451   3.3805 4.191223 4.513404 
1 1 1   18   30    3 o   35.325   2.3596  150.071   19.570  141.100   27.631  159.100   27.720   33.877   3.5048   36.074   3.2903 -2.197372 4.807257 
1 1 1   18   30    4 o   23.688   1.9200   67.309   10.647   59.500   15.019   75.200   15.097   22.014   2.9645   24.889   2.6073 -2.874889 3.947947 
1 1 1   18   30    5 o   46.835   2.9042  265.653   31.961  260.600   45.214  270.700   45.184   45.752   4.2331   46.686   4.1416 -0.9347687 5.922125 
1 1 1   18   30    6 o   10.930   1.7447   14.563   4.3515   14.300   6.3209   14.800   5.9995   10.704   2.5391   10.907   2.3950 -0.2025127 3.490420 
1 1 1   18   30    7 o   25.161   1.9643   75.967   11.578   71.200   16.318   80.800   16.430   24.117   2.9253   25.764   2.7428 -1.647202 4.010070 
1 1 1   18   30    8 o   4.2179   1.5583   1.6500   2.0525  -5.4000   2.9027   8.7000   2.9027   2.7747   1.3542   8.4318   1.5135 -5.657033 2.030874 
1 1 1   18   30    9 o   73.727   4.3771  678.240   75.862  700.200  107.067  656.100  107.503   72.897   6.2812   70.229   6.5584 2.667953 9.081103 
1 1 1   18   30   10 o   23.794   1.9475   67.998   10.847   61.200   15.282   74.900   15.398   22.308   2.9752   24.803   2.6711 -2.495029 3.998285 
1 1 1   18   30   11 o   16.151   1.7695   31.435   6.6381   31.000   9.2399   31.900   9.5428   15.868   2.5525   16.090   2.6004 -0.2217646 3.643800 
1 1 1   18   30   12 o   20.557   1.9005   50.837   9.1213   54.000   12.731   47.500   13.075   21.024   2.6212   19.620   2.9104 1.403681 3.916821 
1 1 1   18   30   13 o   37.046   2.3168  165.225   20.165  135.000   28.255  196.600   28.788   32.974   3.6922   40.145   3.0598 -7.171326 4.795284 
1 1 1   18   30   14 o   36.754   2.4129  162.991   20.825  150.500   29.324  175.700   29.580   34.849   3.6161   37.801   3.3484 -2.952229 4.928319 
1 1 1   18   30   15 o   33.603   2.3247  136.154   18.333  129.300   25.935  143.000   25.918   32.342   3.4492   34.108   3.2576 -1.766094 4.744352 
1 1 1   18   30   16 o   30.052   2.0858  108.605   14.710   98.900   20.502  118.900   21.116   28.353   3.1135   31.195   2.8998 -2.841791 4.254771 
1 1 1   18   30   17 o   34.176   2.4358  141.242   19.529  164.700   27.506  117.400   27.730   36.610   3.2143   30.558   3.9344 6.052025 5.080484 
1 1 1   18   30   18 o   19.687   1.8405   46.676   8.4570   37.800   11.911   55.700   12.009   17.401   3.0076   21.380   2.4215 -3.978746 3.861314 
1 1 1   18   30   19 o   25.876   2.0854   80.800   12.634   91.300   17.742   70.000   17.994   27.293   2.7923   23.681   3.3082 3.611723 4.329086 
1 1 1   18   30   20 o   39.636   2.5733  191.054   23.954  185.700   33.733  196.500   34.022   38.447   3.7638   39.610   3.6795 -1.162376 5.263573 
1 1 1   18   30   21 o   48.385   2.9862  287.634   33.951  276.200   47.877  299.200   48.153   46.351   4.4282   48.402   4.2563 -2.051140 6.142083 
1 1 1   18   30   22 o   25.347   1.9069   77.515   11.330   95.200   16.304   61.000   15.756   27.902   2.5012   22.066   3.1101 5.835962 3.991050 
1 1 1   18   30   23 o   34.268   3.4404  147.700   27.463   0.0000   0.0000  147.700   27.463  ?   ?    34.268   3.4404 0.000000 3.440392 
1 1 1   18   30   24 o   19.069   2.6344   45.200   11.546   0.0000   0.0000   45.200   11.546  ?   ?    19.069   2.6344 0.000000 2.634402 
1 1 1   18   30   25 o   14.577   2.5713   26.700   8.5269   0.0000   0.0000   26.700   8.5269  ?   ?    14.577   2.5713 0.000000 2.571262 
1 1 1   18   30   26 o   9.5688   2.3704   11.600   5.3283   0.0000   0.0000   11.600   5.3283  ?   ?    9.5688   2.3704 0.000000 2.370378 
1 1 1   18   30   27 o   15.904   2.5852   31.800   9.3756   0.0000   0.0000   31.800   9.3756  ?   ?    15.904   2.5852 0.000000 2.585235 
1 1 1   18   30   28 o   16.418   2.7923   34.200   10.438   0.0000   0.0000   34.200   10.438  ?   ?    16.418   2.7923 0.000000 2.792321 
1 1 1   18   30   29 o   35.737   3.7403  166.500   31.096   0.0000   0.0000  166.500   31.096  ?   ?    35.737   3.7403 0.000000 3.740309 
1 1 1   18   30   30 o   13.916   2.7095   24.800   8.5834   0.0000   0.0000   24.800   8.5834  ?   ?    13.916   2.7095 0.000000 2.709512 
1 1 1   18   30   31 o   18.901   2.9024   45.900   12.540   0.0000   0.0000   45.900   12.540  ?   ?    18.901   2.9024 0.000000 2.902356 
1 1 1   18   30   32 o   17.223   2.7222   38.200   10.703   0.0000   0.0000   38.200   10.703  ?   ?    17.223   2.7222 0.000000 2.722205 
1 1 1   18   30   33 o   23.518   3.1789   73.700   17.201   0.0000   0.0000   73.700   17.201  ?   ?    23.518   3.1789 0.000000 3.178851 
1 1 1   18   30   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   30   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31    0 o   23.931   2.9181   71.300   15.835   71.300   15.835   71.300   15.835   23.931   2.9181   23.931   2.9181 0.000000 0.000000 
1 1 1   18   31    1 o   43.651   2.7466  230.442   28.166  212.400   39.824  248.500   39.842   41.282   4.1411   44.863   3.7966 -3.580044 5.618031 
1 1 1   18   31    2 o   86.906   4.6729  947.265   95.544  1165.20  135.428  731.300  134.815   94.502   6.1014   72.363   8.0248 22.13855 10.08090 
1 1 1   18   31    3 o   34.953   2.3480  147.066   19.267  139.500   27.187  154.700   27.309   33.659   3.4703   35.532   3.2922 -1.873634 4.783513 
1 1 1   18   31    4 o   11.225   1.6860   15.319   4.3308   23.900   6.2515   7.4000   6.0053   14.026   1.9393   8.0537   2.6898 5.972755 3.316045 
1 1 1   18   31    5 o   32.327   2.3265  125.852   17.641  114.300   25.116  137.100   24.783   30.398   3.5668   33.476   3.1731 -3.077459 4.773915 
1 1 1   18   31    6 o   9.6797   1.7198   11.480   3.7869   9.2000   5.3920   13.700   5.3196   8.6561   2.4988   10.508   2.2137 -1.851974 3.338347 
1 1 1   18   31    7 o   43.211   2.6995  225.794   27.406  261.300   38.789  190.400   38.728   46.089   3.5924   38.968   4.2792 7.120987 5.587255 
1 1 1   18   31    8 o   22.568   2.0172   61.299   10.637   69.000   14.769   53.000   15.332   23.793   2.6751   20.651   3.2515 3.141638 4.210499 
1 1 1   18   31    9 o   23.268   1.9046   65.004   10.373   61.100   14.411   69.200   14.941   22.337   2.7932   23.817   2.7046 -1.479401 3.888083 
1 1 1   18   31   10 o   29.653   2.1650  105.774   15.055  116.100   21.266   95.400   21.315   30.836   2.9568   27.806   3.3114 3.029537 4.439350 
1 1 1   18   31   11 o   24.785   1.9533   73.798   11.339   66.500   15.980   81.200   16.093   23.251   2.9790   25.819   2.6785 -2.567711 4.006092 
1 1 1   18   31   12 o   9.9462   1.8539   12.172   4.1939   8.1000   6.0250   16.000   5.8415   8.3066   2.6903   11.362   2.2569 -3.055111 3.511579 
1 1 1   18   31   13 o   43.920   2.6036  233.255   26.881  292.800   38.176  174.700   37.858   48.871   3.3279   37.165   4.3992 11.70694 5.516146 
1 1 1   18   31   14 o   40.795   2.5838  201.412   24.761  180.900   34.901  222.200   35.136   38.041   3.9426   42.415   3.5405 -4.373703 5.298924 
1 1 1   18   31   15 f   19.538   1.9025   46.011   8.6660   54.400   12.141   37.300   12.373   21.120   2.4818   17.253   3.1531 3.866980 4.012690 
1 1 1   18   31   16 o   32.122   2.2980  124.586   17.316  134.300   24.382  114.700   24.595   33.039   3.1639   30.377   3.4924 2.662006 4.712494 
1 1 1   18   31   17 o   6.2460   1.7149   4.8000   2.6064   4.8000   3.5643   4.8000   3.8211   6.4128   2.0684   6.4770   2.1449 -0.6414890E-01 2.979751 
1 1 1   18   31   18 o   4.3877   1.5874   1.9031   2.1135   1.6000   2.4832   2.7000   4.0262   4.4340   1.6973   5.6670   2.1631 -1.232944 2.749501 
1 1 1   18   31   19 o   44.689   2.8656  244.514   30.080  250.000   42.297  238.900   42.786   44.395   4.0804   43.273   4.2417 1.121941 5.885715 
1 1 1   18   31   20 o   26.078   2.1219   82.364   12.953  106.900   18.239   57.400   18.398   29.539   2.6428   21.117   3.8306 8.421696 4.653769 
1 1 1   18   31   21 o   21.525   2.7387   57.400   13.605   0.0000   0.0000   57.400   13.605  ?   ?    21.525   2.7387 0.000000 2.738707 
1 1 1   18   31   22 o   56.461   5.2770  429.600   69.540   0.0000   0.0000  429.600   69.540  ?   ?    56.461   5.2770 0.000000 5.276952 
1 1 1   18   31   23 o   29.153   3.1566  106.700   21.383   0.0000   0.0000  106.700   21.383  ?   ?    29.153   3.1566 0.000000 3.156612 
1 1 1   18   31   24 o   31.498   3.2941  125.400   24.138   0.0000   0.0000  125.400   24.138  ?   ?    31.498   3.2941 0.000000 3.294118 
1 1 1   18   31   25 o   7.9823   2.3762   7.9000   4.8120   0.0000   0.0000   7.9000   4.8120  ?   ?    7.9823   2.3762 0.000000 2.376244 
1 1 1   18   31   26 o   24.043   2.8750   72.600   15.999   0.0000   0.0000   72.600   15.999  ?   ?    24.043   2.8750 0.000000 2.874969 
1 1 1   18   31   27 o   14.290   2.4909   25.700   8.0995   0.0000   0.0000   25.700   8.0995  ?   ?    14.290   2.4909 0.000000 2.490880 
1 1 1   18   31   28 o   31.524   3.4490  128.000   25.255   0.0000   0.0000  128.000   25.255  ?   ?    31.524   3.4490 0.000000 3.448976 
1 1 1   18   31   29 o   31.347   3.4193  127.000   24.900   0.0000   0.0000  127.000   24.900  ?   ?    31.347   3.4193 0.000000 3.419346 
1 1 1   18   31   30 o   15.994   2.8515   33.000   10.374   0.0000   0.0000   33.000   10.374  ?   ?    15.994   2.8515 0.000000 2.851521 
1 1 1   18   31   31 o   11.220   2.8493   16.600   7.5633   0.0000   0.0000   16.600   7.5633  ?   ?    11.220   2.8493 0.000000 2.849308 
1 1 1   18   31   32 o   12.380   2.9543   20.600   8.5163   0.0000   0.0000   20.600   8.5163  ?   ?    12.380   2.9543 0.000000 2.954269 
1 1 1   18   31   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   31   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   32    0 o   24.720   2.9494   76.000   16.569   76.000   16.569   76.000   16.569   24.720   2.9494   24.720   2.9494 0.000000 0.000000 
1 1 1   18   32    1 o   19.758   1.8689   46.949   8.6162   52.400   12.131   41.400   12.240   20.735   2.5299   18.293   2.9327 2.442432 3.873163 
1 1 1   18   32    2 f   29.536   2.1077  104.801   14.604  113.700   20.711   96.000   20.596   30.542   2.9067   27.955   3.1764 2.586695 4.305618 
1 1 1   18   32    3 o   8.5641   1.8404   9.0726   3.6109   9.8000   5.2096   8.4000   5.0095   8.8919   2.4175   8.2849   2.4134 0.6070471 3.416004 
1 1 1   18   32    4 o   35.317   2.3899  150.307   19.814  147.700   28.059  152.900   27.983   34.622   3.4792   35.263   3.4028 -0.6408424 4.866602 
1 1 1   18   32    5 o   57.408   3.4247  403.473   46.213  430.200   65.388  376.800   65.323   58.315   4.7908   54.269   5.1595 4.046181 7.040792 
1 1 1   18   32    6 o   49.868   3.0491  302.570   35.732  295.200   50.432  310.000   50.635   48.454   4.4577   49.729   4.3560 -1.275204 6.232617 
1 1 1   18   32    7 f   3.8384   1.6057   0.3000   2.4378   0.3000   3.1309   0.3000   3.8851   4.3157   1.8134   4.7796   2.0148 -0.4639654 2.710635 
1 1 1   18   32    8 o   25.154   1.9682   76.009   11.597   90.400   16.454   61.800   16.349   27.287   2.5844   22.340   3.1898 4.946785 4.105327 
1 1 1   18   32    9 o   51.213   3.1337  319.807   37.714  334.700   53.324  304.900   53.348   51.606   4.4184   49.076   4.6593 2.529839 6.421191 
1 1 1   18   32   10 o   28.668   2.0755   98.797   13.955   90.900   19.610  106.900   19.863   27.189   3.1104   29.590   2.8792 -2.401236 4.238406 
1 1 1   18   32   11 o   72.627   4.3132  660.781   73.638  667.700  103.911  653.800  104.372   70.794   6.2811   69.909   6.3933 0.8848267 8.962522 
1 1 1   18   32   12 o   19.094   1.8090   43.867   8.0590   35.500   11.185   52.900   11.622   16.895   2.9085   20.847   2.4049 -3.952175 3.774021 
1 1 1   18   32   13 o   41.094   2.7210  204.966   26.254  221.900   36.950  187.700   37.311   42.266   3.7409   38.625   4.1563 3.640667 5.591846 
1 1 1   18   32   14 o   50.555   3.1687  313.126   37.635  371.600   53.167  254.400   53.282   54.385   4.1718   44.212   5.2031 10.17304 6.669071 
1 1 1   18   32   15 o   14.848   1.7172   26.643   5.9094   27.800   8.3845   25.500   8.3302   15.002   2.4515   14.328   2.5558 0.6736803 3.541449 
1 1 1   18   32   16 o   41.666   2.6435  211.203   25.874  266.300   36.623  156.300   36.559   46.394   3.3659   34.808   4.5572 11.58537 5.665493 
1 1 1   18   32   17 o   29.386   2.1599  104.375   14.883  102.900   20.873  105.900   21.226   28.821   3.1166   29.240   3.1224 -0.4190083 4.411634 
1 1 1   18   32   18 f   19.502   1.9122   46.016   8.6927   58.000   12.186   33.600   12.404   21.774   2.4104   16.220   3.3493 5.553911 4.126524 
1 1 1   18   32   19 o   25.140   2.0276   76.462   11.934   85.000   16.916   68.000   16.840   26.252   2.7706   23.307   3.1397 2.944624 4.187392 
1 1 1   18   32   20 o   19.448   2.7216   47.000   12.156   0.0000   0.0000   47.000   12.156  ?   ?    19.448   2.7216 0.000000 2.721629 
1 1 1   18   32   21 o   21.081   2.7021   55.200   13.141   0.0000   0.0000   55.200   13.141  ?   ?    21.081   2.7021 0.000000 2.702083 
1 1 1   18   32   22 o   6.2242   2.0992   4.4000   3.6580   0.0000   0.0000   4.4000   3.6580  ?   ?    6.2242   2.0992 0.000000 2.099218 
1 1 1   18   32   23 o   31.309   3.2856  124.000   23.929   0.0000   0.0000  124.000   23.929  ?   ?    31.309   3.2856 0.000000 3.285595 
1 1 1   18   32   24 o   34.021   3.4721  147.700   27.503   0.0000   0.0000  147.700   27.503  ?   ?    34.021   3.4721 0.000000 3.472141 
1 1 1   18   32   25 o   11.909   2.5214   18.000   6.8695   0.0000   0.0000   18.000   6.8695  ?   ?    11.909   2.5214 0.000000 2.521375 
1 1 1   18   32   26 o   19.397   2.6745   47.200   11.924   0.0000   0.0000   47.200   11.924  ?   ?    19.397   2.6745 0.000000 2.674454 
1 1 1   18   32   27 o   21.277   2.8322   57.200   13.876   0.0000   0.0000   57.200   13.876  ?   ?    21.277   2.8322 0.000000 2.832245 
1 1 1   18   32   28 o   14.105   2.7361   25.500   8.7841   0.0000   0.0000   25.500   8.7841  ?   ?    14.105   2.7361 0.000000 2.736109 
1 1 1   18   32   29 o   7.9828   2.5970   7.8000   5.6109   0.0000   0.0000   7.8000   5.6109  ?   ?    7.9828   2.5970 0.000000 2.596962 
1 1 1   18   32   30 o   5.2524   2.1818   1.1000   4.4564   0.0000   0.0000   1.1000   4.4564  ?   ?    5.2524   2.1818 0.000000 2.181818 
1 1 1   18   32   31 o   7.7319   2.3798   7.6000   4.7705   0.0000   0.0000   7.6000   4.7705  ?   ?    7.7319   2.3798 0.000000 2.379777 
1 1 1   18   32   32 o   5.9644   2.3628   2.9000   4.9459   0.0000   0.0000   2.9000   4.9459  ?   ?    5.9644   2.3628 0.000000 2.362794 
1 1 1   18   32   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   32   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   32   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   32   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   32   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   33    0 o   10.065   2.9636   14.800   6.1211   14.800   6.1211   14.800   6.1211   10.065   2.9636   10.065   2.9636 0.000000 0.000000 
1 1 1   18   33    1 o   50.138   3.0537  305.906   35.982  328.500   50.936  283.400   50.836   51.269   4.2455   47.370   4.6028 3.899220 6.261818 
1 1 1   18   33    2 o   13.678   1.7182   22.621   5.4272   29.900   7.7175   15.500   7.6336   15.670   2.1418   11.118   2.8833 4.551983 3.591779 
1 1 1   18   33    3 o   67.409   3.8572  561.524   61.142  462.100   86.371  661.400   86.566   59.000   6.2967   71.977   5.1268 -12.97671 8.119855 
1 1 1   18   33    4 o   30.133   2.1804  109.250   15.410   90.000   21.792  128.500   21.792   26.922   3.5116   32.479   2.8710 -5.557749 4.535838 
1 1 1   18   33    5 o   40.694   2.6308  200.343   25.146  199.700   35.361  201.000   35.765   40.126   3.7764   40.241   3.8091 -0.1149330 5.363809 
1 1 1   18   33    6 o   53.424   3.1473  348.183   39.529  315.800   55.592  381.300   56.218   49.839   4.7824   55.125   4.3542 -5.286407 6.467697 
1 1 1   18   33    7 f   9.0188   2.1554   10.125   4.5277   11.800   6.4517   8.5000   6.3556   9.7418   2.7073   8.5089   2.7637 1.232957 3.868780 
1 1 1   18   33    8 o   30.345   2.2477  110.994   15.991  126.200   22.510   95.500   22.722   32.121   3.0026   27.705   3.5552 4.415571 4.653485 
1 1 1   18   33    9 o   34.308   2.3875  142.088   19.222  152.700   27.073  131.300   27.296   35.234   3.2921   32.516   3.6163 2.718433 4.890379 
1 1 1   18   33   10 o   48.403   3.0559  285.926   34.749  298.300   48.897  273.300   49.391   48.687   4.2972   46.406   4.5663 2.280769 6.270379 
1 1 1   18   33   11 o   63.351   3.6963  496.909   55.055  464.700   77.514  529.700   78.210   59.538   5.5785   63.974   5.2228 -4.436115 7.641778 
1 1 1   18   33   12 o   96.964   5.7026  1238.64  129.996  1468.30  184.046  1010.00  183.639  101.285   7.7541   79.668   9.9807 21.61765 12.63881 
1 1 1   18   33   13 o   16.294   1.7171   32.022   6.5071   24.800   8.9297   40.200   9.5018   14.065   2.7873   18.150   2.2665 -4.085060 3.592437 
1 1 1   18   33   14 o   1.6427   0.8191  -3.3703   1.2808  -4.2000   1.3539   3.7000   3.9523   1.5873   0.7986   6.0338   2.1724 -4.446507 2.314596 
1 1 1   18   33   15 o   21.153   1.9335   54.039   9.5507   67.500   13.438   40.300   13.576   23.511   2.4568   17.824   3.3486 5.686535 4.153150 
1 1 1   18   33   16 o   34.956   2.3499  148.254   19.285  141.600   27.081  155.100   27.468   33.641   3.4583   35.289   3.3359 -1.647816 4.804996 
1 1 1   18   33   17 o   36.994   2.3945  166.330   20.805  143.800   29.282  189.300   29.567   33.700   3.7429   39.029   3.2374 -5.329063 4.948750 
1 1 1   18   33   18 o   18.459   2.7245   42.400   11.519   0.0000   0.0000   42.400   11.519  ?   ?    18.459   2.7245 0.000000 2.724466 
1 1 1   18   33   19 o   26.979   3.0934   91.000   19.351   0.0000   0.0000   91.000   19.351  ?   ?    26.979   3.0934 0.000000 3.093401 
1 1 1   18   33   20 o   28.931   3.1404  105.000   21.110   0.0000   0.0000  105.000   21.110  ?   ?    28.931   3.1404 0.000000 3.140445 
1 1 1   18   33   21 o   6.0085   2.1073   3.9000   3.6969   0.0000   0.0000   3.9000   3.6969  ?   ?    6.0085   2.1073 0.000000 2.107309 
1 1 1   18   33   22 o   46.185   4.4379  282.400   47.803   0.0000   0.0000  282.400   47.803  ?   ?    46.185   4.4379 0.000000 4.437901 
1 1 1   18   33   23 o   14.130   2.5016   25.100   8.0411   0.0000   0.0000   25.100   8.0411  ?   ?    14.130   2.5016 0.000000 2.501598 
1 1 1   18   33   24 o   19.466   2.7029   47.500   12.089   0.0000   0.0000   47.500   12.089  ?   ?    19.466   2.7029 0.000000 2.702858 
1 1 1   18   33   25 o   8.8460   2.4515   9.9000   5.2980   0.0000   0.0000   9.9000   5.2980  ?   ?    8.8460   2.4515 0.000000 2.451488 
1 1 1   18   33   26 o   6.7075   2.2601   5.2000   4.2401   0.0000   0.0000   5.2000   4.2401  ?   ?    6.7075   2.2601 0.000000 2.260088 
1 1 1   18   33   27 o   5.2690   2.1199   1.7000   4.0438   0.0000   0.0000   1.7000   4.0438  ?   ?    5.2690   2.1199 0.000000 2.119898 
1 1 1   18   33   28 o   15.606   2.6661   31.200   9.4720   0.0000   0.0000   31.200   9.4720  ?   ?    15.606   2.6661 0.000000 2.666138 
1 1 1   18   33   29 o   21.124   2.9503   58.100   14.315   0.0000   0.0000   58.100   14.315  ?   ?    21.124   2.9503 0.000000 2.950311 
1 1 1   18   33   30 o   16.433   2.8134   35.600   10.525   0.0000   0.0000   35.600   10.525  ?   ?    16.433   2.8134 0.000000 2.813436 
1 1 1   18   33   31 o   15.844   2.7853   33.500   10.041   0.0000   0.0000   33.500   10.041  ?   ?    15.844   2.7853 0.000000 2.785325 
1 1 1   18   33   32 o   7.6421   2.3542   7.6000   4.6674   0.0000   0.0000   7.6000   4.6674  ?   ?    7.6421   2.3542 0.000000 2.354218 
1 1 1   18   33   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   33   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   33   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   33   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   34    0 o   57.217   5.0043  409.600   66.423  409.600   66.423  409.600   66.423   57.217   5.0043   57.217   5.0043 0.000000 0.000000 
1 1 1   18   34    1 o   42.959   2.6874  223.512   27.125  203.300   38.277  243.900   38.444   40.310   4.0773   44.396   3.7008 -4.086102 5.506382 
1 1 1   18   34    2 o   20.850   1.8017   52.210   8.7833   44.300   12.352   60.300   12.492   18.941   2.8500   22.278   2.4132 -3.336399 3.734445 
1 1 1   18   34    3 o   13.293   1.7470   21.412   5.3511   18.700   7.5848   24.100   7.5504   12.219   2.7007   13.982   2.3715 -1.763860 3.594119 
1 1 1   18   34    4 o   16.346   1.6126   32.102   6.1434   18.500   8.2869   48.700   9.1539   12.121   2.9280   20.099   1.9534 -7.977581 3.519831 
1 1 1   18   34    5 o   8.0867   1.8390   8.1104   3.4323   9.3000   4.6602   6.7000   5.0742   8.6475   2.2578   7.5833   2.4698 1.064156 3.346291 
1 1 1   18   34    6 o   6.8681   1.9099   5.8003   3.2099   5.6000   4.1459   6.1000   5.0718   6.9211   2.2307   7.3435   2.4719 -0.4223976 3.329556 
1 1 1   18   34    7 o   35.243   2.3521  149.963   19.462  133.800   27.327  166.600   27.725   32.802   3.5864   36.810   3.2221 -4.007587 4.821219 
1 1 1   18   34    8 o   11.762   1.8391   16.904   4.9407   9.9000   6.9646   24.000   7.0101   9.0885   2.8872   13.983   2.1954 -4.894372 3.627050 
1 1 1   18   34    9 o   21.403   1.8607   55.141   9.3104   48.800   13.057   61.700   13.280   19.859   2.8675   22.471   2.5477 -2.612055 3.835782 
1 1 1   18   34   10 o   9.3703   1.7686   10.820   3.7698   5.6000   4.8366   18.900   6.0173   7.0791   2.4137   12.382   2.1352 -5.302539 3.222579 
1 1 1   18   34   11 o   62.662   3.5714  487.277   52.626  434.700   73.959  541.200   74.899   57.273   5.5378   64.644   4.9441 -7.371628 7.423676 
1 1 1   18   34   12 o   36.280   2.5069  159.903   21.345  189.300   30.109  130.200   30.265   39.105   3.2912   31.968   4.1039 7.136406 5.260600 
1 1 1   18   34   13 o   36.166   2.4579  158.911   20.866  159.800   29.335  158.000   29.686   35.750   3.5207   35.507   3.5898 0.2423630 5.028172 
1 1 1   18   34   14 o   31.253   2.2173  118.305   16.258  109.100   22.816  127.800   23.172   29.545   3.3282   32.118   3.0936 -2.572796 4.543949 
1 1 1   18   34   15 o   37.551   2.4992  171.785   22.034  153.300   31.065  190.500   31.258   34.737   3.8520   39.038   3.4255 -4.300312 5.154768 
1 1 1   18   34   16 o   39.594   3.8505  199.200   35.545   0.0000   0.0000  199.200   35.545  ?   ?    39.594   3.8505 0.000000 3.850503 
1 1 1   18   34   17 o   34.008   3.4523  145.800   27.340   0.0000   0.0000  145.800   27.340  ?   ?    34.008   3.4523 0.000000 3.452276 
1 1 1   18   34   18 o   22.261   2.9209   62.000   14.983   0.0000   0.0000   62.000   14.983  ?   ?    22.261   2.9209 0.000000 2.920865 
1 1 1   18   34   19 o   10.191   2.7209   13.200   6.6705   0.0000   0.0000   13.200   6.6705  ?   ?    10.191   2.7209 0.000000 2.720902 
1 1 1   18   34   20 o   4.1480   1.6915   0.8000   2.6140   0.0000   0.0000   0.8000   2.6140  ?   ?    4.1480   1.6915 0.000000 1.691458 
1 1 1   18   34   21 o   30.735   3.2558  119.500   23.270   0.0000   0.0000  119.500   23.270  ?   ?    30.735   3.2558 0.000000 3.255832 
1 1 1   18   34   22 o   6.8716   2.3291   5.4000   4.5032   0.0000   0.0000   5.4000   4.5032  ?   ?    6.8716   2.3291 0.000000 2.329086 
1 1 1   18   34   23 o   8.1321   2.2676   8.3000   4.5182   0.0000   0.0000   8.3000   4.5182  ?   ?    8.1321   2.2676 0.000000 2.267559 
1 1 1   18   34   24 o   12.431   2.4901   19.600   7.0548   0.0000   0.0000   19.600   7.0548  ?   ?    12.431   2.4901 0.000000 2.490149 
1 1 1   18   34   25 o   19.280   2.7120   46.900   12.005   0.0000   0.0000   46.900   12.005  ?   ?    19.280   2.7120 0.000000 2.711992 
1 1 1   18   34   26 o   14.899   2.7506   28.500   9.3203   0.0000   0.0000   28.500   9.3203  ?   ?    14.899   2.7506 0.000000 2.750566 
1 1 1   18   34   27 o   12.355   2.8373   20.000   8.1034   0.0000   0.0000   20.000   8.1034  ?   ?    12.355   2.8373 0.000000 2.837309 
1 1 1   18   34   28 o   17.756   2.7945   41.000   11.330   0.0000   0.0000   41.000   11.330  ?   ?    17.756   2.7945 0.000000 2.794489 
1 1 1   18   34   29 o   18.143   2.8376   43.400   11.758   0.0000   0.0000   43.400   11.758  ?   ?    18.143   2.8376 0.000000 2.837603 
1 1 1   18   34   30 o   8.7773   2.4781   10.200   5.3614   0.0000   0.0000   10.200   5.3614  ?   ?    8.7773   2.4781 0.000000 2.478140 
1 1 1   18   34   31 o   7.3850   2.4666   6.9000   5.0498   0.0000   0.0000   6.9000   5.0498  ?   ?    7.3850   2.4666 0.000000 2.466584 
1 1 1   18   34   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   34   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   34   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   34   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   35    0 o   39.964   3.7916  198.100   35.041  198.100   35.041  198.100   35.041   39.964   3.7916   39.964   3.7916 0.000000 0.000000 
1 1 1   18   35    1 o   32.636   2.2037  128.416   16.884  107.300   23.775  149.900   23.981   29.351   3.4993   35.005   2.9281 -5.654097 4.562772 
1 1 1   18   35    2 f   22.386   1.9212   60.350   10.057   52.300   14.223   68.400   14.223   20.524   3.0255   23.664   2.5875 -3.140089 3.981058 
1 1 1   18   35    3 o   24.710   1.9377   73.474   11.216   66.300   15.527   81.300   16.218   23.193   2.8984   25.781   2.7043 -2.588179 3.964087 
1 1 1   18   35    4 o   12.595   1.8677   19.359   5.3865   13.400   7.2284   26.800   8.0774   10.343   2.8625   14.736   2.4042 -4.393177 3.738211 
1 1 1   18   35    5 o   13.470   1.8082   22.050   5.6065   23.800   7.9287   20.300   7.9287   13.838   2.5193   12.713   2.7232 1.125073 3.709821 
1 1 1   18   35    6 o   46.772   2.8459  266.888   31.282  227.000   44.068  307.400   44.412   42.117   4.5007   49.583   3.8227 -7.465378 5.905025 
1 1 1   18   35    7 o   29.027   2.1396  101.704   14.562   96.300   20.328  107.400   20.871   27.893   3.1409   29.515   3.0380 -1.622549 4.369759 
1 1 1   18   35    8 o   15.969   1.8416   30.886   6.8172   33.200   10.031   28.900   9.2930   16.347   2.6924   15.230   2.6819 1.116485 3.800226 
1 1 1   18   35    9 o   7.3861   1.8261   6.7817   3.1669   2.5000   4.3314   11.700   4.6422   5.7271   2.2283   9.6913   2.0900 -3.964124 3.055068 
1 1 1   18   35   10 o   16.829   1.8910   34.335   7.3845   39.900   10.198   28.200   10.707   18.007   2.4630   14.899   3.1422 3.107936 3.992483 
1 1 1   18   35   11 o   47.597   2.7687  276.991   30.984  223.000   43.478  332.700   44.165   41.533   4.5055   51.541   3.6524 -10.00866 5.800002 
1 1 1   18   35   12 o   19.823   1.9071   47.542   8.8171   53.300   12.372   41.600   12.569   20.805   2.5731   18.195   3.0320 2.610226 3.976710 
1 1 1   18   35   13 o   34.491   2.4150  144.768   19.545  142.600   27.759  146.900   27.525   33.664   3.5453   34.226   3.4529 -0.5613365 4.948881 
1 1 1   18   35   14 o   41.691   4.0284  222.400   39.164   0.0000   0.0000  222.400   39.164  ?   ?    41.691   4.0284 0.000000 4.028372 
1 1 1   18   35   15 o   37.724   3.7803  181.400   33.222   0.0000   0.0000  181.400   33.222  ?   ?    37.724   3.7803 0.000000 3.780314 
1 1 1   18   35   16 o   16.048   2.6882   32.300   9.8269   0.0000   0.0000   32.300   9.8269  ?   ?    16.048   2.6882 0.000000 2.688217 
1 1 1   18   35   17 o   19.670   2.7290   48.300   12.334   0.0000   0.0000   48.300   12.334  ?   ?    19.670   2.7290 0.000000 2.729025 
1 1 1   18   35   18 o   5.9162   2.3098   2.7000   4.6661   0.0000   0.0000   2.7000   4.6661  ?   ?    5.9162   2.3098 0.000000 2.309781 
1 1 1   18   35   19 o   7.8515   2.3645   7.6000   4.7443   0.0000   0.0000   7.6000   4.7443  ?   ?    7.8515   2.3645 0.000000 2.364526 
1 1 1   18   35   20 o   19.560   2.6726   47.800   12.021   0.0000   0.0000   47.800   12.021  ?   ?    19.560   2.6726 0.000000 2.672560 
1 1 1   18   35   21 o   38.669   3.8372  193.700   34.575   0.0000   0.0000  193.700   34.575  ?   ?    38.669   3.8372 0.000000 3.837196 
1 1 1   18   35   22 o   15.350   2.5876   29.700   9.0454   0.0000   0.0000   29.700   9.0454  ?   ?    15.350   2.5876 0.000000 2.587595 
1 1 1   18   35   23 o   24.593   2.9578   76.500   16.832   0.0000   0.0000   76.500   16.832  ?   ?    24.593   2.9578 0.000000 2.957791 
1 1 1   18   35   24 o   8.5625   2.3641   9.3000   4.9373   0.0000   0.0000   9.3000   4.9373  ?   ?    8.5625   2.3641 0.000000 2.364142 
1 1 1   18   35   25 o  ?   ?   -5.5000   0.9476   0.0000   0.0000  -5.5000   0.9476  ?   ?   ?   ?  0.000000      ? 
1 1 1   18   35   26 o   14.233   2.8470   26.500   9.2345   0.0000   0.0000   26.500   9.2345  ?   ?    14.233   2.8470 0.000000 2.846991 
1 1 1   18   35   27 o   27.553   3.2566  101.100   20.779   0.0000   0.0000  101.100   20.779  ?   ?    27.553   3.2566 0.000000 3.256594 
1 1 1   18   35   28 o   21.979   3.0087   64.300   15.205   0.0000   0.0000   64.300   15.205  ?   ?    21.979   3.0087 0.000000 3.008655 
1 1 1   18   35   29 o   10.798   2.9066   16.000   7.5755   0.0000   0.0000   16.000   7.5755  ?   ?    10.798   2.9066 0.000000 2.906646 
1 1 1   18   35   30 o   3.1957   1.5117  -3.3000   3.0197   0.0000   0.0000  -3.3000   3.0197  ?   ?    3.1957   1.5117 0.000000 1.511740 
1 1 1   18   35   31 o   3.1826   1.5231  -4.2000   3.2497   0.0000   0.0000  -4.2000   3.2497  ?   ?    3.1826   1.5231 0.000000 1.523082 
1 1 1   18   35   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   35   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   35   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   36    0 o   15.854   2.9076   32.900   9.8042   32.900   9.8042   32.900   9.8042   15.854   2.9076   15.854   2.9076 0.000000 0.000000 
1 1 1   18   36    1 f   29.882   2.2090  107.979   15.476  120.500   21.819   95.300   21.956   31.278   2.9905   27.597   3.4442 3.681793 4.561364 
1 1 1   18   36    2 o   26.628   2.0455   85.560   12.763   78.800   17.870   92.600   18.236   25.210   3.0648   27.436   2.8567 -2.225847 4.189721 
1 1 1   18   36    3 o   8.1475   1.8804   8.2587   3.5443   8.8000   4.9730   7.7000   5.0526   8.4269   2.3893   7.9708   2.4484 0.4561605 3.421052 
1 1 1   18   36    4 o   35.213   2.2782  150.027   18.842  125.300   26.350  175.900   26.954   31.597   3.5957   37.793   3.0461 -6.195717 4.712499 
1 1 1   18   36    5 o   12.807   1.7776   19.972   5.2306   27.300   7.3612   12.500   7.4337   14.921   2.1513   10.016   2.9463 4.905508 3.648165 
1 1 1   18   36    6 o   14.099   1.7106   24.088   5.5785   15.900   7.4882   34.300   8.3622   11.207   2.8292   16.752   2.1646 -5.544736 3.562242 
1 1 1   18   36    7 o   19.526   1.9981   46.221   9.0831   36.700   13.153   54.900   12.558   16.955   3.4036   21.131   2.5697 -4.175732 4.264765 
1 1 1   18   36    8 o   18.912   1.8338   43.221   8.0868   44.800   11.544   41.700   11.332   19.033   2.6396   18.333   2.6983 0.7002468 3.774722 
1 1 1   18   36    9 o   21.806   1.9117   57.449   9.7442   53.200   13.622   61.900   13.944   20.686   2.8658   22.402   2.6898 -1.716162 3.930349 
1 1 1   18   36   10 o   35.415   2.2557  152.035   18.765  123.500   26.220  182.000   26.869   31.265   3.6184   38.398   2.9868 -7.132784 4.691893 
1 1 1   18   36   11 o   20.508   1.9487   50.974   9.3236   51.700   12.979   50.200   13.403   20.396   2.7662   20.038   2.9182 0.3577309 4.020873 
1 1 1   18   36   12 o   28.591   3.1953  102.400   21.203   0.0000   0.0000  102.400   21.203  ?   ?    28.591   3.1953 0.000000 3.195305 
1 1 1   18   36   13 o   20.028   2.8194   50.100   12.965   0.0000   0.0000   50.100   12.965  ?   ?    20.028   2.8194 0.000000 2.819443 
1 1 1   18   36   14 o   32.162   3.4081  130.700   25.489   0.0000   0.0000  130.700   25.489  ?   ?    32.162   3.4081 0.000000 3.408089 
1 1 1   18   36   15 o   11.321   2.8745   16.400   7.6987   0.0000   0.0000   16.400   7.6987  ?   ?    11.321   2.8745 0.000000 2.874544 
1 1 1   18   36   16 o   29.852   3.2651  112.500   22.641   0.0000   0.0000  112.500   22.641  ?   ?    29.852   3.2651 0.000000 3.265090 
1 1 1   18   36   17 o   17.495   2.6451   38.300   10.586   0.0000   0.0000   38.300   10.586  ?   ?    17.495   2.6451 0.000000 2.645091 
1 1 1   18   36   18 o   28.194   3.1497  100.200   20.611   0.0000   0.0000  100.200   20.611  ?   ?    28.194   3.1497 0.000000 3.149688 
1 1 1   18   36   19 o   34.010   3.5051  147.800   27.746   0.0000   0.0000  147.800   27.746  ?   ?    34.010   3.5051 0.000000 3.505091 
1 1 1   18   36   20 o   14.525   2.5565   26.600   8.4482   0.0000   0.0000   26.600   8.4482  ?   ?    14.525   2.5565 0.000000 2.556513 
1 1 1   18   36   21 o   11.837   2.6123   17.900   7.1060   0.0000   0.0000   17.900   7.1060  ?   ?    11.837   2.6123 0.000000 2.612313 
1 1 1   18   36   22 o   9.3729   2.4070   11.200   5.3551   0.0000   0.0000   11.200   5.3551  ?   ?    9.3729   2.4070 0.000000 2.407006 
1 1 1   18   36   23 o   11.947   2.6437   18.400   7.2607   0.0000   0.0000   18.400   7.2607  ?   ?    11.947   2.6437 0.000000 2.643665 
1 1 1   18   36   24 o   16.422   2.5915   34.400   9.7160   0.0000   0.0000   34.400   9.7160  ?   ?    16.422   2.5915 0.000000 2.591486 
1 1 1   18   36   25 o   12.780   2.6446   21.300   7.7176   0.0000   0.0000   21.300   7.7176  ?   ?    12.780   2.6446 0.000000 2.644571 
1 1 1   18   36   26 o   24.461   3.2020   80.000   18.051   0.0000   0.0000   80.000   18.051  ?   ?    24.461   3.2020 0.000000 3.201977 
1 1 1   18   36   27 o   35.313   3.9833  179.700   32.635   0.0000   0.0000  179.700   32.635  ?   ?    35.313   3.9833 0.000000 3.983294 
1 1 1   18   36   28 o   9.2018   2.7263   11.400   6.3453   0.0000   0.0000   11.400   6.3453  ?   ?    9.2018   2.7263 0.000000 2.726283 
1 1 1   18   36   29 o   15.475   2.8117   32.500   9.8959   0.0000   0.0000   32.500   9.8959  ?   ?    15.475   2.8117 0.000000 2.811740 
1 1 1   18   36   30 o   8.4559   2.6979   9.6000   6.0762   0.0000   0.0000   9.6000   6.0762  ?   ?    8.4559   2.6979 0.000000 2.697859 
1 1 1   18   36   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   36   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   37    0 o  ?   ?  -10.0000   1.2922 -10.0000   1.2922 -10.0000   1.2922  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   18   37    1 o   19.204   1.8742   44.600   8.3909   45.500   11.866   43.700   11.866   19.164   2.6969   18.753   2.7625 0.4107704 3.860641 
1 1 1   18   37    2 o   29.568   2.2343  106.009   15.485  115.400   21.719   96.300   22.083   30.520   3.0547   27.673   3.4547 2.846050 4.611462 
1 1 1   18   37    3 o   61.561   3.7952  477.021   54.901  501.000   77.447  452.800   77.837   61.189   5.4160   57.680   5.7930 3.509109 7.930436 
1 1 1   18   37    4 o   34.792   2.4178  147.251   19.741  152.300   27.780  142.100   28.058   34.889   3.4158   33.592   3.5929 1.297298 4.957489 
1 1 1   18   37    5 o   21.140   1.9052   54.032   9.4080   49.800   13.128   58.500   13.489   19.994   2.8623   21.764   2.6814 -1.769361 3.922089 
1 1 1   18   37    6 o   21.066   1.8329   53.594   9.0270   43.500   12.499   64.600   13.051   18.627   2.9391   22.957   2.4452 -4.329967 3.823225 
1 1 1   18   37    7 o   1.8424   0.9118  -3.4043   1.4724  -7.2000   1.6378   12.600   3.3630  ?   ?    10.183   1.4386 0.000000 1.438631 
1 1 1   18   37    8 o   6.4731   1.9426   5.0921   3.2063   3.1000   4.0360   8.5000   5.2789   5.8112   2.1775   8.3074   2.4925 -2.496220 3.309662 
1 1 1   18   37    9 o   49.778   3.1463  307.931   36.793  325.800   52.061  290.100   52.006   49.987   4.4573   46.839   4.7685 3.147537 6.527352 
1 1 1   18   37   10 o   11.625   2.5864   17.100   6.9167   0.0000   0.0000   17.100   6.9167  ?   ?    11.625   2.5864 0.000000 2.586384 
1 1 1   18   37   11 o   48.197   4.5835  306.000   51.537   0.0000   0.0000  306.000   51.537  ?   ?    48.197   4.5835 0.000000 4.583480 
1 1 1   18   37   12 o   3.6602   1.7211  -4.0000   3.8089   0.0000   0.0000  -4.0000   3.8089  ?   ?    3.6602   1.7211 0.000000 1.721102 
1 1 1   18   37   13 o   17.542   2.8086   38.700   11.242   0.0000   0.0000   38.700   11.242  ?   ?    17.542   2.8086 0.000000 2.808627 
1 1 1   18   37   14 o   37.962   3.7902  185.000   33.522   0.0000   0.0000  185.000   33.522  ?   ?    37.962   3.7902 0.000000 3.790200 
1 1 1   18   37   15 o   22.370   2.8889   62.700   14.904   0.0000   0.0000   62.700   14.904  ?   ?    22.370   2.8889 0.000000 2.888887 
1 1 1   18   37   16 o   25.812   3.0861   83.900   18.438   0.0000   0.0000   83.900   18.438  ?   ?    25.812   3.0861 0.000000 3.086144 
1 1 1   18   37   17 o   34.935   3.6003  156.500   29.275   0.0000   0.0000  156.500   29.275  ?   ?    34.935   3.6003 0.000000 3.600304 
1 1 1   18   37   18 f   11.764   2.5463   17.600   6.8686   0.0000   0.0000   17.600   6.8686  ?   ?    11.764   2.5463 0.000000 2.546338 
1 1 1   18   37   19 o   20.858   2.7670   54.700   13.292   0.0000   0.0000   54.700   13.292  ?   ?    20.858   2.7670 0.000000 2.766996 
1 1 1   18   37   20 o   33.720   3.4876  146.800   27.369   0.0000   0.0000  146.800   27.369  ?   ?    33.720   3.4876 0.000000 3.487649 
1 1 1   18   37   21 o   10.687   2.5753   14.700   6.4224   0.0000   0.0000   14.700   6.4224  ?   ?    10.687   2.5753 0.000000 2.575336 
1 1 1   18   37   22 o   6.0766   2.0831   4.2000   3.6027   0.0000   0.0000   4.2000   3.6027  ?   ?    6.0766   2.0831 0.000000 2.083130 
1 1 1   18   37   23 o   6.9109   2.3073   5.7000   4.4188   0.0000   0.0000   5.7000   4.4188  ?   ?    6.9109   2.3073 0.000000 2.307337 
1 1 1   18   37   24 o   8.2635   2.7713   8.5000   6.3750   0.0000   0.0000   8.5000   6.3750  ?   ?    8.2635   2.7713 0.000000 2.771340 
1 1 1   18   37   25 o   17.493   2.9787   40.900   11.863   0.0000   0.0000   40.900   11.863  ?   ?    17.493   2.9787 0.000000 2.978675 
1 1 1   18   37   26 o   28.076   3.4031  109.000   22.101   0.0000   0.0000  109.000   22.101  ?   ?    28.076   3.4031 0.000000 3.403059 
1 1 1   18   37   27 o   12.733   2.8285   22.100   8.2832   0.0000   0.0000   22.100   8.2832  ?   ?    12.733   2.8285 0.000000 2.828504 
1 1 1   18   37   28 o   17.489   2.8614   41.600   11.408   0.0000   0.0000   41.600   11.408  ?   ?    17.489   2.8614 0.000000 2.861352 
1 1 1   18   37   29 o   7.3533   2.3725   7.0000   4.6891   0.0000   0.0000   7.0000   4.6891  ?   ?    7.3533   2.3725 0.000000 2.372534 
1 1 1   18   37   30 o   4.8356   1.9052   1.9000   3.1994   0.0000   0.0000   1.9000   3.1994  ?   ?    4.8356   1.9052 0.000000 1.905194 
1 1 1   18   37   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   38    0 o   32.735   3.4078  134.000   25.688  134.000   25.688  134.000   25.688   32.735   3.4078   32.735   3.4078 0.000000 0.000000 
1 1 1   18   38    1 o   22.099   2.0019   59.241   10.333   55.500   14.502   63.100   14.728   21.039   3.0043   22.525   2.8315 -1.486376 4.128347 
1 1 1   18   38    2 o   13.810   1.7729   23.222   5.6483   18.200   8.0055   28.200   7.9704   11.948   2.8729   15.099   2.3088 -3.151423 3.685670 
1 1 1   18   38    3 o   28.723   2.0366   99.865   13.724   82.900   18.993  118.400   19.852   25.691   3.2002   30.991   2.7410 -5.300562 4.213562 
1 1 1   18   38    4 o   34.084   2.4196  141.791   19.348  157.900   27.244  125.400   27.481   35.503   3.2870   31.312   3.7941 4.190956 5.019931 
1 1 1   18   38    5 o   32.645   2.1089  129.135   16.169   90.600   22.662  169.100   23.078   26.594   3.7096   37.109   2.6511 -10.51500 4.559554 
1 1 1   18   38    6 o   12.319   2.0052   18.725   5.6323   11.300   7.9786   26.100   7.9521   9.6210   3.0938   14.478   2.4108 -4.856910 3.922172 
1 1 1   18   38    7 o   26.655   3.0522   88.900   18.865   0.0000   0.0000   88.900   18.865  ?   ?    26.655   3.0522 0.000000 3.052234 
1 1 1   18   38    8 o   11.748   3.0071   17.700   8.3773   0.0000   0.0000   17.700   8.3773  ?   ?    11.748   3.0071 0.000000 3.007109 
1 1 1   18   38    9 o   7.7272   2.6066   6.9000   5.6399   0.0000   0.0000   6.9000   5.6399  ?   ?    7.7272   2.6066 0.000000 2.606595 
1 1 1   18   38   10 o   35.244   3.6271  158.300   29.755   0.0000   0.0000  158.300   29.755  ?   ?    35.244   3.6271 0.000000 3.627131 
1 1 1   18   38   11 o   31.145   3.3212  122.500   24.049   0.0000   0.0000  122.500   24.049  ?   ?    31.145   3.3212 0.000000 3.321204 
1 1 1   18   38   12 o   3.7528   1.6751  -1.2000   3.0223   0.0000   0.0000  -1.2000   3.0223  ?   ?    3.7528   1.6751 0.000000 1.675056 
1 1 1   18   38   13 o   12.691   2.7315   20.500   7.9433   0.0000   0.0000   20.500   7.9433  ?   ?    12.691   2.7315 0.000000 2.731476 
1 1 1   18   38   14 o   23.380   2.9149   68.600   15.743   0.0000   0.0000   68.600   15.743  ?   ?    23.380   2.9149 0.000000 2.914852 
1 1 1   18   38   15 o   11.661   2.7303   17.400   7.3856   0.0000   0.0000   17.400   7.3856  ?   ?    11.661   2.7303 0.000000 2.730345 
1 1 1   18   38   16 o   13.912   2.6935   24.600   8.5291   0.0000   0.0000   24.600   8.5291  ?   ?    13.912   2.6935 0.000000 2.693537 
1 1 1   18   38   17 o   24.671   2.9806   76.900   17.012   0.0000   0.0000   76.900   17.012  ?   ?    24.671   2.9806 0.000000 2.980631 
1 1 1   18   38   18 f   11.741   2.5316   17.600   6.8121   0.0000   0.0000   17.600   6.8121  ?   ?    11.741   2.5316 0.000000 2.531605 
1 1 1   18   38   19 o   10.023   2.5135   12.900   5.9384   0.0000   0.0000   12.900   5.9384  ?   ?    10.023   2.5135 0.000000 2.513513 
1 1 1   18   38   20 o   10.758   2.4822   14.900   6.1774   0.0000   0.0000   14.900   6.1774  ?   ?    10.758   2.4822 0.000000 2.482213 
1 1 1   18   38   21 o   5.8763   2.0723   3.8000   3.5786   0.0000   0.0000   3.8000   3.5786  ?   ?    5.8763   2.0723 0.000000 2.072323 
1 1 1   18   38   22 o   18.390   2.7138   43.800   11.431   0.0000   0.0000   43.800   11.431  ?   ?    18.390   2.7138 0.000000 2.713819 
1 1 1   18   38   23 o   7.8744   2.4539   7.9000   5.0546   0.0000   0.0000   7.9000   5.0546  ?   ?    7.8744   2.4539 0.000000 2.453905 
1 1 1   18   38   24 o   8.9125   2.7339   10.500   6.3021   0.0000   0.0000   10.500   6.3021  ?   ?    8.9125   2.7339 0.000000 2.733918 
1 1 1   18   38   25 o   13.722   2.6945   25.200   8.4188   0.0000   0.0000   25.200   8.4188  ?   ?    13.722   2.6945 0.000000 2.694455 
1 1 1   18   38   26 o   11.905   2.9109   19.600   8.1148   0.0000   0.0000   19.600   8.1148  ?   ?    11.905   2.9109 0.000000 2.910895 
1 1 1   18   38   27 o   16.560   3.0276   38.000   11.403   0.0000   0.0000   38.000   11.403  ?   ?    16.560   3.0276 0.000000 3.027633 
1 1 1   18   38   28 o   10.048   2.7118   13.900   6.5836   0.0000   0.0000   13.900   6.5836  ?   ?    10.048   2.7118 0.000000 2.711769 
1 1 1   18   38   29 o   10.713   2.5798   15.700   6.4482   0.0000   0.0000   15.700   6.4482  ?   ?    10.713   2.5798 0.000000 2.579797 
1 1 1   18   38   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39    0 o   9.4697   3.7204   14.900   7.9763   14.900   7.9763   14.900   7.9763   9.4697   3.7204   9.4697   3.7204 0.000000 0.000000 
1 1 1   18   39    1 o   13.341   1.8198   21.749   5.5832   21.600   7.8756   21.900   7.9163   13.074   2.6419   13.168   2.6379 -0.9379673E-01 3.733429 
1 1 1   18   39    2 o   7.7641   2.2563   7.4632   4.3832   15.100   6.0627  -0.9000   6.3445   10.941   2.4115   5.7237   2.4955 5.217667 3.470342 
1 1 1   18   39    3 o   29.861   2.1122  108.250   14.798   74.800   20.835  142.300   21.021   24.050   3.7946   34.008   2.6383 -9.958509 4.621681 
1 1 1   18   39    4 o   30.799   3.4027  120.000   24.334   0.0000   0.0000  120.000   24.334  ?   ?    30.799   3.4027 0.000000 3.402690 
1 1 1   18   39    5 f   11.437   2.6087   16.600   6.8894   0.0000   0.0000   16.600   6.8894  ?   ?    11.437   2.6087 0.000000 2.608681 
1 1 1   18   39    6 o   11.596   2.8740   17.200   7.8299   0.0000   0.0000   17.200   7.8299  ?   ?    11.596   2.8740 0.000000 2.873989 
1 1 1   18   39    7 o   24.957   3.1334   78.400   18.059   0.0000   0.0000   78.400   18.059  ?   ?    24.957   3.1334 0.000000 3.133412 
1 1 1   18   39    8 o   24.884   2.9693   77.500   17.103   0.0000   0.0000   77.500   17.103  ?   ?    24.884   2.9693 0.000000 2.969306 
1 1 1   18   39    9 o   23.223   2.9490   67.600   15.807   0.0000   0.0000   67.600   15.807  ?   ?    23.223   2.9490 0.000000 2.948998 
1 1 1   18   39   10 o   16.245   2.9829   33.600   11.021   0.0000   0.0000   33.600   11.021  ?   ?    16.245   2.9829 0.000000 2.982903 
1 1 1   18   39   11 o   15.777   2.7890   31.500   10.011   0.0000   0.0000   31.500   10.011  ?   ?    15.777   2.7890 0.000000 2.788998 
1 1 1   18   39   12 o   17.588   2.7830   39.000   11.174   0.0000   0.0000   39.000   11.174  ?   ?    17.588   2.7830 0.000000 2.782957 
1 1 1   18   39   13 o   22.004   2.9550   61.100   14.966   0.0000   0.0000   61.100   14.966  ?   ?    22.004   2.9550 0.000000 2.955042 
1 1 1   18   39   14 o   35.684   3.7248  164.800   30.923   0.0000   0.0000  164.800   30.923  ?   ?    35.684   3.7248 0.000000 3.724762 
1 1 1   18   39   15 o   28.708   3.2559  105.300   21.682   0.0000   0.0000  105.300   21.682  ?   ?    28.708   3.2559 0.000000 3.255907 
1 1 1   18   39   16 o   26.813   3.1638   92.000   19.646   0.0000   0.0000   92.000   19.646  ?   ?    26.813   3.1638 0.000000 3.163820 
1 1 1   18   39   17 o   22.051   2.9647   62.200   15.046   0.0000   0.0000   62.200   15.046  ?   ?    22.051   2.9647 0.000000 2.964721 
1 1 1   18   39   18 o   9.3339   2.7547   11.200   6.4886   0.0000   0.0000   11.200   6.4886  ?   ?    9.3339   2.7547 0.000000 2.754653 
1 1 1   18   39   19 o   12.530   2.7937   20.600   8.0550   0.0000   0.0000   20.600   8.0550  ?   ?    12.530   2.7937 0.000000 2.793654 
1 1 1   18   39   20 o   13.422   2.7620   23.700   8.4619   0.0000   0.0000   23.700   8.4619  ?   ?    13.422   2.7620 0.000000 2.761968 
1 1 1   18   39   21 o   26.023   3.2116   90.500   19.316   0.0000   0.0000   90.500   19.316  ?   ?    26.023   3.2116 0.000000 3.211557 
1 1 1   18   39   22 o   14.888   2.9561   29.900   10.026   0.0000   0.0000   29.900   10.026  ?   ?    14.888   2.9561 0.000000 2.956076 
1 1 1   18   39   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   39   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40    0 o   17.974   2.9236   41.800   11.424   41.800   11.424   41.800   11.424   17.974   2.9236   17.974   2.9236 0.000000 0.000000 
1 1 1   18   40    1 o   20.123   2.8644   50.800   13.227   0.0000   0.0000   50.800   13.227  ?   ?    20.123   2.8644 0.000000 2.864434 
1 1 1   18   40    2 o   44.342   4.2522  256.800   43.977   0.0000   0.0000  256.800   43.977  ?   ?    44.342   4.2522 0.000000 4.252195 
1 1 1   18   40    3 o   11.678   2.9334   17.500   8.0788   0.0000   0.0000   17.500   8.0788  ?   ?    11.678   2.9334 0.000000 2.933435 
1 1 1   18   40    4 o   30.026   3.2772  113.900   22.859   0.0000   0.0000  113.900   22.859  ?   ?    30.026   3.2772 0.000000 3.277221 
1 1 1   18   40    5 o   24.877   3.0662   77.900   17.631   0.0000   0.0000   77.900   17.631  ?   ?    24.877   3.0662 0.000000 3.066201 
1 1 1   18   40    6 o   13.572   2.7329   23.400   8.4555   0.0000   0.0000   23.400   8.4555  ?   ?    13.572   2.7329 0.000000 2.732915 
1 1 1   18   40    7 o   28.421   3.2349  102.200   21.323   0.0000   0.0000  102.200   21.323  ?   ?    28.421   3.2349 0.000000 3.234865 
1 1 1   18   40    8 o   18.683   2.8402   44.000   12.136   0.0000   0.0000   44.000   12.136  ?   ?    18.683   2.8402 0.000000 2.840239 
1 1 1   18   40    9 o   11.026   2.8353   15.600   7.4234   0.0000   0.0000   15.600   7.4234  ?   ?    11.026   2.8353 0.000000 2.835348 
1 1 1   18   40   10 o   19.011   2.7863   45.500   12.137   0.0000   0.0000   45.500   12.137  ?   ?    19.011   2.7863 0.000000 2.786278 
1 1 1   18   40   11 o   18.372   2.7758   42.600   11.667   0.0000   0.0000   42.600   11.667  ?   ?    18.372   2.7758 0.000000 2.775798 
1 1 1   18   40   12 o   22.651   2.9433   65.000   15.371   0.0000   0.0000   65.000   15.371  ?   ?    22.651   2.9433 0.000000 2.943317 
1 1 1   18   40   13 o   12.563   3.0452   20.600   8.9397   0.0000   0.0000   20.600   8.9397  ?   ?    12.563   3.0452 0.000000 3.045247 
1 1 1   18   40   14 o   13.866   2.8800   24.900   9.1220   0.0000   0.0000   24.900   9.1220  ?   ?    13.866   2.8800 0.000000 2.880026 
1 1 1   18   40   15 o   16.527   2.8548   35.200   10.739   0.0000   0.0000   35.200   10.739  ?   ?    16.527   2.8548 0.000000 2.854783 
1 1 1   18   40   16 o   36.291   3.8747  177.900   32.692   0.0000   0.0000  177.900   32.692  ?   ?    36.291   3.8747 0.000000 3.874686 
1 1 1   18   40   17 o   10.274   2.6093   13.800   6.3424   0.0000   0.0000   13.800   6.3424  ?   ?    10.274   2.6093 0.000000 2.609313 
1 1 1   18   40   18 f   23.047   3.0131   69.700   16.005   0.0000   0.0000   69.700   16.005  ?   ?    23.047   3.0131 0.000000 3.013056 
1 1 1   18   40   19 o   12.788   2.9307   22.000   8.6600   0.0000   0.0000   22.000   8.6600  ?   ?    12.788   2.9307 0.000000 2.930672 
1 1 1   18   40   20 o   19.054   2.9668   48.500   12.915   0.0000   0.0000   48.500   12.915  ?   ?    19.054   2.9668 0.000000 2.966835 
1 1 1   18   40   21 f   14.626   2.7214   28.500   9.0532   0.0000   0.0000   28.500   9.0532  ?   ?    14.626   2.7214 0.000000 2.721371 
1 1 1   18   40   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   40   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41    3 o   37.078   3.7467  177.400   32.353   0.0000   0.0000  177.400   32.353  ?   ?    37.078   3.7467 0.000000 3.746682 
1 1 1   18   41    4 o   21.557   3.1195   59.100   15.418   0.0000   0.0000   59.100   15.418  ?   ?    21.557   3.1195 0.000000 3.119489 
1 1 1   18   41    5 o   21.840   2.9301   60.200   14.730   0.0000   0.0000   60.200   14.730  ?   ?    21.840   2.9301 0.000000 2.930114 
1 1 1   18   41    6 o   5.7624   2.4179   0.9000   5.5542   0.0000   0.0000   0.9000   5.5542  ?   ?    5.7624   2.4179 0.000000 2.417930 
1 1 1   18   41    7 o   35.940   3.6997  167.600   30.949   0.0000   0.0000  167.600   30.949  ?   ?    35.940   3.6997 0.000000 3.699670 
1 1 1   18   41    8 o   39.665   4.0351  207.900   37.268   0.0000   0.0000  207.900   37.268  ?   ?    39.665   4.0351 0.000000 4.035089 
1 1 1   18   41    9 o   18.226   2.7550   42.100   11.487   0.0000   0.0000   42.100   11.487  ?   ?    18.226   2.7550 0.000000 2.755025 
1 1 1   18   41   10 o   14.102   2.8821   25.700   9.2732   0.0000   0.0000   25.700   9.2732  ?   ?    14.102   2.8821 0.000000 2.882102 
1 1 1   18   41   11 o   32.286   3.5479  136.400   26.603   0.0000   0.0000  136.400   26.603  ?   ?    32.286   3.5479 0.000000 3.547932 
1 1 1   18   41   12 o   16.233   2.8909   34.100   10.676   0.0000   0.0000   34.100   10.676  ?   ?    16.233   2.8909 0.000000 2.890920 
1 1 1   18   41   13 o   14.467   2.9217   27.400   9.6375   0.0000   0.0000   27.400   9.6375  ?   ?    14.467   2.9217 0.000000 2.921664 
1 1 1   18   41   14 o   10.469   2.9972   14.500   7.7864   0.0000   0.0000   14.500   7.7864  ?   ?    10.469   2.9972 0.000000 2.997177 
1 1 1   18   41   15 o   11.195   2.7977   16.600   7.3750   0.0000   0.0000   16.600   7.3750  ?   ?    11.195   2.7977 0.000000 2.797660 
1 1 1   18   41   16 o   11.169   2.9937   16.800   8.0562   0.0000   0.0000   16.800   8.0562  ?   ?    11.169   2.9937 0.000000 2.993662 
1 1 1   18   41   17 o   7.5455   2.5978   6.9000   5.6057   0.0000   0.0000   6.9000   5.6057  ?   ?    7.5455   2.5978 0.000000 2.597798 
1 1 1   18   41   18 o   8.6109   2.8166   9.6000   6.5967   0.0000   0.0000   9.6000   6.5967  ?   ?    8.6109   2.8166 0.000000 2.816590 
1 1 1   18   41   19 o   14.769   2.8842   29.400   9.6980   0.0000   0.0000   29.400   9.6980  ?   ?    14.769   2.8842 0.000000 2.884240 
1 1 1   18   41   20 o   8.4778   2.4823   9.5000   5.2875   0.0000   0.0000   9.5000   5.2875  ?   ?    8.4778   2.4823 0.000000 2.482333 
1 1 1   18   41   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   41   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42    7 o   10.863   2.8303   15.400   7.3332   0.0000   0.0000   15.400   7.3332  ?   ?    10.863   2.8303 0.000000 2.830284 
1 1 1   18   42    8 o   31.877   3.5394  134.100   26.192   0.0000   0.0000  134.100   26.192  ?   ?    31.877   3.5394 0.000000 3.539438 
1 1 1   18   42    9 o   11.982   2.8894   18.900   8.0800   0.0000   0.0000   18.900   8.0800  ?   ?    11.982   2.8894 0.000000 2.889394 
1 1 1   18   42   10 o   16.068   2.9815   33.900   10.896   0.0000   0.0000   33.900   10.896  ?   ?    16.068   2.9815 0.000000 2.981534 
1 1 1   18   42   11 o   33.730   3.6688  153.800   28.750   0.0000   0.0000  153.800   28.750  ?   ?    33.730   3.6688 0.000000 3.668788 
1 1 1   18   42   12 o   10.623   2.7327   14.900   6.8940   0.0000   0.0000   14.900   6.8940  ?   ?    10.623   2.7327 0.000000 2.732700 
1 1 1   18   42   13 o   25.638   3.1356   87.200   18.587   0.0000   0.0000   87.200   18.587  ?   ?    25.638   3.1356 0.000000 3.135601 
1 1 1   18   42   14 o   15.639   2.9592   32.700   10.528   0.0000   0.0000   32.700   10.528  ?   ?    15.639   2.9592 0.000000 2.959155 
1 1 1   18   42   15 o   16.487   3.0553   36.700   11.457   0.0000   0.0000   36.700   11.457  ?   ?    16.487   3.0553 0.000000 3.055268 
1 1 1   18   42   16 o   20.045   2.8348   53.200   13.044   0.0000   0.0000   53.200   13.044  ?   ?    20.045   2.8348 0.000000 2.834799 
1 1 1   18   42   17 o   7.9072   2.4333   8.1000   4.9877   0.0000   0.0000   8.1000   4.9877  ?   ?    7.9072   2.4333 0.000000 2.433266 
1 1 1   18   42   18 o   8.3560   2.5190   9.2000   5.3826   0.0000   0.0000   9.2000   5.3826  ?   ?    8.3560   2.5190 0.000000 2.519047 
1 1 1   18   42   19 o   11.354   2.8383   17.700   7.5892   0.0000   0.0000   17.700   7.5892  ?   ?    11.354   2.8383 0.000000 2.838274 
1 1 1   18   42   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   42   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   43   12 o   17.195   3.0621   39.900   11.977   0.0000   0.0000   39.900   11.977  ?   ?    17.195   3.0621 0.000000 3.062076 
1 1 1   18   43   13 o   21.796   3.0641   63.800   15.334   0.0000   0.0000   63.800   15.334  ?   ?    21.796   3.0641 0.000000 3.064057 
1 1 1   18   43   14 o   12.241   3.0139   20.600   8.6538   0.0000   0.0000   20.600   8.6538  ?   ?    12.241   3.0139 0.000000 3.013947 
1 1 1   18   43   15 o   16.751   2.9908   38.100   11.397   0.0000   0.0000   38.100   11.397  ?   ?    16.751   2.9908 0.000000 2.990834 
1 1 1   18   43   16 o   20.178   3.0661   55.500   14.150   0.0000   0.0000   55.500   14.150  ?   ?    20.178   3.0661 0.000000 3.066150 
1 1 1   18   43   17 o   8.5643   2.7761   9.7000   6.4143   0.0000   0.0000   9.7000   6.4143  ?   ?    8.5643   2.7761 0.000000 2.776074 
1 1 1   18   43   18 o   10.637   2.9896   15.700   7.8213   0.0000   0.0000   15.700   7.8213  ?   ?    10.637   2.9896 0.000000 2.989633 
1 1 1   18   43   19 o   3.9864   1.7423  -0.4000   3.1092   0.0000   0.0000  -0.4000   3.1092  ?   ?    3.9864   1.7423 0.000000 1.742277 
1 1 1   18   43   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   44   17 o   7.0366   2.7017   5.2000   6.3039   0.0000   0.0000   5.2000   6.3039  ?   ?    7.0366   2.7017 0.000000 2.701723 
1 1 1   18   44   18 o   13.140   3.0799   24.300   9.3903   0.0000   0.0000   24.300   9.3903  ?   ?    13.140   3.0799 0.000000 3.079924 
1 1 1   18   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   45   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   46   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   47    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   47    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   18   47    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0    1 o   17.052   1.7060   35.368   6.7118   35.368   6.7118   35.368   6.7118   17.052   1.7060   17.052   1.7060 0.000000 0.000000 
1 1 1   19    0    2 o   3.2373   1.7295   1.7690   1.8035   1.7690   1.8035   1.7690   1.8035   3.2373   1.7295   3.2373   1.7295 0.000000 0.000000 
1 1 1   19    0    3 o   39.320   2.5321  185.021   23.286  185.021   23.286  185.021   23.286   39.320   2.5321   39.320   2.5321 0.000000 0.000000 
1 1 1   19    0    4 o   75.986   4.2976  690.697   76.548  690.697   76.548  690.697   76.548   75.986   4.2976   75.986   4.2976 0.000000 0.000000 
1 1 1   19    0    5 o   27.204   2.0860   88.986   13.219   88.986   13.219   88.986   13.219   27.204   2.0860   27.204   2.0860 0.000000 0.000000 
1 1 1   19    0    6 o   61.214   3.4167  447.617   49.036  447.617   49.036  447.617   49.036   61.214   3.4167   61.214   3.4167 0.000000 0.000000 
1 1 1   19    0    7 o   98.258   5.4894  1158.08  126.456  1158.08  126.456  1158.08  126.456   98.258   5.4894   98.258   5.4894 0.000000 0.000000 
1 1 1   19    0    8 o  106.779   6.0827  1370.78  152.234  1370.78  152.234  1370.78  152.234  106.779   6.0827  106.779   6.0827 0.000000 0.000000 
1 1 1   19    0    9 o  107.977   5.8928  1400.55  149.228  1400.55  149.228  1400.55  149.228  107.977   5.8928  107.977   5.8928 0.000000 0.000000 
1 1 1   19    0   10 o   5.4048   2.0473   4.6698   2.4519   4.6698   2.4519   4.6698   2.4519   5.4048   2.0473   5.4048   2.0473 0.000000 0.000000 
1 1 1   19    0   11 o   74.747   4.2848  669.540   75.061  669.540   75.061  669.540   75.061   74.747   4.2848   74.747   4.2848 0.000000 0.000000 
1 1 1   19    0   12 o   97.538   5.4735  1143.95  125.160  1143.95  125.160  1143.95  125.160   97.538   5.4735   97.538   5.4735 0.000000 0.000000 
1 1 1   19    0   13 o   79.799   4.5236  764.059   84.614  764.059   84.614  764.059   84.614   79.799   4.5236   79.799   4.5236 0.000000 0.000000 
1 1 1   19    0   14 o   82.699   4.6501  821.207   90.151  821.207   90.151  821.207   90.151   82.699   4.6501   82.699   4.6501 0.000000 0.000000 
1 1 1   19    0   15 o   48.931   2.9805  286.753   34.145  286.753   34.145  286.753   34.145   48.931   2.9805   48.931   2.9805 0.000000 0.000000 
1 1 1   19    0   16 o   16.208   1.7310   32.099   6.4344   32.099   6.4344   32.099   6.4344   16.208   1.7310   16.208   1.7310 0.000000 0.000000 
1 1 1   19    0   17 o   37.847   2.4599  171.709   21.772  171.709   21.772  171.709   21.772   37.847   2.4599   37.847   2.4599 0.000000 0.000000 
1 1 1   19    0   18 o   50.731   2.9904  308.308   35.538  308.308   35.538  308.308   35.538   50.731   2.9904   50.731   2.9904 0.000000 0.000000 
1 1 1   19    0   19 o   39.592   2.5130  187.891   23.277  187.891   23.277  187.891   23.277   39.592   2.5130   39.592   2.5130 0.000000 0.000000 
1 1 1   19    0   20 o   51.953   3.0699  323.615   37.360  323.615   37.360  323.615   37.360   51.953   3.0699   51.953   3.0699 0.000000 0.000000 
1 1 1   19    0   21 f   11.113   1.6771   15.566   4.1050   15.566   4.1050   15.566   4.1050   11.113   1.6771   11.113   1.6771 0.000000 0.000000 
1 1 1   19    0   22 o   3.4015   1.8333   1.9405   2.0435   1.9405   2.0435   1.9405   2.0435   3.4015   1.8333   3.4015   1.8333 0.000000 0.000000 
1 1 1   19    0   23 o   31.938   2.2348  122.584   16.665  122.584   16.665  122.584   16.665   31.938   2.2348   31.938   2.2348 0.000000 0.000000 
1 1 1   19    0   24 o   54.010   3.2049  350.582   40.545  350.582   40.545  350.582   40.545   54.010   3.2049   54.010   3.2049 0.000000 0.000000 
1 1 1   19    0   25 o   18.000   1.7245   39.383   7.1752   39.383   7.1752   39.383   7.1752   18.000   1.7245   18.000   1.7245 0.000000 0.000000 
1 1 1   19    0   26 o   8.2593   3.0234   10.800   5.4412   10.800   5.4412   10.800   5.4412   8.2593   3.0234   8.2593   3.0234 0.000000 0.000000 
1 1 1   19    0   27 o   14.391   2.7951   27.200   8.4691   27.200   8.4691   27.200   8.4691   14.391   2.7951   14.391   2.7951 0.000000 0.000000 
1 1 1   19    0   28 o   57.685   5.0016  412.900   66.950  412.900   66.950  412.900   66.950   57.685   5.0016   57.685   5.0016 0.000000 0.000000 
1 1 1   19    0   29 f   99.838   8.6668  1320.10  200.781  1320.10  200.781  1320.10  200.781   99.838   8.6668   99.838   8.6668 0.000000 0.000000 
1 1 1   19    0   30 o   37.283   3.6204  171.800   31.183  171.800   31.183  171.800   31.183   37.283   3.6204   37.283   3.6204 0.000000 0.000000 
1 1 1   19    0   31 o   43.257   4.0172  232.300   40.221  232.300   40.221  232.300   40.221   43.257   4.0172   43.257   4.0172 0.000000 0.000000 
1 1 1   19    0   32 o   22.584   2.8755   63.900   14.656   63.900   14.656   63.900   14.656   22.584   2.8755   22.584   2.8755 0.000000 0.000000 
1 1 1   19    0   33 o   32.994   3.3686  135.100   25.618  135.100   25.618  135.100   25.618   32.994   3.3686   32.994   3.3686 0.000000 0.000000 
1 1 1   19    0   34 o   51.595   4.6507  334.800   55.603  334.800   55.603  334.800   55.603   51.595   4.6507   51.595   4.6507 0.000000 0.000000 
1 1 1   19    0   35 o  ?   ?   -9.5000   0.8040  -9.5000   0.8040  -9.5000   0.8040  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   19    0   36 o   1.8225   1.2755  -2.1000   2.0481  -2.1000   2.0481  -2.1000   2.0481   1.8225   1.2755   1.8225   1.2755 0.000000 0.000000 
1 1 1   19    0   37 o   27.718   3.2159   96.600   20.310   96.600   20.310   96.600   20.310   27.718   3.2159   27.718   3.2159 0.000000 0.000000 
1 1 1   19    0   38 o   33.041   3.4737  137.500   26.417  137.500   26.417  137.500   26.417   33.041   3.4737   33.041   3.4737 0.000000 0.000000 
1 1 1   19    0   39 o   15.536   3.4821   33.300   11.153   33.300   11.153   33.300   11.153   15.536   3.4821   15.536   3.4821 0.000000 0.000000 
1 1 1   19    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    0   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1    0 o   32.959   3.2900  132.300   25.020  132.300   25.020  132.300   25.020   32.959   3.2900   32.959   3.2900 0.000000 0.000000 
1 1 1   19    1    1 o   32.568   2.2268  126.050   17.023  123.500   24.074  128.600   24.074   32.120   3.2172   32.792   3.1476 -0.6721153 4.500902 
1 1 1   19    1    2 o   44.833   2.7363  238.883   28.830  264.400   40.786  213.400   40.758   47.055   3.7005   42.176   4.1461 4.879532 5.557305 
1 1 1   19    1    3 o   52.824   3.1286  331.854   38.851  340.400   54.930  323.300   54.959   53.316   4.4024   51.929   4.5272 1.386898 6.314838 
1 1 1   19    1    4 o   55.966   3.2778  372.652   43.130  367.400   61.004  377.900   60.984   55.344   4.7129   56.148   4.6412 -0.8037834 6.614545 
1 1 1   19    1    5 o  159.099   8.7510  3090.67  327.504  3281.20  463.070  2900.00  463.250  161.450   12.237  151.042   13.119 10.40823 17.94029 
1 1 1   19    1    6 o   19.903   1.8000   47.215   8.3678   51.700   11.814   42.700   11.853   20.755   2.4584   18.790   2.7532 1.964960 3.691039 
1 1 1   19    1    7 f   60.452   3.4932  435.255   49.653  441.000   70.190  429.500   70.249   60.589   4.9491   59.773   5.0236 0.8163071 7.051989 
1 1 1   19    1    8 o   46.757   2.8444  260.052   31.256  260.700   44.141  259.400   44.264   46.638   4.0483   46.517   4.0707 0.1209145 5.740991 
1 1 1   19    1    9 o   87.626   4.9519  920.471  102.044  1026.80  144.229  813.900  144.393   92.009   6.6840   81.543   7.5859 10.46640 10.11049 
1 1 1   19    1   10 o   92.198   5.2003  1021.23  112.755  1118.00  159.355  924.200  159.563   95.787   7.0957   86.726   7.8774 9.060722 10.60202 
1 1 1   19    1   11 o  124.659   6.9271  1890.29  203.105  2003.50  287.115  1776.90  287.353  126.616   9.6762  118.732   10.353 7.883514 14.17067 
1 1 1   19    1   12 o   7.1908   1.5875   6.3551   2.6235   2.6000   3.6431   10.400   3.7811   5.4945   2.0668   9.2180   1.8017 -3.723512 2.741856 
1 1 1   19    1   13 o  131.525   7.3245  2120.57  226.580  2241.70  320.342  1999.30  320.522  132.911   10.287  124.886   10.980 8.025597 15.04628 
1 1 1   19    1   14 o   31.359   2.1413  117.019   15.762  129.800   22.317  104.300   22.263   32.933   2.8993   29.435   3.2576 3.498014 4.360933 
1 1 1   19    1   15 o   41.368   2.6367  203.928   25.622  223.600   36.210  184.200   36.260   43.163   3.5850   39.068   3.9864 4.095791 5.361305 
1 1 1   19    1   16 o   19.088   1.7509   43.486   7.8036   36.800   11.024   50.200   11.048   17.387   2.7787   20.443   2.3302 -3.056503 3.626440 
1 1 1   19    1   17 f  117.945   6.6004  1711.93  183.090  1762.90  258.860  1660.90  258.996  117.273   9.4274  113.497   9.7587 3.776215 13.56862 
1 1 1   19    1   18 o   75.835   4.3040  693.267   76.755  732.600  108.525  653.900  108.571   77.230   5.9979   72.754   6.3843 4.476761 8.759793 
1 1 1   19    1   19 o   13.314   1.6196   21.292   4.9867   23.600   7.0653   19.000   7.0394   13.933   2.2222   12.429   2.4853 1.503448 3.333889 
1 1 1   19    1   20 o   41.608   2.6341  206.763   25.747  216.000   36.386  197.500   36.438   42.307   3.6788   40.395   3.8674 1.912724 5.337570 
1 1 1   19    1   21 o   88.989   4.9594  964.426  103.799  1033.50  146.873  895.500  146.716   90.862   6.8968   84.142   7.4616 6.719933 10.16077 
1 1 1   19    1   22 o   66.723   3.8575  537.071   60.518  586.300   85.568  487.800   85.604   69.093   5.2847   62.715   5.8478 6.377960 7.881924 
1 1 1   19    1   23 o   88.111   4.9504  949.019  102.581  1092.10  145.087  806.000  145.056   93.306   6.6281   79.152   7.8650 14.15405 10.28544 
1 1 1   19    1   24 o   38.359   2.4043  175.870   21.668  200.500   30.693  151.400   30.593   40.781   3.2133   35.267   3.7302 5.513584 4.923387 
1 1 1   19    1   25 o   48.584   2.8312  283.146   32.340  315.000   45.847  251.600   45.625   50.926   3.8408   45.311   4.3164 5.614391 5.777786 
1 1 1   19    1   26 o   41.325   2.4817  204.603   24.105  235.200   34.144  174.200   34.035   44.079   3.3044   37.716   3.8768 6.363663 5.093963 
1 1 1   19    1   27 o   53.718   4.6779  358.500   58.746  358.500   58.746   0.0000   0.0000   53.718   4.6779  ?   ?  0.000000 4.677916 
1 1 1   19    1   28 o   33.799   3.3137  139.600   26.107  139.600   26.107   0.0000   0.0000   33.799   3.3137  ?   ?  0.000000 3.313717 
1 1 1   19    1   29 o   28.795   3.0434  101.400   20.380  101.400   20.380   0.0000   0.0000   28.795   3.0434  ?   ?  0.000000 3.043381 
1 1 1   19    1   30 o   12.869   2.3969   20.500   7.0156   20.500   7.0156   0.0000   0.0000   12.869   2.3969  ?   ?  0.000000 2.396904 
1 1 1   19    1   31 o   37.889   3.6232  178.300   32.021  178.300   32.021   0.0000   0.0000   37.889   3.6232  ?   ?  0.000000 3.623204 
1 1 1   19    1   32 o   8.6407   2.2862   9.3000   4.7370   9.3000   4.7370   0.0000   0.0000   8.6407   2.2862  ?   ?  0.000000 2.286193 
1 1 1   19    1   33 o   52.181   4.7254  350.400   57.593  350.400   57.593   0.0000   0.0000   52.181   4.7254  ?   ?  0.000000 4.725361 
1 1 1   19    1   34 o   26.431   2.9330   86.200   17.997   86.200   17.997   0.0000   0.0000   26.431   2.9330  ?   ?  0.000000 2.933018 
1 1 1   19    1   35 o   23.135   2.7971   66.100   14.971   66.100   14.971   0.0000   0.0000   23.135   2.7971  ?   ?  0.000000 2.797114 
1 1 1   19    1   36 o   10.040   2.4479   12.700   5.7509   12.700   5.7509   0.0000   0.0000   10.040   2.4479  ?   ?  0.000000 2.447889 
1 1 1   19    1   37 o   10.745   2.4767   14.600   6.1550   14.600   6.1550   0.0000   0.0000   10.745   2.4767  ?   ?  0.000000 2.476698 
1 1 1   19    1   38 o   16.283   2.5581   33.200   9.5114   33.200   9.5114   0.0000   0.0000   16.283   2.5581  ?   ?  0.000000 2.558111 
1 1 1   19    1   39 o   33.097   3.4207  140.400   26.348  140.400   26.348   0.0000   0.0000   33.097   3.4207  ?   ?  0.000000 3.420667 
1 1 1   19    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    1   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2    0 o  158.157   12.546  3095.20  461.755  3095.20  461.755  3095.20  461.755  158.157   12.546  158.157   12.546 0.000000 0.000000 
1 1 1   19    2    1 o   61.424   3.5801  449.158   51.703  502.100   73.079  396.100   73.159   64.750   4.8140   57.341   5.4694 7.409718 7.286176 
1 1 1   19    2    2 o   23.605   1.9070   66.310   10.539   57.900   14.913   74.700   14.895   21.911   2.9579   24.992   2.5602 -3.080332 3.912014 
1 1 1   19    2    3 o  120.782   6.4158  1754.98  182.329  1967.30  258.017  1543.20  257.688  126.956   8.6583  111.824   9.8597 15.13168 13.12177 
1 1 1   19    2    4 o   65.510   3.7324  511.151   57.498  501.900   81.318  520.400   81.310   64.609   5.3789   65.819   5.2759 -1.209457 7.534450 
1 1 1   19    2    5 o   93.383   4.8594  1042.40  106.785  1257.40  151.194  828.400  150.841  102.177   6.2971   82.373   7.8498 19.80367 10.06347 
1 1 1   19    2    6 o  151.218   8.0350  2782.27  285.885  3209.80  404.529  2355.70  404.076  160.632   10.727  136.105   12.720 24.52670 16.63916 
1 1 1   19    2    7 o  156.378   8.5705  2991.32  315.273  3318.00  445.882  2664.70  445.846  162.325   11.711  144.145   13.247 18.18002 17.68124 
1 1 1   19    2    8 o  139.395   7.5882  2363.70  248.836  2646.90  351.966  2080.70  351.847  145.773   10.291  128.150   11.758 17.62273 15.62569 
1 1 1   19    2    9 o   69.196   3.8823  571.359   63.179  640.600   89.376  502.200   89.322   72.981   5.2207   64.389   5.9417 8.591301 7.909435 
1 1 1   19    2   10 o   59.961   3.4646  428.646   48.846  465.100   69.083  392.200   69.075   62.213   4.7381   56.997   5.1890 5.216396 7.026781 
1 1 1   19    2   11 o   88.303   4.9075  936.157  101.925  974.600  144.130  897.700  144.156   89.400   6.8802   85.653   7.1939 3.746765 9.954427 
1 1 1   19    2   12 o   47.877   2.8382  272.926   31.944  313.600   45.218  232.400   45.135   51.178   3.7681   43.890   4.4149 7.288765 5.804325 
1 1 1   19    2   13 f   67.423   3.8379  543.693   60.850  537.500   86.010  549.900   86.101   66.584   5.5201   67.372   5.4591 -0.7875900 7.763593 
1 1 1   19    2   14 f   45.703   2.6883  248.740   28.885  294.300   40.898  203.400   40.800   49.586   3.5157   41.026   4.2743 8.560818 5.534390 
1 1 1   19    2   15 o   88.751   4.9845  950.491  104.039  1070.60  147.108  830.300  147.158   93.409   6.7142   81.702   7.7191 11.70654 10.23057 
1 1 1   19    2   16 o  112.521   6.3674  1549.75  168.491  1706.90  238.171  1392.30  238.395  116.330   8.7341  104.147   9.8092 12.18305 13.13409 
1 1 1   19    2   17 o   47.064   2.8717  264.457   31.762  271.800   44.896  257.100   44.940   47.461   4.0445   46.119   4.1718 1.342278 5.810493 
1 1 1   19    2   18 o   55.270   3.2824  365.679   42.646  402.200   60.287  329.100   60.335   57.648   4.4636   51.953   4.9790 5.694294 6.686856 
1 1 1   19    2   19 o   43.350   2.6660  224.326   27.158  255.900   38.422  192.800   38.392   46.124   3.5551   39.857   4.1396 6.267708 5.456645 
1 1 1   19    2   20 o   7.7779   1.6558   7.4370   2.9478   4.1000   4.1924   10.700   4.1457   6.3241   2.2416   9.3282   1.9451 -3.004037 2.967883 
1 1 1   19    2   21 o   29.330   2.0850  102.589   14.347  114.700   20.299   90.500   20.280   30.902   2.8125   27.343   3.2015 3.559002 4.261433 
1 1 1   19    2   22 o   67.873   3.8646  555.769   61.683  620.900   87.253  490.700   87.212   71.137   5.2310   62.848   5.9473 8.288841 7.920431 
1 1 1   19    2   23 o   49.979   2.9727  299.407   34.926  317.700   49.451  281.200   49.334   51.140   4.1302   48.002   4.4014 3.138874 6.035791 
1 1 1   19    2   24 o   77.706   4.2729  734.114   78.103  827.400  110.594  641.300  110.315   81.555   5.7802   71.175   6.6403 10.37967 8.803632 
1 1 1   19    2   25 o   47.645   2.8878  272.538   32.337  284.200   45.754  260.900   45.708   48.278   4.0509   46.173   4.2395 2.104568 5.863757 
1 1 1   19    2   26 o   31.662   2.1576  119.917   16.035  128.300   22.722  111.600   22.632   32.568   2.9880   30.298   3.2123 2.269993 4.387141 
1 1 1   19    2   27 o   27.484   2.9560   91.800   18.883   91.800   18.883   0.0000   0.0000   27.484   2.9560  ?   ?  0.000000 2.956032 
1 1 1   19    2   28 o   32.212   3.2232  126.700   24.187  126.700   24.187   0.0000   0.0000   32.212   3.2232  ?   ?  0.000000 3.223156 
1 1 1   19    2   29 o   28.922   3.0433  102.300   20.472  102.300   20.472   0.0000   0.0000   28.922   3.0433  ?   ?  0.000000 3.043281 
1 1 1   19    2   30 o   11.899   2.4138   17.600   6.5504   17.600   6.5504   0.0000   0.0000   11.899   2.4138  ?   ?  0.000000 2.413820 
1 1 1   19    2   31 f   54.772   4.9000  384.900   62.706  384.900   62.706   0.0000   0.0000   54.772   4.9000  ?   ?  0.000000 4.900002 
1 1 1   19    2   32 o   47.850   4.3749  290.800   48.886  290.800   48.886   0.0000   0.0000   47.850   4.3749  ?   ?  0.000000 4.374879 
1 1 1   19    2   33 o   23.053   2.7794   65.400   14.825   65.400   14.825   0.0000   0.0000   23.053   2.7794  ?   ?  0.000000 2.779366 
1 1 1   19    2   34 o   32.161   3.2743  128.400   24.519  128.400   24.519   0.0000   0.0000   32.161   3.2743  ?   ?  0.000000 3.274346 
1 1 1   19    2   35 o   14.994   2.4931   27.900   8.5174   27.900   8.5174   0.0000   0.0000   14.994   2.4931  ?   ?  0.000000 2.493137 
1 1 1   19    2   36 o   38.227   3.7044  184.800   33.020  184.800   33.020   0.0000   0.0000   38.227   3.7044  ?   ?  0.000000 3.704449 
1 1 1   19    2   37 o   13.696   2.4794   23.500   7.7238   23.500   7.7238   0.0000   0.0000   13.696   2.4794  ?   ?  0.000000 2.479418 
1 1 1   19    2   38 o   25.990   2.9606   84.800   17.845   84.800   17.845   0.0000   0.0000   25.990   2.9606  ?   ?  0.000000 2.960634 
1 1 1   19    2   39 o   5.2226   2.0025   2.3000   3.4603   2.3000   3.4603   0.0000   0.0000   5.2226   2.0025  ?   ?  0.000000 2.002520 
1 1 1   19    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    2   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3    0 o   86.644   6.9722  911.600  140.525  911.600  140.525  911.600  140.525   86.644   6.9722   86.644   6.9722 0.000000 0.000000 
1 1 1   19    3    1 o  106.014   5.8351  1348.49  145.511  1449.10  205.737  1247.80  205.829  109.144   8.0393  100.974   8.7179 8.169273 11.85888 
1 1 1   19    3    2 o   40.787   2.5655  197.694   24.583  200.300   34.804  195.100   34.728   40.923   3.6396   40.378   3.6828 0.5449753 5.177828 
1 1 1   19    3    3 o  136.042   7.3948  2238.99  236.662  2191.90  334.472  2286.20  334.909  132.843   10.755  135.826   10.524 -2.983231 15.04735 
1 1 1   19    3    4 o  115.721   6.2991  1611.27  171.480  1557.40  242.435  1665.20  242.584  112.582   9.1998  116.589   8.8781 -4.006676 12.78501 
1 1 1   19    3    5 o  143.219   7.8128  2491.13  263.224  2536.20  372.336  2446.10  372.173  142.490   11.155  139.771   11.375 2.718369 15.93182 
1 1 1   19    3    6 o  131.918   7.2287  2107.78  224.319  2153.20  317.140  2062.30  317.331  131.668   10.282  128.687   10.535 2.981018 14.72084 
1 1 1   19    3    7 o   22.504   1.8597   60.295   9.7938   59.000   13.826   61.600   13.875   22.155   2.6986   22.653   2.6436 -0.4978237 3.777727 
1 1 1   19    3    8 o  120.360   6.2748  1747.60  177.720  2076.50  251.544  1419.80  251.125  130.260   8.2200  106.645   10.092 23.61525 13.01613 
1 1 1   19    3    9 o   27.868   2.0335   92.378   13.290  101.400   18.817   83.400   18.772   29.118   2.7700   26.337   3.0764 2.781023 4.139720 
1 1 1   19    3   10 o   88.775   4.9022  945.522  102.366  1037.00  144.790  854.100  144.745   92.368   6.6834   83.501   7.4182 8.867226 9.984893 
1 1 1   19    3   11 o   50.180   3.1019  300.099   36.576  330.600   51.601  269.300   51.852   52.482   4.1989   47.227   4.7125 5.255627 6.311759 
1 1 1   19    3   12 o   80.747   4.5383  782.127   86.182  840.000  121.850  724.200  121.908   83.116   6.2543   76.944   6.7788 6.171318 9.223233 
1 1 1   19    3   13 o  119.831   6.7252  1752.35  189.529  1828.10  267.683  1676.20  268.386  120.504   9.4838  114.980   9.9841 5.524376 13.77039 
1 1 1   19    3   14 o   47.768   2.8768  271.982   32.298  302.500   45.690  241.500   45.663   50.199   3.8848   44.712   4.3812 5.486298 5.855450 
1 1 1   19    3   15 o   19.035   1.7504   43.242   7.7794   49.600   11.009   36.900   10.995   20.321   2.3368   17.416   2.7658 2.904831 3.620862 
1 1 1   19    3   16 o   29.334   2.0832  102.479   14.336  114.900   20.292   90.100   20.258   30.968   2.8053   27.325   3.2002 3.643440 4.255696 
1 1 1   19    3   17 o   37.412   2.4415  166.857   21.451  171.800   30.314  161.900   30.358   37.790   3.4346   36.651   3.5522 1.138222 4.941139 
1 1 1   19    3   18 o   71.461   4.0467  614.428   68.005  655.100   96.200  573.800   96.148   73.177   5.6099   68.276   6.0255 4.901115 8.232718 
1 1 1   19    3   19 o   81.627   4.6172  806.471   88.633  853.600  125.317  759.300  125.373   83.040   6.4413   78.044   6.8732 4.995361 9.419703 
1 1 1   19    3   20 o   29.131   2.0874  101.187   14.264  108.800   20.189   93.600   20.155   30.085   2.8770   27.838   3.1197 2.246933 4.243770 
1 1 1   19    3   21 o   76.982   4.3398  717.270   78.569  805.000  111.132  629.600  111.094   80.770   5.8668   70.906   6.7151 9.863556 8.916961 
1 1 1   19    3   22 o  100.455   5.6820  1243.28  134.230  1344.70  189.806  1141.80  189.853  102.536   7.9000   93.712   8.6779 8.823967 11.73530 
1 1 1   19    3   23 o   42.354   2.6312  214.574   26.186  230.300   37.063  198.900   37.002   43.637   3.6298   40.449   3.9233 3.188072 5.344882 
1 1 1   19    3   24 o   63.557   3.6481  487.849   54.522  531.400   77.150  444.400   77.060   65.705   5.0103   59.794   5.5200 5.911137 7.454802 
1 1 1   19    3   25 o   26.354   1.9938   82.990   12.316   92.200   17.427   73.800   17.408   27.655   2.7033   24.636   3.0581 3.018791 4.081599 
1 1 1   19    3   26 o   13.351   1.6255   21.459   5.0191   24.400   7.1489   18.600   7.0483   14.147   2.2126   12.260   2.5188 1.886283 3.352608 
1 1 1   19    3   27 o   27.706   1.9266   91.780   12.526  103.600   17.807   80.200   17.625   29.302   2.6006   25.664   2.9627 3.637861 3.942144 
1 1 1   19    3   28 o   27.931   2.9889   95.100   19.407   95.100   19.407   0.0000   0.0000   27.931   2.9889  ?   ?  0.000000 2.988887 
1 1 1   19    3   29 o   33.830   3.3361  140.500   26.303  140.500   26.303   0.0000   0.0000   33.830   3.3361  ?   ?  0.000000 3.336144 
1 1 1   19    3   30 o   29.037   3.0597  103.400   20.664  103.400   20.664   0.0000   0.0000   29.037   3.0597  ?   ?  0.000000 3.059749 
1 1 1   19    3   31 o   11.678   2.4224   17.000   6.4612   17.000   6.4612   0.0000   0.0000   11.678   2.4224  ?   ?  0.000000 2.422444 
1 1 1   19    3   32 o   52.566   4.7493  354.800   58.314  354.800   58.314   0.0000   0.0000   52.566   4.7493  ?   ?  0.000000 4.749256 
1 1 1   19    3   33 o   17.907   2.5543   39.500   10.494   39.500   10.494   0.0000   0.0000   17.907   2.5543  ?   ?  0.000000 2.554278 
1 1 1   19    3   34 o   14.474   2.4899   26.000   8.2031   26.000   8.2031   0.0000   0.0000   14.474   2.4899  ?   ?  0.000000 2.489912 
1 1 1   19    3   35 o   19.926   2.6401   49.000   12.116   49.000   12.116   0.0000   0.0000   19.926   2.6401  ?   ?  0.000000 2.640056 
1 1 1   19    3   36 o   31.509   3.2565  124.100   23.880  124.100   23.880   0.0000   0.0000   31.509   3.2565  ?   ?  0.000000 3.256511 
1 1 1   19    3   37 o   19.270   2.6452   46.200   11.719   46.200   11.719   0.0000   0.0000   19.270   2.6452  ?   ?  0.000000 2.645206 
1 1 1   19    3   38 o   6.4015   2.1953   4.6000   4.0013   4.6000   4.0013   0.0000   0.0000   6.4015   2.1953  ?   ?  0.000000 2.195307 
1 1 1   19    3   39 o   34.306   3.5174  151.700   28.091  151.700   28.091   0.0000   0.0000   34.306   3.5174  ?   ?  0.000000 3.517394 
1 1 1   19    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    3   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4    0 o  191.466   15.379  4609.10  684.984  4609.10  684.984  4609.10  684.984  191.466   15.379  191.466   15.379 0.000000 0.000000 
1 1 1   19    4    1 o   73.256   4.2267  640.203   72.805  776.100  102.904  504.000  103.020   80.422   5.4508   64.385   6.8827 16.03773 8.779675 
1 1 1   19    4    2 o   26.145   1.9838   81.299   12.157   81.500   17.222   81.100   17.162   26.078   2.8428   26.013   2.8400 0.6437683E-01 4.018381 
1 1 1   19    4    3 o  102.612   5.6193  1262.89  135.641  1248.40  191.737  1277.40  191.913  101.180   8.0928  102.392   8.0009 -1.212082 11.38015 
1 1 1   19    4    4 o   86.228   4.7192  888.683   95.726  968.200  135.434  809.300  135.320   89.555   6.4475   81.644   7.0894 7.911049 9.582761 
1 1 1   19    4    5 f   52.919   3.0728  333.103   38.232  379.000   54.096  287.300   54.040   56.306   4.0967   48.867   4.7429 7.438652 6.267251 
1 1 1   19    4    6 o  130.143   6.8019  2046.89  208.306  2346.60  294.817  1748.10  294.362  138.149   9.0881  118.268   10.655 19.88167 14.00417 
1 1 1   19    4    7 o   67.821   3.7353  548.295   59.590  620.600   84.363  476.300   84.182   71.907   4.9995   62.775   5.7426 9.131985 7.613943 
1 1 1   19    4    8 o   41.508   2.5898  204.884   25.257  229.000   35.730  180.800   35.707   43.772   3.4857   38.785   3.9541 4.987015 5.271136 
1 1 1   19    4    9 o   49.426   2.9625  290.799   34.417  296.000   48.676  285.600   48.669   49.668   4.1894   48.767   4.2693 0.9014053 5.981483 
1 1 1   19    4   10 o   22.254   1.8371   58.980   9.5674   66.800   13.548   51.200   13.513   23.619   2.4655   20.583   2.8573 3.035511 3.773944 
1 1 1   19    4   11 o   85.587   4.7382  879.066   95.386  845.400  134.829  912.800  134.965   83.168   6.9284   86.551   6.6547 -3.382942 9.606622 
1 1 1   19    4   12 o   53.453   3.0832  340.517   38.751  392.900   54.846  288.300   54.759   57.240   4.0846   48.827   4.8119 8.412701 6.311743 
1 1 1   19    4   13 o  102.934   5.6006  1281.64  135.619  1400.50  191.920  1163.10  191.667  106.516   7.6819   96.556   8.4928 9.960281 11.45156 
1 1 1   19    4   14 o   42.938   2.6660  219.639   26.897  213.600   38.004  225.700   38.073   42.133   3.8629   43.340   3.7574 -1.207603 5.388855 
1 1 1   19    4   15 o  102.971   5.7260  1288.11  138.679  1343.00  196.102  1233.20  196.142  103.739   8.0688   99.121   8.4610 4.617950 11.69158 
1 1 1   19    4   16 o   90.675   5.0697  995.159  108.116  1018.20  152.870  972.100  152.929   90.608   7.2043   88.410   7.3932 2.198219 10.32286 
1 1 1   19    4   17 o   33.638   2.2812  134.855   18.013  147.600   25.469  122.100   25.479   35.065   3.1082   31.801   3.4482 3.263563 4.642287 
1 1 1   19    4   18 o   28.609   2.0858   97.558   13.993  106.600   19.782   88.500   19.798   29.796   2.8461   27.068   3.1568 2.728825 4.250341 
1 1 1   19    4   19 o   69.511   3.9373  581.503   64.362  640.500   91.058  522.600   90.985   72.388   5.3653   65.074   5.9882 7.314056 8.040184 
1 1 1   19    4   20 o   63.970   3.7083  492.169   55.777  513.400   78.845  470.900   78.915   64.779   5.1982   61.914   5.4533 2.864277 7.533930 
1 1 1   19    4   21 o   69.110   3.8765  575.687   63.006  648.800   89.173  502.800   89.035   72.790   5.2227   63.668   5.9927 9.121578 7.949158 
1 1 1   19    4   22 o   40.269   2.5527  193.792   24.148  206.000   34.162  181.600   34.139   41.300   3.5371   38.694   3.7848 2.605579 5.180273 
1 1 1   19    4   23 o   31.914   2.1481  121.549   16.094  137.100   22.798  106.100   22.722   33.765   2.8871   29.580   3.3098 4.184578 4.392020 
1 1 1   19    4   24 f   56.142   3.2767  379.359   43.251  406.500   61.212  352.300   61.119   57.632   4.5345   53.473   4.8947 4.159542 6.672360 
1 1 1   19    4   25 o   51.320   3.1378  317.116   37.843  345.400   53.455  288.700   53.580   53.128   4.2977   48.352   4.7542 4.776505 6.408824 
1 1 1   19    4   26 o   65.368   3.7724  519.755   57.983  602.400   82.022  437.200   81.978   69.620   5.0230   58.627   6.0063 10.99279 7.829810 
1 1 1   19    4   27 f   58.951   3.3236  421.384   46.077  490.900   65.240  352.200   65.084   63.027   4.4114   52.820   5.2892 10.20708 6.887384 
1 1 1   19    4   28 o   27.512   2.9662   92.300   18.966   92.300   18.966   0.0000   0.0000   27.512   2.9662  ?   ?  0.000000 2.966224 
1 1 1   19    4   29 o   38.470   3.6518  182.700   32.776  182.700   32.776   0.0000   0.0000   38.470   3.6518  ?   ?  0.000000 3.651756 
1 1 1   19    4   30 o   37.327   3.5710  172.300   31.092  172.300   31.092   0.0000   0.0000   37.327   3.5710  ?   ?  0.000000 3.571035 
1 1 1   19    4   31 o   16.368   2.5118   33.000   9.3985   33.000   9.3985   0.0000   0.0000   16.368   2.5118  ?   ?  0.000000 2.511790 
1 1 1   19    4   32 o   25.387   2.8959   79.300   17.050   79.300   17.050   0.0000   0.0000   25.387   2.8959  ?   ?  0.000000 2.895930 
1 1 1   19    4   33 o   25.783   2.9088   81.900   17.400   81.900   17.400   0.0000   0.0000   25.783   2.9088  ?   ?  0.000000 2.908782 
1 1 1   19    4   34 o   8.7267   2.3464   9.5000   4.9398   9.5000   4.9398   0.0000   0.0000   8.7267   2.3464  ?   ?  0.000000 2.346379 
1 1 1   19    4   35 o   17.766   2.6345   39.100   10.717   39.100   10.717   0.0000   0.0000   17.766   2.6345  ?   ?  0.000000 2.634458 
1 1 1   19    4   36 o   47.166   4.3989  288.400   48.428  288.400   48.428   0.0000   0.0000   47.166   4.3989  ?   ?  0.000000 4.398900 
1 1 1   19    4   37 f   16.722   2.5910   34.900   9.8998   34.900   9.8998   0.0000   0.0000   16.722   2.5910  ?   ?  0.000000 2.590992 
1 1 1   19    4   38 o   40.289   3.9342  210.900   36.951  210.900   36.951   0.0000   0.0000   40.289   3.9342  ?   ?  0.000000 3.934182 
1 1 1   19    4   39 o   17.135   2.6813   37.100   10.493   37.100   10.493   0.0000   0.0000   17.135   2.6813  ?   ?  0.000000 2.681338 
1 1 1   19    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    4   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5    0 o   9.0453   2.8757   12.200   5.4075   12.200   5.4075   12.200   5.4075   9.0453   2.8757   9.0453   2.8757 0.000000 0.000000 
1 1 1   19    5    1 o   64.675   3.7090  498.267   56.407  505.100   79.675  491.400   79.869   64.833   5.2493   63.923   5.3402 0.9103661 7.488189 
1 1 1   19    5    2 o   86.472   4.6518  893.341   94.638  1022.00  133.921  765.000  133.755   92.104   6.1936   79.329   7.2193 12.77522 9.512019 
1 1 1   19    5    3 o   83.621   4.6216  835.574   90.904  893.700  128.587  777.500  128.529   86.037   6.3746   80.074   6.8638 5.963310 9.367360 
1 1 1   19    5    4 f   52.916   3.1155  333.140   38.758  344.000   54.836  322.300   54.787   53.580   4.3722   51.824   4.5223 1.756031 6.290219 
1 1 1   19    5    5 o   62.778   3.4787  469.267   51.367  547.500   72.705  391.300   72.582   67.626   4.5799   56.935   5.4658 10.69123 7.130968 
1 1 1   19    5    6 o   61.899   3.5295  456.471   51.375  505.900   72.676  407.100   72.633   64.943   4.7726   58.094   5.3550 6.848946 7.173116 
1 1 1   19    5    7 o   88.980   4.8830  948.446  102.206  1008.90  144.607  888.100  144.477   91.189   6.7638   85.359   7.2359 5.830505 9.904904 
1 1 1   19    5    8 o   50.754   3.0400  306.663   36.266  296.000   51.318  317.300   51.258   49.629   4.4253   51.429   4.2591 -1.799763 6.141924 
1 1 1   19    5    9 o   69.764   3.9285  581.276   64.453  623.300   91.177  539.300   91.124   71.891   5.4106   66.724   5.8423 5.166771 7.962848 
1 1 1   19    5   10 o   71.451   3.9762  610.133   66.822  686.700   94.541  533.700   94.458   75.462   5.3400   66.258   6.1060 9.204659 8.111672 
1 1 1   19    5   11 o   51.381   3.0641  314.604   37.007  338.000   52.332  291.200   52.341   53.054   4.2118   49.145   4.5622 3.908524 6.209148 
1 1 1   19    5   12 o   32.487   2.2191  125.592   16.922  136.900   23.939  114.300   23.923   33.816   3.0301   30.824   3.3402 2.991926 4.509776 
1 1 1   19    5   13 o   72.826   4.1339  635.720   70.797  652.500  100.061  618.900  100.182   73.249   5.8333   71.263   6.0094 1.985863 8.375012 
1 1 1   19    5   14 o   47.717   2.8308  271.387   31.754  313.500   44.940  229.400   44.873   51.126   3.7486   43.544   4.4256 7.581947 5.799788 
1 1 1   19    5   15 f  119.186   6.5087  1739.66  182.487  2026.70  258.161  1453.00  257.990  126.950   8.6636  105.945   10.448 21.00497 13.57310 
1 1 1   19    5   16 o   62.710   3.5783  471.051   52.768  532.600   74.655  409.600   74.596   66.326   4.7990   57.879   5.5251 8.447342 7.318281 
1 1 1   19    5   17 o   18.786   1.7559   42.150   7.6986   43.900   10.887   40.400   10.887   19.070   2.4762   18.260   2.5983 0.8099537 3.589206 
1 1 1   19    5   18 o   67.535   3.8155  548.028   60.599  636.900   85.735  459.300   85.665   72.365   5.0489   61.007   6.0253 11.35787 7.861004 
1 1 1   19    5   19 o   60.910   3.5072  445.159   50.231  495.400   71.066  395.000   71.007   63.853   4.7472   56.752   5.3622 7.101009 7.161627 
1 1 1   19    5   20 o   47.627   2.8676  271.268   32.100  299.800   45.422  242.800   45.371   49.820   3.8919   44.671   4.3567 5.149158 5.841867 
1 1 1   19    5   21 o   96.270   5.3434  1135.14  120.993  1264.00  171.185  1006.50  171.034  100.082   7.2937   88.437   8.2867 11.64523 11.03935 
1 1 1   19    5   22 o   11.846   1.5447   16.899   4.2183   21.400   6.0352   12.600   5.8984   13.286   1.9846   10.092   2.4903 3.193240 3.184363 
1 1 1   19    5   23 o   44.042   2.6103  231.983   27.026  282.200   38.266  182.000   38.176   48.395   3.3695   38.559   4.2642 9.836750 5.434762 
1 1 1   19    5   24 o   25.355   1.7827   76.642   10.605   93.700   15.092   60.000   14.907   27.965   2.3060   22.218   2.9113 5.747356 3.713939 
1 1 1   19    5   25 o   47.429   2.9048  270.350   32.376  313.300   45.786  227.400   45.786   50.745   3.8497   42.910   4.5899 7.834934 5.990636 
1 1 1   19    5   26 o   67.835   3.9685  561.643   63.291  627.800   89.478  495.400   89.536   70.775   5.3946   62.276   6.1697 8.498325 8.195518 
1 1 1   19    5   27 o   21.822   1.7418   56.957   8.9007   64.600   12.709   49.600   12.469   23.132   2.3598   20.166   2.6852 2.966082 3.574726 
1 1 1   19    5   28 o   56.375   3.0563  385.197   40.534  457.200   57.486  314.000   57.163   60.871   4.0221   49.861   4.9192 11.01023 6.354171 
1 1 1   19    5   29 o   22.009   2.7065   59.200   13.770   59.200   13.770   0.0000   0.0000   22.009   2.7065  ?   ?  0.000000 2.706537 
1 1 1   19    5   30 o   43.075   3.9761  231.500   39.986  231.500   39.986   0.0000   0.0000   43.075   3.9761  ?   ?  0.000000 3.976109 
1 1 1   19    5   31 o   40.154   3.7782  201.100   35.403  201.100   35.403   0.0000   0.0000   40.154   3.7782  ?   ?  0.000000 3.778245 
1 1 1   19    5   32 o   6.6084   2.1347   5.1000   3.7952   5.1000   3.7952   0.0000   0.0000   6.6084   2.1347  ?   ?  0.000000 2.134669 
1 1 1   19    5   33 o   39.651   3.7742  197.100   34.912  197.100   34.912   0.0000   0.0000   39.651   3.7742  ?   ?  0.000000 3.774235 
1 1 1   19    5   34 o   10.832   2.3908   14.700   5.9517   14.700   5.9517   0.0000   0.0000   10.832   2.3908  ?   ?  0.000000 2.390809 
1 1 1   19    5   35 o   32.740   3.3217  133.600   25.325  133.600   25.325   0.0000   0.0000   32.740   3.3217  ?   ?  0.000000 3.321712 
1 1 1   19    5   36 o  ?   ?   -4.7000   0.6748  -4.7000   0.6748   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   19    5   37 o   10.520   2.4391   14.000   5.9412   14.000   5.9412   0.0000   0.0000   10.520   2.4391  ?   ?  0.000000 2.439087 
1 1 1   19    5   38 o   12.103   2.4333   18.500   6.7130   18.500   6.7130   0.0000   0.0000   12.103   2.4333  ?   ?  0.000000 2.433265 
1 1 1   19    5   39 o   5.0283   1.9837   1.8000   3.4725   1.8000   3.4725   0.0000   0.0000   5.0283   1.9837  ?   ?  0.000000 1.983654 
1 1 1   19    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    5   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6    0 o   28.476   3.0611   99.200   19.982   99.200   19.982   99.200   19.982   28.476   3.0611   28.476   3.0611 0.000000 0.000000 
1 1 1   19    6    1 o   58.177   3.3695  402.889   46.090  445.000   65.190  360.800   65.173   60.953   4.5624   54.744   5.1003 6.208725 6.843134 
1 1 1   19    6    2 o   85.640   4.5727  876.253   92.137  988.100  130.447  764.900  130.158   90.542   6.1375   79.350   7.0188 11.19218 9.323794 
1 1 1   19    6    3 o   25.291   1.9532   76.100   11.574   76.000   16.371   76.200   16.365   25.173   2.8016   25.207   2.7965 -0.3414917E-01 3.958504 
1 1 1   19    6    4 o   55.095   3.1975  361.259   41.420  388.400   58.622  334.200   58.533   56.940   4.3939   52.725   4.7524 4.215225 6.472402 
1 1 1   19    6    5 o   67.390   3.7513  541.396   59.459  608.300   84.152  474.700   84.022   71.182   5.0391   62.673   5.7412 8.508900 7.638992 
1 1 1   19    6    6 o   91.282   5.0578  999.015  108.595  1073.00  153.561  925.000  153.592   93.983   6.9691   87.010   7.5503 6.973038 10.27494 
1 1 1   19    6    7 o   54.364   3.1871  351.929   40.734  345.500   57.513  358.400   57.701   53.619   4.5866   54.632   4.5131 -1.013706 6.434650 
1 1 1   19    6    8 o   36.019   2.3686  154.299   20.033  158.100   28.334  150.500   28.329   36.334   3.3398   35.428   3.4292 0.9052620 4.786823 
1 1 1   19    6    9 o   78.744   4.3771  742.260   81.068  811.300  114.680  673.300  114.614   81.866   5.9735   74.333   6.5983 7.532265 8.900599 
1 1 1   19    6   10 o   85.428   4.6095  875.066   92.642  980.200  131.130  770.300  130.901   89.880   6.2166   79.309   7.0636 10.57084 9.409657 
1 1 1   19    6   11 o   44.267   2.7627  233.381   28.734  252.600   40.603  214.100   40.669   45.893   3.7803   42.157   4.1387 3.736073 5.605367 
1 1 1   19    6   12 o   54.107   2.9903  348.815   38.058  422.400   53.909  275.700   53.737   59.388   3.8652   47.709   4.8367 11.67873 6.191459 
1 1 1   19    6   13 o   99.381   5.4325  1194.32  127.004  1298.40  179.678  1090.40  179.544  102.577   7.4692   93.538   8.2118 9.038483 11.10056 
1 1 1   19    6   14 o   84.654   4.7706  863.646   94.975  927.400  134.267  799.800  134.365   86.948   6.5885   80.444   7.1479 6.504799 9.721135 
1 1 1   19    6   15 o   65.600   3.7772  515.820   58.263  540.100   82.363  491.500   82.429   66.666   5.2751   63.479   5.5550 3.187443 7.660576 
1 1 1   19    6   16 o   30.638   2.1605  111.850   15.531  109.900   21.964  113.800   21.964   30.218   3.1232   30.766   3.0641 -0.5477219 4.375217 
1 1 1   19    6   17 o   41.320   2.6170  203.710   25.402  209.900   35.894  197.500   35.955   41.736   3.6797   40.446   3.8095 1.290710 5.296463 
1 1 1   19    6   18 o   65.942   3.8138  522.682   59.132  603.000   83.609  442.300   83.642   70.381   5.0646   59.850   5.9991 10.53127 7.851125 
1 1 1   19    6   19 o   58.529   3.3980  410.869   46.762  447.900   66.158  373.900   66.104   60.717   4.6497   55.275   5.1227 5.441742 6.918265 
1 1 1   19    6   20 o  100.280   5.5526  1232.77  130.972  1399.00  185.294  1066.80  185.151  105.280   7.5025   90.836   8.7398 14.44409 11.51827 
1 1 1   19    6   21 o   42.291   2.6404  213.783   26.236  229.100   37.123  198.500   37.083   43.551   3.6433   40.439   3.9332 3.111172 5.361332 
1 1 1   19    6   22 o   17.769   1.6464   37.729   6.8296   44.800   9.7438   30.900   9.5755   19.300   2.1760   15.899   2.6433 3.400780 3.423772 
1 1 1   19    6   23 o   33.429   2.1913  133.404   17.202  156.400   24.378  110.600   24.276   36.070   2.8863   30.159   3.4722 5.911335 4.515149 
1 1 1   19    6   24 o   61.885   3.4586  461.918   50.339  541.300   71.273  382.900   71.109   66.500   4.5665   55.424   5.5062 11.07602 7.153347 
1 1 1   19    6   25 o   37.689   2.4779  170.221   21.930  182.400   30.987  158.000   31.040   38.768   3.4200   35.974   3.7071 2.793789 5.043667 
1 1 1   19    6   26 f   29.726   2.1295  105.800   14.849  123.700   20.999   87.900   20.999   32.000   2.8074   26.779   3.3972 5.220530 4.407030 
1 1 1   19    6   27 f   37.281   2.3323  166.763   20.429  187.400   28.988  146.400   28.796   39.279   3.1519   34.542   3.5825 4.737293 4.771629 
1 1 1   19    6   28 o   39.457   2.4537  187.406   22.748  206.400   32.251  168.600   32.091   41.084   3.3536   36.954   3.7286 4.130447 5.014904 
1 1 1   19    6   29 o   41.024   2.5088  203.002   24.187  228.100   34.273  178.100   34.139   43.127   3.3928   37.861   3.8730 5.266075 5.148888 
1 1 1   19    6   30 o   17.699   2.5797   38.500   10.464   38.500   10.464   0.0000   0.0000   17.699   2.5797  ?   ?  0.000000 2.579659 
1 1 1   19    6   31 o   12.771   2.4775   20.300   7.2020   20.300   7.2020   0.0000   0.0000   12.771   2.4775  ?   ?  0.000000 2.477461 
1 1 1   19    6   32 o   15.218   2.4564   28.600   8.5265   28.600   8.5265   0.0000   0.0000   15.218   2.4564  ?   ?  0.000000 2.456442 
1 1 1   19    6   33 o   27.904   3.0083   96.100   19.509   96.100   19.509   0.0000   0.0000   27.904   3.0083  ?   ?  0.000000 3.008293 
1 1 1   19    6   34 o   13.075   2.4508   21.300   7.2890   21.300   7.2890   0.0000   0.0000   13.075   2.4508  ?   ?  0.000000 2.450838 
1 1 1   19    6   35 o   24.309   2.8637   73.100   16.123   73.100   16.123   0.0000   0.0000   24.309   2.8637  ?   ?  0.000000 2.863672 
1 1 1   19    6   36 o   20.352   2.6807   51.400   12.570   51.400   12.570   0.0000   0.0000   20.352   2.6807  ?   ?  0.000000 2.680719 
1 1 1   19    6   37 o   21.768   2.7589   59.100   13.863   59.100   13.863   0.0000   0.0000   21.768   2.7589  ?   ?  0.000000 2.758918 
1 1 1   19    6   38 o   9.7569   2.4750   12.100   5.7110   12.100   5.7110   0.0000   0.0000   9.7569   2.4750  ?   ?  0.000000 2.474978 
1 1 1   19    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    6   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7    0 o  122.369   9.7201  1838.00  276.793  1838.00  276.793  1838.00  276.793  122.369   9.7201  122.369   9.7201 0.000000 0.000000 
1 1 1   19    7    1 f   38.037   2.4779  172.023   22.135  180.800   31.263  163.200   31.345   38.878   3.4410   36.891   3.6459 1.987038 5.013262 
1 1 1   19    7    2 o  131.013   7.0654  2078.60  217.773  2220.00  308.135  1937.50  307.819  133.881   9.8152  124.570   10.564 9.310738 14.42006 
1 1 1   19    7    3 o   46.483   2.8231  256.993   30.841  262.200   43.646  251.800   43.586   46.785   3.9888   45.827   4.0701 0.9576683 5.698810 
1 1 1   19    7    4 o  127.978   6.9920  1984.53  210.499  2040.40  297.746  1928.70  297.636  128.143   9.9171  124.374   10.225 3.768570 14.24417 
1 1 1   19    7    5 o   92.372   4.9619  1022.46  107.834  1164.60  152.600  880.700  152.400   98.051   6.6298   84.822   7.6925 13.22903 10.15523 
1 1 1   19    7    6 o   95.070   5.1563  1084.70  115.323  1217.20  163.153  952.400  163.029  100.082   6.9466   88.088   7.9224 11.99458 10.53662 
1 1 1   19    7    7 o   42.462   2.4828  214.308   24.786  253.700   35.139  175.300   34.967   46.112   3.2478   38.177   3.9352 7.935417 5.102411 
1 1 1   19    7    8 o   68.967   3.8976  568.132   63.214  586.400   89.441  549.900   89.355   69.684   5.4797   67.415   5.6656 2.269020 7.882002 
1 1 1   19    7    9 o   98.366   5.4354  1165.70  125.762  1198.30  177.839  1133.10  177.868   98.766   7.6859   95.909   7.9248 2.856918 11.03969 
1 1 1   19    7   10 o   94.816   5.2007  1082.49  115.996  1182.30  164.092  982.800  163.995   98.288   7.1183   89.219   7.8646 9.069557 10.60764 
1 1 1   19    7   11 o   15.476   1.6991   28.672   6.1070   32.800   8.6137   24.500   8.6596   16.485   2.2732   14.139   2.6920 2.346533 3.523407 
1 1 1   19    7   12 o  101.638   5.6722  1251.01  135.593  1324.20  191.678  1177.70  191.838  103.378   7.9121   97.142   8.4471 6.235725 11.57388 
1 1 1   19    7   13 o   69.314   3.9446  575.655   64.296  599.200   90.919  552.100   90.938   70.237   5.5265   67.316   5.7769 2.921082 7.994711 
1 1 1   19    7   14 o   92.363   5.1233  1031.53  111.303  1102.30  157.435  960.800  157.378   94.480   7.1088   87.864   7.6620 6.616142 10.45181 
1 1 1   19    7   15 o   95.867   5.3299  1115.23  120.180  1227.30  169.975  1003.20  169.945   99.440   7.2895   89.315   8.1476 10.12509 10.93255 
1 1 1   19    7   16 o   51.433   3.0348  316.092   36.694  349.000   51.939  283.300   51.848   53.791   4.1204   48.301   4.6015 5.490299 6.176654 
1 1 1   19    7   17 o   66.087   3.7336  524.323   58.026  606.200   82.100  442.600   82.023   70.647   4.9527   59.963   5.8680 10.68344 7.678726 
1 1 1   19    7   18 o   36.721   2.4188  160.862   20.857  170.300   29.477  151.400   29.514   37.615   3.3539   35.401   3.5798 2.214569 4.905475 
1 1 1   19    7   19 o   71.193   4.0608  611.242   67.985  642.400   96.156  580.100   96.133   72.281   5.6794   68.507   6.0031 3.773750 8.263978 
1 1 1   19    7   20 o   75.598   4.3163  691.578   76.732  749.100  108.489  634.000  108.542   77.858   5.9459   71.271   6.5217 6.586723 8.825339 
1 1 1   19    7   21 o   18.933   1.7649   42.853   7.7995   42.400   11.073   43.300   10.988   18.702   2.5757   18.912   2.5233 -0.2103729 3.605748 
1 1 1   19    7   22 o   37.110   2.4025  164.524   20.941  183.100   29.635  146.000   29.594   38.976   3.2495   34.671   3.6706 4.305691 4.902307 
1 1 1   19    7   23 o   62.265   3.5345  467.547   51.753  527.300   73.254  408.000   73.127   65.590   4.7621   57.314   5.4697 8.276554 7.252236 
1 1 1   19    7   24 o   33.017   2.3216  130.431   17.985  145.000   25.365  115.700   25.506   34.640   3.1349   30.799   3.5734 3.840397 4.753633 
1 1 1   19    7   25 o   39.366   2.5831  185.960   23.878  213.900   33.733  157.900   33.805   41.983   3.4327   35.823   4.0684 6.159599 5.323039 
1 1 1   19    7   26 f   23.559   1.9015   66.440   10.488   76.500   14.839   56.400   14.825   25.166   2.5314   21.459   3.0082 3.706928 3.931624 
1 1 1   19    7   27 o   73.281   4.2829  663.278   73.789  703.500  104.317  623.000  104.391   73.917   6.0291   69.106   6.4725 4.810608 8.845487 
1 1 1   19    7   28 o   26.052   1.8784   81.305   11.478   93.900   16.328   69.000   16.139   27.858   2.5091   23.730   2.9433 4.127859 3.867593 
1 1 1   19    7   29 o   33.273   2.1894  133.108   17.106  148.300   24.266  118.100   24.118   34.872   2.9754   30.955   3.3531 3.916327 4.482855 
1 1 1   19    7   30 o   18.833   1.5639   42.495   6.8921   52.300   9.9074   33.300   9.5940   20.810   2.0425   16.439   2.5545 4.371181 3.270667 
1 1 1   19    7   31 o   25.404   2.8719   79.300   16.925   79.300   16.925   0.0000   0.0000   25.404   2.8719  ?   ?  0.000000 2.871933 
1 1 1   19    7   32 o   20.708   2.6477   52.700   12.650   52.700   12.650   0.0000   0.0000   20.708   2.6477  ?   ?  0.000000 2.647679 
1 1 1   19    7   33 o   14.927   2.4817   27.600   8.4407   27.600   8.4407   0.0000   0.0000   14.927   2.4817  ?   ?  0.000000 2.481738 
1 1 1   19    7   34 o   36.056   3.5316  162.600   29.682  162.600   29.682   0.0000   0.0000   36.056   3.5316  ?   ?  0.000000 3.531591 
1 1 1   19    7   35 o   2.9968   1.3585  -1.2000   2.0761  -1.2000   2.0761   0.0000   0.0000   2.9968   1.3585  ?   ?  0.000000 1.358531 
1 1 1   19    7   36 o   27.876   3.0472   97.000   19.732   97.000   19.732   0.0000   0.0000   27.876   3.0472  ?   ?  0.000000 3.047238 
1 1 1   19    7   37 o   16.209   2.5176   32.800   9.3233   32.800   9.3233   0.0000   0.0000   16.209   2.5176  ?   ?  0.000000 2.517617 
1 1 1   19    7   38 o   23.567   2.8355   69.700   15.463   69.700   15.463   0.0000   0.0000   23.567   2.8355  ?   ?  0.000000 2.835511 
1 1 1   19    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    7   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8    0 o   75.094   6.1237  684.800  106.927  684.800  106.927  684.800  106.927   75.094   6.1237   75.094   6.1237 0.000000 0.000000 
1 1 1   19    8    1 o   28.750   2.0820   98.301   14.039   99.900   19.848   96.700   19.860   28.879   2.9520   28.400   3.0071 0.4791565 4.213923 
1 1 1   19    8    2 o   47.068   2.8346  263.529   31.357  290.300   44.364  236.800   44.328   49.263   3.8441   44.387   4.2825 4.876347 5.754729 
1 1 1   19    8    3 o   68.343   3.8773  557.297   62.315  568.400   88.137  546.200   88.116   68.668   5.4812   67.276   5.5975 1.391991 7.834206 
1 1 1   19    8    4 o  129.062   6.9143  2019.48  209.956  2201.60  297.146  1837.90  296.698  133.253   9.5058  121.073   10.481 12.18015 14.14982 
1 1 1   19    8    5 o   25.610   1.9611   78.047   11.769   82.600   16.650   73.500   16.639   26.259   2.7249   24.728   2.9048 1.530966 3.982808 
1 1 1   19    8    6 o  146.569   8.0614  2632.72  277.935  2693.50  393.142  2572.00  392.976  145.527   11.535  141.927   11.834 3.600266 16.52542 
1 1 1   19    8    7 o   65.697   3.7155  515.154   57.403  557.300   81.225  473.100   81.136   68.025   5.0935   62.526   5.5531 5.499043 7.535295 
1 1 1   19    8    8 o   57.389   3.2820  392.577   44.291  425.000   62.708  360.300   62.567   59.479   4.4980   54.646   4.9008 4.833588 6.652029 
1 1 1   19    8    9 o   79.488   4.4440  757.397   83.079  767.700  117.510  747.100  117.472   79.426   6.3176   78.313   6.4085 1.112450 8.999002 
1 1 1   19    8   10 o   38.536   2.4316  176.712   22.014  202.900   31.155  150.600   31.110   41.190   3.2290   35.352   3.7855 5.837578 4.975598 
1 1 1   19    8   11 o   61.456   3.4544  451.000   49.926  513.500   70.662  388.700   70.549   65.312   4.6114   56.582   5.3435 8.729660 7.058193 
1 1 1   19    8   12 o   50.789   2.9901  307.599   35.703  329.000   50.553  286.300   50.431   52.306   4.1264   48.702   4.4338 3.604576 6.056891 
1 1 1   19    8   13 f   27.165   1.9742   87.850   12.577   99.400   17.825   76.400   17.748   28.816   2.6493   25.166   3.0487 3.649940 4.038969 
1 1 1   19    8   14 o   37.982   2.4234  171.856   21.621  187.600   30.621  156.200   30.534   39.544   3.3096   35.994   3.6426 3.550323 4.921611 
1 1 1   19    8   15 o  144.318   8.1372  2614.09  276.174  2706.00  390.597  2522.20  390.542  142.436   11.717  136.822   12.216 5.614151 16.92715 
1 1 1   19    8   16 o   63.290   3.6361  480.436   54.113  491.400   76.575  469.500   76.480   63.519   5.1496   62.034   5.2710 1.485271 7.368958 
1 1 1   19    8   17 o   63.906   3.6537  490.204   54.907  550.600   77.680  429.900   77.621   67.305   4.9218   59.164   5.6236 8.140743 7.473180 
1 1 1   19    8   18 o   98.458   5.3756  1183.09  124.509  1357.00  176.188  1009.60  175.976  104.143   7.2088   88.795   8.4965 15.34866 11.14256 
1 1 1   19    8   19 o  112.929   6.3636  1579.11  169.004  1606.70  238.979  1551.50  239.038  111.185   9.1845  109.044   9.3744 2.141174 13.12383 
1 1 1   19    8   20 o   66.256   3.8501  529.244   59.977  605.400   84.795  453.000   84.844   70.324   5.1419   60.370   6.0324 9.953819 7.926507 
1 1 1   19    8   21 o   44.860   2.7154  240.680   28.629  274.100   40.530  207.400   40.444   47.654   3.6290   41.250   4.2112 6.403931 5.559187 
1 1 1   19    8   22 o   28.415   2.0745   96.400   13.823  108.200   19.549   84.600   19.549   29.986   2.7930   26.397   3.2018 3.588652 4.248784 
1 1 1   19    8   23 o   6.2420   1.6003   4.7937   2.3699   4.9000   3.4630   4.7000   3.2502   6.4645   2.0339   6.3160   1.9677 0.1485400 2.829911 
1 1 1   19    8   24 o   69.813   4.1577  593.852   68.231  689.200   96.391  498.100   96.595   74.366   5.5286   62.425   6.6556 11.94154 8.652320 
1 1 1   19    8   25 o   20.099   1.8363   48.393   8.6188   57.900   12.161   38.800   12.216   21.901   2.3904   17.739   3.0249 4.161207 3.855392 
1 1 1   19    8   26 o   26.911   2.0414   86.759   12.876   97.700   18.201   75.800   18.217   28.409   2.7475   24.881   3.1728 3.528212 4.197113 
1 1 1   19    8   27 o   29.689   2.1251  105.740   14.800  108.400   20.969  103.100   20.890   29.826   3.0188   29.059   3.0919 0.7673931 4.321272 
1 1 1   19    8   28 o   20.131   1.7643   48.619   8.3023   54.400   11.773   42.900   11.710   21.169   2.3974   18.685   2.7350 2.483858 3.637000 
1 1 1   19    8   29 o   19.498   1.7180   45.624   7.8292   50.700   11.157   40.700   10.989   20.424   2.3567   18.201   2.6333 2.222206 3.533868 
1 1 1   19    8   30 o   49.967   2.8025  303.308   32.934  362.300   46.691  244.900   46.460   54.090   3.6774   43.880   4.5500 10.20992 5.850290 
1 1 1   19    8   31 o   9.1596   1.6180   10.287   3.3717   10.500   4.9354   10.100   4.6171   9.1686   2.2872   8.9966   2.1932 0.1720543 3.168796 
1 1 1   19    8   32 o   41.283   3.8756  213.900   37.339  213.900   37.339   0.0000   0.0000   41.283   3.8756  ?   ?  0.000000 3.875602 
1 1 1   19    8   33 o   33.441   3.3624  139.000   26.192  139.000   26.192   0.0000   0.0000   33.441   3.3624  ?   ?  0.000000 3.362444 
1 1 1   19    8   34 o   23.301   2.7922   67.000   15.058   67.000   15.058   0.0000   0.0000   23.301   2.7922  ?   ?  0.000000 2.792211 
1 1 1   19    8   35 f   17.070   2.5383   36.100   9.9196   36.100   9.9196   0.0000   0.0000   17.070   2.5383  ?   ?  0.000000 2.538254 
1 1 1   19    8   36 o   7.7790   2.2418   7.5000   4.3432   7.5000   4.3432   0.0000   0.0000   7.7790   2.2418  ?   ?  0.000000 2.241791 
1 1 1   19    8   37 o   29.863   3.1802  112.500   22.081  112.500   22.081   0.0000   0.0000   29.863   3.1802  ?   ?  0.000000 3.180184 
1 1 1   19    8   38 o   19.405   2.7078   47.300   12.069   47.300   12.069   0.0000   0.0000   19.405   2.7078  ?   ?  0.000000 2.707793 
1 1 1   19    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    8   49 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9    0 o   3.5769   1.9610   2.1000   2.3777   2.1000   2.3777   2.1000   2.3777   3.5769   1.9610   3.5769   1.9610 0.000000 0.000000 
1 1 1   19    9    1 o   96.520   5.3673  1119.46  121.849  1088.20  172.497  1150.60  172.143   94.244   7.8218   97.034   7.5728 -2.789619 10.88711 
1 1 1   19    9    2 o   51.338   2.9906  313.667   36.097  352.800   51.103  274.700   50.995   54.292   4.0146   47.765   4.5773 6.527866 6.088402 
1 1 1   19    9    3 o   30.891   2.1473  113.485   15.566  120.900   22.036  106.100   21.992   31.789   2.9699   29.731   3.1820 2.058159 4.352634 
1 1 1   19    9    4 o   74.530   4.1837  664.044   73.333  651.200  103.685  676.900  103.732   73.314   6.0430   74.793   5.9218 -1.479279 8.460839 
1 1 1   19    9    5 o   30.493   2.1416  110.596   15.323  103.000   21.664  118.200   21.675   29.284   3.1843   31.428   2.9554 -2.143618 4.344436 
1 1 1   19    9    6 o   25.377   1.9516   76.647   11.605   79.100   16.423   74.200   16.400   25.683   2.7508   24.851   2.8460 0.8316307 3.958110 
1 1 1   19    9    7 o   17.778   1.6953   37.720   7.0307   45.500   9.9625   30.000   9.9236   19.479   2.2047   15.673   2.7833 3.806005 3.550676 
1 1 1   19    9    8 o   18.419   1.7299   40.484   7.4358   44.000   10.539   37.000   10.492   19.124   2.3858   17.474   2.6240 1.650278 3.546422 
1 1 1   19    9    9 o   44.586   2.7186  236.713   28.486  247.800   40.352  225.700   40.218   45.444   3.7950   43.321   3.9759 2.123241 5.496408 
1 1 1   19    9   10 o   51.267   3.0549  313.399   36.815  306.100   52.062  320.700   52.066   50.393   4.4197   51.614   4.3114 -1.221142 6.174312 
1 1 1   19    9   11 o   71.463   3.9374  611.511   66.187  682.100   93.695  541.200   93.511   75.067   5.3202   66.590   6.0117 8.476860 8.027766 
1 1 1   19    9   12 o  110.135   6.1365  1477.74  158.958  1590.30  224.757  1365.10  224.845  112.695   8.5086  103.821   9.2689 8.874382 12.58209 
1 1 1   19    9   13 o   37.609   2.3204  168.371   20.507  200.400   29.060  136.600   28.943   40.935   3.0278   33.628   3.7064 7.307117 4.785924 
1 1 1   19    9   14 o   18.579   1.7300   41.216   7.5026   43.900   10.679   38.600   10.543   19.082   2.4248   17.848   2.5760 1.234053 3.537727 
1 1 1   19    9   15 o   13.457   1.6479   21.753   5.1270   21.500   7.3010   22.000   7.2015   13.254   2.4221   13.421   2.3584 -0.1673841 3.380582 
1 1 1   19    9   16 o   55.628   3.2293  370.301   42.237  395.700   59.790  345.000   59.674   57.171   4.4642   53.257   4.7966 3.914764 6.552588 
1 1 1   19    9   17 o   28.406   2.0584   96.183   13.714  113.700   19.403   78.700   19.385   30.802   2.6948   25.470   3.3007 5.332129 4.261071 
1 1 1   19    9   18 o   75.425   4.1579  686.411   73.768  760.100  104.422  613.000  104.225   78.680   5.6582   70.264   6.3503 8.415497 8.505361 
1 1 1   19    9   19 o   55.222   3.3665  366.061   43.689  401.400   61.646  330.400   61.927   57.443   4.5828   51.889   5.1208 5.554329 6.872036 
1 1 1   19    9   20 o   22.853   1.8594   62.332   9.9470   70.000   14.084   54.700   14.051   24.129   2.5086   21.229   2.8770 2.899841 3.817093 
1 1 1   19    9   21 o   36.615   2.3785  160.117   20.453  185.500   28.944  134.800   28.906   39.262   3.1484   33.288   3.7422 5.974483 4.890473 
1 1 1   19    9   22 o  103.983   5.8770  1343.51  143.713  1470.80  203.273  1216.30  203.209  106.424   8.1506   95.680   9.1038 10.74381 12.21934 
1 1 1   19    9   23 o   42.018   2.6362  211.489   26.024  231.900   36.813  191.100   36.794   43.745   3.5956   39.561   3.9933 4.183929 5.373521 
1 1 1   19    9   24 o   88.155   5.1178  962.342  106.076  994.000  149.679  930.400  150.351   87.533   7.3084   84.333   7.6327 3.199440 10.56740 
1 1 1   19    9   25 o   32.571   2.2714  127.129   17.360  133.600   24.496  120.600   24.605   33.168   3.1661   31.441   3.3664 1.727003 4.621320 
1 1 1   19    9   26 o   46.503   2.9531  261.323   32.260  281.100   45.482  241.300   45.765   47.756   4.0722   44.035   4.4628 3.720097 6.041447 
1 1 1   19    9   27 o   42.477   2.6467  217.662   26.415  244.800   37.383  190.600   37.331   44.676   3.5734   39.155   4.0983 5.521393 5.437376 
1 1 1   19    9   28 o   50.569   3.0017  310.596   35.684  350.000   50.531  271.400   50.398   53.092   4.0614   46.352   4.6681 6.740681 6.187536 
1 1 1   19    9   29 o   35.688   2.2973  153.439   19.257  175.000   27.305  132.100   27.164   37.831   3.0833   32.633   3.5841 5.197800 4.727858 
1 1 1   19    9   30 o   28.613   2.0421   98.495   13.707  106.600   19.451   90.500   19.318   29.529   2.8239   27.101   3.0729 2.428381 4.173412 
1 1 1   19    9   31 o   30.934   1.9156  114.880   13.924  148.100   19.788   82.300   19.596   34.978   2.4105   25.720   3.3028 9.257540 4.088906 
1 1 1   19    9   32 o   3.5622   1.3301   1.1345   1.5033  -0.1000   2.6821   1.7000   1.8153   3.8629   1.6528   4.1096   1.4731 -0.2466149 2.213991 
1 1 1   19    9   33 o   13.689   2.4732   23.300   7.7003   23.300   7.7003   0.0000   0.0000   13.689   2.4732  ?   ?  0.000000 2.473249 
1 1 1   19    9   34 o   19.862   2.6561   48.700   12.145   48.700   12.145   0.0000   0.0000   19.862   2.6561  ?   ?  0.000000 2.656063 
1 1 1   19    9   35 o   24.526   2.8579   74.600   16.241   74.600   16.241   0.0000   0.0000   24.526   2.8579  ?   ?  0.000000 2.857923 
1 1 1   19    9   36 o   26.987   3.0050   91.000   18.825   91.000   18.825   0.0000   0.0000   26.987   3.0050  ?   ?  0.000000 3.004995 
1 1 1   19    9   37 o   22.170   2.7855   61.500   14.261   61.500   14.261   0.0000   0.0000   22.170   2.7855  ?   ?  0.000000 2.785541 
1 1 1   19    9   38 o   16.770   2.7189   35.600   10.398   35.600   10.398   0.0000   0.0000   16.770   2.7189  ?   ?  0.000000 2.718885 
1 1 1   19    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19    9   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10    0 o  101.711   8.1470  1266.30  192.783  1266.30  192.783  1266.30  192.783  101.711   8.1470  101.711   8.1470 0.000000 0.000000 
1 1 1   19   10    1 o  106.017   5.6840  1354.22  141.778  1460.50  200.774  1248.50  200.237  109.140   7.8427  100.535   8.5146 8.605690 11.57614 
1 1 1   19   10    2 o   34.247   2.2774  139.484   18.312  130.000   25.875  149.000   25.919   32.909   3.3776   35.291   3.1432 -2.381603 4.613887 
1 1 1   19   10    3 o   71.552   3.8836  611.349   65.373  684.400   92.579  538.700   92.323   75.385   5.2332   66.644   5.9285 8.740196 7.907793 
1 1 1   19   10    4 o   27.563   2.0264   90.392   13.097  103.300   18.527   77.500   18.516   29.395   2.6993   25.355   3.1613 4.040447 4.156871 
1 1 1   19   10    5 o   52.460   3.0924  327.883   38.139  355.400   53.954  300.400   53.920   54.419   4.2319   49.922   4.6266 4.497417 6.270113 
1 1 1   19   10    6 o   58.400   3.3924  406.846   46.581  399.700   65.859  414.000   65.893   57.567   4.8912   58.617   4.8027 -1.049755 6.854883 
1 1 1   19   10    7 o   18.144   1.7261   39.293   7.3061   41.800   10.347   36.800   10.318   18.628   2.4087   17.431   2.5850 1.197308 3.533292 
1 1 1   19   10    8 o   31.160   2.1559  115.533   15.766  125.800   22.315  105.300   22.277   32.417   2.9473   29.588   3.2415 2.829290 4.381117 
1 1 1   19   10    9 o   16.107   1.6645   31.016   6.2394   39.200   8.8421   22.900   8.8057   18.071   2.1119   13.640   2.8268 4.431457 3.528569 
1 1 1   19   10   10 o   36.903   2.3664  162.092   20.512  174.300   29.078  150.000   28.940   38.140   3.2599   35.316   3.5171 2.824097 4.795519 
1 1 1   19   10   11 o   28.081   2.0532   93.896   13.520   96.300   19.138   91.500   19.103   28.323   2.9025   27.588   2.9797 0.7352638 4.159675 
1 1 1   19   10   12 o   75.110   4.1593  677.414   73.482  746.900  103.984  608.100  103.856   78.336   5.6595   70.380   6.3164 7.955826 8.480910 
1 1 1   19   10   13 o   32.230   2.2211  123.750   16.801  123.800   23.782  123.700   23.737   32.087   3.1807   32.075   3.1757 0.1214600E-01 4.494673 
1 1 1   19   10   14 o   96.230   5.1386  1122.95  116.344  1279.10  164.721  967.500  164.350  101.666   6.9023   87.647   8.0302 14.01904 10.58895 
1 1 1   19   10   15 o   44.122   2.7175  232.337   28.175  244.900   39.866  219.800   39.826   45.083   3.7797   42.641   4.0021 2.442459 5.504822 
1 1 1   19   10   16 o   75.904   4.2571  694.798   75.996  736.100  107.542  653.600  107.407   77.387   5.9301   72.703   6.3191 4.684044 8.665880 
1 1 1   19   10   17 o   35.066   2.2692  146.579   18.689  167.600   26.475  125.700   26.386   37.374   3.0259   32.231   3.5243 5.143845 4.645067 
1 1 1   19   10   18 o   76.013   4.0138  696.418   71.789  822.500  101.721  571.300  101.331   82.029   5.2795   67.747   6.4104 14.28253 8.304592 
1 1 1   19   10   19 o   16.647   1.7451   33.194   6.7579   47.600   9.5427   18.700   9.5715   19.924   2.0580   12.289   3.2489 7.634622 3.845895 
1 1 1   19   10   20 o   16.250   1.6823   31.621   6.3619   37.100   9.0216   26.200   8.9729   17.533   2.2294   14.603   2.7017 2.930542 3.502741 
1 1 1   19   10   21 o   25.949   1.9142   80.325   11.646   98.100   16.505   62.700   16.436   28.603   2.4679   22.683   3.1539 5.919773 4.004692 
1 1 1   19   10   22 o   5.5383   1.6011   3.7095   2.2122   4.5000   3.3527   3.1000   2.9441   6.2397   2.0054   5.4097   1.8815 0.8300099 2.749868 
1 1 1   19   10   23 o   28.458   2.0907   96.806   13.952   99.500   19.709   94.100   19.752   28.683   2.9521   27.863   3.0520 0.8200874 4.246093 
1 1 1   19   10   24 f   14.483   1.7036   25.235   5.7147   30.200   8.0536   20.200   8.1103   15.770   2.2244   12.749   2.7729 3.020905 3.554881 
1 1 1   19   10   25 o   75.075   4.5618  696.559   80.488  804.100  113.638  588.300  114.017   79.306   6.1154   66.644   7.3684 12.66137 9.575521 
1 1 1   19   10   26 o   12.723   1.6893   19.571   4.9496   24.800   6.9860   14.300   7.0137   14.263   2.1402   10.709   2.7571 3.554177 3.490254 
1 1 1   19   10   27 o   31.916   2.1799  122.346   16.331  139.900   23.131  104.900   23.059   33.922   2.9161   29.176   3.4114 4.745144 4.487871 
1 1 1   19   10   28 o   41.400   2.5012  206.762   24.337  246.600   34.499  167.300   34.336   44.895   3.2768   36.591   4.0412 8.304012 5.202811 
1 1 1   19   10   29 o   32.707   2.2100  128.843   16.969  146.000   24.037  111.800   23.958   34.559   2.9744   30.032   3.4403 4.527231 4.547845 
1 1 1   19   10   30 f   21.993   1.7565   58.073   9.0459   69.900   12.863   46.500   12.724   24.010   2.2968   19.382   2.8666 4.628546 3.673201 
1 1 1   19   10   31 o   4.7478   1.5672   2.5592   2.0406   1.2000   3.3009   3.4000   2.5961   4.7394   1.9123   5.4293   1.7665 -0.6899447 2.603366 
1 1 1   19   10   32 o   42.905   2.5670  223.522   25.888  253.400   36.753  194.100   36.472   45.188   3.4709   39.207   3.9953 5.981277 5.292351 
1 1 1   19   10   33 o   9.6588   1.4827   11.362   3.2737   14.700   4.8650   8.6000   4.4257   10.916   1.9594   8.3085   2.2153 2.607450 2.957470 
1 1 1   19   10   34 o   18.236   2.5800   41.100   10.800   41.100   10.800   0.0000   0.0000   18.236   2.5800  ?   ?  0.000000 2.579997 
1 1 1   19   10   35 o   39.394   3.7978  197.500   34.891  197.500   34.891   0.0000   0.0000   39.394   3.7978  ?   ?  0.000000 3.797823 
1 1 1   19   10   36 o   3.6520   1.5473   0.1000   2.3100   0.1000   2.3100   0.0000   0.0000   3.6520   1.5473  ?   ?  0.000000 1.547250 
1 1 1   19   10   37 o   20.334   2.6899   51.700   12.599   51.700   12.599   0.0000   0.0000   20.334   2.6899  ?   ?  0.000000 2.689856 
1 1 1   19   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   10   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11    0 o   3.2106   1.8540   1.5000   2.2723   1.5000   2.2723   1.5000   2.2723   3.2106   1.8540   3.2106   1.8540 0.000000 0.000000 
1 1 1   19   11    1 o   21.696   1.8223   56.078   9.2495   49.600   13.059   62.600   13.103   20.260   2.8049   22.854   2.4672 -2.593967 3.735523 
1 1 1   19   11    2 o   75.890   4.2486  689.326   75.831  794.800  107.253  583.900  107.229   81.103   5.6353   69.131   6.6507 11.97246 8.717147 
1 1 1   19   11    3 o   57.140   3.3300  389.349   44.736  394.000   63.276  384.700   63.257   57.197   4.7274   56.500   4.7863 0.6970787 6.727309 
1 1 1   19   11    4 o   43.360   2.6666  223.779   27.170  213.000   38.387  234.600   38.462   42.102   3.9057   44.236   3.7166 -2.134377 5.391393 
1 1 1   19   11    5 o   75.810   4.2677  688.453   76.086  776.200  107.601  600.700  107.604   80.063   5.7293   70.094   6.5781 9.969231 8.723299 
1 1 1   19   11    6 o   75.176   4.2241  677.093   74.681  696.100  105.635  658.100  105.595   75.692   5.9583   73.521   6.1384 2.170761 8.554601 
1 1 1   19   11    7 o   14.734   1.6567   26.001   5.6641   25.800   8.0351   26.200   7.9857   14.561   2.4219   14.682   2.3852 -0.1207018 3.399272 
1 1 1   19   11    8 o  101.258   5.3176  1237.66  126.701  1456.80  179.341  1019.30  179.024  109.025   7.0032   90.328   8.4929 18.69656 11.00788 
1 1 1   19   11    9 o   55.226   3.2277  364.033   41.908  377.000   59.306  351.100   59.229   55.916   4.5306   53.905   4.7001 2.010624 6.528190 
1 1 1   19   11   10 o   21.623   1.8232   55.732   9.2224   58.900   13.079   52.600   13.006   22.136   2.5486   20.878   2.7015 1.258385 3.714011 
1 1 1   19   11   11 o  137.247   7.7121  2337.42  248.928  2550.50  351.981  2124.20  352.094  140.306   10.705  126.676   11.911 13.63036 16.01403 
1 1 1   19   11   12 o   13.595   1.6266   22.184   5.1184   24.600   7.2624   19.800   7.2147   14.234   2.2342   12.698   2.4951 1.536211 3.349203 
1 1 1   19   11   13 o   70.843   3.9160  602.612   65.255  658.000   92.400  547.500   92.169   73.512   5.3598   66.804   5.9036 6.708694 7.973690 
1 1 1   19   11   14 o   70.232   4.0245  593.180   66.466  658.200   93.976  528.100   94.019   73.447   5.4575   65.454   6.1552 7.992653 8.226256 
1 1 1   19   11   15 o   90.949   4.8577  1002.25  103.947  1162.00  147.141  843.100  146.866   97.017   6.4597   81.825   7.6913 15.19239 10.04411 
1 1 1   19   11   16 f   39.456   2.4776  185.704   22.967  207.800   32.513  163.700   32.446   41.580   3.3396   36.773   3.7909 4.807167 5.052094 
1 1 1   19   11   17 o   33.494   2.2126  133.741   17.401  148.300   24.658  119.300   24.559   35.142   3.0003   31.419   3.3624 3.722942 4.506373 
1 1 1   19   11   18 o   65.688   3.6843  519.079   56.917  577.400   80.578  461.000   80.410   68.771   4.9960   61.133   5.6335 7.637142 7.529736 
1 1 1   19   11   19 o   37.314   2.3192  166.099   20.333  200.400   28.798  132.000   28.713   40.865   3.0054   32.950   3.7575 7.915871 4.811590 
1 1 1   19   11   20 o   85.200   4.7632  885.032   95.445  957.700  135.042  812.500  134.916   87.401   6.5917   80.008   7.2189 7.393547 9.775642 
1 1 1   19   11   21 o   38.101   2.4497  173.560   21.923  194.500   31.034  152.700   30.974   40.146   3.3029   35.420   3.7608 4.726772 5.005300 
1 1 1   19   11   22 o   87.679   5.0702  946.142  104.526  1205.10  147.781  686.900  147.862   97.803   6.4348   71.676   8.9298 26.12701 11.00675 
1 1 1   19   11   23 o   44.291   2.8450  235.777   29.598  254.400   41.717  216.900   41.999   45.666   3.9062   41.998   4.2954 3.667587 5.805926 
1 1 1   19   11   24 o   14.647   1.7040   25.810   5.7833   26.900   8.1413   24.700   8.2169   14.827   2.4079   14.165   2.5503 0.6614532 3.507430 
1 1 1   19   11   25 o   31.581   2.2553  119.666   16.708  127.000   23.524  112.200   23.735   32.311   3.1222   30.275   3.3776 2.035809 4.599577 
1 1 1   19   11   26 o   44.097   2.8729  235.261   29.752  270.100   41.980  200.100   42.173   46.838   3.8291   39.926   4.5547 6.911957 5.950392 
1 1 1   19   11   27 f   27.484   2.0457   90.695   13.181  106.800   18.644   74.600   18.638   29.666   2.6908   24.572   3.2952 5.094179 4.254294 
1 1 1   19   11   28 o   42.628   2.4598  219.149   24.655  275.900   34.992  163.200   34.744   47.547   3.1343   36.050   4.1576 11.49640 5.206669 
1 1 1   19   11   29 o   29.755   2.0867  106.521   14.569  121.200   20.659   92.000   20.548   31.520   2.8050   27.272   3.2551 4.248457 4.296926 
1 1 1   19   11   30 f   26.742   1.9765   86.033   12.393  105.300   17.556   66.900   17.495   29.429   2.5517   23.167   3.2906 6.261898 4.164032 
1 1 1   19   11   31 o   26.944   1.8943   87.244   11.976  105.900   17.032   69.000   16.843   29.528   2.4652   23.586   3.0991 5.942530 3.960015 
1 1 1   19   11   32 o   12.998   1.5480   20.406   4.6578   25.800   6.6791   15.300   6.4989   14.543   1.9977   11.036   2.5457 3.506971 3.236001 
1 1 1   19   11   33 o   8.4759   1.5934   8.8421   3.0720   10.600   4.5762   7.4000   4.1448   9.2104   2.1442   7.7361   2.1771 1.474256 3.055672 
1 1 1   19   11   34 o   7.8624   1.3865   7.5739   2.4802   12.000   3.8036   4.3000   3.2713   9.8855   1.6902   6.0846   1.9831 3.800930 2.605641 
1 1 1   19   11   35 o   25.561   2.9025   81.300   17.209   81.300   17.209   0.0000   0.0000   25.561   2.9025  ?   ?  0.000000 2.902521 
1 1 1   19   11   36 o   23.606   2.8230   69.600   15.424   69.600   15.424   0.0000   0.0000   23.606   2.8230  ?   ?  0.000000 2.822982 
1 1 1   19   11   37 o   26.586   3.0162   89.100   18.600   89.100   18.600   0.0000   0.0000   26.586   3.0162  ?   ?  0.000000 3.016162 
1 1 1   19   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   11   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12    0 o   88.245   7.1281  951.600  146.305  951.600  146.305  951.600  146.305   88.245   7.1281   88.245   7.1281 0.000000 0.000000 
1 1 1   19   12    1 o   99.811   5.5078  1202.23  129.311  1183.30  182.794  1221.20  182.953   97.871   7.9788   99.505   7.8501 -1.633324 11.19311 
1 1 1   19   12    2 o   49.894   2.8966  296.470   33.980  266.300   47.952  326.900   48.158   47.011   4.3697   52.217   3.9345 -5.206600 5.879991 
1 1 1   19   12    3 o   13.866   1.6611   23.064   5.3305   24.300   7.4964   21.800   7.5813   14.138   2.3264   13.347   2.4972 0.7905197 3.412987 
1 1 1   19   12    4 o   85.376   4.7667  876.155   95.715  884.500  135.322  867.800  135.401   85.015   6.7977   84.172   6.8723 0.8432312 9.666246 
1 1 1   19   12    5 o   24.699   1.9397   72.653   11.222   71.900   15.899   73.400   15.842   24.455   2.8040   24.718   2.7612 -0.2634830 3.935276 
1 1 1   19   12    6 o   80.815   4.5076  784.277   85.678  747.900  121.128  820.700  121.205   78.155   6.6257   82.029   6.3056 -3.873589 9.146641 
1 1 1   19   12    7 o   72.662   4.1051  632.799   70.147  628.300   99.189  637.300   99.218   71.839   5.8992   72.371   5.8560 -0.5313721 8.312255 
1 1 1   19   12    8 o   54.814   3.1947  358.620   41.171  381.400   58.263  335.900   58.186   56.263   4.4210   52.702   4.7257 3.561035 6.471334 
1 1 1   19   12    9 o   27.030   1.9368   86.953   12.280  102.600   17.420   71.500   17.312   29.296   2.5434   24.329   3.0827 4.967028 3.996469 
1 1 1   19   12   10 o  105.050   5.5689  1339.47  137.651  1516.90  194.904  1162.90  194.433  110.604   7.5070   96.015   8.6692 14.58921 11.46775 
1 1 1   19   12   11 o   68.674   3.8573  565.731   62.298  655.500   88.137  476.100   88.069   73.516   5.1088   62.246   6.0689 11.27019 7.932989 
1 1 1   19   12   12 o   19.948   1.7491   47.472   8.1556   52.400   11.567   42.600   11.501   20.878   2.3892   18.749   2.6734 2.129366 3.585427 
1 1 1   19   12   13 o   18.403   1.7581   40.464   7.5469   36.600   10.692   44.300   10.654   17.346   2.6980   19.170   2.4066 -1.823923 3.615382 
1 1 1   19   12   14 o   16.136   1.7214   31.179   6.4579   36.900   9.1095   25.400   9.1564   17.492   2.2582   14.370   2.7990 3.121791 3.596403 
1 1 1   19   12   15 o   84.425   4.6879  863.126   93.090  928.400  131.724  798.000  131.575   86.598   6.4888   79.925   7.0436 6.673058 9.576871 
1 1 1   19   12   16 o   42.111   2.5000  211.532   24.749  255.000   35.068  168.400   34.932   46.100   3.2420   37.230   4.0382 8.869774 5.178575 
1 1 1   19   12   17 o   47.260   2.7415  266.833   30.463  312.300   43.161  221.700   43.002   50.930   3.6123   42.674   4.3272 8.255760 5.636754 
1 1 1   19   12   18 o   50.274   3.0161  302.740   35.640  312.700   50.428  292.800   50.377   50.747   4.2473   49.047   4.3963 1.700577 6.112879 
1 1 1   19   12   19 o   30.103   2.0637  108.067   14.581  125.300   20.670   91.000   20.571   32.311   2.7348   27.397   3.2427 4.914932 4.241922 
1 1 1   19   12   20 o   40.841   2.5528  199.466   24.496  222.600   34.668  176.400   34.617   42.938   3.4483   38.067   3.9064 4.870945 5.210603 
1 1 1   19   12   21 o   51.643   2.9802  320.070   36.189  368.100   51.248  272.300   51.109   55.062   3.9681   47.062   4.6603 8.000240 6.120764 
1 1 1   19   12   22 o   69.992   3.9514  594.854   65.039  667.500   92.041  522.400   91.919   73.328   5.3525   64.342   6.1238 8.986496 8.133286 
1 1 1   19   12   23 o   36.782   2.4203  162.136   20.904  194.200   29.569  130.100   29.556   40.073   3.1502   32.519   3.9286 7.554134 5.035604 
1 1 1   19   12   24 o   12.887   1.7522   20.090   5.1939   24.200   7.2271   15.700   7.4695   14.073   2.2506   11.223   2.8215 2.849901 3.609188 
1 1 1   19   12   25 o   11.333   1.7357   15.615   4.4969   19.000   6.2579   12.000   6.4665   12.435   2.2123   9.8428   2.7007 2.591885 3.491111 
1 1 1   19   12   26 o   78.314   4.6878  768.351   86.292  889.000  121.934  647.300  122.136   82.374   6.3167   68.682   7.6613 13.69214 9.929601 
1 1 1   19   12   27 o   56.690   3.3121  392.577   44.144  444.300   62.504  341.100   62.355   59.515   4.4804   51.595   5.1883 7.919529 6.855142 
1 1 1   19   12   28 o   46.642   2.7568  263.833   30.228  316.400   42.838  211.700   42.661   50.630   3.6067   40.868   4.4949 9.761501 5.763033 
1 1 1   19   12   29 o   19.201   1.6657   44.256   7.4777   55.300   10.696   33.700   10.458   21.374   2.1484   16.470   2.7884 4.903402 3.520039 
1 1 1   19   12   30 o   33.023   2.1157  131.303   16.412  164.000   23.280   99.000   23.140   36.706   2.7049   28.140   3.5620 8.565681 4.472678 
1 1 1   19   12   31 o   20.770   1.7966   51.916   8.7249   59.800   12.366   44.100   12.312   22.147   2.4030   18.851   2.8554 3.296879 3.731999 
1 1 1   19   12   32 o   6.6378   1.6729   5.4620   2.6211   4.5000   3.8415   6.3000   3.5853   6.3427   2.1512   7.1548   2.0288 -0.8121772 2.956954 
1 1 1   19   12   33 o   24.721   1.8770   73.596   10.875   85.700   15.447   61.700   15.314   26.496   2.4984   22.281   2.9857 4.215342 3.893101 
1 1 1   19   12   34 o   28.604   1.9508   98.739   13.098  121.900   18.589   75.900   18.459   31.581   2.5135   24.573   3.2618 7.007648 4.117858 
1 1 1   19   12   35 o   26.652   1.9189   85.882   11.996   98.300   17.046   73.700   16.884   28.264   2.5826   24.261   3.0119 4.002590 3.967578 
1 1 1   19   12   36 o   17.559   2.5739   38.500   10.355   38.500   10.355   0.0000   0.0000   17.559   2.5739  ?   ?  0.000000 2.573941 
1 1 1   19   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   12   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13    0 o   64.979   5.4108  513.600   81.698  513.600   81.698  513.600   81.698   64.979   5.4108   64.979   5.4108 0.000000 0.000000 
1 1 1   19   13    1 o   31.660   2.1952  119.300   16.310  112.100   23.066  126.500   23.066   30.535   3.2489   32.491   3.0418 -1.955755 4.450645 
1 1 1   19   13    2 f   71.754   3.9739  616.272   67.070  712.000   94.940  520.900   94.763   76.759   5.2698   65.291   6.2218 11.46863 8.153596 
1 1 1   19   13    3 o   56.208   3.2768  377.036   43.304  367.200   61.198  386.900   61.283   55.146   4.7458   56.648   4.6216 -1.501663 6.624388 
1 1 1   19   13    4 o   55.175   3.2428  363.301   42.064  383.400   59.485  343.200   59.489   56.413   4.5030   53.286   4.7786 3.126987 6.565939 
1 1 1   19   13    5 o   15.607   1.7080   29.162   6.1918   32.300   8.7399   26.000   8.7734   16.346   2.3303   14.580   2.6456 1.765235 3.525589 
1 1 1   19   13    6 o   74.418   4.0820  663.839   71.458  742.000  101.162  586.000  100.953   78.219   5.5123   69.201   6.2453 9.017715 8.329997 
1 1 1   19   13    7 o   97.767   5.4298  1157.40  124.860  1138.60  176.587  1176.20  176.570   95.663   7.8876   97.325   7.7472 -1.662109 11.05589 
1 1 1   19   13    8 f   55.287   3.2418  365.141   42.137  387.500   59.604  342.800   59.578   56.665   4.4912   53.194   4.7947 3.471935 6.569630 
1 1 1   19   13    9 o   32.525   2.2222  125.991   16.964  135.500   24.002  116.500   23.981   33.610   3.0577   31.098   3.3168 2.512411 4.511192 
1 1 1   19   13   10 o   57.106   3.3381  390.095   44.817  398.300   63.401  381.900   63.362   57.337   4.7248   56.105   4.8297 1.232346 6.756449 
1 1 1   19   13   11 o   26.597   2.0023   84.299   12.483   81.200   17.651   87.400   17.657   25.962   2.9305   26.967   2.8143 -1.004835 4.063041 
1 1 1   19   13   12 o   87.028   4.7573  915.857   97.396  1013.40  137.840  818.600  137.637   90.663   6.4812   80.993   7.2741 9.670029 9.742599 
1 1 1   19   13   13 o   86.405   4.4675  901.050   90.840  1080.80  128.665  722.400  128.270   93.955   5.8281   75.995   7.2352 17.95938 9.290633 
1 1 1   19   13   14 o   24.184   1.8951   69.728   10.736   75.100   15.213   64.400   15.152   24.999   2.6158   23.090   2.8387 1.909134 3.860152 
1 1 1   19   13   15 o   41.926   2.5586  209.763   25.209  233.900   35.716  185.800   35.587   44.095   3.4579   39.165   3.8998 4.930012 5.212024 
1 1 1   19   13   16 o   70.676   3.9728  602.019   66.033  654.000   93.457  550.200   93.312   73.027   5.4590   66.695   5.9887 6.331772 8.103430 
1 1 1   19   13   17 o   15.421   1.6178   28.471   5.8035   34.200   8.2652   22.900   8.1507   16.843   2.1255   13.646   2.6248 3.197256 3.377466 
1 1 1   19   13   18 o   43.967   2.6116  230.963   26.993  265.600   38.249  196.600   38.098   46.955   3.4744   40.201   4.0694 6.753956 5.350811 
1 1 1   19   13   19 o   29.029   2.0807  100.580   14.168  108.100   20.064   93.100   20.010   29.960   2.8712   27.735   3.1088 2.225494 4.231794 
1 1 1   19   13   20 o   22.080   1.8426   58.239   9.5191   60.300   13.500   56.200   13.425   22.343   2.6078   21.542   2.6984 0.8010254 3.752564 
1 1 1   19   13   21 o   60.162   3.3635  436.142   47.591  493.100   67.428  379.600   67.181   63.474   4.5283   55.335   5.2025 8.139114 6.897246 
1 1 1   19   13   22 o   19.626   1.7854   46.103   8.1839   51.100   11.570   41.100   11.578   20.558   2.4303   18.339   2.7589 2.219149 3.676701 
1 1 1   19   13   23 f   25.201   1.9881   76.027   11.735   79.900   16.538   72.100   16.653   25.678   2.7714   24.333   2.9593 1.345125 4.054381 
1 1 1   19   13   24 o   33.063   2.2871  131.162   17.747  141.700   25.083  120.600   25.113   34.136   3.1472   31.377   3.4461 2.758816 4.667016 
1 1 1   19   13   25 o   20.699   1.8395   51.407   8.8972   52.100   12.521   50.700   12.645   20.672   2.6241   20.370   2.6950 0.3017654 3.761507 
1 1 1   19   13   26 o   37.701   2.4898  171.362   22.041  173.100   31.067  169.600   31.275   37.498   3.5508   37.086   3.6174 0.4126244 5.068873 
1 1 1   19   13   27 o   29.207   1.9832  102.349   13.597  133.900   19.290   71.200   19.167   33.288   2.4718   23.900   3.4998 9.387142 4.284691 
1 1 1   19   13   28 f   20.400   1.7967   50.020   8.5666   58.700   12.136   41.400   12.094   21.976   2.3765   18.273   2.8997 3.703848 3.749143 
1 1 1   19   13   29 o   31.625   2.0808  120.333   15.452  161.900   21.910   79.200   21.795   36.539   2.5554   25.044   3.8052 11.49541 4.583665 
1 1 1   19   13   30 o   38.665   2.4201  180.867   21.985  225.100   31.138  136.900   31.044   42.833   3.0995   32.877   4.0869 9.955837 5.129303 
1 1 1   19   13   31 o   25.816   1.9639   80.265   11.882   98.300   16.820   62.300   16.788   28.409   2.5339   22.315   3.2840 6.094036 4.147984 
1 1 1   19   13   32 f   20.823   1.7603   52.180   8.5747   60.700   12.214   43.900   12.041   22.314   2.3535   18.808   2.7962 3.506680 3.654834 
1 1 1   19   13   33 o   39.033   2.3924  184.944   21.945  227.800   31.109  142.500   30.960   42.956   3.0875   33.422   4.0025 9.534603 5.054971 
1 1 1   19   13   34 o   31.949   2.1961  123.892   16.467  140.300   23.330  107.600   23.247   33.643   2.9671   29.193   3.4383 4.450138 4.541546 
1 1 1   19   13   35 o   49.389   3.1104  304.170   36.090  328.600   51.019  279.700   51.060   50.098   4.3560   45.729   4.8001 4.368443 6.481964 
1 1 1   19   13   36 o   24.778   2.9010   77.000   16.653   77.000   16.653   0.0000   0.0000   24.778   2.9010  ?   ?  0.000000 2.901035 
1 1 1   19   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   13   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14    0 o   71.098   5.8574  616.100   96.803  616.100   96.803  616.100   96.803   71.098   5.8574   71.098   5.8574 0.000000 0.000000 
1 1 1   19   14    1 o   67.243   3.8424  541.302   60.759  539.200   85.964  543.400   85.890   66.633   5.5130   66.903   5.4849 -0.2704391 7.776694 
1 1 1   19   14    2 f   25.665   1.9698   78.445   11.847   72.500   16.747   84.400   16.760   24.529   2.9505   26.529   2.7137 -1.999975 4.008679 
1 1 1   19   14    3 o   34.150   2.2894  138.846   18.355  129.500   25.953  148.200   25.963   32.806   3.3995   35.160   3.1609 -2.353359 4.642016 
1 1 1   19   14    4 o   43.080   2.6704  221.141   27.032  212.800   38.208  229.500   38.249   42.039   3.8931   43.701   3.7426 -1.662189 5.400328 
1 1 1   19   14    5 o  131.981   7.3451  2148.60  228.006  2144.70  322.483  2152.50  322.415  128.841   10.696  129.102   10.672 -0.2601624 15.10947 
1 1 1   19   14    6 o   51.988   3.0342  322.532   37.087  349.300   52.516  295.900   52.382   53.866   4.1610   49.459   4.5356 4.406841 6.155121 
1 1 1   19   14    7 o   49.099   2.9474  287.686   34.014  301.900   48.127  273.500   48.080   50.056   4.1078   47.574   4.3272 2.481922 5.966478 
1 1 1   19   14    8 o   7.1489   1.7004   6.2929   2.8287   8.4000   3.9184   4.0000   4.0876   8.2569   2.0251   6.2494   2.2136 2.007467 3.000197 
1 1 1   19   14    9 o   24.466   1.9037   71.330   10.912   63.900   15.411   78.800   15.452   22.999   2.9022   25.629   2.5888 -2.629810 3.889012 
1 1 1   19   14   10 o   45.948   2.8142  252.001   30.387  254.400   42.967  249.600   42.980   45.915   4.0030   45.466   4.0456 0.4487724 5.691279 
1 1 1   19   14   11 o   89.757   5.0062  976.634  105.683  938.800  149.426  1014.50  149.490   86.697   7.3688   90.342   7.0636 -3.644897 10.20754 
1 1 1   19   14   12 o   53.187   3.0636  338.183   38.314  367.700   54.292  308.900   54.077   55.176   4.1985   50.432   4.5912 4.744076 6.221476 
1 1 1   19   14   13 o   33.555   2.2742  134.252   17.913  129.200   25.338  139.300   25.328   32.731   3.3244   34.026   3.1896 -1.294735 4.607092 
1 1 1   19   14   14 o   59.164   3.3929  419.727   47.204  454.200   66.828  385.400   66.686   61.147   4.6634   56.147   5.0849 4.999847 6.899581 
1 1 1   19   14   15 o   15.048   1.6551   27.138   5.7838   32.800   8.1884   21.500   8.1707   16.487   2.1548   13.203   2.7115 3.284056 3.463460 
1 1 1   19   14   16 o   71.346   4.0280  614.341   67.584  679.300   95.622  549.500   95.535   74.361   5.4844   66.504   6.1532 7.856789 8.242580 
1 1 1   19   14   17 o   73.803   4.0005  657.568   69.459  776.900   98.326  538.700   98.135   79.618   5.2595   65.642   6.4130 13.97579 8.293913 
1 1 1   19   14   18 o   56.081   3.2958  377.889   43.453  398.400   61.469  357.400   61.435   57.131   4.5953   53.983   4.8720 3.148232 6.697240 
1 1 1   19   14   19 o   40.992   2.4988  200.878   24.073  231.800   34.112  170.200   33.976   43.848   3.3191   37.375   3.9075 6.472904 5.126864 
1 1 1   19   14   20 o   46.787   2.7493  262.278   30.241  314.100   42.817  210.700   42.717   50.969   3.5803   41.417   4.4367 9.551304 5.701150 
1 1 1   19   14   21 o   46.163   2.8596  256.021   31.019  286.700   43.852  225.300   43.882   48.528   3.8587   42.782   4.4068 5.745956 5.857430 
1 1 1   19   14   22 o   47.442   2.8973  270.918   32.302  352.400   45.691  189.500   45.673   53.859   3.6136   38.835   5.1042 15.02391 6.253840 
1 1 1   19   14   23 o   34.851   2.3310  145.684   19.072  155.000   26.996  136.400   26.949   35.701   3.2375   33.400   3.4674 2.300903 4.743876 
1 1 1   19   14   24 o   66.974   3.7997  549.329   59.844  618.600   84.737  480.400   84.527   70.046   5.1593   61.064   5.9371 8.982098 7.865609 
1 1 1   19   14   25 o   37.857   2.5465  172.846   22.632  187.300   31.902  158.200   32.112   39.062   3.4955   35.721   3.8689 3.341434 5.214099 
1 1 1   19   14   26 o   29.229   2.1925  102.801   15.022  117.100   21.170   88.300   21.320   30.988   2.9278   26.695   3.4638 4.293545 4.535408 
1 1 1   19   14   27 o   10.856   1.6764   14.358   4.1591   14.600   5.7935   14.100   5.9743   10.827   2.3348   10.624   2.4337 0.2027893 3.372523 
1 1 1   19   14   28 o   46.973   2.8161  268.293   31.092  325.200   44.031  211.700   43.910   51.232   3.6638   40.691   4.6535 10.54030 5.922711 
1 1 1   19   14   29 o   31.530   2.1775  119.850   16.113  138.300   22.817  101.500   22.756   33.621   2.9025   28.556   3.4443 5.065233 4.504175 
1 1 1   19   14   30 o   22.896   1.8093   63.014   9.7024   75.400   13.798   50.900   13.646   24.909   2.3746   20.256   2.9387 4.653345 3.778193 
1 1 1   19   14   31 o   34.937   2.2872  147.576   18.765  170.100   26.612  125.300   26.464   37.187   3.0576   31.627   3.6081 5.559599 4.729470 
1 1 1   19   14   32 o   10.267   1.6356   12.882   3.8324   15.400   5.5586   10.600   5.2911   11.129   2.1932   9.2009   2.4075 1.927921 3.256712 
1 1 1   19   14   33 o   8.6792   1.6078   9.2763   3.1737   13.700   4.5829   5.2000   4.3993   10.529   1.9137   6.7877   2.3021 3.741595 2.993638 
1 1 1   19   14   34 o   15.321   1.5562   28.332   5.5521   39.000   7.9753   18.300   7.7338   17.913   1.9151   11.991   2.7848 5.922935 3.379721 
1 1 1   19   14   35 o   32.071   2.2717  125.553   17.092  134.200   24.169  116.900   24.176   32.668   3.1731   30.313   3.4383 2.355013 4.678766 
1 1 1   19   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   14   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15    0 o   13.812   2.7043   25.000   7.8536   25.000   7.8536   25.000   7.8536   13.812   2.7043   13.812   2.7043 0.000000 0.000000 
1 1 1   19   15    1 o  123.464   6.7526  1869.60  196.121  1958.80  277.672  1780.80  277.042  124.117   9.5474  117.866   10.050 6.251015 13.86200 
1 1 1   19   15    2 o   61.109   3.4768  446.558   49.963  413.800   70.561  479.500   70.758   58.367   5.1732   62.980   4.7938 -4.613609 7.052838 
1 1 1   19   15    3 o  111.533   6.1153  1517.25  160.443  1643.70  226.987  1391.00  226.814  114.464   8.4578  104.634   9.2760 9.829750 12.55305 
1 1 1   19   15    4 o   52.138   3.0926  324.594   37.905  364.500   53.609  284.700   53.601   55.021   4.1568   48.438   4.7473 6.583809 6.310013 
1 1 1   19   15    5 f   18.416   1.7590   40.510   7.5562   37.200   10.703   43.800   10.669   17.500   2.6750   19.062   2.4252 -1.562038 3.610717 
1 1 1   19   15    6 o   47.443   2.8931  268.661   32.256  254.000   45.635  283.300   45.600   45.832   4.2656   48.485   4.0190 -2.653145 5.860697 
1 1 1   19   15    7 o   67.301   3.8091  543.361   60.287  572.700   85.317  514.100   85.202   68.600   5.3081   64.858   5.6187 3.742004 7.729570 
1 1 1   19   15    8 o   44.946   2.7509  241.037   29.055  252.500   41.114  229.600   41.067   45.784   3.8383   43.598   4.0347 2.186199 5.568786 
1 1 1   19   15    9 o   67.886   3.8746  553.446   61.854  556.200   87.532  550.700   87.418   67.468   5.5432   67.123   5.5655 0.3456726 7.855083 
1 1 1   19   15   10 o   23.338   1.8898   64.950   10.326   70.500   14.602   59.400   14.602   24.222   2.5933   22.164   2.8565 2.057764 3.858139 
1 1 1   19   15   11 o   91.883   5.0062  1024.41  108.208  1132.30  153.168  916.900  152.891   95.525   6.8355   85.382   7.6649 10.14298 10.27004 
1 1 1   19   15   12 o   50.633   3.0053  306.572   35.771  324.300   50.628  288.900   50.547   51.783   4.1758   48.781   4.4367 3.002167 6.092745 
1 1 1   19   15   13 o   66.154   3.5710  525.274   55.578  623.900   78.710  427.200   78.489   71.712   4.6737   58.876   5.7177 12.83573 7.384805 
1 1 1   19   15   14 o   31.619   2.0861  119.125   15.488  138.500   21.975  100.000   21.833   33.996   2.7613   28.752   3.2741 5.244089 4.283054 
1 1 1   19   15   15 o   9.0906   1.6199   10.080   3.3498   12.000   4.8296   8.3000   4.6502   9.8668   2.1349   8.2425   2.3012 1.624373 3.138989 
1 1 1   19   15   16 o   65.992   3.3863  522.693   52.591  656.000   74.574  390.800   74.177   73.591   4.3102   56.189   5.6680 17.40214 7.120703 
1 1 1   19   15   17 o   45.714   2.7718  250.091   29.779  286.600   42.149  213.700   42.080   48.706   3.6922   41.831   4.3224 6.874401 5.684667 
1 1 1   19   15   18 o   13.614   1.6387   22.279   5.1624   25.800   7.3222   18.800   7.2793   14.574   2.1958   12.335   2.5820 2.238967 3.389397 
1 1 1   19   15   19 f   42.968   2.6121  220.978   26.378  255.500   37.342  186.600   37.265   45.988   3.4642   39.072   4.1000 6.915237 5.367574 
1 1 1   19   15   20 o   42.834   2.5166  219.614   25.343  260.200   35.946  179.500   35.736   46.420   3.3009   38.296   4.0114 8.124268 5.194884 
1 1 1   19   15   21 o   20.181   1.8047   48.753   8.5095   51.300   12.026   46.200   12.042   20.575   2.5285   19.476   2.6903 1.099178 3.692013 
1 1 1   19   15   22 f   41.445   2.5235  206.180   24.579  236.300   34.859  176.400   34.662   44.106   3.3726   37.873   3.9331 6.232475 5.181055 
1 1 1   19   15   23 o   61.844   3.5141  465.616   51.107  556.300   72.349  375.300   72.202   66.909   4.6072   54.158   5.7330 12.75178 7.354869 
1 1 1   19   15   24 o   13.386   1.6535   21.620   5.1154   27.500   7.2529   15.800   7.2157   15.037   2.1000   11.241   2.7427 3.795909 3.454354 
1 1 1   19   15   25 o   45.683   2.6409  251.917   28.367  314.700   40.208  189.700   40.026   50.737   3.3753   38.832   4.4452 11.90545 5.581416 
1 1 1   19   15   26 o   34.531   2.3676  143.786   19.189  165.300   27.115  122.200   27.160   36.750   3.1551   31.326   3.7459 5.424101 4.897645 
1 1 1   19   15   27 o   33.419   2.2204  134.524   17.423  160.600   24.676  108.600   24.603   36.284   2.9043   29.525   3.6037 6.758421 4.628342 
1 1 1   19   15   28 o   15.461   1.6437   28.796   5.9091   37.500   8.4077   20.300   8.3067   17.579   2.0647   12.700   2.8410 4.879154 3.511992 
1 1 1   19   15   29 o   68.922   4.2651  598.714   69.073  685.400   97.537  511.500   97.833   71.891   5.7947   60.638   6.9584 11.25311 9.055314 
1 1 1   19   15   30 o   21.585   1.7714   56.007   8.9492   67.800   12.734   44.500   12.579   23.625   2.3124   18.922   2.9084 4.702765 3.715583 
1 1 1   19   15   31 o   7.8533   1.7222   7.6481   3.1058   9.0000   4.5831   6.5000   4.2235   8.4962   2.2491   7.3303   2.2362 1.165909 3.171633 
1 1 1   19   15   32 o   30.730   2.0707  114.006   14.938  141.100   21.202   87.300   21.050   33.968   2.6647   26.338   3.4689 7.629391 4.374285 
1 1 1   19   15   33 o   33.814   2.0679  138.242   16.432  174.900   23.404  102.600   23.077   37.779   2.6400   28.477   3.5060 9.302750 4.388814 
1 1 1   19   15   34 o   39.292   2.4627  188.828   22.734  223.900   32.230  154.100   32.072   42.267   3.2543   34.507   4.0107 7.759392 5.164913 
1 1 1   19   15   35 o   7.2484   2.3147   6.3000   4.4722   6.3000   4.4722   0.0000   0.0000   7.2484   2.3147  ?   ?  0.000000 2.314749 
1 1 1   19   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   15   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16    0 o   54.055   4.6509  355.700   58.355  355.700   58.355  355.700   58.355   54.055   4.6509   54.055   4.6509 0.000000 0.000000 
1 1 1   19   16    1 o  107.760   6.0580  1418.55  153.527  1468.20  216.903  1368.70  217.339  107.850   8.5881  103.825   8.9524 4.024628 12.40565 
1 1 1   19   16    2 o   34.704   2.3296  143.503   18.980  150.200   26.836  136.800   26.848   35.360   3.2503   33.700   3.4213 1.660152 4.719079 
1 1 1   19   16    3 o   37.440   2.4327  167.050   21.391  168.000   30.244  166.100   30.258   37.369   3.4669   37.151   3.4900 0.2187004 4.919277 
1 1 1   19   16    4 o   85.124   4.7357  875.104   94.816  964.300  134.125  786.000  134.056   88.538   6.4599   79.491   7.2206 9.047302 9.688478 
1 1 1   19   16    5 o   15.290   1.6758   28.000   5.9512   28.000   8.4579   28.000   8.3752   15.171   2.4440   15.175   2.4185 -0.4124641E-02 3.438354 
1 1 1   19   16    6 o   68.973   3.9247  571.340   63.657  588.100   90.053  554.600   89.997   69.409   5.5406   67.321   5.7153 2.088081 7.960097 
1 1 1   19   16    7 o   55.536   3.2628  368.997   42.601  373.200   60.269  364.800   60.225   55.485   4.6427   54.837   4.6963 0.6486893 6.603737 
1 1 1   19   16    8 o   66.022   3.7144  523.008   57.672  560.500   81.661  485.700   81.460   67.872   5.1331   63.003   5.5315 4.868977 7.546283 
1 1 1   19   16    9 o   50.153   2.9970  300.636   35.331  286.200   49.942  315.100   49.989   48.587   4.4006   51.062   4.1825 -2.474678 6.071183 
1 1 1   19   16   10 o   97.298   5.3136  1152.89  121.621  1290.80  172.102  1015.30  171.896  101.691   7.2138   89.405   8.2348 12.28672 10.94765 
1 1 1   19   16   11 f   80.729   4.4978  788.092   85.402  853.300  120.830  723.000  120.723   83.148   6.1985   76.177   6.7822 6.971565 9.188059 
1 1 1   19   16   12 o   33.562   2.1527  134.205   16.971  157.200   24.076  111.500   23.924   36.223   2.8375   30.360   3.3953 5.863260 4.424860 
1 1 1   19   16   13 o   80.333   4.2639  779.645   80.594  927.900  114.134  632.200  113.822   86.968   5.5872   71.024   6.8726 15.94423 8.857217 
1 1 1   19   16   14 o   27.051   2.0302   87.300   12.874   98.700   18.207   75.900   18.207   28.663   2.7227   25.019   3.1518 3.644039 4.164983 
1 1 1   19   16   15 o   69.808   3.8173  587.257   62.687  661.300   88.769  513.600   88.537   73.497   5.1473   64.370   5.8900 9.126892 7.822201 
1 1 1   19   16   16 o   52.465   2.9081  329.537   35.887  398.900   50.867  260.800   50.637   57.480   3.7685   46.117   4.7162 11.36308 6.036883 
1 1 1   19   16   17 o   57.791   3.2973  401.512   44.810  444.900   63.472  358.400   63.270   60.396   4.4826   53.949   5.0243 6.446659 6.733292 
1 1 1   19   16   18 f   48.180   2.9452  278.565   33.347  307.900   47.147  249.200   47.171   50.331   3.9999   45.075   4.4916 5.255665 6.014493 
1 1 1   19   16   19 o   13.458   1.6240   21.785   5.0568   25.700   7.1655   17.900   7.1374   14.546   2.1510   12.022   2.5906 2.524199 3.367217 
1 1 1   19   16   20 o   23.861   1.8484   68.031   10.333   83.600   14.670   52.700   14.557   26.371   2.3815   20.741   3.0646 5.630167 3.881108 
1 1 1   19   16   21 o   48.558   2.9245  284.103   33.377  329.200   47.226  239.100   47.177   51.898   3.8817   43.865   4.6243 8.033154 6.037519 
1 1 1   19   16   22 o   20.032   1.7960   48.090   8.4054   51.700   11.904   44.500   11.870   20.641   2.4927   19.079   2.7109 1.562016 3.682748 
1 1 1   19   16   23 o   16.673   1.6485   33.358   6.4053   44.400   9.0969   22.500   9.0205   19.188   2.0389   13.412   2.9302 5.776519 3.569745 
1 1 1   19   16   24 o   60.072   3.5493  441.786   50.124  500.400   70.895  383.200   70.878   63.041   4.7985   54.530   5.5832 8.511013 7.361958 
1 1 1   19   16   25 o   15.184   1.6755   27.769   5.9075   31.200   8.3931   24.400   8.3163   15.980   2.2897   14.025   2.6071 1.955324 3.469771 
1 1 1   19   16   26 o   48.658   3.1135  289.089   35.586  340.000   50.234  237.800   50.420   52.163   4.1116   42.960   5.0678 9.203022 6.525952 
1 1 1   19   16   27 o   15.317   1.7011   28.300   6.0486   31.600   8.5541   25.000   8.5541   16.059   2.3233   14.170   2.6541 1.889097 3.527323 
1 1 1   19   16   28 o   29.300   2.0653  103.343   14.198  122.200   20.137   84.700   20.022   31.661   2.7199   26.104   3.3235 5.556234 4.294539 
1 1 1   19   16   29 o   24.448   1.9395   71.963   11.105   77.600   15.756   66.400   15.654   25.175   2.6922   23.191   2.9234 1.983753 3.974221 
1 1 1   19   16   30 o   30.802   2.2487  114.737   16.243  134.700   22.921   94.600   23.021   33.111   2.9629   27.420   3.6458 5.690411 4.697986 
1 1 1   19   16   31 o   12.712   1.7658   19.670   5.1571   23.700   7.1899   15.400   7.4012   13.855   2.2767   11.039   2.8270 2.816488 3.629766 
1 1 1   19   16   32 o   32.908   2.2626  131.373   17.476  145.300   24.738  117.500   24.690   34.231   3.0939   30.561   3.4837 3.670637 4.659215 
1 1 1   19   16   33 o   15.421   1.6572   28.773   5.9397   35.600   8.5138   22.300   8.2907   17.040   2.1647   13.274   2.7360 3.766041 3.488789 
1 1 1   19   16   34 o   40.259   2.4143  198.219   22.846  241.100   32.494  156.300   32.127   43.891   3.1563   34.707   3.9928 9.183979 5.089659 
1 1 1   19   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   16   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17    0 o   48.943   4.2994  291.600   48.807  291.600   48.807  291.600   48.807   48.943   4.2994   48.943   4.2994 0.000000 0.000000 
1 1 1   19   17    1 f   78.529   4.3730  742.903   80.768  806.400  114.266  679.500  114.181   81.124   6.0076   74.158   6.5891 6.966774 8.916682 
1 1 1   19   17    2 o   32.690   2.1268  127.222   16.328  102.600   23.032  152.100   23.151   29.132   3.4129   35.662   2.7710 -6.530247 4.396144 
1 1 1   19   17    3 o   94.590   5.3525  1087.41  119.064  943.700  168.444  1230.90  168.319   86.339   8.3671   99.527   7.2108 -13.18849 11.04551 
1 1 1   19   17    4 o   76.547   4.3150  705.937   77.678  686.100  109.817  725.800  109.888   74.630   6.2902   76.864   6.1046 -2.233345 8.765425 
1 1 1   19   17    5 o   64.914   3.7106  505.576   56.641  544.400   80.128  466.800   80.078   66.901   5.1108   61.757   5.5505 5.143894 7.545039 
1 1 1   19   17    6 o  100.597   5.5870  1234.17  132.194  1315.20  186.987  1153.20  186.914  102.343   7.7960   95.357   8.3862 6.985664 11.45009 
1 1 1   19   17    7 o   55.458   3.2631  368.146   42.544  381.800   60.175  354.500   60.157   56.116   4.5811   54.001   4.7666 2.115314 6.611109 
1 1 1   19   17    8 o   11.817   1.6387   16.847   4.4498   17.400   6.3114   16.300   6.2746   11.904   2.3286   11.506   2.3876 0.3982153 3.335109 
1 1 1   19   17    9 o   41.235   2.5019  202.788   24.246  226.600   34.370  179.200   34.208   43.426   3.3783   38.489   3.8141 4.936954 5.095129 
1 1 1   19   17   10 o   58.988   3.5068  417.633   48.627  446.600   68.672  388.500   68.867   60.571   4.8417   56.323   5.2381 4.247963 7.132997 
1 1 1   19   17   11 o   58.945   3.2655  416.268   45.275  474.400   64.242  358.900   63.818   62.589   4.3742   54.165   5.0477 8.423920 6.679255 
1 1 1   19   17   12 o   29.889   2.1139  106.535   14.823  120.100   20.974   93.000   20.952   31.624   2.8389   27.713   3.2643 3.911446 4.326122 
1 1 1   19   17   13 o   57.447   3.2739  395.796   44.228  497.600   62.595  294.300   62.500   64.143   4.1550   48.779   5.5234 15.36413 6.911724 
1 1 1   19   17   14 o   34.444   2.1691  141.434   17.552  182.700   24.872  100.500   24.772   39.069   2.7129   28.699   3.7446 10.36974 4.624063 
1 1 1   19   17   15 o   50.186   2.8704  301.527   33.875  363.900   47.973  239.500   47.840   54.901   3.7224   44.193   4.6544 10.70844 5.959843 
1 1 1   19   17   16 o   70.996   3.9663  609.881   66.229  708.400   93.743  511.700   93.581   75.850   5.2664   63.845   6.2889 12.00501 8.202750 
1 1 1   19   17   17 o   38.872   2.4805  180.720   22.650  194.800   32.066  166.700   31.998   40.140   3.4155   37.030   3.7092 3.109470 5.042209 
1 1 1   19   17   18 o   25.823   1.9726   79.680   11.937   95.200   16.893   64.200   16.871   28.133   2.5713   22.919   3.2050 5.213602 4.109006 
1 1 1   19   17   19 o   37.712   2.5016  170.503   22.150  224.000   31.310  116.900   31.340   43.084   3.0982   30.642   4.4624 12.44233 5.432462 
1 1 1   19   17   20 o   51.031   3.1466  314.551   37.733  399.400   53.330  229.500   53.393   57.158   3.9760   42.592   5.4325 14.56567 6.732116 
1 1 1   19   17   21 o   51.044   3.2140  315.647   38.541  417.300   54.453  213.600   54.559   58.340   3.9765   40.739   5.8383 17.60040 7.063836 
1 1 1   19   17   22 o   47.001   3.0660  267.811   33.842  319.200   47.762  216.000   47.958   50.875   4.0082   41.283   5.0231 9.592827 6.426291 
1 1 1   19   17   23 o   26.095   2.0527   81.772   12.546  101.000   17.710   62.400   17.776   28.875   2.6261   22.399   3.4733 6.475775 4.354339 
1 1 1   19   17   24 o   28.577   2.0646   98.066   13.838  131.800   19.594   64.500   19.546   33.022   2.5321   22.650   3.7882 10.37218 4.556571 
1 1 1   19   17   25 o   65.991   4.0506  541.837   62.814  642.800   88.729  440.400   88.936   70.573   5.3644   56.988   6.7395 13.58520 8.613807 
1 1 1   19   17   26 o   23.211   1.8620   64.728   10.120   75.400   14.360   54.200   14.263   24.908   2.4742   20.938   2.9680 3.970230 3.864035 
1 1 1   19   17   27 o   33.424   2.1128  134.400   16.590  172.300   23.555   97.100   23.368   37.663   2.6658   27.856   3.6396 9.806324 4.511425 
1 1 1   19   17   28 o   32.353   2.2335  126.326   16.959  141.900   24.002  110.800   23.965   34.002   3.0208   29.832   3.4666 4.170017 4.598123 
1 1 1   19   17   29 o   41.321   2.3760  206.403   23.086  265.900   32.786  147.900   32.511   46.608   2.9948   34.149   4.1146 12.45942 5.089150 
1 1 1   19   17   30 o   12.448   1.6789   18.816   4.8090   17.200   6.8342   20.400   6.7682   11.708   2.5446   12.826   2.3202 -1.117496 3.443563 
1 1 1   19   17   31 o   5.8037   1.6747   4.1116   2.4223   6.4000   3.5416   2.1000   3.3205   7.1967   2.0079   5.0974   1.9599 2.099335 2.805894 
1 1 1   19   17   32 o   20.991   1.8094   53.209   8.8814   61.300   12.592   45.200   12.528   22.354   2.4244   19.004   2.8822 3.349995 3.766240 
1 1 1   19   17   33 o   36.328   2.3714  161.091   20.231  203.900   28.665  118.600   28.558   40.491   3.0197   30.163   4.1170 10.32750 5.105727 
1 1 1   19   17   34 o   31.060   2.0024  116.992   14.608  145.700   21.107   90.600   20.238   34.364   2.6209   26.722   3.2758 7.641697 4.195270 
1 1 1   19   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   17   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18    0 o   13.549   2.7321   24.200   7.7460   24.200   7.7460   24.200   7.7460   13.549   2.7321   13.549   2.7321 0.000000 0.000000 
1 1 1   19   18    1 o   4.5038   1.4666   2.3091   1.7893   3.2000   2.5177   1.4000   2.5434   5.3125   1.7402   4.3938   1.7081 0.9187431 2.438406 
1 1 1   19   18    2 o   34.114   2.2159  138.629   17.754  171.400   25.154  106.100   25.061   37.851   2.8349   29.569   3.6680 8.282368 4.635829 
1 1 1   19   18    3 o   43.620   2.7084  227.100   27.759  231.000   39.257  223.200   39.257   43.759   3.8379   42.991   3.9097 0.7679901 5.478659 
1 1 1   19   18    4 o   42.360   2.6606  214.158   26.478  231.500   37.437  196.800   37.455   43.847   3.6489   40.325   3.9857 3.522648 5.403673 
1 1 1   19   18    5 o  102.413   5.7239  1282.70  137.869  1286.90  194.971  1278.50  194.981  100.725   8.2703  100.367   8.3014 0.3571930 11.71804 
1 1 1   19   18    6 o   22.454   1.8883   60.160   9.9191   58.700   14.079   61.600   13.978   22.043   2.7657   22.606   2.6700 -0.5629025 3.844219 
1 1 1   19   18    7 o   82.892   4.4821  830.489   87.405  737.000  123.405  924.600  123.815   76.878   6.8702   86.645   6.0903 -9.766991 9.181026 
1 1 1   19   18    8 o   92.059   5.1694  1031.96  111.920  1098.10  158.271  965.800  158.286   93.654   7.2122   87.420   7.7480 6.233330 10.58527 
1 1 1   19   18    9 o   85.361   4.8232  884.723   96.823  924.500  136.889  844.900  136.968   86.123   6.7861   82.084   7.1375 4.039833 9.848569 
1 1 1   19   18   10 o   69.707   3.9867  585.794   65.350  548.500   92.412  623.100   92.426   66.614   5.9371   71.230   5.5385 -4.616508 8.119418 
1 1 1   19   18   11 o   50.643   3.0621  307.174   36.446  362.000   51.531  252.300   51.553   54.724   4.0157   45.362   4.8901 9.361927 6.327682 
1 1 1   19   18   12 o  131.861   7.5079  2196.78  232.805  2483.70  329.249  1909.90  329.224  136.402   10.298  117.071   12.083 19.33060 15.87599 
1 1 1   19   18   13 o   64.391   3.7507  499.789   56.782  512.900   80.185  486.600   80.421   64.583   5.3048   62.813   5.4768 1.770016 7.624672 
1 1 1   19   18   14 o   50.834   2.9975  309.782   35.821  358.900   50.694  260.800   50.624   54.429   3.9717   46.102   4.7166 8.327370 6.166094 
1 1 1   19   18   15 o   27.070   2.0261   87.494   12.857  102.200   18.186   72.800   18.179   29.157   2.6711   24.452   3.2274 4.705795 4.189394 
1 1 1   19   18   16 f   58.460   3.2392  410.956   44.541  509.000   63.070  313.400   62.912   64.718   4.1489   50.203   5.3914 14.51451 6.802932 
1 1 1   19   18   17 o   29.369   2.1102  103.092   14.537  115.600   20.565   90.600   20.552   30.962   2.8445   27.284   3.2541 3.677879 4.322090 
1 1 1   19   18   18 o   30.549   2.1754  111.663   15.590  120.600   22.032  102.700   22.064   31.575   2.9906   29.044   3.2743 2.531212 4.434472 
1 1 1   19   18   19 o   51.927   3.1261  325.540   38.154  418.100   53.960  233.000   53.955   58.513   3.9281   42.917   5.4466 15.59586 6.715337 
1 1 1   19   18   20 o   39.375   2.6118  186.500   24.146  201.300   34.034  171.500   34.264   40.590   3.5878   37.307   3.9494 3.282959 5.335763 
1 1 1   19   18   21 o   7.3607   1.8656   6.6984   3.2469   10.900   4.4050   1.7000   4.8046   9.3830   2.0458   5.7046   2.3053 3.678326 3.082138 
1 1 1   19   18   22 o   53.079   3.2423  342.858   40.444  442.800   57.181  242.800   57.214   59.849   4.0702   43.261   5.7426 16.58883 7.038777 
1 1 1   19   18   23 o   43.234   2.4806  225.148   25.219  323.500   35.730  127.500   35.601   51.652   2.9416   31.510   4.9476 20.14178 5.756029 
1 1 1   19   18   24 o   21.652   1.8454   56.311   9.3453   83.600   13.226   29.100   13.207   26.344   2.1446   15.099   3.7268 11.24552 4.299815 
1 1 1   19   18   25 o   14.026   1.7110   23.780   5.5493   28.200   7.8218   19.300   7.8743   15.176   2.2508   12.402   2.7598 2.773890 3.561313 
1 1 1   19   18   26 o   35.798   2.3470  154.700   19.730  174.500   27.974  135.100   27.832   37.697   3.1720   32.935   3.6395 4.762993 4.827799 
1 1 1   19   18   27 o   15.036   1.6371   27.247   5.7186   36.400   8.1335   18.300   8.0418   17.323   2.0266   12.047   2.8682 5.276516 3.511962 
1 1 1   19   18   28 o   61.271   3.9217  469.310   56.442  571.700   79.624  365.900   80.020   66.386   5.1189   51.386   6.7586 14.99993 8.478351 
1 1 1   19   18   29 o   24.003   1.9390   69.424   10.896   65.800   15.253   73.200   15.570   23.093   2.8583   24.411   2.7490 -1.317919 3.965715 
1 1 1   19   18   30 o   4.4944   1.7033   1.7252   2.4854   4.7000   3.1600  -3.1000   4.0245   6.2681   1.9381   3.9900   1.8396 2.278074 2.672143 
1 1 1   19   18   31 o   15.251   1.8452   28.275   6.5102   34.400   9.0153   21.600   9.4110   16.709   2.3498   12.995   3.1086 3.714268 3.896813 
1 1 1   19   18   32 o   6.8883   1.7547   5.9055   2.8621   6.8000   4.0354   5.0000   4.0601   7.4268   2.1669   6.6063   2.2117 0.8205380 3.096255 
1 1 1   19   18   33 o   9.2530   1.8537   10.652   3.9091   10.700   5.4339   10.600   5.6277   9.2049   2.4549   9.1673   2.5211 0.3754902E-01 3.518844 
1 1 1   19   18   34 o   5.9433   2.0575   3.9000   3.5186   0.0000   0.0000   3.9000   3.5186  ?   ?    5.9433   2.0575 0.000000 2.057471 
1 1 1   19   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   18   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19    0 o   87.954   7.1753  954.800  146.744  954.800  146.744  954.800  146.744   87.954   7.1753   87.954   7.1753 0.000000 0.000000 
1 1 1   19   19    1 o   39.841   2.5437  189.403   23.806  199.500   33.662  179.300   33.672   40.698   3.5379   38.519   3.7495 2.179367 5.155161 
1 1 1   19   19    2 o   58.418   3.2770  408.614   45.022  369.500   63.481  448.200   63.862   55.052   4.9356   60.834   4.4771 -5.781364 6.663697 
1 1 1   19   19    3 o   60.917   3.4589  444.944   49.550  416.900   69.943  473.200   70.206   58.428   5.1211   62.395   4.8018 -3.966949 7.020203 
1 1 1   19   19    4 o   50.688   3.0397  307.348   36.215  304.900   51.197  309.800   51.235   50.141   4.3677   50.555   4.3337 -0.4143257 6.152862 
1 1 1   19   19    5 o   23.397   1.8910   65.296   10.358   64.200   14.622   66.400   14.675   23.069   2.7377   23.474   2.6964 -0.4047451 3.842609 
1 1 1   19   19    6 o   68.228   3.8517  560.084   61.802  642.600   87.437  477.700   87.367   72.585   5.1345   62.146   6.0293 10.43876 7.919326 
1 1 1   19   19    7 o   63.631   3.6725  486.699   54.947  500.100   77.710  473.300   77.702   63.946   5.1912   62.133   5.3481 1.812965 7.453196 
1 1 1   19   19    8 o   32.436   2.2542  125.524   17.158  138.900   24.244  112.100   24.288   33.988   3.0533   30.424   3.4412 3.563873 4.600457 
1 1 1   19   19    9 o   33.872   2.2919  136.895   18.224  135.100   25.738  138.700   25.807   33.462   3.3003   33.917   3.2625 -0.4551735 4.640707 
1 1 1   19   19   10 o  104.465   5.8597  1344.42  143.963  1590.80  203.608  1098.10  203.581  111.958   7.7492   91.268   9.5895 20.69028 12.32919 
1 1 1   19   19   11 o   68.274   3.9299  562.565   63.090  624.500   89.213  500.600   89.234   71.309   5.3368   63.463   6.0268 7.845348 8.050095 
1 1 1   19   19   12 o   36.110   2.3827  155.744   20.203  151.700   28.551  159.800   28.591   35.411   3.4586   36.375   3.3668 -0.9639549 4.826747 
1 1 1   19   19   13 o   6.3658   1.6704   4.9773   2.5425   6.8000   3.5247   3.0000   3.6711   7.4389   1.9739   5.6634   2.0854 1.775487 2.871484 
1 1 1   19   19   14 o   40.489   2.5725  196.141   24.468  201.600   34.633  190.700   34.573   40.789   3.6337   39.633   3.7383 1.156197 5.213355 
1 1 1   19   19   15 f   53.394   3.1189  342.660   39.153  376.900   55.444  308.600   55.298   55.594   4.2558   50.084   4.7318 5.510098 6.364066 
1 1 1   19   19   16 o   16.766   1.7065   33.689   6.6619   37.300   9.4353   30.100   9.4074   17.545   2.3354   15.670   2.6359 1.874643 3.521671 
1 1 1   19   19   17 o   43.822   2.6829  230.488   27.629  267.300   39.106  193.800   39.040   46.925   3.5556   39.678   4.2321 7.247265 5.527466 
1 1 1   19   19   18 o   22.270   1.7907   59.301   9.3375   76.600   13.263   42.300   13.148   25.249   2.2480   18.513   3.1186 6.736204 3.844371 
1 1 1   19   19   19 o   60.978   3.6791  453.209   52.728  490.600   74.412  415.500   74.728   62.586   5.0788   57.215   5.6030 5.371071 7.562236 
1 1 1   19   19   20 o   40.368   2.7794  196.803   26.332  256.800   37.162  136.300   37.318   45.871   3.4561   32.718   4.9881 13.15390 6.068479 
1 1 1   19   19   21 f   42.684   2.7456  220.114   27.526  293.700   38.911  146.400   38.945   49.056   3.3797   33.840   5.0264 15.21597 6.056989 
1 1 1   19   19   22 o   26.296   2.0776   83.102   12.796  108.100   18.060   57.900   18.133   29.882   2.5849   21.472   3.7105 8.409819 4.522150 
1 1 1   19   19   23 o   35.989   2.4809  156.397   20.955  192.200   29.595  120.400   29.675   39.640   3.1886   30.915   4.1714 8.724712 5.250513 
1 1 1   19   19   24 o   43.523   2.7167  229.638   27.781  296.200   39.307  163.200   39.270   49.095   3.4117   35.677   4.7817 13.41798 5.874033 
1 1 1   19   19   25 o   12.375   1.7326   18.602   4.9241   23.600   6.8952   13.400   7.0343   13.872   2.1767   10.348   2.8074 3.523353 3.552377 
1 1 1   19   19   26 o   20.461   1.7362   50.279   8.3091   66.600   11.814   34.300   11.689   23.472   2.1555   16.529   3.1090 6.943384 3.783155 
1 1 1   19   19   27 o   31.847   2.0606  122.037   15.413  156.300   21.899   88.400   21.698   35.867   2.6034   26.574   3.5463 9.293545 4.399277 
1 1 1   19   19   28 o   8.4143   1.6682   8.7356   3.1974   11.000   4.5895   6.6000   4.4571   9.3932   2.1195   7.4159   2.3032 1.977292 3.130048 
1 1 1   19   19   29 o   15.705   1.8091   29.867   6.5866   36.000   9.1938   23.400   9.4407   17.134   2.3330   13.589   3.0205 3.545414 3.816560 
1 1 1   19   19   30 o   11.138   1.7729   15.199   4.5066   19.400   6.3009   10.800   6.4483   12.511   2.2137   9.3241   2.7445 3.187151 3.526031 
1 1 1   19   19   31 o   18.835   1.8233   42.930   8.0076   44.500   11.219   41.300   11.432   18.959   2.5725   18.196   2.7463 0.7634277 3.762936 
1 1 1   19   19   32 o   34.930   2.4030  149.150   19.700  181.800   27.860  116.500   27.860   38.149   3.1200   29.928   4.0460 8.221365 5.109287 
1 1 1   19   19   33 o   11.583   2.6507   17.100   7.0933   0.0000   0.0000   17.100   7.0933  ?   ?    11.583   2.6507 0.000000 2.650687 
1 1 1   19   19   34 o   7.7165   2.4761   7.2000   5.1126   0.0000   0.0000   7.2000   5.1126  ?   ?    7.7165   2.4761 0.000000 2.476052 
1 1 1   19   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   19   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20    0 o   12.154   2.7216   19.900   6.8202   19.900   6.8202   19.900   6.8202   12.154   2.7216   12.154   2.7216 0.000000 0.000000 
1 1 1   19   20    1 o   21.202   1.7550   53.616   8.7077   45.900   12.249   61.500   12.381   19.451   2.7429   22.635   2.3507 -3.184397 3.612422 
1 1 1   19   20    2 o   56.031   3.3049  376.356   43.534  416.400   61.561  336.300   61.570   58.586   4.4839   52.428   5.0353 6.158566 6.742374 
1 1 1   19   20    3 o   23.963   1.9258   68.509   10.805   71.800   15.260   65.200   15.303   24.419   2.6911   23.226   2.8499 1.192085 3.919689 
1 1 1   19   20    4 o   28.834   2.0951   99.152   14.167   96.800   20.042  101.500   20.029   28.330   3.0437   29.032   2.9631 -0.7025681 4.247840 
1 1 1   19   20    5 o   84.186   4.6886  859.906   92.836  822.100  131.128  897.900  131.453   81.043   6.9183   84.927   6.6068 -3.883698 9.566222 
1 1 1   19   20    6 o   53.354   3.1701  341.100   39.760  341.100   56.174  341.100   56.283   52.952   4.5363   52.949   4.5456 0.3070831E-02 6.421867 
1 1 1   19   20    7 o   51.890   3.0882  322.522   37.669  310.000   53.214  335.100   53.331   50.461   4.5136   52.538   4.3376 -2.076241 6.259955 
1 1 1   19   20    8 o   23.341   1.9335   65.044   10.561   70.100   14.871   59.900   15.001   24.124   2.6544   22.225   2.9297 1.898670 3.953370 
1 1 1   19   20    9 o   67.595   3.8848  551.199   61.747  549.200   87.310  553.200   87.336   66.720   5.5933   66.975   5.5729 -0.2547760 7.895730 
1 1 1   19   20   10 o   42.091   2.6812  211.939   26.510  227.800   37.445  196.000   37.538   43.399   3.6889   40.143   4.0139 3.255775 5.451499 
1 1 1   19   20   11 o   95.944   5.4292  1132.76  122.498  1147.70  173.194  1117.80  173.282   94.555   7.8272   93.192   7.9504 1.363213 11.15676 
1 1 1   19   20   12 o   16.709   1.7224   33.445   6.6981   32.900   9.4302   34.000   9.5155   16.438   2.5090   16.721   2.4856 -0.2826405 3.531760 
1 1 1   19   20   13 o   37.927   2.4541  172.018   21.861  191.300   30.942  152.800   30.891   39.802   3.3225   35.429   3.7494 4.373669 5.009706 
1 1 1   19   20   14 o   7.0018   1.6413   6.0463   2.6665   5.9000   3.7248   6.2000   3.8191   7.0066   2.0917   7.1669   2.1128 -0.1602597 2.973129 
1 1 1   19   20   15 o   11.166   1.6806   15.116   4.2937   21.300   6.0890   9.0000   6.0557   13.239   2.0110   8.6866   2.6825 4.552318 3.352586 
1 1 1   19   20   16 o   96.769   5.5255  1170.75  125.737  1358.50  177.841  983.100  177.797  102.021   7.4332   84.873   9.0092 17.14855 11.67981 
1 1 1   19   20   17 o   21.030   1.8324   52.957   9.0085   57.200   12.729   48.700   12.751   21.731   2.5278   19.973   2.7788 1.757917 3.756508 
1 1 1   19   20   18 o   34.693   2.3996  144.539   19.538  167.900   27.578  121.000   27.683   37.181   3.1714   31.312   3.8235 5.869385 4.967647 
1 1 1   19   20   19 o   46.928   2.8190  265.856   31.093  354.700   44.008  177.300   43.937   53.935   3.4739   37.318   5.1210 16.61661 6.188133 
1 1 1   19   20   20 o   50.848   3.1223  313.940   37.308  351.600   52.734  276.200   52.790   53.224   4.2307   46.779   4.8494 6.445072 6.435534 
1 1 1   19   20   21 o   18.730   1.8239   42.176   7.9642   56.100   11.232   28.100   11.294   21.540   2.2411   14.933   3.2915 6.607241 3.982031 
1 1 1   19   20   22 o   14.015   1.6815   23.711   5.4540   22.900   7.5409   24.600   7.8978   13.614   2.4352   14.116   2.4587 -0.5026503 3.460482 
1 1 1   19   20   23 o   44.461   2.7601  239.740   28.835  321.700   40.793  157.900   40.763   51.194   3.3937   34.921   5.0933 16.27378 6.120368 
1 1 1   19   20   24 o   49.252   2.3902  291.690   27.799  439.600   39.497  146.500   39.132   60.273   2.7751   33.561   5.0982 26.71234 5.804562 
1 1 1   19   20   25 o   32.790   2.3552  129.922   18.114  176.600   25.584   83.000   25.651   38.056   2.8681   25.389   4.4403 12.66727 5.285998 
1 1 1   19   20   26 o   45.051   2.4544  245.358   26.012  338.900   36.914  153.100   36.660   52.687   2.9792   34.512   4.6139 18.17508 5.492156 
1 1 1   19   20   27 o   8.6368   1.7121   9.2061   3.3683   12.200   4.7203   6.1000   4.8079   9.9073   2.0837   7.2742   2.4058 2.633035 3.182730 
1 1 1   19   20   28 o   8.8898   1.7180   9.7473   3.4759   9.8000   5.0561   9.7000   4.7864   8.8631   2.3700   8.8139   2.2819 0.4916096E-01 3.289925 
1 1 1   19   20   29 o   23.348   1.8939   65.737   10.351   80.700   14.646   50.800   14.633   25.718   2.4409   20.103   3.1889 5.614288 4.015826 
1 1 1   19   20   30 o   16.713   1.8665   33.910   7.2405   39.200   10.007   28.100   10.489   17.824   2.4419   14.850   3.0916 2.973870 3.939691 
1 1 1   19   20   31 o   66.595   4.2000  573.002   65.709  618.400   92.672  527.100   93.185   66.370   5.9772   60.117   6.6771 6.253555 8.961580 
1 1 1   19   20   32 o   18.969   2.7699   45.100   12.041   0.0000   0.0000   45.100   12.041  ?   ?    18.969   2.7699 0.000000 2.769898 
1 1 1   19   20   33 o   18.974   2.7424   45.300   11.931   0.0000   0.0000   45.300   11.931  ?   ?    18.974   2.7424 0.000000 2.742423 
1 1 1   19   20   34 o   21.300   2.9396   57.600   14.392   0.0000   0.0000   57.600   14.392  ?   ?    21.300   2.9396 0.000000 2.939611 
1 1 1   19   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   20   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21    0 f   37.201   3.5666  169.000   30.670  169.000   30.670  169.000   30.670   37.201   3.5666   37.201   3.5666 0.000000 0.000000 
1 1 1   19   21    1 o   94.014   5.2965  1080.15  117.103  1042.70  165.616  1117.60  165.602   90.589   7.8188   94.050   7.5195 -3.460579 10.84790 
1 1 1   19   21    2 o   16.585   1.7459   32.945   6.7345   36.000   9.4551   29.800   9.5945   17.245   2.3858   15.603   2.7018 1.641499 3.604421 
1 1 1   19   21    3 o   51.083   3.0095  312.378   36.142  265.900   51.073  359.000   51.151   46.644   4.7010   54.499   4.0027 -7.854706 6.174256 
1 1 1   19   21    4 o   23.457   1.9240   65.677   10.563   77.100   14.921   54.200   14.956   25.336   2.5277   21.091   3.0951 4.245077 3.996073 
1 1 1   19   21    5 o   26.935   2.0389   86.570   12.872   91.500   18.168   81.600   18.241   27.566   2.8313   25.976   3.0307 1.589025 4.147429 
1 1 1   19   21    6 o   26.595   1.9107   84.310   11.919   69.900   16.748   99.100   16.967   24.015   3.0201   28.751   2.5246 -4.736023 3.936306 
1 1 1   19   21    7 o   37.646   2.4486  169.293   21.649  187.100   30.622  151.500   30.611   39.400   3.3223   35.328   3.7256 4.072742 4.991797 
1 1 1   19   21    8 o   46.579   2.8762  259.875   31.481  275.500   44.485  244.200   44.557   47.658   3.9896   44.763   4.2671 2.894917 5.841675 
1 1 1   19   21    9 o   25.488   1.9837   77.565   11.845   85.100   16.735   70.000   16.768   26.584   2.7034   24.021   3.0232 2.563715 4.055686 
1 1 1   19   21   10 o   25.379   1.9827   76.916   11.788   79.900   16.627   73.900   16.714   25.732   2.7806   24.707   2.9214 1.024727 4.033175 
1 1 1   19   21   11 o   37.422   2.3371  167.277   20.549  210.100   29.119  124.800   29.001   41.819   2.9681   31.936   3.9286 9.882830 4.923744 
1 1 1   19   21   12 o   50.984   3.0609  312.388   36.681  308.100   51.802  316.700   51.947   50.160   4.4186   50.882   4.3658 -0.7212257 6.211588 
1 1 1   19   21   13 o   49.360   3.0163  293.028   34.988  307.000   49.432  279.000   49.530   50.099   4.2177   47.649   4.4537 2.449997 6.133910 
1 1 1   19   21   14 o   16.410   1.7143   32.300   6.5445   32.200   9.2349   32.400   9.2759   16.245   2.4865   16.296   2.4895 -0.5082703E-01 3.518541 
1 1 1   19   21   15 o   10.551   1.6466   13.521   3.9683   14.900   5.6732   12.200   5.5528   10.983   2.2627   9.9156   2.3978 1.067726 3.296889 
1 1 1   19   21   16 o   24.104   1.9364   69.558   10.929   77.900   15.448   61.200   15.463   25.381   2.6149   22.374   3.0025 3.007195 3.981597 
1 1 1   19   21   17 o   12.961   1.8070   20.354   5.3799   29.900   7.5300   10.400   7.6893   15.705   2.0817   9.4106   3.0383 6.294550 3.683091 
1 1 1   19   21   18 o   30.772   2.2077  113.675   15.935  115.500   22.387  111.800   22.687   30.769   3.1245   30.236   3.2274 0.5337811 4.492108 
1 1 1   19   21   19 f   42.631   2.3689  218.279   23.753  293.000   33.838  145.700   33.350   49.202   2.9257   34.139   4.2273 15.06307 5.140985 
1 1 1   19   21   20 o   36.384   2.4693  159.577   21.090  169.300   29.710  149.700   29.943   37.138   3.4264   34.793   3.7014 2.344624 5.043871 
1 1 1   19   21   21 o   27.390   2.1132   90.241   13.562  112.200   19.140   68.100   19.220   30.394   2.6947   23.337   3.6038 7.057661 4.499861 
1 1 1   19   21   22 o   41.595   2.6442  209.434   25.837  261.300   36.544  157.600   36.533   46.133   3.3781   35.231   4.4937 10.90199 5.621870 
1 1 1   19   21   23 o   6.1670   1.7736   4.6370   2.7210   9.7000   3.7333  -1.1000   3.9740   8.8550   1.8453   4.4328   1.9527 4.422196 2.686634 
1 1 1   19   21   24 o   27.561   2.1556   91.591   13.917  114.500   19.622   68.400   19.743   30.650   2.7400   23.295   3.7137 7.355055 4.615090 
1 1 1   19   21   25 f   15.076   1.7860   27.497   6.2344   48.100   8.7857   6.6000   8.8482   19.976   1.8848   8.4993   3.2156 11.47706 3.727287 
1 1 1   19   21   26 o   30.750   2.0597  113.813   14.869  140.800   21.102   87.200   20.955   34.015   2.6481   26.432   3.4389 7.583052 4.340295 
1 1 1   19   21   27 o   29.584   2.1229  105.576   14.732  131.600   20.843   79.600   20.824   32.837   2.7123   25.146   3.6106 7.691540 4.515900 
1 1 1   19   21   28 o   4.9132   1.5837   2.8000   2.0897   4.4000   2.9553   1.2000   2.9553   6.0668   1.8740   4.5340   1.8165 1.532728 2.609914 
1 1 1   19   21   29 o   20.688   1.7270   51.559   8.3597   73.700   11.888   29.900   11.758   24.667   2.0598   15.258   3.3548 9.408966 3.936701 
1 1 1   19   21   30 o   44.850   2.4965  245.556   26.334  323.100   37.399  169.300   37.088   51.007   3.1201   35.929   4.4678 15.07741 5.449448 
1 1 1   19   21   31 o   3.6331   1.6152  -1.0000   2.7808   0.0000   0.0000  -1.0000   2.7808  ?   ?    3.6331   1.6152 0.000000 1.615186 
1 1 1   19   21   32 f   41.606   4.1124  226.900   39.875   0.0000   0.0000  226.900   39.875  ?   ?    41.606   4.1124 0.000000 4.112443 
1 1 1   19   21   33 o   17.852   2.7079   40.200   11.057   0.0000   0.0000   40.200   11.057  ?   ?    17.852   2.7079 0.000000 2.707877 
1 1 1   19   21   34 f   21.624   2.8963   59.300   14.417   0.0000   0.0000   59.300   14.417  ?   ?    21.624   2.8963 0.000000 2.896335 
1 1 1   19   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   21   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22    0 o   52.176   4.5480  332.700   55.055  332.700   55.055  332.700   55.055   52.176   4.5480   52.176   4.5480 0.000000 0.000000 
1 1 1   19   22    1 o   21.108   1.8602   53.238   9.1773   47.500   13.023   58.900   12.935   19.756   2.8759   22.107   2.5230 -2.351685 3.825804 
1 1 1   19   22    2 o   4.9959   1.5094   2.9724   1.9311  -0.3000   2.6811   6.5000   2.7837   3.8053   1.6407   7.2633   1.6594 -3.457928 2.333569 
1 1 1   19   22    3 o   70.344   4.0581  598.339   67.122  563.900   94.979  632.700   94.871   67.330   6.0380   71.561   5.6605 -4.230797 8.276438 
1 1 1   19   22    4 o   26.852   2.0312   86.064   12.784   91.500   18.057   80.600   18.102   27.559   2.8141   25.805   3.0284 1.753868 4.134045 
1 1 1   19   22    5 o  105.556   5.9741  1380.71  148.297  1392.40  209.634  1369.00  209.814  103.372   8.6681  102.393   8.7621 0.9798203 12.32515 
1 1 1   19   22    6 o   21.575   1.8481   55.608   9.3247   59.100   13.172   52.100   13.202   22.131   2.5682   20.723   2.7670 1.408016 3.775179 
1 1 1   19   22    7 o   37.387   2.4213  167.031   21.261  181.100   30.088  153.000   30.047   38.738   3.3214   35.504   3.6352 3.234020 4.924022 
1 1 1   19   22    8 o   68.061   3.9301  560.465   62.894  567.900   88.853  553.000   89.037   67.678   5.6104   66.725   5.7058 0.9532394 8.002090 
1 1 1   19   22    9 o   16.959   1.7262   34.454   6.8163   34.900   9.5962   34.000   9.6838   16.944   2.4710   16.708   2.5340 0.2364693 3.539367 
1 1 1   19   22   10 o   64.010   3.7376  495.777   56.248  504.100   79.420  487.400   79.674   63.767   5.3231   62.629   5.4415 1.138218 7.612126 
1 1 1   19   22   11 o   42.724   2.6943  218.914   27.042  236.000   38.228  201.800   38.259   44.067   3.7081   40.616   4.0428 3.451965 5.485859 
1 1 1   19   22   12 o   67.269   3.8803  549.882   61.375  574.600   86.830  525.200   86.766   67.841   5.4665   64.662   5.7422 3.178841 7.928157 
1 1 1   19   22   13 o   46.015   2.8273  254.590   30.573  248.700   43.201  260.500   43.271   45.031   4.1080   46.133   4.0121 -1.102360 5.742151 
1 1 1   19   22   14 o   64.551   3.8046  507.651   57.737  524.700   81.530  490.500   81.776   64.646   5.3900   62.334   5.6160 2.312355 7.784089 
1 1 1   19   22   15 f   21.634   1.8653   56.070   9.4359   49.300   13.364   62.800   13.325   20.060   2.9060   22.777   2.5196 -2.717699 3.846190 
1 1 1   19   22   16 o   62.111   3.6182  470.609   52.837  525.400   74.751  415.900   74.694   64.773   4.9241   57.107   5.6115 7.665634 7.465632 
1 1 1   19   22   17 o   24.681   2.0652   73.161   11.926   93.900   16.801   52.100   16.931   27.861   2.5830   20.397   3.6491 7.464455 4.470797 
1 1 1   19   22   18 o   45.560   2.8380  251.052   30.380  251.600   42.897  250.500   43.032   45.049   4.0767   44.938   4.1004 0.1114159 5.782136 
1 1 1   19   22   19 o   24.408   1.9901   71.559   11.370   93.500   16.059   49.500   16.102   27.806   2.4715   19.861   3.5642 7.944601 4.337311 
1 1 1   19   22   20 o   54.912   3.1609  367.500   40.814  463.300   57.811  272.300   57.630   61.096   4.0298   45.857   5.4273 15.23891 6.759822 
1 1 1   19   22   21 o   10.629   1.8054   13.834   4.3689   22.100   6.0953   5.1000   6.2654   13.464   1.9760   7.3328   2.7198 6.130811 3.361856 
1 1 1   19   22   22 f   26.817   2.0649   86.542   12.975  111.800   18.334   61.200   18.365   30.350   2.5828   22.049   3.6553 8.300951 4.475737 
1 1 1   19   22   23 o   2.5371   1.1234  -0.4582   1.3320   3.0000   1.7678  -5.0000   2.0259   4.9696   1.4297   2.1128   1.0497 2.856762 1.773688 
1 1 1   19   22   24 o   29.615   3.1065  108.000   21.401  108.000   21.401   0.0000   0.0000   29.615   3.1065  ?   ?  0.000000 3.106528 
1 1 1   19   22   25 o   25.308   1.9113   77.015   11.338  100.900   16.081   53.400   15.989   28.854   2.3814   20.611   3.4041 8.242939 4.154361 
1 1 1   19   22   26 o   14.427   1.6873   25.159   5.6396   27.300   7.9592   23.000   7.9922   14.888   2.3412   13.580   2.5868 1.308098 3.488953 
1 1 1   19   22   27 o   22.197   1.8483   59.355   9.5996   71.800   13.601   47.000   13.551   24.271   2.4047   19.382   3.0625 4.888332 3.893814 
1 1 1   19   22   28 o   29.730   2.0145  106.695   14.058  142.500   19.953   71.400   19.811   34.190   2.4885   23.669   3.6628 10.52160 4.428216 
1 1 1   19   22   29 o   11.407   1.6942   15.900   4.4249   16.600   6.2577   15.200   6.2577   11.500   2.3827   10.978   2.4733 0.5224142 3.434340 
1 1 1   19   22   30 o   15.296   2.4987   29.200   8.7136   0.0000   0.0000   29.200   8.7136  ?   ?    15.296   2.4987 0.000000 2.498652 
1 1 1   19   22   31 o   28.354   3.1700  101.500   20.861   0.0000   0.0000  101.500   20.861  ?   ?    28.354   3.1700 0.000000 3.170040 
1 1 1   19   22   32 o   23.532   2.9144   69.800   15.848   0.0000   0.0000   69.800   15.848  ?   ?    23.532   2.9144 0.000000 2.914376 
1 1 1   19   22   33 o   4.4385   1.9460  -0.8000   3.9058   0.0000   0.0000  -0.8000   3.9058  ?   ?    4.4385   1.9460 0.000000 1.945978 
1 1 1   19   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   22   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23    0 o   2.5830   1.6060   0.5000   1.9730   0.5000   1.9730   0.5000   1.9730   2.5830   1.6060   2.5830   1.6060 0.000000 0.000000 
1 1 1   19   23    1 o   26.281   2.0213   82.474   12.448   75.200   17.633   89.700   17.574   24.899   3.0637   27.287   2.7657 -2.387243 4.127362 
1 1 1   19   23    2 o   47.195   2.8361  266.779   31.460  309.300   44.528  224.400   44.454   50.568   3.7558   42.807   4.4635 7.761581 5.833440 
1 1 1   19   23    3 o   16.580   1.7264   32.940   6.6602   35.000   9.4422   30.900   9.3958   16.982   2.4233   15.905   2.5909 1.077295 3.547580 
1 1 1   19   23    4 o   91.348   5.1497  1024.54  110.630  1064.40  156.564  984.800  156.344   91.365   7.3183   87.581   7.6362 3.784454 10.57684 
1 1 1   19   23    5 o   80.782   4.3212  793.107   82.130  905.500  116.590  682.400  115.713   85.362   5.8188   73.420   6.7498 11.94158 8.911719 
1 1 1   19   23    6 o  107.889   6.1608  1455.27  156.303  1472.60  220.908  1437.90  221.185  105.348   8.9655  103.916   9.1057 1.431442 12.77865 
1 1 1   19   23    7 o   47.703   2.9776  273.342   33.374  301.000   47.119  245.500   47.276   49.718   4.0487   44.689   4.5432 5.028610 6.085416 
1 1 1   19   23    8 o   22.543   1.8798   60.755   9.9156   61.500   13.981   60.000   14.065   22.540   2.6791   22.249   2.7348 0.2916794 3.828405 
1 1 1   19   23    9 o   9.0976   1.7570   10.153   3.6379   12.200   5.0256   7.9000   5.2728   9.9332   2.2005   8.1383   2.5014 1.794931 3.331587 
1 1 1   19   23   10 o   52.075   3.1246  326.749   38.245  325.500   54.056  328.000   54.116   51.429   4.4963   51.634   4.4830 -0.2044487 6.349333 
1 1 1   19   23   11 o   39.007   2.3137  182.037   21.216  233.500   30.082  131.100   29.928   44.037   2.9092   32.634   3.9651 11.40258 4.917851 
1 1 1   19   23   12 o   58.761   3.4688  418.604   47.917  424.500   67.743  412.700   67.788   58.393   4.9599   57.522   5.0415 0.8708153 7.072330 
1 1 1   19   23   13 f   33.334   2.2853  133.209   17.880  140.300   25.270  126.100   25.303   33.977   3.1868   32.137   3.3852 1.839710 4.649190 
1 1 1   19   23   14 o   25.271   1.9755   76.509   11.695   78.500   16.503   74.500   16.576   25.420   2.7954   24.732   2.8930 0.6883907 4.022913 
1 1 1   19   23   15 o   63.250   3.6447  488.655   54.206  531.900   76.743  445.600   76.574   65.034   5.0366   59.111   5.5509 5.922768 7.495360 
1 1 1   19   23   16 o   16.353   1.8099   32.209   6.8719   39.500   9.6163   24.600   9.8236   18.031   2.3118   14.014   3.0549 4.017005 3.831018 
1 1 1   19   23   17 o   12.496   1.6905   18.905   4.8602   19.100   6.7870   18.700   6.9633   12.423   2.4005   12.273   2.4879 0.1500969 3.457134 
1 1 1   19   23   18 o   36.879   2.4372  163.894   21.105  193.500   29.850  134.300   29.844   39.804   3.2029   32.830   3.9276 6.974133 5.068014 
1 1 1   19   23   19 o   9.8893   1.7527   11.989   3.9431   13.200   5.3945   10.600   5.7781   10.300   2.2784   9.2466   2.5593 1.053036 3.426554 
1 1 1   19   23   20 o   48.329   3.1178  285.065   35.391  331.600   49.936  238.100   50.166   51.518   4.1398   43.044   5.0305 8.474380 6.514877 
1 1 1   19   23   21 o   24.007   2.0172   69.387   11.330   80.100   15.922   58.400   16.125   25.631   2.6699   21.667   3.2521 3.964094 4.207665 
1 1 1   19   23   22 o   22.713   1.8523   61.979   9.8479   81.200   13.972   43.000   13.883   25.905   2.3082   18.511   3.2970 7.394154 4.024658 
1 1 1   19   23   23 o   19.131   1.8612   44.117   8.3017   55.000   11.679   33.000   11.803   21.259   2.3666   16.180   3.2025 5.078846 3.982080 
1 1 1   19   23   24 o   11.429   1.6492   15.880   4.3220   27.100   6.1456   4.9000   6.0795   14.967   1.7733   7.1989   2.6774 7.768074 3.211397 
1 1 1   19   23   25 f   29.210   2.1814  103.016   14.938  115.700   21.071   90.200   21.181   30.699   2.9428   26.892   3.4123 3.806696 4.505932 
1 1 1   19   23   26 o   4.1810   1.5486   1.6176   2.0298   1.4000   3.0055   1.8000   2.7523   4.6455   1.8414   4.6768   1.7877 -0.3127813E-01 2.566406 
1 1 1   19   23   27 o   13.692   1.7110   22.752   5.4114   22.500   7.6892   23.000   7.6171   13.417   2.5195   13.583   2.4657 -0.1659641 3.525243 
1 1 1   19   23   28 o   17.665   1.6961   37.674   6.9878   46.700   9.9528   28.900   9.8132   19.552   2.1936   15.133   2.8508 4.419093 3.597042 
1 1 1   19   23   29 o   9.0016   2.3329   10.200   4.9995   0.0000   0.0000   10.200   4.9995  ?   ?    9.0016   2.3329 0.000000 2.332906 
1 1 1   19   23   30 o   8.7866   2.4673   9.7000   5.3296   0.0000   0.0000   9.7000   5.3296  ?   ?    8.7866   2.4673 0.000000 2.467292 
1 1 1   19   23   31 o   9.2474   2.6840   10.800   6.2060   0.0000   0.0000   10.800   6.2060  ?   ?    9.2474   2.6840 0.000000 2.684043 
1 1 1   19   23   32 o   9.9605   2.6560   12.700   6.3616   0.0000   0.0000   12.700   6.3616  ?   ?    9.9605   2.6560 0.000000 2.656049 
1 1 1   19   23   33 o   23.068   2.9417   67.500   15.659   0.0000   0.0000   67.500   15.659  ?   ?    23.068   2.9417 0.000000 2.941704 
1 1 1   19   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   23   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24    0 o   39.483   3.7206  190.800   33.980  190.800   33.980  190.800   33.980   39.483   3.7206   39.483   3.7206 0.000000 0.000000 
1 1 1   19   24    1 o   33.208   2.2715  131.838   17.705  136.100   25.075  127.600   25.003   33.541   3.2049   32.441   3.3103 1.099907 4.607548 
1 1 1   19   24    2 o   64.207   3.7036  498.706   55.914  477.600   78.993  519.900   79.157   61.973   5.4534   64.813   5.2163 -2.840065 7.546478 
1 1 1   19   24    3 o   45.319   2.7780  246.337   29.585  227.300   41.771  265.500   41.908   43.109   4.1549   46.735   3.8312 -3.626205 5.651633 
1 1 1   19   24    4 f   48.747   2.9471  285.481   33.764  295.400   48.041  275.800   47.463   49.169   4.1772   47.459   4.2813 1.710716 5.981498 
1 1 1   19   24    5 o   65.243   3.4469  513.725   52.914  606.400   75.296  423.300   74.376   70.342   4.5576   58.241   5.4722 12.10089 7.121605 
1 1 1   19   24    6 o   56.817   3.3647  389.706   44.941  405.800   63.545  373.600   63.569   57.379   4.7322   54.930   4.9542 2.448353 6.851051 
1 1 1   19   24    7 o   29.847   2.1500  106.566   15.052  111.200   21.251  101.900   21.322   30.309   3.0090   28.962   3.1695 1.346968 4.370356 
1 1 1   19   24    8 o   66.846   3.9002  543.779   61.297  569.400   86.637  518.100   86.736   67.445   5.4875   64.112   5.7918 3.333092 7.978610 
1 1 1   19   24    9 o   82.121   4.7387  832.531   91.502  847.000  129.264  818.000  129.543   80.986   6.8229   79.426   6.9777 1.559174 9.759163 
1 1 1   19   24   10 f   10.504   1.6166   13.395   3.8813   21.800   5.6334   5.8000   5.3550   13.423   1.8245   7.3295   2.5382 6.093970 3.125884 
1 1 1   19   24   11 o   79.096   4.5706  772.961   85.004  788.800  120.173  757.100  120.255   78.094   6.5780   76.336   6.7405 1.757195 9.418292 
1 1 1   19   24   12 o   11.816   1.6857   16.916   4.5699   23.700   6.4555   10.100   6.4703   13.965   2.0159   9.1367   2.7635 4.828728 3.420673 
1 1 1   19   24   13 o   26.833   2.0609   86.342   12.959   76.700   18.367   95.900   18.286   25.008   3.1824   28.115   2.7912 -3.107100 4.233022 
1 1 1   19   24   14 o   10.175   1.7614   12.662   4.0789   16.500   5.6549   8.5000   5.8892   11.577   2.1476   8.4507   2.6513 3.126698 3.411929 
1 1 1   19   24   15 o   34.612   2.3534  144.068   19.120  146.400   26.937  141.700   27.144   34.579   3.3406   33.981   3.4297 0.5970688 4.787740 
1 1 1   19   24   16 o   13.650   1.5958   22.444   5.0467   17.300   6.9449   28.200   7.3461   11.780   2.5690   15.227   2.0988 -3.447030 3.317339 
1 1 1   19   24   17 o   71.218   4.1447  629.836   69.401  750.800   98.173  509.000   98.121   76.408   5.4775   61.428   6.8827 14.97988 8.796298 
1 1 1   19   24   18 o   29.047   2.1825  101.558   14.861  116.000   20.939   86.900   21.094   30.836   2.9100   26.468   3.4577 4.367601 4.519284 
1 1 1   19   24   19 o   87.144   5.2664  975.225  107.863  1036.30  152.323  913.800  152.759   86.300   7.5507   79.953   8.2076 6.346794 11.15247 
1 1 1   19   24   20 o   37.463   2.4876  169.622   21.881  197.400   30.932  141.800   30.957   40.090   3.2967   33.634   3.9745 6.455551 5.163840 
1 1 1   19   24   21 o   16.272   1.7783   31.943   6.7217   44.700   9.4716   19.000   9.5405   19.206   2.1240   12.259   3.2449 6.946454 3.878233 
1 1 1   19   24   22 o   9.0132   1.6424   9.9729   3.3668   7.9000   4.6295   12.300   4.9052   8.0194   2.3155   9.9441   2.1515 -1.924680 3.160750 
1 1 1   19   24   23 o   13.075   1.9915   20.909   5.9543   35.300   8.2805   5.5000   8.5683   17.038   2.1028   8.1366   3.1429 8.900960 3.781501 
1 1 1   19   24   24 o   16.294   1.7616   32.053   6.6701   46.100   9.4151   17.900   9.4509   19.504   2.0762   11.894   3.2655 7.610188 3.869622 
1 1 1   19   24   25 o   48.470   2.8537  287.119   32.518  341.700   46.086  233.000   45.891   52.257   3.7599   42.472   4.6518 9.784611 5.981306 
1 1 1   19   24   26 o   9.5475   1.6801   11.204   3.6494   11.800   5.1448   10.600   5.1775   9.6994   2.2840   9.1926   2.3700 0.5067978 3.291472 
1 1 1   19   24   27 o   9.5867   1.7488   11.337   3.8129   12.700   5.2380   9.8000   5.5610   10.061   2.2601   8.8641   2.5313 1.196462 3.393406 
1 1 1   19   24   28 o   8.9188   2.3831  10.0000   5.1147   0.0000   0.0000  10.0000   5.1147  ?   ?    8.9188   2.3831 0.000000 2.383120 
1 1 1   19   24   29 o   14.204   2.5077   25.300   8.1037   0.0000   0.0000   25.300   8.1037  ?   ?    14.204   2.5077 0.000000 2.507689 
1 1 1   19   24   30 o   35.304   3.6135  160.200   29.700   0.0000   0.0000  160.200   29.700  ?   ?    35.304   3.6135 0.000000 3.613499 
1 1 1   19   24   31 o   30.923   3.3606  122.400   24.144   0.0000   0.0000  122.400   24.144  ?   ?    30.923   3.3606 0.000000 3.360609 
1 1 1   19   24   32 o   33.384   3.5528  144.200   27.576   0.0000   0.0000  144.200   27.576  ?   ?    33.384   3.5528 0.000000 3.552778 
1 1 1   19   24   33 o   22.671   2.9006   65.200   15.172   0.0000   0.0000   65.200   15.172  ?   ?    22.671   2.9006 0.000000 2.900605 
1 1 1   19   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   24   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25    0 o   29.937   3.1618  110.200   21.781  110.200   21.781  110.200   21.781   29.937   3.1618   29.937   3.1618 0.000000 0.000000 
1 1 1   19   25    1 o   32.695   2.1778  127.816   16.718  144.900   23.737  111.000   23.550   34.654   2.9282   30.188   3.3607 4.465788 4.457372 
1 1 1   19   25    2 o   56.087   3.3131  379.872   43.685  400.300   61.822  359.500   61.738   56.986   4.6344   53.847   4.9094 3.138229 6.751242 
1 1 1   19   25    3 o   30.959   2.1949  114.703   15.942  106.200   22.549  123.200   22.541   29.534   3.2892   31.904   3.0283 -2.370604 4.470942 
1 1 1   19   25    4 o   56.861   3.3644  390.936   44.973  402.000   63.642  379.900   63.561   56.997   4.7725   55.321   4.9169 1.675900 6.852190 
1 1 1   19   25    5 o   60.162   3.5209  438.664   49.802  447.000   70.585  430.400   70.277   59.940   5.0335   58.761   5.1158 1.179096 7.176898 
1 1 1   19   25    6 o   51.576   2.9329  320.244   35.572  404.600   50.398  236.500   50.215   57.666   3.7209   43.490   4.9795 14.17670 6.216140 
1 1 1   19   25    7 o   65.093   3.8135  516.224   58.360  490.900   82.572  541.500   82.495   62.323   5.6728   65.701   5.3642 -3.377296 7.807413 
1 1 1   19   25    8 o   28.868   2.0544   99.735   13.913  113.300   19.761   86.400   19.592   30.620   2.7628   26.599   3.1826 4.021053 4.214434 
1 1 1   19   25    9 o   72.686   4.1533  648.776   70.991  616.500  100.281  681.200  100.511   69.247   6.1983   73.112   5.8714 -3.864319 8.537701 
1 1 1   19   25   10 o   63.351   3.7265  490.261   55.501  497.900   78.432  482.600   78.548   62.758   5.3434   61.702   5.4469 1.056004 7.630249 
1 1 1   19   25   11 o   47.582   2.8852  273.452   32.265  322.600   45.652  224.400   45.607   51.288   3.7964   42.331   4.6386 8.957905 5.994061 
1 1 1   19   25   12 o   18.280   1.7609   40.109   7.5073   41.400   10.582   38.800   10.652   18.428   2.4961   17.803   2.6114 0.6246033 3.612502 
1 1 1   19   25   13 o   60.287   3.5687  444.250   50.577  461.900   71.527  426.600   71.527   60.463   5.0562   57.918   5.2883 2.545666 7.316464 
1 1 1   19   25   14 o   8.5712   1.6334   9.0214   3.1853   14.300   4.5620   4.0000   4.4495   10.808   1.8542   6.3507   2.3023 4.457509 2.956162 
1 1 1   19   25   15 o   9.4243   1.7779   10.919   3.8115   10.500   5.2134   11.400   5.5866   9.1883   2.3828   9.5669   2.4594 -0.3785820 3.424345 
1 1 1   19   25   16 o   19.162   1.7882   44.119   7.9978   42.900   11.173   45.400   11.453   18.713   2.5987   19.265   2.5827 -0.5510750 3.663794 
1 1 1   19   25   17 o   20.900   1.7958   52.441   8.7765   46.400   12.304   58.700   12.523   19.424   2.7601   21.971   2.4558 -2.546926 3.694488 
1 1 1   19   25   18 o   61.957   3.7600  474.323   54.750  522.800   77.331  425.600   77.527   63.819   5.1761   56.926   5.8506 6.893261 7.811625 
1 1 1   19   25   19 o   29.736   2.2075  106.547   15.390  121.800   21.696   91.100   21.834   31.566   2.9446   27.065   3.4982 4.501129 4.572548 
1 1 1   19   25   20 o   25.795   2.0110   80.058   12.153   83.200   17.166   76.900   17.208   26.066   2.8345   25.004   2.9727 1.062208 4.107536 
1 1 1   19   25   21 f   5.3310   1.6675   3.3553   2.3316   3.4000   3.1358   3.3000   3.4869   5.6111   1.9423   5.6953   2.0416 -0.8418560E-01 2.817953 
1 1 1   19   25   22 o   39.670   2.6023  190.934   24.241  232.700   34.269  149.100   34.296   43.430   3.3679   34.213   4.3430 9.217220 5.495828 
1 1 1   19   25   23 f   7.6371   1.7289   7.2331   3.0454   6.7000   4.2423   7.8000   4.3744   7.4299   2.2356   7.9473   2.2366 -0.5173578 3.162256 
1 1 1   19   25   24 o   15.975   1.6428   30.761   6.1087   37.600   8.7301   24.200   8.5507   17.563   2.1499   13.898   2.7029 3.665560 3.453638 
1 1 1   19   25   25 o   2.2321   1.0143  -0.7180   1.1662  -1.5000   1.5508   0.3000   1.7694   2.3883   1.1150   3.3083   1.3746 -0.9199839 1.769923 
1 1 1   19   25   26 f   15.435   1.6438   28.791   5.8991   37.900   8.4177   20.000   8.2694   17.630   2.0609   12.544   2.8558 5.086271 3.521789 
1 1 1   19   25   27 o   17.600   2.5725   38.500   10.375   0.0000   0.0000   38.500   10.375  ?   ?    17.600   2.5725 0.000000 2.572531 
1 1 1   19   25   28 o   11.251   2.4623   16.000   6.3601   0.0000   0.0000   16.000   6.3601  ?   ?    11.251   2.4623 0.000000 2.462262 
1 1 1   19   25   29 o   34.317   3.6193  151.300   28.886   0.0000   0.0000  151.300   28.886  ?   ?    34.317   3.6193 0.000000 3.619250 
1 1 1   19   25   30 o   5.3469   2.1418   1.8000   4.1078   0.0000   0.0000   1.8000   4.1078  ?   ?    5.3469   2.1418 0.000000 2.141769 
1 1 1   19   25   31 o   19.466   2.8880   48.100   12.873   0.0000   0.0000   48.100   12.873  ?   ?    19.466   2.8880 0.000000 2.888010 
1 1 1   19   25   32 o   34.686   3.6832  156.800   29.706   0.0000   0.0000  156.800   29.706  ?   ?    34.686   3.6832 0.000000 3.683177 
1 1 1   19   25   33 o   6.3404   2.3235   4.1000   4.5492   0.0000   0.0000   4.1000   4.5492  ?   ?    6.3404   2.3235 0.000000 2.323487 
1 1 1   19   25   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   25   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26    0 o   68.397   5.7952  582.100   92.051  582.100   92.051  582.100   92.051   68.397   5.7952   68.397   5.7952 0.000000 0.000000 
1 1 1   19   26    1 o   34.314   2.3252  141.151   18.729  141.500   26.464  140.800   26.510   34.090   3.3301   34.001   3.3452 0.8951950E-01 4.720172 
1 1 1   19   26    2 o   16.874   1.7647   34.191   6.9274   30.000   9.8452   38.300   9.7492   15.596   2.7750   17.755   2.3856 -2.159519 3.659510 
1 1 1   19   26    3 o   9.9878   1.8005   12.214   4.0903   15.800   5.6281   8.2000   5.9548   11.326   2.1835   8.3591   2.6712 2.966934 3.450063 
1 1 1   19   26    4 o   38.459   2.4849  177.598   22.446  206.800   31.772  148.500   31.716   41.265   3.2879   34.705   3.9400 6.560101 5.131644 
1 1 1   19   26    5 o   60.848   3.5799  450.543   51.211  457.600   72.458  443.500   72.389   60.397   5.1290   59.397   5.2140 1.000717 7.313801 
1 1 1   19   26    6 f   42.597   2.7023  218.513   27.041  213.500   38.291  223.500   38.192   41.650   3.9402   42.668   3.8315 -1.017834 5.495896 
1 1 1   19   26    7 f   64.551   3.7843  509.452   57.432  508.700   81.309  510.200   81.132   63.327   5.4917   63.439   5.4694 -0.1117897 7.750690 
1 1 1   19   26    8 o   56.082   3.3410  382.184   44.044  389.500   62.355  374.900   62.221   55.809   4.7776   54.688   4.8691 1.120571 6.821556 
1 1 1   19   26    9 o   32.335   2.2391  125.485   16.991  119.900   23.998  131.100   24.061   31.308   3.2956   32.801   3.1450 -1.492792 4.555438 
1 1 1   19   26   10 o   44.698   2.7919  241.253   29.320  242.100   41.387  240.400   41.545   44.266   4.0027   44.093   4.0348 0.1722946 5.683423 
1 1 1   19   26   11 o   27.864   2.1058   93.198   13.753  111.200   19.424   75.100   19.476   30.286   2.7459   24.640   3.4413 5.645952 4.402543 
1 1 1   19   26   12 o   45.565   2.8384  251.206   30.388  253.900   42.932  248.500   43.019   45.246   4.0615   44.729   4.1192 0.5175056 5.784799 
1 1 1   19   26   13 o   15.815   1.7706   30.147   6.4990   32.800   9.0333   27.300   9.3571   16.371   2.4087   14.823   2.7754 1.548610 3.674846 
1 1 1   19   26   14 o   52.479   3.1482  335.360   38.833  320.800   54.750  350.100   55.087   50.434   4.6496   52.835   4.4570 -2.401794 6.440769 
1 1 1   19   26   15 o   38.719   2.6036  181.282   23.666  203.100   33.369  159.200   33.570   40.611   3.5143   35.674   4.0574 4.937431 5.367713 
1 1 1   19   26   16 o   41.486   2.7552  208.673   26.837  251.200   37.877  165.800   38.031   45.140   3.5829   36.135   4.5584 9.004799 5.797983 
1 1 1   19   26   17 o   13.965   1.6746   23.546   5.4120   30.600   7.8007   17.000   7.5147   15.851   2.1387   11.636   2.7740 4.214826 3.502729 
1 1 1   19   26   18 o   43.530   2.8708  230.432   29.344  255.300   41.308  205.100   41.691   45.286   3.9009   40.238   4.4630 5.047806 5.927460 
1 1 1   19   26   19 o   39.865   2.6334  192.634   24.650  203.600   34.728  181.500   34.994   40.506   3.6706   38.083   3.9488 2.422680 5.391320 
1 1 1   19   26   20 o   37.941   2.5798  174.480   22.976  205.900   32.426  142.800   32.560   40.859   3.3914   33.592   4.1962 7.267349 5.395386 
1 1 1   19   26   21 o   23.166   1.9869   64.679   10.764   84.300   15.174   44.800   15.273   26.337   2.4686   18.793   3.5721 7.543577 4.342129 
1 1 1   19   26   22 o   4.1445   1.6063   1.2978   2.2441   5.8000   2.8319  -6.3000   3.6789   6.8412   1.7469   3.1956   1.5516 3.645564 2.336495 
1 1 1   19   26   23 o   25.395   2.0465   77.883   12.168   98.900   17.175   56.700   17.242   28.460   2.5837   21.134   3.5830 7.326445 4.417394 
1 1 1   19   26   24 o   51.548   3.1190  327.916   37.786  399.300   53.470  256.700   53.407   56.075   4.0657   43.886   5.2582 12.18854 6.646727 
1 1 1   19   26   25 f   16.805   1.7492   34.168   6.8394   36.800   9.6406   31.500   9.7045   17.263   2.4324   15.872   2.6851 1.391080 3.623025 
1 1 1   19   26   26 o   25.537   2.9244   81.200   17.316   0.0000   0.0000   81.200   17.316  ?   ?    25.537   2.9244 0.000000 2.924364 
1 1 1   19   26   27 o   19.140   2.6252   45.600   11.552   0.0000   0.0000   45.600   11.552  ?   ?    19.140   2.6252 0.000000 2.625188 
1 1 1   19   26   28 o   7.2717   2.1828   6.5000   4.0479   0.0000   0.0000   6.5000   4.0479  ?   ?    7.2717   2.1828 0.000000 2.182799 
1 1 1   19   26   29 o   17.088   2.8612   37.100   11.137   0.0000   0.0000   37.100   11.137  ?   ?    17.088   2.8612 0.000000 2.861240 
1 1 1   19   26   30 o   26.161   3.1429   87.100   19.027   0.0000   0.0000   87.100   19.027  ?   ?    26.161   3.1429 0.000000 3.142876 
1 1 1   19   26   31 o   23.551   2.9236   70.200   15.909   0.0000   0.0000   70.200   15.909  ?   ?    23.551   2.9236 0.000000 2.923599 
1 1 1   19   26   32 f   29.246   3.3096  110.300   22.454   0.0000   0.0000  110.300   22.454  ?   ?    29.246   3.3096 0.000000 3.309581 
1 1 1   19   26   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   26   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27    0 o   35.964   3.5170  159.100   29.212  159.100   29.212  159.100   29.212   35.964   3.5170   35.964   3.5170 0.000000 0.000000 
1 1 1   19   27    1 o   6.2284   1.7215   4.7500   2.6164   4.8000   3.7002   4.7000   3.7002   6.4637   2.1092   6.4171   2.1100 0.4665995E-01 2.983428 
1 1 1   19   27    2 o   43.725   2.7289  230.418   28.035  204.200   39.623  256.700   39.672   40.589   4.1946   45.780   3.7014 -5.191788 5.594224 
1 1 1   19   27    3 o   56.908   3.3355  393.409   44.626  354.400   63.037  432.600   63.185   53.021   5.0977   58.973   4.5730 -5.952213 6.848301 
1 1 1   19   27    4 f   41.018   2.6172  202.585   25.217  188.400   35.643  216.800   35.682   39.082   3.9149   42.071   3.6272 -2.989388 5.336894 
1 1 1   19   27    5 o   66.159   3.5267  533.219   54.897  304.300   77.471  764.100   77.802   47.697   7.0944   78.737   4.1997 -31.03981 8.244273 
1 1 1   19   27    6 f   85.284   4.9578  911.801   99.413  915.600  140.579  908.000  140.605   82.782   7.2650   82.386   7.3031 0.3958359 10.30120 
1 1 1   19   27    7 o   37.130   2.4527  165.854   21.383  160.800   30.253  170.900   30.228   36.178   3.5887   37.355   3.4665 -1.176392 4.989470 
1 1 1   19   27    8 o   65.054   3.7417  518.714   57.237  555.300   81.097  482.400   80.794   66.182   5.2319   61.321   5.6429 4.860523 7.695158 
1 1 1   19   27    9 o   27.679   2.0702   91.950   13.433   92.000   19.025   91.900   18.969   27.451   2.9830   27.438   2.9754 0.1285934E-01 4.213226 
1 1 1   19   27   10 o   41.470   2.6235  207.562   25.558  190.000   36.106  225.200   36.184   39.128   3.9625   42.796   3.6144 -3.668198 5.363271 
1 1 1   19   27   11 f   9.8279   1.6491   11.795   3.6916   8.7000   5.0657   15.300   5.3908   8.4195   2.4195   11.135   2.1278 -2.715355 3.222075 
1 1 1   19   27   12 o   24.562   1.9668   72.452   11.311   72.700   15.946   72.200   16.048   24.391   2.8207   24.298   2.8512 0.9352684E-01 4.010680 
1 1 1   19   27   13 o   62.943   3.7431  488.366   55.384  552.800   78.314  423.900   78.334   65.844   5.0760   56.871   5.9199 8.973591 7.798166 
1 1 1   19   27   14 o   37.411   2.4879  168.972   21.853  171.900   30.789  166.000   31.023   37.325   3.5354   36.629   3.6347 0.6959343 5.070538 
1 1 1   19   27   15 o   35.698   2.4765  153.933   20.747  198.400   29.297  109.200   29.384   40.303   3.1022   29.312   4.3795 10.99119 5.366913 
1 1 1   19   27   16 o   25.893   1.9732   80.553   11.974   74.800   16.794   86.500   17.075   24.684   2.9391   26.625   2.7558 -1.941347 4.028950 
1 1 1   19   27   17 o   55.908   3.2744  382.799   43.039  358.000   60.623  408.000   61.112   52.897   4.9093   56.755   4.5996 -3.857391 6.727376 
1 1 1   19   27   18 o   13.020   1.6938   20.531   5.0843   19.900   7.0882   21.200   7.2968   12.653   2.4609   13.071   2.4542 -0.4180145 3.475547 
1 1 1   19   27   19 o   32.436   2.4054  127.301   18.293  164.300   25.783   89.800   25.957   36.636   3.0068   26.489   4.2970 10.14758 5.244564 
1 1 1   19   27   20 o   25.315   2.0113   77.183   11.924   80.000   16.766   74.300   16.962   25.537   2.8279   24.546   2.9881 0.9906578 4.114093 
1 1 1   19   27   21 o   31.564   2.2747  120.475   16.841  132.900   23.745  107.900   23.888   32.839   3.0987   29.384   3.5124 3.454361 4.683927 
1 1 1   19   27   22 o   17.083   1.7690   35.250   7.0326   40.000   9.9456   30.500   9.9456   18.052   2.3920   15.610   2.8010 2.441875 3.683408 
1 1 1   19   27   23 o   26.669   1.9182   85.728   11.999  119.300   17.146   53.500   16.799   31.340   2.3335   20.464   3.6081 10.87575 4.296987 
1 1 1   19   27   24 o   41.487   2.4549  209.661   23.943  251.400   34.301  170.000   33.437   44.934   3.2548   36.464   3.9462 8.470554 5.115272 
1 1 1   19   27   25 o   9.3017   2.4014   10.900   5.3108   0.0000   0.0000   10.900   5.3108  ?   ?    9.3017   2.4014 0.000000 2.401401 
1 1 1   19   27   26 o   7.4535   2.2619   6.8000   4.3294   0.0000   0.0000   6.8000   4.3294  ?   ?    7.4535   2.2619 0.000000 2.261937 
1 1 1   19   27   27 o   30.782   3.2624  120.000   23.353   0.0000   0.0000  120.000   23.353  ?   ?    30.782   3.2624 0.000000 3.262436 
1 1 1   19   27   28 o   14.535   2.5201   26.600   8.3362   0.0000   0.0000   26.600   8.3362  ?   ?    14.535   2.5201 0.000000 2.520067 
1 1 1   19   27   29 o   19.040   2.7969   45.800   12.200   0.0000   0.0000   45.800   12.200  ?   ?    19.040   2.7969 0.000000 2.796876 
1 1 1   19   27   30 o   33.887   3.5962  148.700   28.337   0.0000   0.0000  148.700   28.337  ?   ?    33.887   3.5962 0.000000 3.596205 
1 1 1   19   27   31 o   26.973   3.1637   93.200   19.768   0.0000   0.0000   93.200   19.768  ?   ?    26.973   3.1637 0.000000 3.163746 
1 1 1   19   27   32 o   14.947   2.7513   28.700   9.3530   0.0000   0.0000   28.700   9.3530  ?   ?    14.947   2.7513 0.000000 2.751325 
1 1 1   19   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   27   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28    0 o   33.150   3.3525  135.400   25.627  135.400   25.627  135.400   25.627   33.150   3.3525   33.150   3.3525 0.000000 0.000000 
1 1 1   19   28    1 o   44.691   2.7937  241.244   29.334  244.500   41.524  238.000   41.445   44.478   3.9963   43.853   4.0480 0.6245613 5.688271 
1 1 1   19   28    2 o   26.753   2.0568   85.883   12.894   90.800   18.174   80.900   18.296   27.315   2.8601   25.706   3.0752 1.609505 4.199610 
1 1 1   19   28    3 o   66.577   3.8779  544.698   60.701  485.300   85.807  604.200   85.881   61.177   6.0177   68.971   5.3141 -7.794090 8.028176 
1 1 1   19   28    4 o   58.747   3.4297  420.932   47.371  461.900   67.090  380.200   66.897   60.704   4.7175   54.671   5.2463 6.033142 7.055368 
1 1 1   19   28    5 o   43.370   2.7381  227.207   27.897  233.400   39.430  221.000   39.475   43.474   3.8817   42.235   4.0061 1.238964 5.578222 
1 1 1   19   28    6 o   26.425   1.9932   83.768   12.346   57.100   17.433  110.600   17.487   21.373   3.5809   30.269   2.4681 -8.895971 4.349067 
1 1 1   19   28    7 o   18.828   1.8207   42.609   7.9938   50.000   11.261   35.100   11.350   20.289   2.3967   16.813   2.9673 3.476164 3.814351 
1 1 1   19   28    8 o   48.574   2.8910  285.835   33.010  331.000   46.795  241.100   46.572   51.786   3.8543   43.765   4.5740 8.021709 5.981397 
1 1 1   19   28    9 o   42.938   2.7056  222.927   27.292  229.400   38.667  216.500   38.528   43.054   3.8438   41.762   3.9540 1.292068 5.514381 
1 1 1   19   28   10 o   63.985   3.7961  504.759   57.099  551.100   80.742  458.400   80.758   65.625   5.2544   59.286   5.8446 6.338741 7.859275 
1 1 1   19   28   11 o   9.2472   1.9204   10.574   4.0562   4.2000   5.9818   16.000   5.5188   6.9592   2.6413   11.389   2.1305 -4.429444 3.393432 
1 1 1   19   28   12 o   16.954   1.7469   34.592   6.8934   33.200   9.5582   36.100   9.9513   16.431   2.5457   17.151   2.5333 -0.7199268 3.591446 
1 1 1   19   28   13 f   26.620   2.1527   85.354   13.416  102.300   18.862   68.000   19.087   28.976   2.7912   23.318   3.5809 5.657555 4.540211 
1 1 1   19   28   14 o   5.1034   1.6874   2.9516   2.3653   3.7000   2.9483   1.6000   3.9622   5.7028   1.8838   5.2468   2.1028 0.4559913 2.823246 
1 1 1   19   28   15 o   29.596   2.2425  105.619   15.555  124.300   21.901   86.600   22.098   31.893   2.9412   26.319   3.6543 5.573584 4.690869 
1 1 1   19   28   16 o   14.939   1.7369   26.949   6.0128   26.900   8.4097   27.000   8.6003   14.756   2.5030   14.770   2.5585 -0.1471806E-01 3.579216 
1 1 1   19   28   17 o   32.749   2.3360  129.517   17.946  139.500   25.234  119.300   25.528   33.668   3.2130   30.972   3.5549 2.695883 4.791698 
1 1 1   19   28   18 o   26.438   2.0493   84.174   12.694   86.600   17.866   81.700   18.039   26.567   2.8947   25.752   3.0240 0.8146820 4.186123 
1 1 1   19   28   19 o   34.172   2.3302  141.152   18.691  133.100   26.355  149.300   26.512   32.724   3.4633   34.769   3.2675 -2.044712 4.761375 
1 1 1   19   28   20 o   27.656   2.0944   92.314   13.576   93.700   19.101   90.900   19.300   27.562   2.9825   27.109   3.0690 0.4529228 4.279466 
1 1 1   19   28   21 o   33.122   2.3852  133.205   18.530  160.500   26.132  105.600   26.280   36.043   3.1006   28.765   3.9753 7.278145 5.041439 
1 1 1   19   28   22 o   28.748   2.1745  100.142   14.653  111.000   20.635   89.100   20.810   29.961   2.9551   26.625   3.3865 3.336075 4.494545 
1 1 1   19   28   23 o   33.568   3.3938  141.500   26.532   0.0000   0.0000  141.500   26.532  ?   ?    33.568   3.3938 0.000000 3.393795 
1 1 1   19   28   24 o   40.324   3.8978  208.100   36.652   0.0000   0.0000  208.100   36.652  ?   ?    40.324   3.8978 0.000000 3.897766 
1 1 1   19   28   25 o   16.247   2.5686   33.000   9.5267   0.0000   0.0000   33.000   9.5267  ?   ?    16.247   2.5686 0.000000 2.568626 
1 1 1   19   28   26 o   17.177   2.5794   36.900   10.139   0.0000   0.0000   36.900   10.139  ?   ?    17.177   2.5794 0.000000 2.579367 
1 1 1   19   28   27 o   23.528   2.8411   69.500   15.465   0.0000   0.0000   69.500   15.465  ?   ?    23.528   2.8411 0.000000 2.841096 
1 1 1   19   28   28 o   23.901   2.9362   72.100   16.223   0.0000   0.0000   72.100   16.223  ?   ?    23.901   2.9362 0.000000 2.936194 
1 1 1   19   28   29 o   3.6644   1.6068  -0.6000   2.6640   0.0000   0.0000  -0.6000   2.6640  ?   ?    3.6644   1.6068 0.000000 1.606846 
1 1 1   19   28   30 o   19.261   2.7613   47.000   12.200   0.0000   0.0000   47.000   12.200  ?   ?    19.261   2.7613 0.000000 2.761253 
1 1 1   19   28   31 o   12.640   2.8753   20.800   8.3889   0.0000   0.0000   20.800   8.3889  ?   ?    12.640   2.8753 0.000000 2.875338 
1 1 1   19   28   32 o   13.421   2.8760   23.600   8.8405   0.0000   0.0000   23.600   8.8405  ?   ?    13.421   2.8760 0.000000 2.876000 
1 1 1   19   28   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   28   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29    0 f   60.074   5.2056  450.600   72.570  450.600   72.570  450.600   72.570   60.074   5.2056   60.074   5.2056 0.000000 0.000000 
1 1 1   19   29    1 o   25.121   1.9994   75.768   11.762   86.100   16.619   65.400   16.649   26.622   2.6802   23.037   3.1426 3.585306 4.130268 
1 1 1   19   29    2 o   59.210   3.5164  429.094   48.944  384.200   69.213  474.000   69.222   54.704   5.4298   61.313   4.8200 -6.609215 7.260558 
1 1 1   19   29    3 o   5.1805   1.6587   3.1164   2.2952  -0.5000   3.1702   7.1000   3.3273   4.0814   1.7719   7.5706   1.8718 -3.489107 2.577443 
1 1 1   19   29    4 o   37.876   2.4814  172.933   22.071  178.600   31.260  167.300   31.166   38.109   3.5133   36.825   3.6314 1.284508 5.052771 
1 1 1   19   29    5 o   27.328   2.0607   89.697   13.200   90.900   18.688   88.500   18.646   27.273   2.9488   26.895   2.9864 0.3779125 4.196915 
1 1 1   19   29    6 o   23.171   1.9308   64.484   10.468   57.900   14.843   71.000   14.766   21.689   2.9766   24.154   2.6315 -2.464176 3.973071 
1 1 1   19   29    7 o   36.338   2.5195  159.420   21.485  144.500   30.615  173.900   30.160   34.076   3.8735   37.614   3.4335 -3.538040 5.176161 
1 1 1   19   29    8 o   24.204   1.9404   70.347   10.997   72.500   15.564   68.200   15.540   24.373   2.7525   23.604   2.8454 0.7687836 3.958907 
1 1 1   19   29    9 o   10.152   1.6740   12.584   3.8732   10.100   5.3132   15.400   5.6582   9.0208   2.4368   11.150   2.2269 -2.129489 3.301080 
1 1 1   19   29   10 o   14.642   1.6742   25.844   5.6843   27.900   8.1542   23.900   7.9281   15.076   2.3687   13.898   2.5081 1.178036 3.449828 
1 1 1   19   29   11 o   21.824   1.8797   57.230   9.5925   59.200   13.637   55.300   13.496   22.007   2.6795   21.239   2.7560 0.7683144 3.843844 
1 1 1   19   29   12 o   14.520   1.7081   25.449   5.7445   32.500   8.1535   18.500   8.0947   16.338   2.1669   12.130   2.8706 4.207669 3.596632 
1 1 1   19   29   13 o   67.688   3.9401  568.575   62.704  549.100   88.283  588.400   89.075   64.680   5.8433   67.161   5.6696 -2.480812 8.141798 
1 1 1   19   29   14 o   18.592   1.7788   41.581   7.7138   39.200   10.658   44.200   11.179   17.857   2.6041   18.994   2.5574 -1.137230 3.649873 
1 1 1   19   29   15 o   47.835   2.9750  278.915   33.437  285.000   47.228  272.800   47.348   47.598   4.2465   46.481   4.3649 1.116486 6.089773 
1 1 1   19   29   16 o   39.634   2.6717  190.646   24.859  212.200   34.999  168.700   35.315   41.370   3.6191   36.571   4.1637 4.798595 5.516700 
1 1 1   19   29   17 o   7.6970   1.8144   7.3555   3.2438   6.6000   4.4648   8.2000   4.7207   7.4216   2.3053   8.1572   2.3332 -0.7355552 3.279914 
1 1 1   19   29   18 o   35.587   2.2873  153.011   19.120  133.000   26.817  173.700   27.267   32.652   3.5344   37.579   3.1005 -4.926334 4.701604 
1 1 1   19   29   19 o   23.669   1.9626   67.596   10.870   70.100   15.236   65.000   15.512   23.865   2.7542   22.906   2.9354 0.9584541 4.025198 
1 1 1   19   29   20 o   26.396   2.1288   84.342   13.157   97.400   18.473   70.900   18.742   28.130   2.8190   23.711   3.4484 4.418695 4.454037 
1 1 1   19   29   21 o   44.977   2.7480  247.848   29.046  297.000   41.291  199.700   40.867   48.617   3.6227   39.182   4.4986 9.435013 5.775931 
1 1 1   19   29   22 o   14.409   2.5896   26.000   8.4870   0.0000   0.0000   26.000   8.4870  ?   ?    14.409   2.5896 0.000000 2.589552 
1 1 1   19   29   23 o   13.633   2.5107   23.300   7.7850   0.0000   0.0000   23.300   7.7850  ?   ?    13.633   2.5107 0.000000 2.510720 
1 1 1   19   29   24 o   9.4932   2.4052   11.400   5.3981   0.0000   0.0000   11.400   5.3981  ?   ?    9.4932   2.4052 0.000000 2.405184 
1 1 1   19   29   25 o   18.346   2.6307   42.100   11.071   0.0000   0.0000   42.100   11.071  ?   ?    18.346   2.6307 0.000000 2.630688 
1 1 1   19   29   26 o   19.135   2.6728   45.900   11.747   0.0000   0.0000   45.900   11.747  ?   ?    19.135   2.6728 0.000000 2.672776 
1 1 1   19   29   27 o   19.747   2.7730   49.100   12.574   0.0000   0.0000   49.100   12.574  ?   ?    19.747   2.7730 0.000000 2.772974 
1 1 1   19   29   28 o   13.600   2.6854   23.600   8.3182   0.0000   0.0000   23.600   8.3182  ?   ?    13.600   2.6854 0.000000 2.685388 
1 1 1   19   29   29 o   18.577   2.7802   43.800   11.821   0.0000   0.0000   43.800   11.821  ?   ?    18.577   2.7802 0.000000 2.780170 
1 1 1   19   29   30 o   6.1471   2.3456   3.4000   4.7335   0.0000   0.0000   3.4000   4.7335  ?   ?    6.1471   2.3456 0.000000 2.345646 
1 1 1   19   29   31 o  ?   ?   -9.5000   0.7179   0.0000   0.0000  -9.5000   0.7179  ?   ?   ?   ?  0.000000      ? 
1 1 1   19   29   32 o   17.813   2.8921   41.600   11.748   0.0000   0.0000   41.600   11.748  ?   ?    17.813   2.8921 0.000000 2.892128 
1 1 1   19   29   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   29   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30    0 o   20.750   2.8220   54.100   13.105   54.100   13.105   54.100   13.105   20.750   2.8220   20.750   2.8220 0.000000 0.000000 
1 1 1   19   30    1 o   73.557   4.3274  674.566   74.833  700.400  105.798  648.700  105.862   72.979   6.1979   69.884   6.4891 3.095345 8.973419 
1 1 1   19   30    2 o   26.791   1.9852   86.146   12.470  102.100   17.694   70.400   17.578   29.018   2.6102   23.882   3.1971 5.135088 4.127267 
1 1 1   19   30    3 o   53.986   3.2584  355.647   41.344  359.600   58.494  351.700   58.446   53.380   4.6880   52.747   4.7430 0.6330986 6.668871 
1 1 1   19   30    4 o   32.805   2.2333  129.439   17.198  143.100   24.376  115.900   24.266   34.239   3.0468   30.657   3.4098 3.581907 4.572709 
1 1 1   19   30    5 o   40.890   2.6272  202.097   25.233  187.900   35.682  216.300   35.688   38.862   3.9429   41.869   3.6461 -3.007153 5.370274 
1 1 1   19   30    6 o   19.155   1.8506   44.146   8.2664   37.600   11.732   50.600   11.649   17.402   2.9611   20.382   2.4710 -2.979733 3.856691 
1 1 1   19   30    7 o   46.980   2.8582  267.699   31.557  238.700   44.551  296.900   44.706   43.574   4.3896   48.938   3.9010 -5.364140 5.872490 
1 1 1   19   30    8 o   54.778   3.2286  366.341   41.578  309.300   58.743  423.600   58.856   49.093   5.1437   58.183   4.3146 -9.090473 6.713664 
1 1 1   19   30    9 o   35.753   2.3677  154.118   19.876  162.400   28.251  146.000   27.969   36.347   3.3285   34.379   3.4938 1.967861 4.825513 
1 1 1   19   30   10 f   50.120   2.9658  305.501   34.945  276.700   49.167  334.900   49.675   46.811   4.5036   51.816   4.0932 -5.005783 6.085779 
1 1 1   19   30   11 f   35.605   2.4007  152.980   20.066  151.600   28.177  154.400   28.584   35.047   3.4494   35.364   3.4675 -0.3167725 4.891015 
1 1 1   19   30   12 o   57.095   3.0213  396.970   40.588  307.700   56.877  489.600   57.938   48.970   4.9883   62.780   3.9280 -13.80967 6.349242 
1 1 1   19   30   13 o   57.256   3.2888  401.730   44.279  338.500   62.414  465.800   62.827   51.129   5.2438   60.807   4.4054 -9.677807 6.848686 
1 1 1   19   30   14 o   33.577   2.3117  136.048   18.217  135.800   25.654  136.300   25.873   33.173   3.3196   33.224   3.3432 -0.5146790E-01 4.711338 
1 1 1   19   30   15 o   64.095   3.8294  511.100   57.693  573.100   81.591  449.100   81.591   66.441   5.2431   57.923   6.0547 8.518349 8.009347 
1 1 1   19   30   16 o   30.716   2.1417  113.776   15.437  104.900   21.682  122.900   21.983   29.110   3.2074   31.629   2.9784 -2.519215 4.377063 
1 1 1   19   30   17 o   2.8822   1.2174   0.0714   1.4231   1.6000   1.8576  -2.1000   2.2141   4.0722   1.4859   2.8623   1.3349 1.209888 1.997454 
1 1 1   19   30   18 o   22.558   1.8909   61.366   9.9796   59.000   13.878   63.900   14.361   21.864   2.7488   22.774   2.7245 -0.9102154 3.870298 
1 1 1   19   30   19 o   41.791   2.7826  214.020   27.302  231.600   38.428  196.100   38.797   42.790   3.8442   39.046   4.2779 3.744144 5.751348 
1 1 1   19   30   20 o   42.541   2.6983  221.681   26.966  252.000   38.307  191.900   37.966   44.708   3.6606   38.567   4.2388 6.141785 5.600642 
1 1 1   19   30   21 o   21.205   2.7763   55.900   13.567   0.0000   0.0000   55.900   13.567  ?   ?    21.205   2.7763 0.000000 2.776265 
1 1 1   19   30   22 o   31.590   3.3115  125.800   24.335   0.0000   0.0000  125.800   24.335  ?   ?    31.590   3.3115 0.000000 3.311516 
1 1 1   19   30   23 o   37.334   3.6976  178.600   32.169   0.0000   0.0000  178.600   32.169  ?   ?    37.334   3.6976 0.000000 3.697615 
1 1 1   19   30   24 o   18.319   2.6367   42.000   11.077   0.0000   0.0000   42.000   11.077  ?   ?    18.319   2.6367 0.000000 2.636724 
1 1 1   19   30   25 o   6.4666   2.1214   4.9000   3.7411   0.0000   0.0000   4.9000   3.7411  ?   ?    6.4666   2.1214 0.000000 2.121379 
1 1 1   19   30   26 o   9.2680   2.3988   10.900   5.2904   0.0000   0.0000   10.900   5.2904  ?   ?    9.2680   2.3988 0.000000 2.398771 
1 1 1   19   30   27 o   20.041   2.8308   50.800   13.023   0.0000   0.0000   50.800   13.023  ?   ?    20.041   2.8308 0.000000 2.830798 
1 1 1   19   30   28 o   41.113   4.1818  226.200   40.032   0.0000   0.0000  226.200   40.032  ?   ?    41.113   4.1818 0.000000 4.181751 
1 1 1   19   30   29 o   17.698   2.7769   40.000   11.223   0.0000   0.0000   40.000   11.223  ?   ?    17.698   2.7769 0.000000 2.776896 
1 1 1   19   30   30 o   13.233   2.7630   22.800   8.3549   0.0000   0.0000   22.800   8.3549  ?   ?    13.233   2.7630 0.000000 2.762960 
1 1 1   19   30   31 o   2.1831   1.0901  -6.1000   2.3012   0.0000   0.0000  -6.1000   2.3012  ?   ?    2.1831   1.0901 0.000000 1.090117 
1 1 1   19   30   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   30   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31    0 o  ?   ?   -4.1000   0.7179  -4.1000   0.7179  -4.1000   0.7179  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   19   31    1 o   15.011   1.7320   27.187   6.0267   31.100   8.5941   23.400   8.4537   15.938   2.3545   13.704   2.7084 2.233642 3.588717 
1 1 1   19   31    2 f   43.245   2.6821  226.290   27.253  195.100   38.474  257.700   38.610   39.452   4.1942   45.725   3.6051 -6.272251 5.530649 
1 1 1   19   31    3 o   12.750   1.7229   19.704   5.0541   13.400   7.1216   26.100   7.1740   10.363   2.8304   14.621   2.1414 -4.257971 3.549138 
1 1 1   19   31    4 o   54.735   3.2390  365.915   41.677  327.200   58.838  404.900   59.043   50.610   4.9881   56.775   4.4393 -6.164513 6.677505 
1 1 1   19   31    5 o   17.498   1.7843   36.861   7.2693   38.900   10.381   34.900   10.182   17.812   2.5402   16.826   2.6504 0.9860382 3.671121 
1 1 1   19   31    6 o   44.281   2.7855  237.749   28.977  238.800   41.009  236.700   40.950   43.773   4.0121   43.571   4.0256 0.2017174 5.683536 
1 1 1   19   31    7 o   25.912   2.0104   80.705   12.205   77.000   17.273   84.400   17.248   25.042   2.9794   26.282   2.8235 -1.239799 4.104777 
1 1 1   19   31    8 o   5.8306   1.8280   4.0139   2.8000   9.3000   3.9931  -1.1000   3.9275   8.6528   1.9951   4.4048   1.9407 4.248018 2.783300 
1 1 1   19   31    9 o   38.880   2.6012  183.022   23.744  199.100   33.454  166.700   33.706   40.133   3.5672   36.500   3.9750 3.633511 5.340924 
1 1 1   19   31   10 o   28.548   2.1939   98.240   14.676  108.300   20.566   87.800   20.951   29.738   2.9683   26.589   3.4159 3.149261 4.525350 
1 1 1   19   31   11 o   35.281   2.4816  150.564   20.543  182.100   28.955  118.600   29.151   38.519   3.2127   30.635   4.1354 7.884260 5.236703 
1 1 1   19   31   12 o   19.991   1.8444   48.109   8.6086   45.200   12.192   51.000   12.156   19.138   2.7791   20.408   2.5802 -1.269447 3.792230 
1 1 1   19   31   13 o   51.455   3.1279  324.314   37.824  294.700   53.415  354.100   53.569   47.903   4.7861   52.925   4.3242 -5.021263 6.450261 
1 1 1   19   31   14 o   70.154   4.1878  620.181   69.059  614.800   97.491  625.600   97.837   67.408   6.1941   68.054   6.1548 -0.6460876 8.731994 
1 1 1   19   31   15 o   23.665   1.9751   67.564   10.936   70.200   15.285   64.800   15.653   23.889   2.7605   22.869   2.9686 1.020132 4.053817 
1 1 1   19   31   16 o   10.536   1.8928   13.684   4.5361   22.800   6.2740   3.7000   6.5660   13.648   2.0067   6.9881   2.7367 6.659549 3.393594 
1 1 1   19   31   17 o   59.889   3.4054  445.748   47.960  380.400   67.519  512.300   68.138   53.304   5.4404   62.931   4.6175 -9.627079 7.135810 
1 1 1   19   31   18 o   21.799   1.9141   57.452   9.7531   57.300   13.906   57.600   13.683   21.487   2.8079   21.565   2.7495 -0.7805252E-01 3.929865 
1 1 1   19   31   19 o   12.171   2.6156   18.700   7.2934   0.0000   0.0000   18.700   7.2934  ?   ?    12.171   2.6156 0.000000 2.615552 
1 1 1   19   31   20 o   10.737   2.5541   14.600   6.3811   0.0000   0.0000   14.600   6.3811  ?   ?    10.737   2.5541 0.000000 2.554066 
1 1 1   19   31   21 o   17.769   2.6195   39.400   10.662   0.0000   0.0000   39.400   10.662  ?   ?    17.769   2.6195 0.000000 2.619512 
1 1 1   19   31   22 o   22.221   2.7829   61.700   14.282   0.0000   0.0000   61.700   14.282  ?   ?    22.221   2.7829 0.000000 2.782882 
1 1 1   19   31   23 o   15.684   2.5839   30.900   9.2362   0.0000   0.0000   30.900   9.2362  ?   ?    15.684   2.5839 0.000000 2.583863 
1 1 1   19   31   24 o   24.269   2.8947   74.000   16.261   0.0000   0.0000   74.000   16.261  ?   ?    24.269   2.8947 0.000000 2.894688 
1 1 1   19   31   25 o   23.799   2.8658   71.200   15.782   0.0000   0.0000   71.200   15.782  ?   ?    23.799   2.8658 0.000000 2.865845 
1 1 1   19   31   26 o   7.3636   2.3892   6.5000   4.7502   0.0000   0.0000   6.5000   4.7502  ?   ?    7.3636   2.3892 0.000000 2.389192 
1 1 1   19   31   27 o   16.815   2.7726   36.000   10.626   0.0000   0.0000   36.000   10.626  ?   ?    16.815   2.7726 0.000000 2.772639 
1 1 1   19   31   28 o   17.686   2.7834   40.000   11.240   0.0000   0.0000   40.000   11.240  ?   ?    17.686   2.7834 0.000000 2.783408 
1 1 1   19   31   29 o   11.628   2.6506   17.600   7.1162   0.0000   0.0000   17.600   7.1162  ?   ?    11.628   2.6506 0.000000 2.650614 
1 1 1   19   31   30 o   5.8728   2.3349   2.6000   4.8463   0.0000   0.0000   2.6000   4.8463  ?   ?    5.8728   2.3349 0.000000 2.334950 
1 1 1   19   31   31 o   14.561   2.8272   28.300   9.3706   0.0000   0.0000   28.300   9.3706  ?   ?    14.561   2.8272 0.000000 2.827162 
1 1 1   19   31   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   31   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32    0 o   32.535   3.3361  130.900   25.013  130.900   25.013  130.900   25.013   32.535   3.3361   32.535   3.3361 0.000000 0.000000 
1 1 1   19   32    1 o   41.132   2.5936  204.613   25.063  232.100   35.533  177.400   35.355   43.410   3.4961   37.652   4.0397 5.757458 5.342398 
1 1 1   19   32    2 o   44.656   2.8057  242.000   29.435  242.600   41.615  241.400   41.639   44.081   4.0430   43.963   4.0567 0.1178246 5.727407 
1 1 1   19   32    3 o   36.367   2.3984  159.573   20.481  182.600   29.014  136.700   28.916   38.596   3.2126   33.126   3.7634 5.469849 4.948134 
1 1 1   19   32    4 o   25.325   2.0070   77.130   11.904   67.500   16.861   86.700   16.808   23.368   3.1347   26.669   2.7065 -3.301161 4.141450 
1 1 1   19   32    5 o   38.782   2.5604  181.941   23.316  173.300   33.053  190.500   32.894   37.313   3.8046   39.244   3.5893 -1.931385 5.230513 
1 1 1   19   32    6 o   12.058   1.7055   17.656   4.7207   18.300   6.6442   17.000   6.7084   12.137   2.4033   11.670   2.5090 0.4671679 3.474307 
1 1 1   19   32    7 o   18.753   1.8079   42.326   7.9066   56.400   11.337   29.000   11.032   21.571   2.2593   15.166   3.1820 6.404553 3.902513 
1 1 1   19   32    8 o   8.6101   1.8680   9.1874   3.6887   5.3000   4.9595   14.000   5.5183   7.0041   2.4417   10.606   2.2719 -3.601421 3.335161 
1 1 1   19   32    9 o   37.628   2.2620  170.604   20.005  134.700   27.918  208.500   28.682   32.875   3.6583   41.327   2.9587 -8.451477 4.704958 
1 1 1   19   32   10 o   7.0376   1.8449   6.1314   3.1034   4.4000   3.9299   9.0000   5.0585   6.3303   2.1754   8.5299   2.4067 -2.199545 3.244157 
1 1 1   19   32   11 o   37.898   2.5307  174.195   22.518  183.600   31.770  164.700   31.920   38.438   3.5401   36.263   3.7835 2.174946 5.181374 
1 1 1   19   32   12 o   66.768   3.6007  553.413   56.559  422.900   79.496  687.200   80.487   55.829   6.1310   73.215   4.6799 -17.38603 7.713063 
1 1 1   19   32   13 f   9.0746   1.9776   10.244   4.1179   8.1000   5.4089   13.200   6.3513   8.1846   2.5365   10.244   2.6163 -2.059541 3.643967 
1 1 1   19   32   14 o   37.748   2.4367  172.958   21.604  154.900   30.392  191.400   30.715   35.081   3.7259   39.256   3.3453 -4.175571 5.007390 
1 1 1   19   32   15 o   28.222   2.1362   96.396   14.131  105.300   19.932   87.400   20.036   29.200   2.9303   26.430   3.2809 2.770260 4.398978 
1 1 1   19   32   16 o   39.922   2.6545  194.884   24.881  210.800   35.096  178.800   35.279   40.899   3.6731   37.385   4.0616 3.513905 5.476149 
1 1 1   19   32   17 o   19.697   2.7342   48.200   12.374   0.0000   0.0000   48.200   12.374  ?   ?    19.697   2.7342 0.000000 2.734153 
1 1 1   19   32   18 o   27.564   3.1072   95.000   19.871   0.0000   0.0000   95.000   19.871  ?   ?    27.564   3.1072 0.000000 3.107188 
1 1 1   19   32   19 o   18.335   2.7014   42.000   11.346   0.0000   0.0000   42.000   11.346  ?   ?    18.335   2.7014 0.000000 2.701445 
1 1 1   19   32   20 o   15.908   2.6698   31.800   9.6737   0.0000   0.0000   31.800   9.6737  ?   ?    15.908   2.6698 0.000000 2.669752 
1 1 1   19   32   21 f   7.1264   2.4250   5.8000   4.8817   0.0000   0.0000   5.8000   4.8817  ?   ?    7.1264   2.4250 0.000000 2.424954 
1 1 1   19   32   22 o   35.920   3.6087  165.500   30.195   0.0000   0.0000  165.500   30.195  ?   ?    35.920   3.6087 0.000000 3.608690 
1 1 1   19   32   23 o   20.961   2.7221   55.000   13.155   0.0000   0.0000   55.000   13.155  ?   ?    20.961   2.7221 0.000000 2.722123 
1 1 1   19   32   24 o   16.814   2.5762   35.500   9.9027   0.0000   0.0000   35.500   9.9027  ?   ?    16.814   2.5762 0.000000 2.576243 
1 1 1   19   32   25 o   25.629   2.9629   83.100   17.600   0.0000   0.0000   83.100   17.600  ?   ?    25.629   2.9629 0.000000 2.962851 
1 1 1   19   32   26 f   20.994   2.8369   55.900   13.703   0.0000   0.0000   55.900   13.703  ?   ?    20.994   2.8369 0.000000 2.836939 
1 1 1   19   32   27 o   24.774   3.0196   78.800   17.299   0.0000   0.0000   78.800   17.299  ?   ?    24.774   3.0196 0.000000 3.019616 
1 1 1   19   32   28 o   8.3495   2.7005   8.7000   6.0724   0.0000   0.0000   8.7000   6.0724  ?   ?    8.3495   2.7005 0.000000 2.700518 
1 1 1   19   32   29 o   5.6464   2.2556   2.3000   4.5423   0.0000   0.0000   2.3000   4.5423  ?   ?    5.6464   2.2556 0.000000 2.255567 
1 1 1   19   32   30 o   7.0988   2.3597   6.2000   4.6233   0.0000   0.0000   6.2000   4.6233  ?   ?    7.0988   2.3597 0.000000 2.359703 
1 1 1   19   32   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   32   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   33    0 o   42.308   3.9585  222.000   38.752  222.000   38.752  222.000   38.752   42.308   3.9585   42.308   3.9585 0.000000 0.000000 
1 1 1   19   33    1 o   61.224   3.6841  463.543   53.014  487.700   74.907  439.300   75.039   61.449   5.2115   57.975   5.5491 3.473076 7.612613 
1 1 1   19   33    2 o   12.747   1.7123   19.705   5.0236   21.800   7.0965   17.600   7.1124   13.282   2.3486   11.855   2.6112 1.426452 3.511997 
1 1 1   19   33    3 o   15.666   1.7920   29.651   6.5096   36.900   9.1739   22.300   9.2384   17.387   2.2902   13.294   3.0126 4.092794 3.784258 
1 1 1   19   33    4 o   35.972   2.4056  156.387   20.317  147.400   28.712  165.400   28.752   34.441   3.5829   36.606   3.3639 -2.165291 4.914560 
1 1 1   19   33    5 o   13.430   1.7390   21.862   5.3855   20.500   7.6495   23.200   7.5835   12.808   2.6177   13.687   2.4356 -0.8797426 3.575533 
1 1 1   19   33    6 o   44.846   2.7468  244.508   28.948  220.000   40.740  269.500   41.140   41.743   4.1896   46.507   3.7788 -4.764194 5.641971 
1 1 1   19   33    7 o   57.439   3.3278  406.052   44.942  362.200   63.134  451.100   63.990   52.793   5.1291   59.484   4.5912 -6.691059 6.883820 
1 1 1   19   33    8 o  ?   ?   -4.8395   1.1529  -3.5000   1.3756  -8.0000   2.1131   1.7231   0.8576  ?   ?  0.000000 0.8575643 
1 1 1   19   33    9 o   25.415   2.0559   77.963   12.233   82.100   17.075   73.600   17.534   25.836   2.8461   24.347   3.1216 1.488632 4.224325 
1 1 1   19   33   10 o   17.744   1.8122   38.022   7.4868   36.700   10.305   39.500   10.896   17.225   2.6156   17.869   2.6637 -0.6433144 3.733236 
1 1 1   19   33   11 o   43.409   2.7567  230.083   28.111  222.300   39.588  238.000   39.925   41.879   4.0539   43.426   3.9362 -1.547195 5.650483 
1 1 1   19   33   12 o   39.241   2.5001  187.245   23.046  164.100   32.416  210.900   32.771   36.001   3.8741   41.160   3.4022 -5.159004 5.155883 
1 1 1   19   33   13 o   24.554   2.0461   72.949   11.755   83.000   16.504   62.600   16.748   25.966   2.7327   22.308   3.2770 3.658207 4.266885 
1 1 1   19   33   14 o   38.157   2.5674  177.718   22.998  196.100   32.464  159.200   32.584   39.541   3.5135   35.311   3.9771 4.230190 5.306839 
1 1 1   19   33   15 o   6.5274   1.9829   5.1552   3.3258   5.0000   4.2517   5.4000   5.3385   6.6620   2.2631   7.1181   2.5289 -0.4560771 3.393626 
1 1 1   19   33   16 o   9.7909   2.4419   12.100   5.6266   0.0000   0.0000   12.100   5.6266  ?   ?    9.7909   2.4419 0.000000 2.441916 
1 1 1   19   33   17 o   14.689   2.7075   27.200   9.0454   0.0000   0.0000   27.200   9.0454  ?   ?    14.689   2.7075 0.000000 2.707513 
1 1 1   19   33   18 o   19.983   2.7586   49.900   12.670   0.0000   0.0000   49.900   12.670  ?   ?    19.983   2.7586 0.000000 2.758585 
1 1 1   19   33   19 o   9.8036   2.6706   12.200   6.3501   0.0000   0.0000   12.200   6.3501  ?   ?    9.8036   2.6706 0.000000 2.670575 
1 1 1   19   33   20 o   21.554   2.8077   58.200   13.951   0.0000   0.0000   58.200   13.951  ?   ?    21.554   2.8077 0.000000 2.807750 
1 1 1   19   33   21 o   31.428   3.3189  125.400   24.258   0.0000   0.0000  125.400   24.258  ?   ?    31.428   3.3189 0.000000 3.318947 
1 1 1   19   33   22 o   8.6855   2.4483   9.5000   5.2374   0.0000   0.0000   9.5000   5.2374  ?   ?    8.6855   2.4483 0.000000 2.448290 
1 1 1   19   33   23 o   13.055   2.5260   21.600   7.5056   0.0000   0.0000   21.600   7.5056  ?   ?    13.055   2.5260 0.000000 2.526005 
1 1 1   19   33   24 o   27.840   3.0882   98.500   19.960   0.0000   0.0000   98.500   19.960  ?   ?    27.840   3.0882 0.000000 3.088197 
1 1 1   19   33   25 o   9.3526   2.5346   11.200   5.7374   0.0000   0.0000   11.200   5.7374  ?   ?    9.3526   2.5346 0.000000 2.534643 
1 1 1   19   33   26 o   9.4506   2.4818   11.500   5.6096   0.0000   0.0000   11.500   5.6096  ?   ?    9.4506   2.4818 0.000000 2.481826 
1 1 1   19   33   27 f   8.2290   2.5161   8.6000   5.3429   0.0000   0.0000   8.6000   5.3429  ?   ?    8.2290   2.5161 0.000000 2.516124 
1 1 1   19   33   28 o   16.410   2.7987   35.400   10.456   0.0000   0.0000   35.400   10.456  ?   ?    16.410   2.7987 0.000000 2.798679 
1 1 1   19   33   29 f   4.2267   1.8978  -1.5000   3.9411   0.0000   0.0000  -1.5000   3.9411  ?   ?    4.2267   1.8978 0.000000 1.897796 
1 1 1   19   33   30 o   8.6667   2.6919  10.0000   6.0883   0.0000   0.0000  10.0000   6.0883  ?   ?    8.6667   2.6919 0.000000 2.691909 
1 1 1   19   33   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   33   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   33   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   33   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   34    0 o   32.299   3.3145  129.400   24.669  129.400   24.669  129.400   24.669   32.299   3.3145   32.299   3.3145 0.000000 0.000000 
1 1 1   19   34    1 o   7.2860   1.9399   6.5774   3.3968   3.0000   4.8951   9.9000   4.7175   6.1432   2.3748   8.9036   2.2445 -2.760452 3.267614 
1 1 1   19   34    2 o   19.528   1.8431   45.980   8.3984   44.600   12.013   47.300   11.746   18.988   2.7600   19.613   2.6003 -0.6243744 3.791988 
1 1 1   19   34    3 o   40.129   2.6209  195.770   24.699  216.300   34.912  175.200   34.947   41.682   3.5819   37.223   4.0408 4.458241 5.399798 
1 1 1   19   34    4 o   12.034   1.7347   17.634   4.7869   14.200   6.8041   21.000   6.7358   10.620   2.7055   13.032   2.2714 -2.411751 3.532609 
1 1 1   19   34    5 o   9.2715   1.8869   10.649   3.9906   2.9000   5.5251   19.100   5.7699   6.3648   2.5049   12.469   2.0295 -6.103792 3.223902 
1 1 1   19   34    6 o   17.883   1.6705   38.488   6.9726   21.700   9.5103   58.000   10.253   13.062   3.1252   21.907   2.0042 -8.845046 3.712670 
1 1 1   19   34    7 o   24.001   1.9922   69.541   11.189   69.300   15.537   69.800   16.127   23.700   2.8323   23.748   2.9386 -0.4850960E-01 4.081352 
1 1 1   19   34    8 o   16.818   1.9139   34.312   7.4653   43.900   10.579   24.800   10.537   18.914   2.4244   13.930   3.2608 4.983477 4.063302 
1 1 1   19   34    9 o   31.341   2.2463  119.009   16.514  107.700   23.364  130.300   23.345   29.308   3.4414   32.446   3.0841 -3.137960 4.621145 
1 1 1   19   34   10 o   30.478   2.1975  112.496   15.709  103.000   22.212  122.000   22.220   28.688   3.3415   31.399   3.0348 -2.710453 4.513927 
1 1 1   19   34   11 o   17.910   1.7739   38.758   7.4035   25.400   10.378   52.600   10.565   14.093   3.1925   20.781   2.1857 -6.688209 3.869021 
1 1 1   19   34   12 o   20.844   1.8816   52.529   9.1616   45.400   12.937   59.700   12.976   19.029   2.9767   22.032   2.5407 -3.002811 3.913553 
1 1 1   19   34   13 o   12.369   2.0033   18.850   5.6508   23.400   7.9914   14.300   7.9914   13.658   2.5721   10.630   3.0340 3.028539 3.977592 
1 1 1   19   34   14 o   48.543   4.6136  310.000   52.249   0.0000   0.0000  310.000   52.249  ?   ?    48.543   4.6136 0.000000 4.613600 
1 1 1   19   34   15 o   15.470   2.7109   30.100   9.5421   0.0000   0.0000   30.100   9.5421  ?   ?    15.470   2.7109 0.000000 2.710945 
1 1 1   19   34   16 o   16.381   2.7761   33.800   10.355   0.0000   0.0000   33.800   10.355  ?   ?    16.381   2.7761 0.000000 2.776119 
1 1 1   19   34   17 o   4.9705   2.0473   1.0000   3.8777   0.0000   0.0000   1.0000   3.8777  ?   ?    4.9705   2.0473 0.000000 2.047295 
1 1 1   19   34   18 o   16.981   2.7463   36.300   10.636   0.0000   0.0000   36.300   10.636  ?   ?    16.981   2.7463 0.000000 2.746324 
1 1 1   19   34   19 o   6.3019   2.1802   4.4000   3.9506   0.0000   0.0000   4.4000   3.9506  ?   ?    6.3019   2.1802 0.000000 2.180200 
1 1 1   19   34   20 o   16.373   2.6390   33.700   9.8565   0.0000   0.0000   33.700   9.8565  ?   ?    16.373   2.6390 0.000000 2.639022 
1 1 1   19   34   21 f   32.477   3.3915  134.800   25.625   0.0000   0.0000  134.800   25.625  ?   ?    32.477   3.3915 0.000000 3.391479 
1 1 1   19   34   22 o   21.408   2.7766   57.700   13.706   0.0000   0.0000   57.700   13.706  ?   ?    21.408   2.7766 0.000000 2.776594 
1 1 1   19   34   23 o   7.2057   2.2845   6.3000   4.3621   0.0000   0.0000   6.3000   4.3621  ?   ?    7.2057   2.2845 0.000000 2.284479 
1 1 1   19   34   24 o   14.653   2.6089   27.400   8.6961   0.0000   0.0000   27.400   8.6961  ?   ?    14.653   2.6089 0.000000 2.608940 
1 1 1   19   34   25 o   8.5540   2.5832   9.3000   5.6565   0.0000   0.0000   9.3000   5.6565  ?   ?    8.5540   2.5832 0.000000 2.583155 
1 1 1   19   34   26 o   9.8832   2.6158   12.800   6.2001   0.0000   0.0000   12.800   6.2001  ?   ?    9.8832   2.6158 0.000000 2.615803 
1 1 1   19   34   27 o   17.555   2.7508   40.400   11.029   0.0000   0.0000   40.400   11.029  ?   ?    17.555   2.7508 0.000000 2.750812 
1 1 1   19   34   28 o   8.2105   2.5129   8.8000   5.3277   0.0000   0.0000   8.8000   5.3277  ?   ?    8.2105   2.5129 0.000000 2.512877 
1 1 1   19   34   29 o   1.7145   0.8494  -3.0000   1.2903   0.0000   0.0000  -3.0000   1.2903  ?   ?    1.7145   0.8494 0.000000 0.8493760 
1 1 1   19   34   30 o   7.5458   2.6506   7.1000   5.8500   0.0000   0.0000   7.1000   5.8500  ?   ?    7.5458   2.6506 0.000000 2.650624 
1 1 1   19   34   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   34   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   34   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   35    0 o   9.9572   2.9705   14.600   6.0809   14.600   6.0809   14.600   6.0809   9.9572   2.9705   9.9572   2.9705 0.000000 0.000000 
1 1 1   19   35    1 o   28.428   2.1233   97.708   14.150  116.300   20.007   79.100   20.016   30.781   2.7827   25.061   3.4758 5.719425 4.452482 
1 1 1   19   35    2 o   24.500   1.9690   72.457   11.296   59.800   15.979   85.100   15.970   21.847   3.1914   26.362   2.5993 -4.514582 4.115951 
1 1 1   19   35    3 o   16.800   1.8890   34.227   7.3640   33.900   10.092   34.600   10.770   16.506   2.6812   16.629   2.8451 -0.1232681 3.909375 
1 1 1   19   35    4 o   19.524   1.8695   46.065   8.5133   46.400   11.784   45.700   12.313   19.378   2.6443   19.179   2.8014 0.1996422 3.852262 
1 1 1   19   35    5 o   13.710   1.7247   22.814   5.4600   15.100   7.6325   30.900   7.8140   10.921   2.9079   15.890   2.1367 -4.968867 3.608548 
1 1 1   19   35    6 o   32.701   2.2577  129.608   17.327  119.400   24.395  140.000   24.614   30.879   3.4021   33.599   3.1387 -2.719830 4.628821 
1 1 1   19   35    7 o   25.408   1.9134   77.856   11.396   65.500   15.787   91.300   16.467   22.942   2.9848   27.301   2.5851 -4.358942 3.948662 
1 1 1   19   35    8 f   26.287   2.0715   83.640   12.755   91.900   17.995   75.300   18.081   27.281   2.8347   24.521   3.1990 2.760813 4.274193 
1 1 1   19   35    9 o   21.134   1.8634   53.968   9.2041   39.700   12.980   68.400   13.054   17.678   3.2283   23.657   2.3686 -5.979202 4.004014 
1 1 1   19   35   10 o   8.6844   1.8299   9.3782   3.6341   5.9000   4.8575   13.800   5.4769   7.1808   2.4191   10.487   2.2769 -3.306637 3.322049 
1 1 1   19   35   11 o   12.257   1.8307   18.410   5.1362   22.800   7.6461   14.800   6.9335   13.492   2.4917   10.793   2.7212 2.699285 3.689609 
1 1 1   19   35   12 o   27.968   3.0708   97.800   19.946   0.0000   0.0000   97.800   19.946  ?   ?    27.968   3.0708 0.000000 3.070791 
1 1 1   19   35   13 o   39.762   3.8742  202.900   35.914   0.0000   0.0000  202.900   35.914  ?   ?    39.762   3.8742 0.000000 3.874242 
1 1 1   19   35   14 o   17.386   2.7818   38.000   11.036   0.0000   0.0000   38.000   11.036  ?   ?    17.386   2.7818 0.000000 2.781797 
1 1 1   19   35   15 o   10.522   2.6624   14.100   6.6203   0.0000   0.0000   14.100   6.6203  ?   ?    10.522   2.6624 0.000000 2.662364 
1 1 1   19   35   16 o   36.992   3.7284  175.700   32.124   0.0000   0.0000  175.700   32.124  ?   ?    36.992   3.7284 0.000000 3.728351 
1 1 1   19   35   17 o   8.9166   2.5297  10.0000   5.5728   0.0000   0.0000  10.0000   5.5728  ?   ?    8.9166   2.5297 0.000000 2.529687 
1 1 1   19   35   18 o   33.997   3.5475  147.900   28.060   0.0000   0.0000  147.900   28.060  ?   ?    33.997   3.5475 0.000000 3.547531 
1 1 1   19   35   19 o   9.3555   2.8257   11.000   6.7680   0.0000   0.0000   11.000   6.7680  ?   ?    9.3555   2.8257 0.000000 2.825651 
1 1 1   19   35   20 o   39.792   3.9415  207.400   36.548   0.0000   0.0000  207.400   36.548  ?   ?    39.792   3.9415 0.000000 3.941485 
1 1 1   19   35   21 o   8.5395   2.4424   9.2000   5.1733   0.0000   0.0000   9.2000   5.1733  ?   ?    8.5395   2.4424 0.000000 2.442425 
1 1 1   19   35   22 o   23.713   2.9030   71.500   15.916   0.0000   0.0000   71.500   15.916  ?   ?    23.713   2.9030 0.000000 2.903000 
1 1 1   19   35   23 o   22.879   2.8900   67.000   15.265   0.0000   0.0000   67.000   15.265  ?   ?    22.879   2.8900 0.000000 2.889960 
1 1 1   19   35   24 o   17.072   2.7224   37.600   10.606   0.0000   0.0000   37.600   10.606  ?   ?    17.072   2.7224 0.000000 2.722378 
1 1 1   19   35   25 o   33.883   3.7919  158.500   29.819   0.0000   0.0000  158.500   29.819  ?   ?    33.883   3.7919 0.000000 3.791911 
1 1 1   19   35   26 o   17.608   2.8976   41.200   11.629   0.0000   0.0000   41.200   11.629  ?   ?    17.608   2.8976 0.000000 2.897633 
1 1 1   19   35   27 o   15.793   2.7187   33.200   9.7734   0.0000   0.0000   33.200   9.7734  ?   ?    15.793   2.7187 0.000000 2.718717 
1 1 1   19   35   28 o   3.3341   1.4912  -0.9000   2.4083   0.0000   0.0000  -0.9000   2.4083  ?   ?    3.3341   1.4912 0.000000 1.491193 
1 1 1   19   35   29 o   14.298   2.7732   27.900   9.0254   0.0000   0.0000   27.900   9.0254  ?   ?    14.298   2.7732 0.000000 2.773209 
1 1 1   19   35   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   35   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   35   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   36    0 o   23.693   2.9117   70.400   15.631   70.400   15.631   70.400   15.631   23.693   2.9117   23.693   2.9117 0.000000 0.000000 
1 1 1   19   36    1 o   19.028   1.8224   43.772   8.0884   27.300   11.378   60.600   11.500   14.564   3.3746   22.306   2.2126 -7.742655 4.035248 
1 1 1   19   36    2 o   6.8542   1.8477   5.8236   3.0586   4.6000   4.3686   7.0000   4.2836   6.5301   2.2907   7.5546   2.2404 -1.024439 3.204204 
1 1 1   19   36    3 o   5.6231   1.9420   3.4539   3.1338   6.8000   3.8827  -2.8000   5.3081   7.4182   2.1140   4.8108   2.1773 2.607322 3.034730 
1 1 1   19   36    4 o   34.480   2.4221  144.909   19.596  155.200   27.568  134.400   27.859   35.195   3.3579   32.540   3.6910 2.655766 4.989910 
1 1 1   19   36    5 o   27.979   2.1525   95.002   14.112   77.100   20.015  112.700   19.901   24.615   3.5456   30.205   2.8228 -5.589937 4.532114 
1 1 1   19   36    6 o   40.742   2.6437  203.436   25.297  182.700   35.720  224.300   35.831   37.667   4.0813   42.118   3.6384 -4.450600 5.467621 
1 1 1   19   36    7 o   39.721   2.4098  192.303   22.496  157.300   31.383  229.300   32.264   35.065   3.8538   42.882   3.2095 -7.817654 5.015261 
1 1 1   19   36    8 o   11.552   1.8659   16.418   4.9165   15.400   6.7072   17.600   7.2279   11.020   2.6165   11.780   2.6612 -0.7601843 3.732027 
1 1 1   19   36    9 o   28.098   2.2474   96.198   14.787   70.200   21.076  121.400   20.751   23.200   3.9912   31.311   2.8373 -8.111898 4.896907 
1 1 1   19   36   10 o   27.797   3.0858   96.800   19.913   0.0000   0.0000   96.800   19.913  ?   ?    27.797   3.0858 0.000000 3.085776 
1 1 1   19   36   11 o   22.947   2.8726   65.800   15.225   0.0000   0.0000   65.800   15.225  ?   ?    22.947   2.8726 0.000000 2.872607 
1 1 1   19   36   12 o   22.379   2.8451   62.600   14.695   0.0000   0.0000   62.600   14.695  ?   ?    22.379   2.8451 0.000000 2.845123 
1 1 1   19   36   13 o   30.761   3.2577  119.400   23.303   0.0000   0.0000  119.400   23.303  ?   ?    30.761   3.2577 0.000000 3.257715 
1 1 1   19   36   14 o   14.789   2.7631   27.700   9.2946   0.0000   0.0000   27.700   9.2946  ?   ?    14.789   2.7631 0.000000 2.763118 
1 1 1   19   36   15 o   45.209   4.3784  269.500   46.156   0.0000   0.0000  269.500   46.156  ?   ?    45.209   4.3784 0.000000 4.378407 
1 1 1   19   36   16 o   35.020   3.6510  157.600   29.748   0.0000   0.0000  157.600   29.748  ?   ?    35.020   3.6510 0.000000 3.651035 
1 1 1   19   36   17 o   8.9248   2.6356  10.0000   5.9383   0.0000   0.0000  10.0000   5.9383  ?   ?    8.9248   2.6356 0.000000 2.635637 
1 1 1   19   36   18 o   6.9546   2.5578   4.9000   5.5201   0.0000   0.0000   4.9000   5.5201  ?   ?    6.9546   2.5578 0.000000 2.557789 
1 1 1   19   36   19 o   36.879   3.7321  177.100   32.054   0.0000   0.0000  177.100   32.054  ?   ?    36.879   3.7321 0.000000 3.732140 
1 1 1   19   36   20 o   20.270   2.7435   52.000   12.794   0.0000   0.0000   52.000   12.794  ?   ?    20.270   2.7435 0.000000 2.743490 
1 1 1   19   36   21 f   16.115   2.6351   33.100   9.6809   0.0000   0.0000   33.100   9.6809  ?   ?    16.115   2.6351 0.000000 2.635113 
1 1 1   19   36   22 o   12.922   2.6117   21.600   7.6950   0.0000   0.0000   21.600   7.6950  ?   ?    12.922   2.6117 0.000000 2.611749 
1 1 1   19   36   23 o   20.617   2.9502   55.600   13.954   0.0000   0.0000   55.600   13.954  ?   ?    20.617   2.9502 0.000000 2.950201 
1 1 1   19   36   24 o   18.771   2.9681   46.700   12.718   0.0000   0.0000   46.700   12.718  ?   ?    18.771   2.9681 0.000000 2.968085 
1 1 1   19   36   25 o   8.2680   2.6988   8.8000   6.0577   0.0000   0.0000   8.8000   6.0577  ?   ?    8.2680   2.6988 0.000000 2.698807 
1 1 1   19   36   26 o   12.172   2.5871   19.800   7.2066   0.0000   0.0000   19.800   7.2066  ?   ?    12.172   2.5871 0.000000 2.587073 
1 1 1   19   36   27 o   15.113   2.8516   31.100   9.8031   0.0000   0.0000   31.100   9.8031  ?   ?    15.113   2.8516 0.000000 2.851575 
1 1 1   19   36   28 o   5.5412   2.2779   1.9000   4.7890   0.0000   0.0000   1.9000   4.7890  ?   ?    5.5412   2.2779 0.000000 2.277930 
1 1 1   19   36   29 o   6.3282   2.4471   4.0000   5.1987   0.0000   0.0000   4.0000   5.1987  ?   ?    6.3282   2.4471 0.000000 2.447074 
1 1 1   19   36   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   36   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   37    0 o   6.5209   2.9417   7.4000   4.8619   7.4000   4.8619   7.4000   4.8619   6.5209   2.9417   6.5209   2.9417 0.000000 0.000000 
1 1 1   19   37    1 o   22.879   1.7663   63.140   9.4690   42.600   13.020   86.200   13.796   18.328   3.1202   26.605   2.2161 -8.276669 3.827138 
1 1 1   19   37    2 o   30.712   2.2718  114.868   16.358  126.800   23.022  102.700   23.248   31.871   3.0982   28.421   3.5409 3.449995 4.704951 
1 1 1   19   37    3 o   26.627   2.0581   86.009   12.840   75.800   18.122   96.300   18.196   24.524   3.2062   27.879   2.8019 -3.354843 4.257965 
1 1 1   19   37    4 f   10.959   1.9182   14.848   4.7831   17.000   6.3376   12.000   7.2906   11.630   2.3878   9.7878   2.9274 1.841805 3.777743 
1 1 1   19   37    5 o   26.155   2.0590   83.040   12.614   82.500   17.681   83.600   18.001   25.700   2.9680   25.856   3.0043 -0.1556053 4.223072 
1 1 1   19   37    6 o   59.461   3.6922  448.891   51.585  449.800   73.323  448.000   72.586   57.173   5.4990   57.133   5.4462 0.3937531E-01 7.739477 
1 1 1   19   37    7 o   20.116   2.9033   50.800   13.392   0.0000   0.0000   50.800   13.392  ?   ?    20.116   2.9033 0.000000 2.903344 
1 1 1   19   37    8 o   19.448   2.9288   47.600   13.033   0.0000   0.0000   47.600   13.033  ?   ?    19.448   2.9288 0.000000 2.928755 
1 1 1   19   37    9 o   39.741   3.9280  203.600   36.378   0.0000   0.0000  203.600   36.378  ?   ?    39.741   3.9280 0.000000 3.927976 
1 1 1   19   37   10 o   11.365   2.7755   16.500   7.3842   0.0000   0.0000   16.500   7.3842  ?   ?    11.365   2.7755 0.000000 2.775460 
1 1 1   19   37   11 o   30.139   3.2499  114.600   22.764   0.0000   0.0000  114.600   22.764  ?   ?    30.139   3.2499 0.000000 3.249927 
1 1 1   19   37   12 o   14.263   2.6678   25.700   8.6550   0.0000   0.0000   25.700   8.6550  ?   ?    14.263   2.6678 0.000000 2.667849 
1 1 1   19   37   13 o   25.846   3.0177   84.000   18.071   0.0000   0.0000   84.000   18.071  ?   ?    25.846   3.0177 0.000000 3.017713 
1 1 1   19   37   14 o   45.931   4.4599  280.700   47.763   0.0000   0.0000  280.700   47.763  ?   ?    45.931   4.4599 0.000000 4.459905 
1 1 1   19   37   15 o   25.146   3.0405   79.900   17.687   0.0000   0.0000   79.900   17.687  ?   ?    25.146   3.0405 0.000000 3.040536 
1 1 1   19   37   16 o   20.895   2.8577   55.100   13.731   0.0000   0.0000   55.100   13.731  ?   ?    20.895   2.8577 0.000000 2.857717 
1 1 1   19   37   17 o   25.509   3.0529   82.700   18.024   0.0000   0.0000   82.700   18.024  ?   ?    25.509   3.0529 0.000000 3.052920 
1 1 1   19   37   18 o   19.393   2.8028   47.800   12.463   0.0000   0.0000   47.800   12.463  ?   ?    19.393   2.8028 0.000000 2.802765 
1 1 1   19   37   19 o   6.9809   2.2400   5.9000   4.1842   0.0000   0.0000   5.9000   4.1842  ?   ?    6.9809   2.2400 0.000000 2.239990 
1 1 1   19   37   20 o   4.3894   1.7983   0.9000   2.9720   0.0000   0.0000   0.9000   2.9720  ?   ?    4.3894   1.7983 0.000000 1.798301 
1 1 1   19   37   21 f   22.654   2.9168   66.700   15.241   0.0000   0.0000   66.700   15.241  ?   ?    22.654   2.9168 0.000000 2.916806 
1 1 1   19   37   22 o   18.683   2.7561   45.500   11.794   0.0000   0.0000   45.500   11.794  ?   ?    18.683   2.7561 0.000000 2.756062 
1 1 1   19   37   23 o   6.0898   2.2194   4.0000   4.1428   0.0000   0.0000   4.0000   4.1428  ?   ?    6.0898   2.2194 0.000000 2.219439 
1 1 1   19   37   24 o   12.211   2.8044   20.200   7.9157   0.0000   0.0000   20.200   7.9157  ?   ?    12.211   2.8044 0.000000 2.804370 
1 1 1   19   37   25 o   4.6529   2.0328  -0.4000   4.2285   0.0000   0.0000  -0.4000   4.2285  ?   ?    4.6529   2.0328 0.000000 2.032764 
1 1 1   19   37   26 o   8.7578   2.5387   10.300   5.5553   0.0000   0.0000   10.300   5.5553  ?   ?    8.7578   2.5387 0.000000 2.538728 
1 1 1   19   37   27 o   5.0121   2.1435   0.5000   4.5070   0.0000   0.0000   0.5000   4.5070  ?   ?    5.0121   2.1435 0.000000 2.143470 
1 1 1   19   37   28 o   7.4707   2.5527   7.1000   5.4097   0.0000   0.0000   7.1000   5.4097  ?   ?    7.4707   2.5527 0.000000 2.552678 
1 1 1   19   37   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38    0 o   5.0746   2.9587   3.8000   5.8733   3.8000   5.8733   3.8000   5.8733   5.0746   2.9587   5.0746   2.9587 0.000000 0.000000 
1 1 1   19   38    1 o   27.571   2.1109   92.395   13.639   93.600   19.330   91.200   19.246   27.340   3.0460   26.968   3.0774 0.3719921 4.329965 
1 1 1   19   38    2 o   31.901   2.3239  124.240   17.385  144.400   24.532  103.900   24.641   33.990   3.0902   28.411   3.7658 5.579466 4.871407 
1 1 1   19   38    3 o   25.168   1.9614   76.770   11.565   67.000   16.170   87.000   16.547   23.085   3.0403   26.517   2.6793 -3.432413 4.052426 
1 1 1   19   38    4 o   38.526   2.4916  181.803   22.546  211.500   32.076  152.800   31.698   40.992   3.3428   34.363   3.9801 6.628838 5.197704 
1 1 1   19   38    5 o   37.777   3.7944  183.000   33.390   0.0000   0.0000  183.000   33.390  ?   ?    37.777   3.7944 0.000000 3.794354 
1 1 1   19   38    6 o   12.033   2.9895   18.600   8.4568   0.0000   0.0000   18.600   8.4568  ?   ?    12.033   2.9895 0.000000 2.989491 
1 1 1   19   38    7 o   31.786   3.3379  127.700   24.680   0.0000   0.0000  127.700   24.680  ?   ?    31.786   3.3379 0.000000 3.337916 
1 1 1   19   38    8 o   56.384   5.4275  439.000   71.371   0.0000   0.0000  439.000   71.371  ?   ?    56.384   5.4275 0.000000 5.427539 
1 1 1   19   38    9 o   13.044   2.8938   21.800   8.6804   0.0000   0.0000   21.800   8.6804  ?   ?    13.044   2.8938 0.000000 2.893847 
1 1 1   19   38   10 o   19.626   2.9617   48.700   13.298   0.0000   0.0000   48.700   13.298  ?   ?    19.626   2.9617 0.000000 2.961708 
1 1 1   19   38   11 o   31.397   3.3823  125.500   24.680   0.0000   0.0000  125.500   24.680  ?   ?    31.397   3.3823 0.000000 3.382350 
1 1 1   19   38   12 o   35.057   3.6507  158.300   29.778   0.0000   0.0000  158.300   29.778  ?   ?    35.057   3.6507 0.000000 3.650693 
1 1 1   19   38   13 o   6.8051   2.4712   4.8000   5.1294   0.0000   0.0000   4.8000   5.1294  ?   ?    6.8051   2.4712 0.000000 2.471216 
1 1 1   19   38   14 o   13.011   2.9508   21.900   8.8570   0.0000   0.0000   21.900   8.8570  ?   ?    13.011   2.9508 0.000000 2.950755 
1 1 1   19   38   15 o   41.719   4.2340  233.300   41.133   0.0000   0.0000  233.300   41.133  ?   ?    41.719   4.2340 0.000000 4.234034 
1 1 1   19   38   16 o   20.923   2.8471   55.700   13.701   0.0000   0.0000   55.700   13.701  ?   ?    20.923   2.8471 0.000000 2.847116 
1 1 1   19   38   17 o   3.8200   1.7151  -1.4000   3.2184   0.0000   0.0000  -1.4000   3.2184  ?   ?    3.8200   1.7151 0.000000 1.715095 
1 1 1   19   38   18 o   11.278   2.5663   16.500   6.6806   0.0000   0.0000   16.500   6.6806  ?   ?    11.278   2.5663 0.000000 2.566332 
1 1 1   19   38   19 o   23.482   2.9598   71.800   16.047   0.0000   0.0000   71.800   16.047  ?   ?    23.482   2.9598 0.000000 2.959768 
1 1 1   19   38   20 o   22.858   2.8971   68.300   15.286   0.0000   0.0000   68.300   15.286  ?   ?    22.858   2.8971 0.000000 2.897133 
1 1 1   19   38   21 o   1.8475   0.9329  -6.4000   1.9423   0.0000   0.0000  -6.4000   1.9423  ?   ?    1.8475   0.9329 0.000000 0.9329171 
1 1 1   19   38   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   38   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39    0 o   15.367   2.9863   31.400   9.6613   31.400   9.6613   31.400   9.6613   15.367   2.9863   15.367   2.9863 0.000000 0.000000 
1 1 1   19   39    1 o   14.406   1.9724   25.476   6.5335   19.300   9.3377   31.400   9.1450   12.211   3.1997   15.847   2.5288 -3.635701 4.078389 
1 1 1   19   39    2 o   22.548   2.8282   63.600   14.728   0.0000   0.0000   63.600   14.728  ?   ?    22.548   2.8282 0.000000 2.828242 
1 1 1   19   39    3 o   45.988   4.4472  279.700   47.691   0.0000   0.0000  279.700   47.691  ?   ?    45.988   4.4472 0.000000 4.447248 
1 1 1   19   39    4 o   19.557   2.7416   47.900   12.313   0.0000   0.0000   47.900   12.313  ?   ?    19.557   2.7416 0.000000 2.741559 
1 1 1   19   39    5 o   22.345   2.9366   62.800   15.119   0.0000   0.0000   62.800   15.119  ?   ?    22.345   2.9366 0.000000 2.936595 
1 1 1   19   39    6 o   32.110   3.4213  131.300   25.542   0.0000   0.0000  131.300   25.542  ?   ?    32.110   3.4213 0.000000 3.421266 
1 1 1   19   39    7 o   18.676   2.8932   44.100   12.346   0.0000   0.0000   44.100   12.346  ?   ?    18.676   2.8932 0.000000 2.893164 
1 1 1   19   39    8 o   35.069   3.5844  157.800   29.265   0.0000   0.0000  157.800   29.265  ?   ?    35.069   3.5844 0.000000 3.584398 
1 1 1   19   39    9 o   21.775   2.8742   59.700   14.418   0.0000   0.0000   59.700   14.418  ?   ?    21.775   2.8742 0.000000 2.874163 
1 1 1   19   39   10 f   9.8997   2.8165   12.500   6.8980   0.0000   0.0000   12.500   6.8980  ?   ?    9.8997   2.8165 0.000000 2.816491 
1 1 1   19   39   11 o   41.853   4.2000  233.100   40.949   0.0000   0.0000  233.100   40.949  ?   ?    41.853   4.2000 0.000000 4.200001 
1 1 1   19   39   12 o   24.451   3.1086   76.400   17.542   0.0000   0.0000   76.400   17.542  ?   ?    24.451   3.1086 0.000000 3.108610 
1 1 1   19   39   13 o   17.624   2.8396   39.700   11.416   0.0000   0.0000   39.700   11.416  ?   ?    17.624   2.8396 0.000000 2.839625 
1 1 1   19   39   14 o   10.238   2.7847   13.600   6.9106   0.0000   0.0000   13.600   6.9106  ?   ?    10.238   2.7847 0.000000 2.784679 
1 1 1   19   39   15 o   2.7372   1.3450  -6.1000   3.0148   0.0000   0.0000  -6.1000   3.0148  ?   ?    2.7372   1.3450 0.000000 1.344974 
1 1 1   19   39   16 o   7.9969   2.5341   8.0000   5.3681   0.0000   0.0000   8.0000   5.3681  ?   ?    7.9969   2.5341 0.000000 2.534134 
1 1 1   19   39   17 o   10.590   2.8640   14.900   7.3345   0.0000   0.0000   14.900   7.3345  ?   ?    10.590   2.8640 0.000000 2.864036 
1 1 1   19   39   18 o   27.175   3.3143   99.000   20.827   0.0000   0.0000   99.000   20.827  ?   ?    27.175   3.3143 0.000000 3.314293 
1 1 1   19   39   19 f   9.3460   2.7566   11.600   6.4995   0.0000   0.0000   11.600   6.4995  ?   ?    9.3460   2.7566 0.000000 2.756614 
1 1 1   19   39   20 o   10.881   2.8697   16.100   7.4794   0.0000   0.0000   16.100   7.4794  ?   ?    10.881   2.8697 0.000000 2.869734 
1 1 1   19   39   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   39   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40    3 o   17.161   2.7483   37.200   10.761   0.0000   0.0000   37.200   10.761  ?   ?    17.161   2.7483 0.000000 2.748264 
1 1 1   19   40    4 o   24.139   3.0347   73.800   16.916   0.0000   0.0000   73.800   16.916  ?   ?    24.139   3.0347 0.000000 3.034679 
1 1 1   19   40    5 o   26.107   3.1195   86.600   18.850   0.0000   0.0000   86.600   18.850  ?   ?    26.107   3.1195 0.000000 3.119459 
1 1 1   19   40    6 o   30.904   3.3155  122.200   23.817   0.0000   0.0000  122.200   23.817  ?   ?    30.904   3.3155 0.000000 3.315460 
1 1 1   19   40    7 o   20.295   2.9760   52.500   13.839   0.0000   0.0000   52.500   13.839  ?   ?    20.295   2.9760 0.000000 2.975997 
1 1 1   19   40    8 o   32.429   3.5100  136.300   26.450   0.0000   0.0000  136.300   26.450  ?   ?    32.429   3.5100 0.000000 3.509965 
1 1 1   19   40    9 o   14.826   2.9150   28.400   9.8414   0.0000   0.0000   28.400   9.8414  ?   ?    14.826   2.9150 0.000000 2.915021 
1 1 1   19   40   10 o   15.379   2.7369   30.300   9.5748   0.0000   0.0000   30.300   9.5748  ?   ?    15.379   2.7369 0.000000 2.736919 
1 1 1   19   40   11 o   29.909   3.2979  116.200   22.904   0.0000   0.0000  116.200   22.904  ?   ?    29.909   3.2979 0.000000 3.297901 
1 1 1   19   40   12 o   18.830   2.7771   45.500   11.978   0.0000   0.0000   45.500   11.978  ?   ?    18.830   2.7771 0.000000 2.777090 
1 1 1   19   40   13 o   22.481   2.9535   65.500   15.300   0.0000   0.0000   65.500   15.300  ?   ?    22.481   2.9535 0.000000 2.953548 
1 1 1   19   40   14 f   16.685   2.7650   36.200   10.512   0.0000   0.0000   36.200   10.512  ?   ?    16.685   2.7650 0.000000 2.764982 
1 1 1   19   40   15 o   15.511   2.7691   31.500   9.7704   0.0000   0.0000   31.500   9.7704  ?   ?    15.511   2.7691 0.000000 2.769062 
1 1 1   19   40   16 o   8.9888   2.9026   10.500   7.0171   0.0000   0.0000   10.500   7.0171  ?   ?    8.9888   2.9026 0.000000 2.902555 
1 1 1   19   40   17 o   9.6312   2.7950   12.400   6.7302   0.0000   0.0000   12.400   6.7302  ?   ?    9.6312   2.7950 0.000000 2.795018 
1 1 1   19   40   18 o   7.3911   2.7664   6.0000   6.5106   0.0000   0.0000   6.0000   6.5106  ?   ?    7.3911   2.7664 0.000000 2.766355 
1 1 1   19   40   19 o   22.048   3.0037   65.500   15.231   0.0000   0.0000   65.500   15.231  ?   ?    22.048   3.0037 0.000000 3.003696 
1 1 1   19   40   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   40   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41    6 o   20.297   3.1084   53.500   14.424   0.0000   0.0000   53.500   14.424  ?   ?    20.297   3.1084 0.000000 3.108435 
1 1 1   19   41    7 o   8.7000   2.6631   9.6000   5.9834   0.0000   0.0000   9.6000   5.9834  ?   ?    8.7000   2.6631 0.000000 2.663082 
1 1 1   19   41    8 o   6.1432   2.2481   3.9000   4.2565   0.0000   0.0000   3.9000   4.2565  ?   ?    6.1432   2.2481 0.000000 2.248055 
1 1 1   19   41    9 o   39.194   4.1347  212.400   37.689   0.0000   0.0000  212.400   37.689  ?   ?    39.194   4.1347 0.000000 4.134675 
1 1 1   19   41   10 o   3.7659   1.7388  -2.7000   3.6152   0.0000   0.0000  -2.7000   3.6152  ?   ?    3.7659   1.7388 0.000000 1.738799 
1 1 1   19   41   11 o   19.218   2.9849   48.500   13.106   0.0000   0.0000   48.500   13.106  ?   ?    19.218   2.9849 0.000000 2.984900 
1 1 1   19   41   12 o   10.836   2.8967   15.700   7.5546   0.0000   0.0000   15.700   7.5546  ?   ?    10.836   2.8967 0.000000 2.896678 
1 1 1   19   41   13 f   14.409   2.8406   27.600   9.3218   0.0000   0.0000   27.600   9.3218  ?   ?    14.409   2.8406 0.000000 2.840645 
1 1 1   19   41   14 o   33.221   3.8225  155.300   29.439   0.0000   0.0000  155.300   29.439  ?   ?    33.221   3.8225 0.000000 3.822461 
1 1 1   19   41   15 o   17.610   2.8634   41.300   11.498   0.0000   0.0000   41.300   11.498  ?   ?    17.610   2.8634 0.000000 2.863427 
1 1 1   19   41   16 o   9.6960   2.9063   12.700   7.1800   0.0000   0.0000   12.700   7.1800  ?   ?    9.6960   2.9063 0.000000 2.906315 
1 1 1   19   41   17 o   7.6178   2.5621   7.3000   5.4490   0.0000   0.0000   7.3000   5.4490  ?   ?    7.6178   2.5621 0.000000 2.562124 
1 1 1   19   41   18 o   8.9385   2.8121   10.700   6.6202   0.0000   0.0000   10.700   6.6202  ?   ?    8.9385   2.8121 0.000000 2.812087 
1 1 1   19   41   19 o   7.0455   2.5525   5.8000   5.4675   0.0000   0.0000   5.8000   5.4675  ?   ?    7.0455   2.5525 0.000000 2.552472 
1 1 1   19   41   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   41   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42   10 o   7.2403   2.6056   6.0000   5.6850   0.0000   0.0000   6.0000   5.6850  ?   ?    7.2403   2.6056 0.000000 2.605638 
1 1 1   19   42   11 o   11.139   2.6225   16.500   6.7840   0.0000   0.0000   16.500   6.7840  ?   ?    11.139   2.6225 0.000000 2.622545 
1 1 1   19   42   12 o   18.661   2.8173   46.100   12.028   0.0000   0.0000   46.100   12.028  ?   ?    18.661   2.8173 0.000000 2.817297 
1 1 1   19   42   13 o   19.755   2.8606   51.900   12.955   0.0000   0.0000   51.900   12.955  ?   ?    19.755   2.8606 0.000000 2.860568 
1 1 1   19   42   14 o   6.2006   2.2343   4.3000   4.1814   0.0000   0.0000   4.3000   4.1814  ?   ?    6.2006   2.2343 0.000000 2.234326 
1 1 1   19   42   15 o   24.803   3.2120   84.400   18.371   0.0000   0.0000   84.400   18.371  ?   ?    24.803   3.2120 0.000000 3.212032 
1 1 1   19   42   16 o   10.668   2.9907   15.800   7.8372   0.0000   0.0000   15.800   7.8372  ?   ?    10.668   2.9907 0.000000 2.990701 
1 1 1   19   42   17 o   17.606   2.9427   42.200   11.802   0.0000   0.0000   42.200   11.802  ?   ?    17.606   2.9427 0.000000 2.942715 
1 1 1   19   42   18 o   10.262   2.8653   14.500   7.2091   0.0000   0.0000   14.500   7.2091  ?   ?    10.262   2.8653 0.000000 2.865304 
1 1 1   19   42   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   42   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   43   15 o   10.011   2.9599   13.800   7.4854   0.0000   0.0000   13.800   7.4854  ?   ?    10.011   2.9599 0.000000 2.959894 
1 1 1   19   43   16 o   9.5802   2.8710   12.600   7.0071   0.0000   0.0000   12.600   7.0071  ?   ?    9.5802   2.8710 0.000000 2.870998 
1 1 1   19   43   17 o   5.7021   2.1721   3.2000   4.0547   0.0000   0.0000   3.2000   4.0547  ?   ?    5.7021   2.1721 0.000000 2.172132 
1 1 1   19   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   44   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   45   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   46    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   46    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   19   46    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0    0 o   58.313   4.9463  411.400   66.982  411.400   66.982  411.400   66.982   58.313   4.9463   58.313   4.9463 0.000000 0.000000 
1 1 1   20    0    1 o   94.570   7.6355  1093.10  167.954  1093.10  167.954  1093.10  167.954   94.570   7.6355   94.570   7.6355 0.000000 0.000000 
1 1 1   20    0    2 o  105.679   5.7982  1342.76  143.696  1342.76  143.696  1342.76  143.696  105.679   5.7982  105.679   5.7982 0.000000 0.000000 
1 1 1   20    0    3 o   63.962   3.6726  489.624   55.052  489.624   55.052  489.624   55.052   63.962   3.6726   63.962   3.6726 0.000000 0.000000 
1 1 1   20    0    4 o   58.201   3.4486  405.505   47.015  405.505   47.015  405.505   47.015   58.201   3.4486   58.201   3.4486 0.000000 0.000000 
1 1 1   20    0    5 o   77.188   4.1629  713.171   75.372  713.171   75.372  713.171   75.372   77.188   4.1629   77.188   4.1629 0.000000 0.000000 
1 1 1   20    0    6 o   73.338   4.2494  644.888   73.025  644.888   73.025  644.888   73.025   73.338   4.2494   73.338   4.2494 0.000000 0.000000 
1 1 1   20    0    7 o   38.609   2.6042  178.762   23.494  178.762   23.494  178.762   23.494   38.609   2.6042   38.609   2.6042 0.000000 0.000000 
1 1 1   20    0    8 o   63.142   3.7136  477.755   54.932  477.755   54.932  477.755   54.932   63.142   3.7136   63.142   3.7136 0.000000 0.000000 
1 1 1   20    0    9 o   87.066   4.9640  911.356  101.297  911.356  101.297  911.356  101.297   87.066   4.9640   87.066   4.9640 0.000000 0.000000 
1 1 1   20    0   10 o   83.917   4.7380  846.109   93.204  846.109   93.204  846.109   93.204   83.917   4.7380   83.917   4.7380 0.000000 0.000000 
1 1 1   20    0   11 o   54.652   3.2535  357.806   41.647  357.806   41.647  357.806   41.647   54.652   3.2535   54.652   3.2535 0.000000 0.000000 
1 1 1   20    0   12 o   38.130   2.5029  174.299   22.312  174.299   22.312  174.299   22.312   38.130   2.5029   38.130   2.5029 0.000000 0.000000 
1 1 1   20    0   13 o   42.182   2.6638  213.231   26.291  213.231   26.291  213.231   26.291   42.182   2.6638   42.182   2.6638 0.000000 0.000000 
1 1 1   20    0   14 o   34.642   3.4064  146.500   27.247  146.500   27.247  146.500   27.247   34.642   3.4064   34.642   3.4064 0.000000 0.000000 
1 1 1   20    0   15 o   60.202   3.6239  435.251   51.089  435.251   51.089  435.251   51.089   60.202   3.6239   60.202   3.6239 0.000000 0.000000 
1 1 1   20    0   16 o   62.631   3.4348  470.089   50.450  470.089   50.450  470.089   50.450   62.631   3.4348   62.631   3.4348 0.000000 0.000000 
1 1 1   20    0   17 o   13.418   1.7382   22.338   5.2527   22.338   5.2527   22.338   5.2527   13.418   1.7382   13.418   1.7382 0.000000 0.000000 
1 1 1   20    0   18 o   2.0958   1.3500  -0.0088   1.5416  -0.0088   1.5416  -0.0088   1.5416   2.0958   1.3500   2.0958   1.3500 0.000000 0.000000 
1 1 1   20    0   19 o   83.835   4.6527  848.289   91.458  848.289   91.458  848.289   91.458   83.835   4.6527   83.835   4.6527 0.000000 0.000000 
1 1 1   20    0   20 f   28.669   2.1351   98.923   14.270   98.923   14.270   98.923   14.270   28.669   2.1351   28.669   2.1351 0.000000 0.000000 
1 1 1   20    0   21 o   55.898   3.3266  375.613   43.554  375.613   43.554  375.613   43.554   55.898   3.3266   55.898   3.3266 0.000000 0.000000 
1 1 1   20    0   22 o   44.209   2.7800  234.800   28.758  234.800   28.758  234.800   28.758   44.209   2.7800   44.209   2.7800 0.000000 0.000000 
1 1 1   20    0   23 o   9.4383   2.1476   12.043   4.1718   12.043   4.1718   12.043   4.1718   9.4383   2.1476   9.4383   2.1476 0.000000 0.000000 
1 1 1   20    0   24 o   2.3913   1.4347   0.6802   1.4543   0.6802   1.4543   0.6802   1.4543   2.3913   1.4347   2.3913   1.4347 0.000000 0.000000 
1 1 1   20    0   25 o  ?   ?   -3.1279   0.3861  -3.1279   0.3861  -3.1279   0.3861  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   20    0   26 o   5.8184   1.7551   4.9600   2.1028   4.9600   2.1028   4.9600   2.1028   5.8184   1.7551   5.8184   1.7551 0.000000 0.000000 
1 1 1   20    0   27 o   32.629   3.3297  131.400   25.043  131.400   25.043  131.400   25.043   32.629   3.3297   32.629   3.3297 0.000000 0.000000 
1 1 1   20    0   28 o   17.397   2.8232   38.800   10.682   38.800   10.682   38.800   10.682   17.397   2.8232   17.397   2.8232 0.000000 0.000000 
1 1 1   20    0   29 o   24.826   2.9638   76.800   16.721   76.800   16.721   76.800   16.721   24.826   2.9638   24.826   2.9638 0.000000 0.000000 
1 1 1   20    0   30 o   24.768   2.9927   76.600   16.825   76.600   16.825   76.600   16.825   24.768   2.9927   24.768   2.9927 0.000000 0.000000 
1 1 1   20    0   31 o   12.917   2.8665   22.600   7.6426   22.600   7.6426   22.600   7.6426   12.917   2.8665   12.917   2.8665 0.000000 0.000000 
1 1 1   20    0   32 o   5.7394   2.7916   5.8000   4.4422   5.8000   4.4422   5.8000   4.4422   5.7394   2.7916   5.7394   2.7916 0.000000 0.000000 
1 1 1   20    0   33 o   37.254   3.6946  173.000   31.768  173.000   31.768  173.000   31.768   37.254   3.6946   37.254   3.6946 0.000000 0.000000 
1 1 1   20    0   34 o   9.2582   3.3819   13.700   6.8152   13.700   6.8152   13.700   6.8152   9.2582   3.3819   9.2582   3.3819 0.000000 0.000000 
1 1 1   20    0   35 o   7.6716   3.4574   10.300   6.7151   10.300   6.7151   10.300   6.7151   7.6716   3.4574   7.6716   3.4574 0.000000 0.000000 
1 1 1   20    0   36 o   8.6214   3.5524   12.600   7.1635   12.600   7.1635   12.600   7.1635   8.6214   3.5524   8.6214   3.5524 0.000000 0.000000 
1 1 1   20    0   37 o   14.278   3.2126   28.000   9.4524   28.000   9.4524   28.000   9.4524   14.278   3.2126   14.278   3.2126 0.000000 0.000000 
1 1 1   20    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    0   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1    0 o   39.232   3.6667  187.100   33.287  187.100   33.287  187.100   33.287   39.232   3.6667   39.232   3.6667 0.000000 0.000000 
1 1 1   20    1    1 o   62.376   3.5944  464.201   52.718  462.700   74.577  465.700   74.533   61.940   5.1454   62.147   5.1246 -0.2068596 7.261994 
1 1 1   20    1    2 o   38.052   2.4785  172.270   22.149  185.400   31.299  159.100   31.348   39.355   3.4014   36.385   3.7001 2.969654 5.025960 
1 1 1   20    1    3 o   41.451   2.6075  204.451   25.393  209.000   35.906  199.900   35.916   41.753   3.6794   40.812   3.7694 0.9416695 5.267433 
1 1 1   20    1    4 o   73.360   4.0288  643.316   69.523  584.600   98.167  702.400   98.474   69.379   6.0527   76.269   5.5048 -6.889954 8.181568 
1 1 1   20    1    5 o   56.163   3.2906  376.103   43.450  384.200   61.437  368.000   61.459   56.496   4.6464   55.258   4.7564 1.237156 6.649212 
1 1 1   20    1    6 o   54.393   3.2225  352.771   41.205  389.900   58.256  315.600   58.290   56.969   4.3637   51.100   4.8904 5.868824 6.554294 
1 1 1   20    1    7 o   98.849   5.5131  1179.76  128.172  1229.70  181.152  1129.70  181.374   99.871   7.7420   95.500   8.1198 4.370560 11.21915 
1 1 1   20    1    8 o   32.589   2.2392  126.408   17.127  136.200   24.212  116.600   24.232   33.719   3.0746   31.132   3.3489 2.587353 4.546199 
1 1 1   20    1    9 o  106.421   5.8908  1373.75  147.458  1543.40  208.536  1204.10  208.540  111.617   7.9643   97.798   9.1360 13.81940 12.12009 
1 1 1   20    1   10 o   14.103   1.6505   23.851   5.3927   24.300   7.6172   23.400   7.6356   14.128   2.3670   13.849   2.4232 0.2794952 3.387389 
1 1 1   20    1   11 o   69.356   3.9754  576.733   64.835  599.200   91.624  554.200   91.758   70.191   5.5739   67.397   5.8227 2.793289 8.060550 
1 1 1   20    1   12 o   63.911   3.6930  489.269   55.496  530.600   78.466  447.900   78.502   66.158   5.0610   60.591   5.5483 5.567711 7.509879 
1 1 1   20    1   13 o  109.321   6.1407  1462.42  157.877  1594.80  223.216  1329.90  223.328  112.434   8.4697  101.885   9.3883 10.54916 12.64417 
1 1 1   20    1   14 o   66.647   3.8600  533.497   60.488  557.900   85.461  509.000   85.624   67.621   5.3971   64.458   5.6837 3.163231 7.837907 
1 1 1   20    1   15 o   52.515   3.1497  329.924   38.879  364.500   54.963  295.300   55.002   54.916   4.2721   49.243   4.7908 5.673115 6.418880 
1 1 1   20    1   16 o   59.019   3.4762  417.785   48.232  437.100   68.150  398.400   68.272   59.936   4.8570   57.111   5.1168 2.824982 7.054901 
1 1 1   20    1   17 o   56.256   3.2741  379.275   43.305  416.600   61.264  342.000   61.223   58.608   4.4603   52.900   4.9590 5.707687 6.669757 
1 1 1   20    1   18 o   76.531   4.3439  708.654   78.178  835.300  110.559  582.000  110.563   82.399   5.7175   68.031   6.9814 14.36851 9.023791 
1 1 1   20    1   19 o   31.580   2.1912  118.996   16.239  135.400   22.968  102.600   22.963   33.565   2.9271   29.083   3.4084 4.482685 4.492792 
1 1 1   20    1   20 o   56.398   3.3629  382.289   44.582  416.100   63.012  348.400   63.085   58.407   4.6061   53.228   5.0808 5.179626 6.857913 
1 1 1   20    1   21 o   45.797   2.7590  251.139   29.698  287.900   42.034  214.500   41.964   48.793   3.6752   41.883   4.3043 6.909782 5.659888 
1 1 1   20    1   22 o   48.198   2.8743  278.644   32.565  317.900   46.087  239.500   46.021   51.188   3.8408   44.171   4.4739 7.016994 5.896374 
1 1 1   20    1   23 o   70.193   4.0035  598.903   66.084  656.000   93.495  541.900   93.418   72.574   5.4964   65.528   6.1077 7.046211 8.216714 
1 1 1   20    1   24 o   48.004   2.9770  277.643   33.579  300.600   47.445  254.600   47.533   49.526   4.0936   45.382   4.4947 4.144356 6.079414 
1 1 1   20    1   25 o   48.020   2.8711  277.969   32.407  314.700   45.881  241.400   45.779   50.696   3.8617   44.098   4.4575 6.597797 5.897608 
1 1 1   20    1   26 o   42.250   2.7214  215.351   27.006  240.700   38.154  189.900   38.231   44.297   3.6809   39.084   4.2088 5.213295 5.591347 
1 1 1   20    1   27 o   33.899   3.3332  141.000   26.336  141.000   26.336   0.0000   0.0000   33.899   3.3332  ?   ?  0.000000 3.333214 
1 1 1   20    1   28 o   31.616   3.2263  122.800   23.749  122.800   23.749   0.0000   0.0000   31.616   3.2263  ?   ?  0.000000 3.226312 
1 1 1   20    1   29 o   8.7873   2.3613   9.6000   5.0046   9.6000   5.0046   0.0000   0.0000   8.7873   2.3613  ?   ?  0.000000 2.361302 
1 1 1   20    1   30 o   45.925   4.2219  266.400   45.272  266.400   45.272   0.0000   0.0000   45.925   4.2219  ?   ?  0.000000 4.221929 
1 1 1   20    1   31 o   14.458   2.4833   25.900   8.1724   25.900   8.1724   0.0000   0.0000   14.458   2.4833  ?   ?  0.000000 2.483299 
1 1 1   20    1   32 o   28.408   3.0461   99.700   20.115   99.700   20.115   0.0000   0.0000   28.408   3.0461  ?   ?  0.000000 3.046101 
1 1 1   20    1   33 o   25.923   2.9145   83.000   17.532   83.000   17.532   0.0000   0.0000   25.923   2.9145  ?   ?  0.000000 2.914528 
1 1 1   20    1   34 o   28.276   3.0494   99.200   20.038   99.200   20.038   0.0000   0.0000   28.276   3.0494  ?   ?  0.000000 3.049393 
1 1 1   20    1   35 o   39.274   3.7899  196.500   34.711  196.500   34.711   0.0000   0.0000   39.274   3.7899  ?   ?  0.000000 3.789931 
1 1 1   20    1   36 o   4.4916   1.7333   1.6000   2.6040   1.6000   2.6040   0.0000   0.0000   4.4916   1.7333  ?   ?  0.000000 1.733293 
1 1 1   20    1   37 o   6.3811   2.1304   4.7000   3.7670   4.7000   3.7670   0.0000   0.0000   6.3811   2.1304  ?   ?  0.000000 2.130372 
1 1 1   20    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    1   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2    0 o   49.362   4.3207  295.700   49.474  295.700   49.474  295.700   49.474   49.362   4.3207   49.362   4.3207 0.000000 0.000000 
1 1 1   20    2    1 o   51.567   3.0974  316.786   37.542  308.400   53.206  325.100   52.980   50.627   4.4974   52.020   4.3530 -1.392765 6.259057 
1 1 1   20    2    2 o   66.601   3.6932  529.360   57.855  590.100   81.913  468.900   81.725   70.032   4.9859   62.221   5.6231 7.811161 7.515155 
1 1 1   20    2    3 o  128.104   6.9665  1997.41  209.943  2215.90  297.001  1779.20  296.806  133.270   9.4999  118.483   10.725 14.78656 14.32718 
1 1 1   20    2    4 o   59.074   3.4194  416.237   47.496  402.100   67.137  430.400   67.201   57.733   4.9732   59.786   4.8005 -2.052979 6.912146 
1 1 1   20    2    5 o  109.559   6.0402  1452.65  155.662  1466.40  220.136  1438.90  220.143  108.709   8.6470  107.624   8.7377 1.084381 12.29303 
1 1 1   20    2    6 f   52.671   3.1372  330.717   38.842  341.400   54.889  320.000   54.974   53.275   4.4026   51.530   4.5651 1.744305 6.342185 
1 1 1   20    2    7 o   90.373   5.0391  983.174  107.107  1003.50  151.382  962.800  151.563   90.441   7.1466   88.497   7.3184 1.944275 10.22899 
1 1 1   20    2    8 o   66.452   3.7869  528.136   59.176  517.300   83.633  539.000   83.742   65.312   5.4733   66.712   5.3612 -1.399879 7.661578 
1 1 1   20    2    9 o   26.962   2.0334   86.566   12.851   94.400   18.155   78.700   18.193   28.065   2.7759   25.552   3.0771 2.512957 4.144172 
1 1 1   20    2   10 o   8.4849   1.6147   8.8000   3.1170   9.0000   4.4080   8.6000   4.4080   8.5526   2.1771   8.3693   2.2011 0.1832409 3.095859 
1 1 1   20    2   11 o  117.431   6.5636  1687.92  181.277  1856.30  256.314  1519.40  256.416  121.307   9.0124  108.815   10.094 12.49210 13.53195 
1 1 1   20    2   12 f   26.482   1.9866   83.538   12.332   90.600   17.455   76.500   17.426   27.484   2.7256   25.188   2.9880 2.295462 4.044388 
1 1 1   20    2   13 f   26.912   2.0041   86.286   12.644   96.100   17.894   76.500   17.869   28.309   2.7099   25.166   3.0706 3.142992 4.095411 
1 1 1   20    2   14 o   36.302   2.3257  157.022   19.832  196.300   28.074  117.900   28.019   40.503   2.9558   31.146   3.8948 9.356773 4.889374 
1 1 1   20    2   15 o   44.613   2.6417  237.422   27.705  280.900   39.262  194.300   39.101   48.373   3.4601   40.012   4.2011 8.360390 5.442612 
1 1 1   20    2   16 o   15.423   1.6120   28.464   5.7837   34.700   8.2375   22.400   8.1226   16.977   2.0995   13.496   2.6433 3.481438 3.375677 
1 1 1   20    2   17 o   72.008   4.0557  625.138   68.681  715.600   97.163  534.800   97.096   76.455   5.4169   65.600   6.3475 10.85507 8.344693 
1 1 1   20    2   18 o   37.124   2.3933  164.461   20.869  182.200   29.545  146.800   29.481   38.917   3.2446   34.815   3.6398 4.102196 4.876020 
1 1 1   20    2   19 o   62.382   3.5806  468.153   52.523  504.600   74.326  431.800   74.231   64.247   4.9370   59.219   5.3667 5.027592 7.292165 
1 1 1   20    2   20 o   50.494   3.0518  305.717   36.217  319.700   51.187  291.700   51.249   51.272   4.2666   48.883   4.4900 2.389122 6.193832 
1 1 1   20    2   21 o   87.604   4.9728  940.212  102.445  956.700  144.826  923.700  144.932   86.743   7.1338   85.099   7.2825 1.643791 10.19441 
1 1 1   20    2   22 o   87.818   4.9612  947.214  102.459  1044.90  144.925  849.600  144.872   90.726   6.8145   81.026   7.6627 9.699539 10.25447 
1 1 1   20    2   23 o   24.035   1.7929   68.944   10.102   83.700   14.364   54.500   14.211   26.407   2.3273   21.143   2.9248 5.263632 3.737744 
1 1 1   20    2   24 o   64.670   3.7471  508.530   56.976  558.500   80.592  458.600   80.560   66.949   5.1370   60.248   5.7317 6.701874 7.696833 
1 1 1   20    2   25 o   56.110   3.1224  380.597   41.206  456.700   58.372  305.000   58.178   60.993   4.0764   49.265   5.0736 11.72804 6.508277 
1 1 1   20    2   26 o   52.533   3.1788  334.953   39.247  366.000   55.501  303.900   55.507   54.283   4.3668   49.156   4.8450 5.127636 6.522490 
1 1 1   20    2   27 o   23.688   1.7402   67.149   9.6654   79.100   13.787   55.600   13.554   25.598   2.3056   21.314   2.7577 4.284628 3.594560 
1 1 1   20    2   28 o   20.733   2.6528   52.600   12.690   52.600   12.690   0.0000   0.0000   20.733   2.6528  ?   ?  0.000000 2.652784 
1 1 1   20    2   29 o   23.254   2.7663   66.300   14.892   66.300   14.892   0.0000   0.0000   23.254   2.7663  ?   ?  0.000000 2.766254 
1 1 1   20    2   30 o   26.507   2.9258   86.400   18.009   86.400   18.009   0.0000   0.0000   26.507   2.9258  ?   ?  0.000000 2.925848 
1 1 1   20    2   31 o   28.060   3.0342   97.100   19.784   97.100   19.784   0.0000   0.0000   28.060   3.0342  ?   ?  0.000000 3.034179 
1 1 1   20    2   32 o   27.368   3.0051   92.500   19.101   92.500   19.101   0.0000   0.0000   27.368   3.0051  ?   ?  0.000000 3.005123 
1 1 1   20    2   33 o   15.796   2.5088   30.900   9.0451   30.900   9.0451   0.0000   0.0000   15.796   2.5088  ?   ?  0.000000 2.508770 
1 1 1   20    2   34 o   51.089   4.7124  340.100   56.210  340.100   56.210   0.0000   0.0000   51.089   4.7124  ?   ?  0.000000 4.712404 
1 1 1   20    2   35 o   9.4665   2.4443   11.300   5.5017   11.300   5.5017   0.0000   0.0000   9.4665   2.4443  ?   ?  0.000000 2.444293 
1 1 1   20    2   36 o   13.368   2.5273   22.500   7.6857   22.500   7.6857   0.0000   0.0000   13.368   2.5273  ?   ?  0.000000 2.527301 
1 1 1   20    2   37 o   31.489   3.2999  126.000   24.172  126.000   24.172   0.0000   0.0000   31.489   3.2999  ?   ?  0.000000 3.299855 
1 1 1   20    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    2   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3    0 o   17.241   2.6759   37.600   10.112   37.600   10.112   37.600   10.112   17.241   2.6759   17.241   2.6759 0.000000 0.000000 
1 1 1   20    3    1 o   88.991   4.9368  950.900  103.335  952.400  146.154  949.400  146.122   88.296   7.0691   88.152   7.0794 0.1440735 10.00451 
1 1 1   20    3    2 o   37.929   2.4497  171.150   21.823  174.600   30.862  167.700   30.862   38.169   3.4618   37.389   3.5377 0.7803612 4.949693 
1 1 1   20    3    3 o   34.997   2.3228  145.697   19.086  146.800   27.032  144.600   26.952   34.995   3.3105   34.727   3.3275 0.2684441 4.693771 
1 1 1   20    3    4 o   31.673   2.1977  119.353   16.335  117.700   23.123  121.000   23.080   31.322   3.1700   31.771   3.1165 -0.4488640 4.445413 
1 1 1   20    3    5 o   20.689   1.6801   50.956   8.1371   68.300   11.556   33.900   11.460   23.932   2.0651   16.643   3.0274 7.288643 3.664679 
1 1 1   20    3    6 o   80.780   4.4745  782.591   85.019  878.200  120.271  687.100  120.197   85.065   6.0266   74.878   6.8748 10.18701 9.142310 
1 1 1   20    3    7 o   99.844   5.5353  1204.41  129.993  1242.40  183.809  1166.40  183.866  100.293   7.8231   97.006   8.1009 3.286903 11.26167 
1 1 1   20    3    8 o   69.217   3.9515  573.571   64.318  588.300   90.894  558.800   91.026   69.635   5.5745   67.801   5.7393 1.833313 8.000900 
1 1 1   20    3    9 o   83.858   4.7032  845.971   92.757  955.500  131.166  736.400  131.191   88.495   6.3183   77.217   7.2809 11.27821 9.640164 
1 1 1   20    3   10 f   67.252   3.8675  541.735   61.160  593.600   86.464  489.800   86.523   69.992   5.2702   63.349   5.8501 6.642670 7.873919 
1 1 1   20    3   11 o   67.596   3.8589  547.598   61.340  546.500   86.675  548.700   86.821   67.011   5.5268   67.148   5.5246 -0.1364822 7.814540 
1 1 1   20    3   12 o  121.484   6.8090  1815.91  194.541  1918.70  275.040  1713.00  275.205  122.510   9.5838  115.118   10.231 7.391930 14.01833 
1 1 1   20    3   13 o   62.883   3.6381  474.011   53.790  480.000   76.003  468.000   76.139   62.804   5.1708   61.981   5.2516 0.8235626 7.369982 
1 1 1   20    3   14 o   44.457   2.7434  235.896   28.659  246.000   40.537  225.800   40.523   45.174   3.8364   43.223   4.0162 1.951023 5.554137 
1 1 1   20    3   15 o   50.449   3.0367  304.311   36.006  312.100   50.884  296.500   50.958   50.782   4.2833   49.452   4.4101 1.330299 6.147818 
1 1 1   20    3   16 o  119.658   6.6719  1773.82  187.767  1968.50  265.599  1579.30  265.487  123.555   9.1688  109.298   10.412 14.25686 13.87391 
1 1 1   20    3   17 o   8.6947   1.6119   9.2370   3.1876   12.800   4.5491   5.8000   4.4680   10.221   1.9560   7.1184   2.3175 3.103000 3.032631 
1 1 1   20    3   18 o   15.476   1.7002   28.713   6.1109   27.200   8.6786   30.200   8.6060   14.916   2.5559   15.767   2.3860 -0.8509569 3.496492 
1 1 1   20    3   19 o   78.187   4.3857  741.094   80.645  830.400  114.086  651.900  114.014   81.909   5.9388   72.019   6.7842 9.889549 9.016365 
1 1 1   20    3   20 o   60.590   3.5052  441.767   49.936  490.200   70.644  393.400   70.595   63.345   4.7575   56.452   5.3601 6.893360 7.166947 
1 1 1   20    3   21 o   79.393   4.5402  768.230   84.764  804.500  119.825  731.900  119.925   80.047   6.3926   76.075   6.7458 3.972191 9.293621 
1 1 1   20    3   22 o   40.659   2.5225  197.826   24.100  220.300   34.139  175.500   34.026   42.686   3.4155   37.943   3.8509 4.742668 5.147356 
1 1 1   20    3   23 o   45.292   2.6004  245.751   27.695  300.200   39.257  191.800   39.077   49.845   3.3548   39.496   4.2572 10.34906 5.420223 
1 1 1   20    3   24 f   35.624   2.2933  151.962   19.189  173.000   27.195  131.100   27.081   37.819   3.0717   32.747   3.5594 5.071869 4.701553 
1 1 1   20    3   25 o   10.846   1.4089   14.180   3.5231   19.700   5.1432   9.3000   4.8358   12.757   1.7536   8.6745   2.3170 4.082994 2.905781 
1 1 1   20    3   26 o   22.947   1.8738   63.111   10.064   67.900   14.291   58.400   14.176   23.649   2.6022   21.860   2.8114 1.789618 3.830869 
1 1 1   20    3   27 o   11.900   1.5771   17.121   4.3224   19.400   6.3041   15.100   5.9379   12.557   2.2067   11.021   2.3531 1.535310 3.225932 
1 1 1   20    3   28 o   6.7500   2.1169   5.4000   3.7550   5.4000   3.7550   0.0000   0.0000   6.7500   2.1169  ?   ?  0.000000 2.116949 
1 1 1   20    3   29 o   27.207   2.9646   90.900   18.738   90.900   18.738   0.0000   0.0000   27.207   2.9646  ?   ?  0.000000 2.964638 
1 1 1   20    3   30 o   35.236   3.4631  154.100   28.442  154.100   28.442   0.0000   0.0000   35.236   3.4631  ?   ?  0.000000 3.463066 
1 1 1   20    3   31 o   26.258   2.9244   84.900   17.824   84.900   17.824   0.0000   0.0000   26.258   2.9244  ?   ?  0.000000 2.924361 
1 1 1   20    3   32 o   46.435   4.2820  274.500   46.423  274.500   46.423   0.0000   0.0000   46.435   4.2820  ?   ?  0.000000 4.282020 
1 1 1   20    3   33 o   32.517   3.3097  131.600   25.059  131.600   25.059   0.0000   0.0000   32.517   3.3097  ?   ?  0.000000 3.309746 
1 1 1   20    3   34 o   23.117   2.7907   66.100   14.925   66.100   14.925   0.0000   0.0000   23.117   2.7907  ?   ?  0.000000 2.790717 
1 1 1   20    3   35 o   24.924   2.8867   77.300   16.675   77.300   16.675   0.0000   0.0000   24.924   2.8867  ?   ?  0.000000 2.886679 
1 1 1   20    3   36 o   17.364   2.5555   37.600   10.165   37.600   10.165   0.0000   0.0000   17.364   2.5555  ?   ?  0.000000 2.555462 
1 1 1   20    3   37 o   28.950   3.1863  106.200   21.421  106.200   21.421   0.0000   0.0000   28.950   3.1863  ?   ?  0.000000 3.186333 
1 1 1   20    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    3   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4    0 o   53.887   4.6394  352.500   58.028  352.500   58.028  352.500   58.028   53.887   4.6394   53.887   4.6394 0.000000 0.000000 
1 1 1   20    4    1 o   36.782   2.4016  160.950   20.744  161.600   29.339  160.300   29.335   36.714   3.4237   36.562   3.4381 0.1516228 4.852087 
1 1 1   20    4    2 o   72.575   4.0414  629.785   68.985  675.100   97.630  584.600   97.490   74.736   5.5721   69.384   6.0096 5.352058 8.195371 
1 1 1   20    4    3 o   22.620   1.8615   60.946   9.8547   58.800   13.924   63.100   13.950   22.102   2.7256   22.923   2.6244 -0.8205738 3.783696 
1 1 1   20    4    4 o   34.699   2.3134  143.248   18.846  146.600   26.660  139.900   26.645   34.973   3.2660   34.145   3.3478 0.8285866 4.676998 
1 1 1   20    4    5 o   38.391   2.4595  175.390   22.179  165.500   31.350  185.300   31.382   37.114   3.6234   39.327   3.4132 -2.212902 4.977807 
1 1 1   20    4    6 o  163.440   9.1291  3334.13  350.920  3375.80  496.392  3292.50  496.159  159.776   13.277  157.544   13.466 2.231567 18.91095 
1 1 1   20    4    7 o   88.786   4.9211  948.781  102.770  1006.30  145.363  891.300  145.314   90.657   6.8406   85.078   7.3039 5.579247 10.00709 
1 1 1   20    4    8 o   99.702   5.4269  1201.28  127.286  1301.60  180.122  1101.20  179.897  102.756   7.4745   94.082   8.1790 8.674019 11.07987 
1 1 1   20    4    9 o   67.889   3.8782  551.860   61.913  572.100   87.537  531.600   87.579   68.671   5.4429   66.106   5.6652 2.564751 7.856185 
1 1 1   20    4   10 o   42.345   2.6037  213.598   25.909  243.000   36.673  184.300   36.608   45.028   3.4760   39.067   4.0260 5.960339 5.318936 
1 1 1   20    4   11 o   63.409   3.6516  481.400   54.445  525.800   76.997  437.000   76.997   65.894   4.9853   59.869   5.5081 6.024464 7.429161 
1 1 1   20    4   12 o   39.714   2.5402  188.007   23.697  193.800   33.494  182.200   33.532   40.140   3.5709   38.885   3.6964 1.255386 5.139545 
1 1 1   20    4   13 o   45.937   2.8285  251.915   30.532  266.900   43.158  236.900   43.201   47.057   3.9196   44.250   4.1841 2.806942 5.733207 
1 1 1   20    4   14 o   63.212   3.5477  478.925   52.741  565.700   74.641  392.400   74.534   68.363   4.6514   56.530   5.6596 11.83327 7.325775 
1 1 1   20    4   15 o   21.845   1.8213   56.920   9.3093   66.000   13.187   47.900   13.143   23.452   2.4159   19.857   2.8877 3.595524 3.764975 
1 1 1   20    4   16 o   47.653   2.9972  271.688   33.554  332.800   47.399  210.300   47.506   52.548   3.8466   41.398   4.9583 11.15016 6.275408 
1 1 1   20    4   17 o   24.039   1.9029   68.930   10.714   72.500   15.193   65.400   15.110   24.542   2.6645   23.269   2.8066 1.272612 3.869948 
1 1 1   20    4   18 o   68.741   3.7217  568.571   60.187  678.200   85.245  459.600   84.989   74.613   4.8649   60.864   5.9911 13.74948 7.717554 
1 1 1   20    4   19 o   15.706   1.7070   29.571   6.2288   26.300   8.8377   32.800   8.7802   14.640   2.6542   16.453   2.3247 -1.812976 3.528279 
1 1 1   20    4   20 o   53.209   3.0524  339.457   38.192  397.000   54.079  282.200   53.945   57.246   4.0263   47.937   4.8315 9.308907 6.289211 
1 1 1   20    4   21 o  115.461   6.4521  1672.59  175.211  1897.00  247.899  1448.60  247.671  120.005   8.8097  102.845   10.338 17.16005 13.58279 
1 1 1   20    4   22 o   42.190   2.6412  213.230   26.180  227.200   37.051  199.300   36.999   43.275   3.6600   40.429   3.9249 2.845951 5.366660 
1 1 1   20    4   23 o   23.547   1.8903   66.285   10.422   69.500   14.773   63.100   14.706   23.975   2.6539   22.802   2.7893 1.173111 3.850118 
1 1 1   20    4   24 o   16.582   1.6872   32.978   6.5144   34.100   9.3076   31.900   9.1206   16.731   2.4267   16.163   2.4680 0.5679550 3.461201 
1 1 1   20    4   25 f   56.138   3.2421  381.950   42.795  432.200   60.582  331.900   60.461   59.120   4.3705   51.380   5.0484 7.739956 6.677416 
1 1 1   20    4   26 o   27.413   2.0537   90.149   13.197   88.300   18.657   92.000   18.671   26.893   2.9884   27.476   2.9227 -0.5831280 4.180036 
1 1 1   20    4   27 o   27.933   2.0488   93.687   13.419   96.200   19.027   91.200   18.929   28.073   2.9126   27.304   2.9845 0.7687168 4.170182 
1 1 1   20    4   28 o   19.655   1.6905   46.341   7.7697   51.800   11.102   41.100   10.878   20.655   2.3160   18.302   2.5892 2.352892 3.473900 
1 1 1   20    4   29 o   23.264   2.7839   66.400   14.990   66.400   14.990   0.0000   0.0000   23.264   2.7839  ?   ?  0.000000 2.783935 
1 1 1   20    4   30 o   40.014   3.7780  200.100   35.276  200.100   35.276   0.0000   0.0000   40.014   3.7780  ?   ?  0.000000 3.778042 
1 1 1   20    4   31 o   66.774   6.0767  601.200   94.768  601.200   94.768   0.0000   0.0000   66.774   6.0767  ?   ?  0.000000 6.076707 
1 1 1   20    4   32 o   35.177   3.4736  154.200   28.477  154.200   28.477   0.0000   0.0000   35.177   3.4736  ?   ?  0.000000 3.473612 
1 1 1   20    4   33 o   53.416   4.8748  371.900   60.810  371.900   60.810   0.0000   0.0000   53.416   4.8748  ?   ?  0.000000 4.874804 
1 1 1   20    4   34 o   11.602   2.4507   16.900   6.5038   16.900   6.5038   0.0000   0.0000   11.602   2.4507  ?   ?  0.000000 2.450722 
1 1 1   20    4   35 o   7.1560   2.2882   6.1000   4.3690   6.1000   4.3690   0.0000   0.0000   7.1560   2.2882  ?   ?  0.000000 2.288164 
1 1 1   20    4   36 o   8.9497   2.4383   10.100   5.2930   10.100   5.2930   0.0000   0.0000   8.9497   2.4383  ?   ?  0.000000 2.438279 
1 1 1   20    4   37 o   12.029   2.6855   18.500   7.4347   18.500   7.4347   0.0000   0.0000   12.029   2.6855  ?   ?  0.000000 2.685463 
1 1 1   20    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    4   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5    0 o   63.758   5.3246  493.900   78.878  493.900   78.878  493.900   78.878   63.758   5.3246   63.758   5.3246 0.000000 0.000000 
1 1 1   20    5    1 o   18.476   1.7369   40.734   7.4888   35.700   10.574   45.800   10.608   17.146   2.7011   19.524   2.3479 -2.378298 3.578947 
1 1 1   20    5    2 o  124.981   6.8640  1902.42  201.799  2005.00  285.435  1799.90  285.339  126.482   9.6292  119.371   10.221 7.111343 14.04275 
1 1 1   20    5    3 o   99.117   5.4810  1184.90  127.785  1156.40  180.718  1213.40  180.714   96.787   7.9783   99.267   7.7716 -2.479477 11.13776 
1 1 1   20    5    4 o   35.481   2.3628  149.813   19.683  156.600   27.809  143.000   27.862   36.148   3.2941   34.501   3.4668 1.647354 4.782237 
1 1 1   20    5    5 o   9.9696   1.6140   12.055   3.6699   14.400   5.2414   9.8000   5.1400   10.842   2.1233   8.9404   2.3891 1.901347 3.196259 
1 1 1   20    5    6 o  115.178   6.3555  1613.35  172.186  1655.60  243.520  1571.10  243.497  114.997   9.0407  111.821   9.3061 3.175713 12.97450 
1 1 1   20    5    7 o   97.677   5.3869  1152.42  123.769  1195.90  175.106  1109.00  174.966   98.434   7.5921   94.599   7.9050 3.834824 10.96035 
1 1 1   20    5    8 o   69.232   3.8636  573.678   62.911  640.100   89.018  507.400   88.921   72.748   5.2166   64.505   5.9032 8.242859 7.877869 
1 1 1   20    5    9 o   80.227   4.4995  773.752   84.897  767.400  120.080  780.100  120.045   79.145   6.4820   79.827   6.4227 -0.6818314 9.125129 
1 1 1   20    5   10 o   93.386   5.1897  1054.59  113.990  1078.60  161.230  1030.60  161.182   93.342   7.3750   91.124   7.5590 2.217789 10.56070 
1 1 1   20    5   11 o   30.196   2.1380  108.598   15.146  107.000   21.408  110.200   21.431   29.831   3.0837   30.286   3.0376 -0.4556789 4.328499 
1 1 1   20    5   12 o   63.216   3.6497  478.956   54.249  488.300   76.694  469.600   76.745   63.364   5.1708   62.091   5.2846 1.273102 7.393535 
1 1 1   20    5   13 o   46.674   2.8388  260.087   31.139  289.400   44.047  230.800   44.028   49.028   3.8352   43.628   4.3309 5.400272 5.784945 
1 1 1   20    5   14 o   84.841   4.7572  871.084   94.921  944.000  134.253  798.200  134.224   87.396   6.5531   79.966   7.1849 7.429634 9.724478 
1 1 1   20    5   15 o   30.092   2.1271  107.938   15.018  105.200   21.191  110.700   21.286   29.551   3.0822   30.335   3.0114 -0.7837143 4.309054 
1 1 1   20    5   16 o   27.611   2.0506   90.908   13.274   95.800   18.758   86.000   18.788   28.221   2.8540   26.690   3.0350 1.531427 4.166116 
1 1 1   20    5   17 o  102.331   5.7625  1286.47  138.679  1308.60  196.028  1264.30  196.216  101.161   8.2787   99.266   8.4513 1.894623 11.83055 
1 1 1   20    5   18 o   32.172   2.1882  123.464   16.525  144.600   23.390  102.400   23.350   34.708   2.8799   29.043   3.4737 5.665003 4.512211 
1 1 1   20    5   19 o   84.539   4.7303  870.022   94.050  974.200  133.057  766.000  132.957   88.377   6.4197   77.686   7.3346 10.69086 9.747280 
1 1 1   20    5   20 o   85.232   4.8404  887.318   97.017  973.600  137.188  801.000  137.217   88.018   6.6496   79.210   7.4227 8.808739 9.965631 
1 1 1   20    5   21 o   41.983   2.6528  211.058   26.164  231.100   36.994  191.000   37.009   43.684   3.6189   39.567   4.0168 4.116585 5.406595 
1 1 1   20    5   22 o   67.983   3.8602  560.115   61.714  631.600   87.329  488.800   87.224   71.465   5.2108   62.366   5.9967 9.098999 7.944316 
1 1 1   20    5   23 o   44.650   2.6701  239.188   28.023  279.600   39.687  199.000   39.576   48.014   3.5250   40.218   4.2307 7.796074 5.506729 
1 1 1   20    5   24 o   35.569   2.1935  151.374   18.334  180.000   26.055  123.300   25.802   38.624   2.8774   31.750   3.4997 6.873978 4.530650 
1 1 1   20    5   25 o   20.135   1.8027   48.596   8.4804   43.000   11.989   54.200   11.997   18.724   2.7973   21.147   2.4478 -2.423014 3.717078 
1 1 1   20    5   26 o   26.649   2.0236   85.203   12.639   86.800   17.858   83.600   17.891   26.685   2.8795   26.164   2.9471 0.5212669 4.120352 
1 1 1   20    5   27 o   30.391   2.1224  110.951   15.135  118.900   21.471  103.100   21.339   31.225   2.9468   28.984   3.1695 2.240383 4.327704 
1 1 1   20    5   28 o   16.584   1.7151   33.108   6.6195   32.700   9.4552   33.500   9.2704   16.299   2.5395   16.523   2.4503 -0.2241421 3.528834 
1 1 1   20    5   29 o   39.590   1.9306  187.377   18.049  257.700   25.724  119.200   25.329   46.229   2.3644   30.959   3.5277 15.27038 4.246785 
1 1 1   20    5   30 o   19.067   2.5986   44.700   11.395   44.700   11.395   0.0000   0.0000   19.067   2.5986  ?   ?  0.000000 2.598616 
1 1 1   20    5   31 o   49.698   4.5224  315.700   52.492  315.700   52.492   0.0000   0.0000   49.698   4.5224  ?   ?  0.000000 4.522449 
1 1 1   20    5   32 o   51.676   4.7097  344.500   56.839  344.500   56.839   0.0000   0.0000   51.676   4.7097  ?   ?  0.000000 4.709669 
1 1 1   20    5   33 o   37.762   3.6580  179.000   32.209  179.000   32.209   0.0000   0.0000   37.762   3.6580  ?   ?  0.000000 3.657964 
1 1 1   20    5   34 o   24.470   2.8611   74.200   16.220   74.200   16.220   0.0000   0.0000   24.470   2.8611  ?   ?  0.000000 2.861076 
1 1 1   20    5   35 o   19.799   2.6495   48.700   12.076   48.700   12.076   0.0000   0.0000   19.799   2.6495  ?   ?  0.000000 2.649526 
1 1 1   20    5   36 o   36.579   3.6396  171.400   31.020  171.400   31.020   0.0000   0.0000   36.579   3.6396  ?   ?  0.000000 3.639553 
1 1 1   20    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    5   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6    0 o   75.845   6.2120  700.700  109.538  700.700  109.538  700.700  109.538   75.845   6.2120   75.845   6.2120 0.000000 0.000000 
1 1 1   20    6    1 o   37.124   2.3836  163.965   20.785  148.200   29.362  179.800   29.427   35.108   3.5922   38.763   3.2447 -3.654484 4.840713 
1 1 1   20    6    2 f   26.177   2.0335   81.603   12.471   75.800   17.719   87.300   17.556   25.082   3.0547   26.983   2.7959 -1.901028 4.141095 
1 1 1   20    6    3 o   79.825   4.4641  764.246   83.809  757.000  118.493  771.500  118.553   78.793   6.4245   79.572   6.3626 -0.7792740 9.041999 
1 1 1   20    6    4 o  118.909   6.4923  1720.26  181.606  1828.90  256.938  1611.80  256.722  120.955   9.0617  113.051   9.7110 7.904335 13.28220 
1 1 1   20    6    5 o   86.393   4.6842  896.766   95.203  986.800  134.775  807.100  134.499   89.985   6.3842   81.035   7.1005 8.950645 9.548571 
1 1 1   20    6    6 o   31.799   2.1992  120.351   16.412  119.200   23.215  121.500   23.204   31.510   3.1626   31.821   3.1285 -0.3109818 4.448561 
1 1 1   20    6    7 o   73.581   4.1468  649.041   71.757  634.300  101.447  663.800  101.512   72.145   6.0096   73.866   5.8682 -1.721352 8.399471 
1 1 1   20    6    8 o  131.940   7.3366  2142.76  227.676  2123.30  322.078  2162.20  321.886  128.433   10.718  129.725   10.601 -1.292374 15.07460 
1 1 1   20    6    9 o   44.274   2.6153  233.463   27.221  267.800   38.573  199.400   38.419   47.280   3.4794   40.644   4.0573 6.636639 5.344865 
1 1 1   20    6   10 o   77.786   4.3139  727.335   78.927  777.500  111.692  677.300  111.548   79.796   5.9709   74.253   6.4252 5.542580 8.771252 
1 1 1   20    6   11 o   87.521   4.8922  925.747  100.701  929.000  142.470  922.500  142.355   86.631   7.0250   86.314   7.0459 0.3168182 9.949623 
1 1 1   20    6   12 o  113.866   6.0771  1586.49  162.810  1830.90  230.439  1342.90  230.056  120.707   8.1320  102.042   9.6627 18.66518 12.62924 
1 1 1   20    6   13 f  116.510   6.4009  1669.59  175.428  1955.30  248.182  1384.30  248.004  124.245   8.5105  102.797   10.358 21.44772 13.40581 
1 1 1   20    6   14 o   83.652   4.6939  846.735   92.345  837.500  130.491  856.000  130.700   82.122   6.7900   83.071   6.7205 -0.9484863 9.553518 
1 1 1   20    6   15 o   49.209   2.9726  289.552   34.380  312.800   48.618  266.300   48.623   50.878   4.0810   46.814   4.4520 4.063969 6.039472 
1 1 1   20    6   16 o   73.031   4.1751  643.726   71.702  707.700  101.382  579.700  101.423   75.889   5.6990   68.315   6.3603 7.574219 8.540017 
1 1 1   20    6   17 o   30.085   2.1224  107.939   14.981  122.400   21.194   93.500   21.178   31.927   2.8408   27.782   3.2923 4.145630 4.348472 
1 1 1   20    6   18 o   50.672   3.0463  307.653   36.281  326.500   51.305  288.800   51.314   51.864   4.2259   48.663   4.5171 3.201466 6.185670 
1 1 1   20    6   19 o   47.976   2.9199  275.700   32.922  297.700   46.558  253.700   46.558   49.554   4.0133   45.606   4.3770 3.948174 5.938388 
1 1 1   20    6   20 o   48.434   2.9060  281.162   33.082  329.400   46.803  233.000   46.766   52.164   3.8264   43.566   4.6163 8.598236 5.995954 
1 1 1   20    6   21 o   59.324   3.4197  424.079   47.702  486.800   67.498  361.500   67.422   63.091   4.5614   53.958   5.3626 9.132919 7.040142 
1 1 1   20    6   22 o   25.930   1.9550   80.319   11.882   94.200   16.823   66.500   16.786   27.982   2.5749   23.353   3.1221 4.629526 4.046951 
1 1 1   20    6   23 o   35.221   2.3555  148.602   19.478  144.300   27.553  152.900   27.537   34.427   3.4352   35.480   3.3256 -1.052860 4.781225 
1 1 1   20    6   24 o   57.736   3.3343  403.855   45.266  473.700   64.059  334.200   63.972   61.973   4.4061   51.482   5.3399 10.49109 6.923025 
1 1 1   20    6   25 o   70.907   4.3068  621.117   71.771  720.300  101.338  521.300  101.662   75.102   5.7581   62.741   6.9802 12.36056 9.048719 
1 1 1   20    6   26 f   32.367   2.2732  125.985   17.264  143.000   24.391  108.900   24.441   34.256   3.0471   29.684   3.5576 4.571424 4.684181 
1 1 1   20    6   27 f   16.583   1.5968   33.000   6.1754   40.000   8.8303   26.300   8.6395   18.176   2.0957   14.576   2.6057 3.600530 3.343947 
1 1 1   20    6   28 o   25.250   1.8516   76.481   10.963   88.300   15.618   65.000   15.393   26.980   2.4792   22.995   2.8993 3.985891 3.814754 
1 1 1   20    6   29 o   13.130   1.5432   20.794   4.6933   24.700   6.7323   17.100   6.5464   14.219   2.0654   11.707   2.4469 2.512690 3.202083 
1 1 1   20    6   30 o   46.800   4.2808  277.400   46.784  277.400   46.784   0.0000   0.0000   46.800   4.2808  ?   ?  0.000000 4.280846 
1 1 1   20    6   31 o   19.666   2.6278   47.600   11.898   47.600   11.898   0.0000   0.0000   19.666   2.6278  ?   ?  0.000000 2.627774 
1 1 1   20    6   32 o   34.032   3.3895  144.100   26.877  144.100   26.877   0.0000   0.0000   34.032   3.3895  ?   ?  0.000000 3.389520 
1 1 1   20    6   33 o   48.491   4.4588  302.300   50.483  302.300   50.483   0.0000   0.0000   48.491   4.4588  ?   ?  0.000000 4.458790 
1 1 1   20    6   34 o   5.9265   2.0257   3.9000   3.4067   3.9000   3.4067   0.0000   0.0000   5.9265   2.0257  ?   ?  0.000000 2.025699 
1 1 1   20    6   35 o   38.939   3.7912  193.800   34.418  193.800   34.418   0.0000   0.0000   38.939   3.7912  ?   ?  0.000000 3.791178 
1 1 1   20    6   36 o   3.4730   1.4888  -0.1000   2.1835  -0.1000   2.1835   0.0000   0.0000   3.4730   1.4888  ?   ?  0.000000 1.488790 
1 1 1   20    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    6   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7    0 o   22.113   2.8059   60.600   14.009   60.600   14.009   60.600   14.009   22.113   2.8059   22.113   2.8059 0.000000 0.000000 
1 1 1   20    7    1 o   31.093   2.1711  115.050   15.841  122.200   22.402  107.900   22.402   31.938   3.0057   29.960   3.2168 1.977833 4.402556 
1 1 1   20    7    2 o   65.530   3.5892  512.811   55.328  566.100   78.459  460.100   78.033   68.541   4.8795   61.606   5.4192 6.935123 7.292275 
1 1 1   20    7    3 o   81.260   4.4907  792.481   85.835  848.100  121.465  737.000  121.313   83.469   6.2070   77.591   6.6864 5.878021 9.123323 
1 1 1   20    7    4 o   60.678   3.5192  439.811   50.207  431.800   71.052  447.800   70.956   59.745   5.0846   60.879   4.9794 -1.133953 7.116741 
1 1 1   20    7    5 o   51.858   3.0702  320.690   37.428  332.300   52.955  309.100   52.907   52.544   4.3058   50.626   4.4717 1.918480 6.207686 
1 1 1   20    7    6 o   11.081   1.6063   14.827   4.0807   12.600   5.7413   17.100   5.8011   10.108   2.4344   11.832   2.1556 -1.724390 3.251600 
1 1 1   20    7    7 o   48.782   2.9217  283.728   33.501  246.300   47.365  321.200   47.392   45.124   4.5054   51.726   3.9089 -6.601994 5.964737 
1 1 1   20    7    8 o   87.919   4.8639  931.856  100.586  993.000  142.300  870.800  142.199   89.924   6.7507   83.934   7.2456 5.990372 9.903083 
1 1 1   20    7    9 o   18.756   1.7460   41.993   7.6441   45.200   10.822   38.800   10.799   19.372   2.4183   17.890   2.6353 1.482492 3.576753 
1 1 1   20    7   10 o   52.775   3.0842  332.595   38.269  360.600   54.174  304.700   54.067   54.697   4.2272   50.150   4.6175 4.546906 6.260188 
1 1 1   20    7   11 o   71.238   4.0575  609.911   67.973  595.400   96.166  624.400   96.091   69.708   5.8976   71.462   5.7429 -1.754227 8.231764 
1 1 1   20    7   12 o   37.629   2.4315  168.790   21.489  176.800   30.410  160.800   30.372   38.346   3.3935   36.520   3.5675 1.825768 4.923653 
1 1 1   20    7   13 o   54.711   3.2144  358.133   41.345  365.700   58.537  350.600   58.406   54.928   4.5542   53.746   4.6477 1.182213 6.507064 
1 1 1   20    7   14 o   5.2509   1.5715   3.2941   2.1005   1.9000   2.7961   5.1000   3.1823   4.7680   1.8068   6.5169   1.9307 -1.748842 2.644236 
1 1 1   20    7   15 o   93.783   5.2971  1072.50  116.827  1126.20  165.143  1018.70  165.295   94.671   7.4473   89.691   7.8846 4.979675 10.84577 
1 1 1   20    7   16 o  108.239   6.1207  1445.16  155.798  1542.60  220.270  1347.60  220.395  109.629   8.5771  101.752   9.2745 7.877213 12.63267 
1 1 1   20    7   17 o   41.094   2.6054  201.754   25.151  215.300   35.564  188.200   35.575   42.236   3.6002   39.400   3.8738 2.836449 5.288468 
1 1 1   20    7   18 o   50.294   3.0058  303.024   35.534  322.800   50.286  283.300   50.219   51.581   4.1641   48.204   4.4625 3.376892 6.103560 
1 1 1   20    7   19 o   67.865   3.9202  556.424   62.555  634.900   88.453  477.900   88.479   71.879   5.2476   61.859   6.1383 10.01973 8.075677 
1 1 1   20    7   20 o   65.770   3.7545  522.531   58.068  570.500   82.179  474.700   82.061   68.069   5.1509   61.778   5.6891 6.290432 7.674470 
1 1 1   20    7   21 o   67.892   3.8563  558.219   61.568  639.300   87.114  477.300   87.026   71.974   5.1599   61.633   6.0580 10.34163 7.957569 
1 1 1   20    7   22 o   95.803   5.4506  1140.97  122.796  1249.40  173.683  1032.60  173.637   98.047   7.5600   88.110   8.4492 9.937737 11.33768 
1 1 1   20    7   23 o   37.686   2.3964  170.173   21.215  191.500   30.057  149.000   29.948   39.758   3.2294   34.896   3.6904 4.861565 4.903879 
1 1 1   20    7   24 o   44.352   2.7043  236.725   28.187  266.400   39.914  207.200   39.812   46.709   3.6477   40.944   4.1762 5.764317 5.544961 
1 1 1   20    7   25 o   42.560   2.7077  218.467   27.071  252.300   38.275  184.600   38.294   45.394   3.6002   38.494   4.2857 6.900803 5.597163 
1 1 1   20    7   26 o   23.399   1.9128   65.706   10.477   71.400   14.809   60.000   14.823   24.231   2.6303   22.114   2.9093 2.116863 3.922061 
1 1 1   20    7   27 o   33.731   2.1109  136.605   16.729  168.700   23.750  105.000   23.568   37.306   2.7147   29.117   3.4978 8.188639 4.427611 
1 1 1   20    7   28 o   17.839   1.6682   38.232   6.9455   45.500   9.8693   31.100   9.7761   19.362   2.1975   15.835   2.7119 3.526402 3.490538 
1 1 1   20    7   29 o   34.374   2.3353  142.752   18.843  141.400   26.670  144.100   26.628   33.794   3.3877   34.136   3.3463 -0.3426056 4.761779 
1 1 1   20    7   30 o   31.331   1.9745  117.975   14.533  143.000   20.669   93.500   20.440   34.306   2.5701   27.469   3.2118 6.836849 4.113563 
1 1 1   20    7   31 o   35.358   3.4860  155.700   28.727  155.700   28.727   0.0000   0.0000   35.358   3.4860  ?   ?  0.000000 3.485971 
1 1 1   20    7   32 o   22.286   2.7358   61.200   14.095   61.200   14.095   0.0000   0.0000   22.286   2.7358  ?   ?  0.000000 2.735833 
1 1 1   20    7   33 o   27.543   2.9952   93.900   19.166   93.900   19.166   0.0000   0.0000   27.543   2.9952  ?   ?  0.000000 2.995168 
1 1 1   20    7   34 o   32.736   3.3400  134.400   25.457  134.400   25.457   0.0000   0.0000   32.736   3.3400  ?   ?  0.000000 3.340008 
1 1 1   20    7   35 o   32.230   3.3278  131.000   24.962  131.000   24.962   0.0000   0.0000   32.230   3.3278  ?   ?  0.000000 3.327805 
1 1 1   20    7   36 o   8.8188   2.4552   9.8000   5.3011   9.8000   5.3011   0.0000   0.0000   8.8188   2.4552  ?   ?  0.000000 2.455157 
1 1 1   20    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    7   48 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8    0 o  102.671   8.2598  1296.70  197.272  1296.70  197.272  1296.70  197.272  102.671   8.2598  102.671   8.2598 0.000000 0.000000 
1 1 1   20    8    1 o   29.808   2.1617  105.787   15.112   87.600   21.394  123.900   21.350   26.916   3.4451   32.183   2.8384 -5.267069 4.463745 
1 1 1   20    8    2 o   68.567   3.8846  562.581   62.637  584.800   88.620  540.400   88.543   69.473   5.4456   66.693   5.6763 2.779495 7.866015 
1 1 1   20    8    3 o   21.869   1.8428   56.998   9.4274   58.500   13.339   55.500   13.325   22.055   2.6121   21.462   2.6883 0.5929871 3.748345 
1 1 1   20    8    4 o   77.896   4.3318  728.048   79.365  772.000  112.305  684.200  112.173   79.641   6.0161   74.796   6.4131 4.845284 8.793258 
1 1 1   20    8    5 o   31.142   2.1692  115.449   15.852  112.200   22.414  118.700   22.423   30.559   3.1513   31.456   3.0574 -0.8970490 4.390702 
1 1 1   20    8    6 o   83.961   4.6892  848.394   92.598  867.700  130.973  829.100  130.935   84.123   6.6475   82.144   6.8117 1.979004 9.517808 
1 1 1   20    8    7 o   31.494   2.1837  118.096   16.139  115.200   22.809  121.000   22.841   30.960   3.1644   31.751   3.0854 -0.7907734 4.419595 
1 1 1   20    8    8 o   87.039   4.8608  914.050   99.506  913.700  140.691  914.400  140.753   86.055   6.9838   86.088   6.9841 -0.3297424E-01 9.876796 
1 1 1   20    8    9 o   28.219   2.0635   94.850   13.654   95.200   19.299   94.500   19.322   28.143   2.9477   28.035   2.9636 0.1078243 4.179924 
1 1 1   20    8   10 o   27.938   2.0307   92.975   13.305  102.600   18.841   83.400   18.792   29.253   2.7601   26.292   3.0856 2.961218 4.139946 
1 1 1   20    8   11 o  105.428   5.8681  1357.84  145.510  1333.00  205.746  1382.70  205.819  102.541   8.5758  104.586   8.4049 -2.044144 12.00780 
1 1 1   20    8   12 o   21.016   1.8171   52.697   8.9289   54.500   12.638   50.900   12.616   21.267   2.5687   20.525   2.6660 0.7413177 3.702178 
1 1 1   20    8   13 o   70.295   3.9941  594.489   66.025  612.300   93.402  576.700   93.346   70.701   5.6416   68.521   5.8243 2.179306 8.108640 
1 1 1   20    8   14 o   78.168   4.4014  738.073   80.912  844.600  114.441  631.600  114.412   82.920   5.8829   71.125   6.8990 11.79494 9.066636 
1 1 1   20    8   15 o   89.936   4.9391  983.118  104.490  1062.10  147.895  904.400  147.647   92.307   6.8337   84.720   7.4563 7.586845 10.11410 
1 1 1   20    8   16 o   48.137   2.9344  277.264   33.197  288.200   46.917  266.300   46.977   48.776   4.1118   46.818   4.2972 1.957882 5.947524 
1 1 1   20    8   17 o   11.417   1.6536   15.760   4.3283   14.600   6.1476   16.900   6.0951   10.868   2.4536   11.729   2.2828 -0.8613977 3.351318 
1 1 1   20    8   18 o   64.505   3.7788  501.712   57.307  556.500   80.998  446.800   81.090   67.371   5.1300   60.018   5.7936 7.352654 7.738411 
1 1 1   20    8   19 f   78.181   4.4680  743.328   82.143  864.800  116.154  621.800  116.181   83.442   5.9338   69.917   7.1371 13.52438 9.281562 
1 1 1   20    8   20 f   15.787   1.6831   29.879   6.1777   31.400   8.7981   28.400   8.6764   16.070   2.3914   15.247   2.4963 0.8229237 3.456887 
1 1 1   20    8   21 o   32.266   2.2326  124.455   16.906  146.700   23.906  102.200   23.911   34.898   2.9280   28.927   3.5768 5.970909 4.622419 
1 1 1   20    8   22 o   39.089   2.4673  183.044   22.658  218.100   32.068  148.100   32.017   42.477   3.2211   34.729   3.9759 7.748131 5.116929 
1 1 1   20    8   23 o   63.765   3.6543  494.219   54.794  572.800   77.531  415.800   77.451   67.930   4.8656   57.228   5.8120 10.70205 7.579787 
1 1 1   20    8   24 o   21.205   1.7148   53.781   8.5129   66.700   12.096   41.100   11.983   23.542   2.2014   18.283   2.8703 5.259438 3.617242 
1 1 1   20    8   25 o   32.437   2.2735  126.433   17.304  148.400   24.453  104.400   24.490   34.942   2.9925   29.049   3.6509 5.893061 4.720585 
1 1 1   20    8   26 o   43.520   2.8085  229.397   28.708  261.700   40.539  196.900   40.660   46.049   3.7610   39.570   4.4274 6.479527 5.809213 
1 1 1   20    8   27 o   51.127   3.1327  318.820   37.639  360.800   53.217  276.800   53.243   53.713   4.2300   46.553   4.9179 7.160088 6.486802 
1 1 1   20    8   28 o   10.527   1.5194   13.449   3.6676   18.000   5.3108   9.3000   5.0711   12.132   1.9176   8.6622   2.3977 3.469426 3.070198 
1 1 1   20    8   29 o   22.608   1.7634   61.362   9.3396   75.000   13.276   48.000   13.141   24.878   2.2855   19.679   2.9163 5.199402 3.705140 
1 1 1   20    8   30 o   22.324   1.6872   59.778   8.8282   74.300   12.606   45.800   12.368   24.783   2.1761   19.238   2.8050 5.544516 3.550103 
1 1 1   20    8   31 o   31.133   2.0246  116.699   14.803  136.000   21.046   97.800   20.825   33.379   2.6931   28.076   3.1982 5.302864 4.181038 
1 1 1   20    8   32 o   23.012   2.7749   65.300   14.774   65.300   14.774   0.0000   0.0000   23.012   2.7749  ?   ?  0.000000 2.774942 
1 1 1   20    8   33 o   45.812   4.2702  269.100   45.663  269.100   45.663   0.0000   0.0000   45.812   4.2702  ?   ?  0.000000 4.270238 
1 1 1   20    8   34 o   20.665   2.6968   53.000   12.846   53.000   12.846   0.0000   0.0000   20.665   2.6968  ?   ?  0.000000 2.696768 
1 1 1   20    8   35 o   19.639   2.6327   48.000   11.902   48.000   11.902   0.0000   0.0000   19.639   2.6327  ?   ?  0.000000 2.632728 
1 1 1   20    8   36 o   24.422   2.9152   74.900   16.479   74.900   16.479   0.0000   0.0000   24.422   2.9152  ?   ?  0.000000 2.915225 
1 1 1   20    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    8   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9    0 o   18.390   2.7428   42.600   11.131   42.600   11.131   42.600   11.131   18.390   2.7428   18.390   2.7428 0.000000 0.000000 
1 1 1   20    9    1 o   28.471   2.0818   96.508   13.899   88.100   19.665  104.900   19.647   27.044   3.1377   29.588   2.8471 -2.543676 4.236903 
1 1 1   20    9    2 o   81.244   4.5489  793.200   86.919  803.600  122.922  782.800  122.922   81.059   6.4760   79.957   6.5685 1.101265 9.224071 
1 1 1   20    9    3 o   59.011   3.3826  415.886   46.939  467.900   66.423  364.000   66.341   62.329   4.5443   54.761   5.1924 7.568169 6.900119 
1 1 1   20    9    4 o   29.154   2.0939  101.195   14.319  103.700   20.271   98.700   20.230   29.395   2.9606   28.658   3.0356 0.7370586 4.240305 
1 1 1   20    9    5 o   51.117   2.9874  311.624   35.902  349.800   50.824  273.600   50.723   53.958   4.0176   47.555   4.5734 6.403557 6.087453 
1 1 1   20    9    6 o   90.122   4.7593  978.484  100.924  1171.80  142.846  785.800  142.612   97.981   6.2060   79.443   7.6988 18.53842 9.888684 
1 1 1   20    9    7 o   79.968   4.4898  769.598   84.439  759.500  119.402  779.700  119.428   78.639   6.4879   79.727   6.3976 -1.087219 9.111620 
1 1 1   20    9    8 o   53.651   3.1730  343.898   40.019  338.100   56.587  349.700   56.605   52.861   4.5786   53.789   4.4979 -0.9278107 6.418284 
1 1 1   20    9    9 o   55.344   3.1085  365.847   40.460  426.200   57.316  305.900   57.123   59.505   4.1042   50.152   4.8855 9.352852 6.380638 
1 1 1   20    9   10 f   27.221   2.0054   88.281   12.800  100.100   18.116   76.500   18.087   28.900   2.6853   25.157   3.1110 3.742819 4.109638 
1 1 1   20    9   11 o   20.107   1.8038   48.263   8.4732   51.400   11.959   45.100   12.007   20.655   2.5029   19.293   2.7104 1.362547 3.689274 
1 1 1   20    9   12 o   41.655   2.5490  206.931   24.952  232.000   35.336  182.000   35.239   43.946   3.4325   38.787   3.9004 5.158752 5.195626 
1 1 1   20    9   13 o  107.385   5.9424  1414.36  150.098  1496.10  212.380  1332.80  212.160  108.517   8.3522  101.907   8.9060 6.610245 12.20966 
1 1 1   20    9   14 o   88.108   4.9147  942.947  101.844  1040.80  144.069  845.200  143.990   91.495   6.7151   81.874   7.5322 9.620888 10.09092 
1 1 1   20    9   15 o   90.445   4.9442  994.925  105.194  1134.40  148.860  855.800  148.673   95.495   6.6427   82.126   7.7582 13.36877 10.21354 
1 1 1   20    9   16 o   18.621   1.7450   41.443   7.5834   43.000   10.748   39.900   10.702   18.859   2.4731   18.137   2.5707 0.7214870 3.567134 
1 1 1   20    9   17 o   63.647   3.6335  487.535   54.382  546.900   76.950  428.300   76.866   66.914   4.9042   58.873   5.5965 8.041653 7.441213 
1 1 1   20    9   18 o   62.854   3.6622  476.071   54.119  530.000   76.521  422.100   76.551   65.789   4.9622   58.372   5.6233 7.417492 7.499651 
1 1 1   20    9   19 o   28.435   2.0796   96.549   13.867   93.400   19.607   99.700   19.614   27.788   3.0376   28.743   2.9308 -0.9548359 4.221016 
1 1 1   20    9   20 o   21.182   1.7712   53.592   8.7782   63.800   12.450   43.500   12.379   23.039   2.3200   18.872   2.8680 4.166868 3.688923 
1 1 1   20    9   21 o   31.174   2.2367  116.266   16.356  126.500   23.056  105.900   23.205   32.348   3.0545   29.488   3.3945 2.860378 4.566469 
1 1 1   20    9   22 o   56.907   3.2908  391.256   44.032  467.900   62.309  314.800   62.232   61.768   4.2988   50.087   5.3442 11.68006 6.858556 
1 1 1   20    9   23 o   17.954   1.7543   38.659   7.3425   37.900   10.448   39.400   10.321   17.615   2.5891   17.987   2.4972 -0.3718758 3.597196 
1 1 1   20    9   24 o   45.494   2.9063  250.081   31.058  282.600   43.835  217.300   44.011   47.944   3.9059   41.707   4.5423 6.236301 5.990671 
1 1 1   20    9   25 o   42.329   2.7467  216.600   27.306  239.900   38.535  193.100   38.700   44.133   3.7326   39.329   4.2338 4.804485 5.644284 
1 1 1   20    9   26 o   8.8902   1.7275   9.7269   3.4959   2.5000   4.9707   16.800   4.9175   6.0257   2.3745   11.737   1.8344 -5.711005 3.000547 
1 1 1   20    9   27 o   46.769   2.9360  266.095   32.260  300.300   45.593  231.800   45.653   49.115   3.9649   42.736   4.5961 6.378731 6.069979 
1 1 1   20    9   28 f   27.215   1.9632   89.017   12.532  107.600   17.762   70.600   17.683   29.764   2.5519   23.850   3.2223 5.913610 4.110376 
1 1 1   20    9   29 o   9.5456   1.6823   11.178   3.6534   10.700   5.3352   11.600   5.0131   9.2556   2.4154   9.6385   2.2445 -0.3829670 3.297270 
1 1 1   20    9   30 o   19.883   1.6272   47.436   7.5729   58.500   10.870   37.000   10.556   21.982   2.1204   17.291   2.6715 4.690372 3.410698 
1 1 1   20    9   31 o   44.773   2.7499  244.372   28.933  264.200   40.999  224.700   40.836   45.908   3.8166   42.084   4.1639 3.823364 5.648416 
1 1 1   20    9   32 o   20.832   1.8040   52.284   8.7862   53.700   12.496   50.900   12.357   20.899   2.5873   20.323   2.6370 0.5754414 3.694306 
1 1 1   20    9   33 f   35.800   3.5304  161.000   29.456  161.000   29.456   0.0000   0.0000   35.800   3.5304  ?   ?  0.000000 3.530394 
1 1 1   20    9   34 o   18.159   2.6121   41.000   10.878   41.000   10.878   0.0000   0.0000   18.159   2.6121  ?   ?  0.000000 2.612108 
1 1 1   20    9   35 o   35.602   3.5695  161.700   29.605  161.700   29.605   0.0000   0.0000   35.602   3.5695  ?   ?  0.000000 3.569519 
1 1 1   20    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20    9   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10    0 o   62.795   5.2870  480.100   77.118  480.100   77.118  480.100   77.118   62.795   5.2870   62.795   5.2870 0.000000 0.000000 
1 1 1   20   10    1 o  126.302   6.8954  1955.67  204.875  1817.00  289.552  2094.70  289.923  118.971   10.412  128.527   9.6226 -9.555191 14.17725 
1 1 1   20   10    2 o   29.512   2.1079  103.697   14.593  100.300   20.629  107.100   20.646   28.884   3.0717   29.875   2.9658 -0.9908733 4.269822 
1 1 1   20   10    3 f   91.992   4.9803  1020.92  107.782  1150.00  152.534  892.200  152.318   96.827   6.7127   84.727   7.6972 12.10004 10.21309 
1 1 1   20   10    4 o   18.700   1.7478   41.747   7.6286   36.900   10.785   46.600   10.792   17.426   2.7088   19.684   2.3695 -2.257376 3.598938 
1 1 1   20   10    5 o   24.297   1.9269   70.343   10.965   67.500   15.488   73.200   15.526   23.670   2.8269   24.682   2.7084 -1.011766 3.914922 
1 1 1   20   10    6 o   23.227   1.8871   64.301   10.261   65.000   14.505   63.600   14.517   23.241   2.6928   22.980   2.7286 0.2608280 3.833558 
1 1 1   20   10    7 o   51.700   3.0807  319.248   37.440  324.000   52.957  314.500   52.939   51.788   4.3713   51.000   4.4402 0.7884827 6.230814 
1 1 1   20   10    8 o   65.817   3.7517  519.481   58.067  535.300   82.167  503.700   82.071   66.317   5.2910   64.256   5.4607 2.061630 7.603567 
1 1 1   20   10    9 f   34.098   2.2939  138.550   18.363  130.300   25.969  146.800   25.969   32.878   3.3937   34.959   3.1806 -2.081123 4.651193 
1 1 1   20   10   10 o   85.721   4.6829  887.959   94.431  981.200  133.647  795.000  133.444   89.263   6.3826   79.884   7.1499 9.379578 9.584282 
1 1 1   20   10   11 o   83.214   4.6499  837.217   91.005  894.700  128.737  779.800  128.663   85.126   6.4524   79.164   6.9532 5.962051 9.485786 
1 1 1   20   10   12 o  128.494   6.8886  2047.85  208.253  2382.90  294.733  1713.80  294.295  136.094   9.2257  113.226   11.152 22.86808 14.47337 
1 1 1   20   10   13 o   63.888   3.5776  489.905   53.756  548.400   76.116  431.700   75.928   67.168   4.8313   59.304   5.4841 7.864170 7.308641 
1 1 1   20   10   14 o   86.026   4.7860  898.344   96.838  949.000  137.025  847.800  136.874   87.303   6.6978   82.217   7.1204 5.086212 9.775537 
1 1 1   20   10   15 f   62.710   3.8480  473.872   56.706  531.500   79.904  415.400   80.487   65.905   5.1760   57.873   5.9757 8.032127 7.905715 
1 1 1   20   10   16 o   29.509   2.0147  103.786   13.954  121.100   19.800   86.700   19.669   31.782   2.6629   26.755   3.1753 5.026503 4.144103 
1 1 1   20   10   17 o   9.1203   1.6327   10.151   3.3871   17.400   4.8065   3.0000   4.7738   11.992   1.7488   6.1338   2.3520 5.858477 2.930931 
1 1 1   20   10   18 o   65.082   3.7512  511.192   57.405  524.600   81.207  497.800   81.160   65.230   5.3184   63.455   5.4698 1.774784 7.629180 
1 1 1   20   10   19 o   45.902   2.7359  252.333   29.520  311.700   41.788  193.200   41.706   50.816   3.5039   39.629   4.5387 11.18673 5.733848 
1 1 1   20   10   20 o   27.718   2.0015   91.739   13.012  107.600   18.438   76.000   18.367   29.915   2.6371   24.983   3.1858 4.931938 4.135660 
1 1 1   20   10   21 o   38.321   2.4686  175.930   22.219  205.200   31.433  146.700   31.412   41.188   3.2585   34.587   3.9151 6.600693 5.093690 
1 1 1   20   10   22 o   42.854   2.7133  220.768   27.315  224.700   38.542  216.800   38.718   42.854   3.8497   42.052   3.9452 0.8024940 5.512297 
1 1 1   20   10   23 o   40.447   2.5693  196.683   24.411  220.200   34.535  173.200   34.511   42.501   3.4715   37.479   3.9594 5.021992 5.265748 
1 1 1   20   10   24 o   46.152   2.9236  257.701   31.697  279.100   44.722  236.100   44.932   47.539   4.0216   43.490   4.4374 4.048794 5.988696 
1 1 1   20   10   25 o   7.5033   1.7338   6.9673   3.0103   10.300   4.2462   3.6000   4.2682   9.1142   2.0255   6.1273   2.2498 2.986909 3.027266 
1 1 1   20   10   26 o   52.275   3.2809  333.971   40.295  404.300   56.917  263.300   57.055   56.888   4.2681   45.049   5.4761 11.83902 6.942988 
1 1 1   20   10   27 o   33.515   2.3772  135.669   18.691  153.100   26.345  118.000   26.523   35.305   3.1947   30.739   3.7305 4.565701 4.911482 
1 1 1   20   10   28 o   47.215   2.7986  271.123   31.063  313.200   44.023  229.400   43.837   50.197   3.7408   42.489   4.4346 7.708260 5.801684 
1 1 1   20   10   29 o   59.611   3.3883  437.907   47.497  512.500   67.281  363.800   67.061   63.493   4.5170   52.575   5.4824 10.91820 7.103465 
1 1 1   20   10   30 f   40.388   2.5117  197.845   23.835  238.700   33.752  157.200   33.665   43.982   3.2732   35.188   4.1301 8.793961 5.269873 
1 1 1   20   10   31 o   24.397   1.8428   71.596   10.538   84.400   14.965   59.000   14.843   26.329   2.4346   21.807   2.9588 4.522360 3.831672 
1 1 1   20   10   32 o   15.469   1.3750   28.691   4.9703   42.500   7.2905   16.700   6.7938   18.796   1.6596   11.523   2.5631 7.273076 3.053493 
1 1 1   20   10   33 o   29.603   1.9111  105.632   13.288  128.700   18.904   83.100   18.683   32.468   2.4845   25.787   3.1324 6.680395 3.998074 
1 1 1   20   10   34 o   9.3822   2.3712   11.100   5.2557   11.100   5.2557   0.0000   0.0000   9.3822   2.3712  ?   ?  0.000000 2.371186 
1 1 1   20   10   35 o   16.865   2.5989   35.600   10.017   35.600   10.017   0.0000   0.0000   16.865   2.5989  ?   ?  0.000000 2.598893 
1 1 1   20   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   10   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11    0 o   31.888   3.2350  124.200   23.785  124.200   23.785  124.200   23.785   31.888   3.2350   31.888   3.2350 0.000000 0.000000 
1 1 1   20   11    1 o   73.969   4.0922  656.521   71.199  711.900  100.808  601.400  100.573   76.504   5.6195   70.083   6.1392 6.421631 8.322752 
1 1 1   20   11    2 o  116.612   6.4514  1663.62  176.956  1748.20  250.298  1579.10  250.208  117.571   9.0861  111.272   9.6171 6.298714 13.23048 
1 1 1   20   11    3 o   69.678   3.9815  582.420   65.238  573.400   92.361  591.400   92.160   68.548   5.7593   69.664   5.6510 -1.115982 8.068713 
1 1 1   20   11    4 o   46.307   2.8375  255.807   30.877  242.700   43.679  268.900   43.655   44.830   4.1741   47.260   3.9479 -2.429871 5.745377 
1 1 1   20   11    5 o   33.351   2.2667  132.502   17.745  131.100   25.112  133.900   25.079   33.016   3.2637   33.378   3.2220 -0.3618660 4.586131 
1 1 1   20   11    6 o  120.392   6.6955  1783.48  189.595  1848.60  268.172  1718.40  268.083  120.139   9.5313  115.427   9.9323 4.711510 13.76573 
1 1 1   20   11    7 o   72.903   4.1318  639.098   70.837  616.700  100.175  661.500  100.182   70.884   6.0425   73.530   5.8174 -2.646187 8.387681 
1 1 1   20   11    8 o   88.739   4.9661  953.650  103.645  951.800  146.592  955.500  146.560   87.490   7.1583   87.671   7.1414 -0.1806717 10.11144 
1 1 1   20   11    9 o   1.9937   0.9119  -0.6749   0.9623   0.8000   1.6763  -1.4000   1.1753   3.4999   1.3790   1.9938   0.9432 1.506057 1.670698 
1 1 1   20   11   10 o   40.565   2.5707  196.300   24.497  199.200   34.644  193.400   34.644   40.655   3.6475   40.041   3.7060 0.6138916 5.199851 
1 1 1   20   11   11 o   60.056   3.4092  432.164   48.148  484.000   68.148  380.500   68.035   63.200   4.5979   55.783   5.2259 7.417233 6.960666 
1 1 1   20   11   12 o   91.314   4.9662  1012.71  106.681  1146.90  150.975  878.900  150.765   96.123   6.6932   83.402   7.7436 12.72116 10.23533 
1 1 1   20   11   13 o   23.314   1.8824   64.840   10.275   67.900   14.554   61.800   14.508   23.748   2.6401   22.619   2.7745 1.129238 3.829903 
1 1 1   20   11   14 o   34.699   2.3230  143.650   18.924  144.500   26.754  142.800   26.770   34.617   3.3134   34.406   3.3369 0.2110596 4.702540 
1 1 1   20   11   15 o   86.224   4.7094  903.436   95.524  1067.10  135.180  740.200  135.003   92.784   6.2056   76.302   7.5937 16.48213 9.806847 
1 1 1   20   11   16 o   88.678   4.8130  957.609  100.407  1081.00  142.136  834.700  141.858   93.087   6.5072   81.037   7.4982 12.04988 9.928088 
1 1 1   20   11   17 o   38.709   2.3800  178.884   21.649  215.100   30.666  142.900   30.568   42.309   3.0909   34.256   3.8453 8.053169 4.933536 
1 1 1   20   11   18 o   78.883   4.2765  755.712   79.361  863.300  112.384  648.700  112.083   83.416   5.7404   71.626   6.7048 11.78977 8.826475 
1 1 1   20   11   19 o   57.875   3.2146  402.789   43.759  478.100   61.972  327.900   61.798   62.674   4.2119   51.455   5.1555 11.21884 6.657267 
1 1 1   20   11   20 o   47.910   2.9177  275.790   32.852  319.700   46.465  231.900   46.454   51.272   3.8662   43.346   4.6093 7.925922 6.016060 
1 1 1   20   11   21 o   9.2743   1.6405   10.506   3.4612   9.8000   4.9161   11.200   4.8738   8.9028   2.3163   9.5088   2.2122 -0.6060266 3.203037 
1 1 1   20   11   22 o   55.224   3.1848  368.720   41.354  440.900   58.537  296.800   58.431   59.921   4.1629   48.591   5.1720 11.33029 6.639163 
1 1 1   20   11   23 o   60.688   3.7591  450.417   53.604  525.600   75.649  374.600   75.968   64.747   4.9863   53.844   6.0815 10.90345 7.864302 
1 1 1   20   11   24 o   30.713   2.2107  113.342   15.925  141.300   22.505   85.300   22.539   34.135   2.8171   26.168   3.7552 7.967392 4.694390 
1 1 1   20   11   25 o   38.556   2.5345  179.371   22.947  182.800   32.353  175.900   32.551   38.512   3.5993   37.728   3.7015 0.7845154 5.162943 
1 1 1   20   11   26 o   22.122   1.8948   58.824   9.8027   61.500   13.803   56.100   13.924   22.438   2.6567   21.368   2.8291 1.069563 3.880959 
1 1 1   20   11   27 o   20.882   1.7165   52.323   8.3892   66.200   11.942   38.800   11.788   23.399   2.1865   17.667   2.9283 5.732548 3.654534 
1 1 1   20   11   28 o   6.0065   1.6571   4.4314   2.4268   1.8000   3.4882   6.9000   3.3786   5.0707   1.9920   7.4571   1.9102 -2.386378 2.759884 
1 1 1   20   11   29 o   24.599   1.8913   72.773   10.902   86.800   15.460   58.900   15.375   26.713   2.4791   21.776   3.0756 4.937355 3.950377 
1 1 1   20   11   30 o   24.918   1.9198   74.748   11.209   84.100   15.897   65.500   15.808   26.238   2.5999   23.000   2.9808 3.238441 3.955330 
1 1 1   20   11   31 o   33.739   2.2104  137.566   17.513  158.300   24.848  117.100   24.687   35.886   2.9586   30.596   3.4789 5.290682 4.566861 
1 1 1   20   11   32 o   29.502   2.1020  105.203   14.548  113.000   20.636   97.500   20.512   30.263   2.9241   27.991   3.1585 2.271566 4.304253 
1 1 1   20   11   33 o   16.841   1.6174   34.209   6.3527   40.200   9.1356   28.600   8.8397   18.124   2.1783   15.135   2.5651 2.989352 3.365175 
1 1 1   20   11   34 o  ?   ?   -4.2000   0.5456  -4.2000   0.5456   0.0000   0.0000  ?   ?   ?   ?  0.000000      ? 
1 1 1   20   11   35 o   29.288   3.1673  108.300   21.556  108.300   21.556   0.0000   0.0000   29.288   3.1673  ?   ?  0.000000 3.167259 
1 1 1   20   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   11   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12    0 o   63.867   5.3439  497.300   79.295  497.300   79.295  497.300   79.295   63.867   5.3439   63.867   5.3439 0.000000 0.000000 
1 1 1   20   12    1 o   69.380   3.9440  577.643   64.348  558.400   90.985  596.900   91.020   67.599   5.7546   69.986   5.5533 -2.386269 7.997142 
1 1 1   20   12    2 f   62.711   3.6142  471.047   53.294  461.600   75.356  480.500   75.381   61.600   5.2299   62.895   5.1200 -1.294292 7.318919 
1 1 1   20   12    3 o   35.594   2.3320  150.926   19.492  161.900   27.597  140.000   27.536   36.728   3.2143   34.086   3.4694 2.642891 4.729538 
1 1 1   20   12    4 o   55.858   3.2824  373.147   43.105  387.900   60.966  358.400   60.952   56.615   4.6001   54.346   4.7989 2.268265 6.647584 
1 1 1   20   12    5 o   73.756   4.1771  654.348   72.451  667.500  102.469  641.200  102.453   73.816   5.9287   72.281   6.0585 1.535225 8.476768 
1 1 1   20   12    6 o   61.463   3.4177  452.134   49.407  504.200   70.018  400.500   69.727   64.564   4.6232   57.316   5.2087 7.247955 6.964537 
1 1 1   20   12    7 o   8.8560   1.6576   9.5849   3.3391   12.500   4.6945   6.6000   4.7504   10.090   2.0405   7.5235   2.3839 2.566305 3.137876 
1 1 1   20   12    8 o  107.544   5.9434  1415.32  150.347  1507.50  212.710  1323.30  212.535  109.205   8.3110  101.766   8.9347 7.439049 12.20259 
1 1 1   20   12    9 o   68.112   3.6435  556.406   58.388  673.000   82.696  440.500   82.452   74.548   4.7221   59.801   5.9165 14.74691 7.569891 
1 1 1   20   12   10 o   85.033   4.7641  875.786   95.275  911.000  134.767  840.600  134.713   85.686   6.7142   82.109   7.0152 3.576958 9.710551 
1 1 1   20   12   11 o   42.998   2.6568  220.723   26.843  237.200   37.993  204.300   37.931   44.367   3.6591   41.080   3.9592 3.286438 5.391123 
1 1 1   20   12   12 o   45.604   2.5488  248.043   27.337  311.300   38.771  185.500   38.552   50.959   3.2388   39.039   4.2507 11.91973 5.343998 
1 1 1   20   12   13 o   63.884   3.6569  490.619   54.937  546.400   77.714  434.900   77.671   66.945   4.9513   59.418   5.6019 7.526623 7.476373 
1 1 1   20   12   14 o   45.848   2.6400  251.027   28.461  302.500   40.338  200.000   40.163   50.159   3.4262   40.517   4.2617 9.641933 5.468168 
1 1 1   20   12   15 o   46.207   2.7373  255.257   29.734  292.000   42.104  218.700   41.997   49.203   3.6498   42.374   4.2546 6.828987 5.605598 
1 1 1   20   12   16 o   27.975   2.0768   93.419   13.622   96.300   19.201   90.500   19.328   28.259   2.9195   27.360   3.0431 0.8984699 4.217062 
1 1 1   20   12   17 o   20.740   1.8112   51.401   8.7813   50.400   12.422   52.400   12.415   20.398   2.6410   20.816   2.5811 -0.4186630 3.692807 
1 1 1   20   12   18 o   62.699   3.4734  473.749   51.225  553.000   72.535  394.900   72.351   67.258   4.5946   56.357   5.5071 10.90179 7.172077 
1 1 1   20   12   19 o   73.686   4.1319  660.287   71.605  739.800  101.337  581.000  101.193   77.088   5.6053   67.741   6.4019 9.346664 8.509091 
1 1 1   20   12   20 o   43.601   2.6650  228.097   27.306  258.300   38.651  198.000   38.583   46.123   3.5768   40.156   4.1278 5.966660 5.461846 
1 1 1   20   12   21 o   14.196   1.6574   24.240   5.4511   24.900   7.7663   23.600   7.6530   14.255   2.3919   13.863   2.4263 0.3926964 3.407056 
1 1 1   20   12   22 o   32.127   2.1005  123.548   15.848  152.200   22.492   95.300   22.333   35.524   2.7015   27.849   3.4715 7.675114 4.398793 
1 1 1   20   12   23 o   32.847   2.3573  129.747   18.162  143.300   25.548  115.900   25.824   34.277   3.1932   30.645   3.6398 3.631310 4.841999 
1 1 1   20   12   24 o   21.241   1.9653   54.265   9.7454   68.700   13.682   39.400   13.884   23.806   2.4698   17.708   3.4444 6.097977 4.238398 
1 1 1   20   12   25 o   30.011   3.1226  110.400   21.805  110.400   21.805   0.0000   0.0000   30.011   3.1226  ?   ?  0.000000 3.122577 
1 1 1   20   12   26 o   18.861   1.8342   42.834   8.0655   55.500   11.369   30.000   11.444   21.389   2.2864   15.415   3.2466 5.974224 3.970885 
1 1 1   20   12   27 o   12.927   1.5258   20.153   4.5677   29.900   6.5454   10.900   6.3774   15.730   1.7942   9.3885   2.7197 6.341573 3.258203 
1 1 1   20   12   28 o   29.320   2.0694  103.508   14.235  124.100   20.177   83.100   20.087   31.909   2.7032   25.829   3.3741 6.080822 4.323377 
1 1 1   20   12   29 o   9.8146   1.5422   11.743   3.4563   17.500   5.0320   6.6000   4.7557   11.967   1.8396   7.4697   2.3871 4.497332 3.013746 
1 1 1   20   12   30 o   26.176   1.9242   82.464   11.811   94.100   16.803   71.100   16.605   27.766   2.5927   23.965   2.9999 3.800812 3.965028 
1 1 1   20   12   31 o   34.469   2.2273  143.626   18.032  174.600   25.574  113.000   25.430   37.728   2.8926   29.951   3.6725 7.776758 4.674884 
1 1 1   20   12   32 o   12.486   1.5695   18.891   4.5252   24.000   6.5051   14.100   6.2990   13.993   2.0279   10.571   2.5524 3.421961 3.259907 
1 1 1   20   12   33 o   11.606   1.4068   16.288   3.7766   25.600   5.5580   8.3000   5.1475   14.537   1.6482   8.2076   2.4609 6.329653 2.961915 
1 1 1   20   12   34 o   28.877   3.1147  104.800   20.902  104.800   20.902   0.0000   0.0000   28.877   3.1147  ?   ?  0.000000 3.114720 
1 1 1   20   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   12   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13    0 o   22.722   2.8096   63.900   14.456   63.900   14.456   63.900   14.456   22.722   2.8096   22.722   2.8096 0.000000 0.000000 
1 1 1   20   13    1 o   69.316   3.9541  577.053   64.451  650.400   91.146  503.700   91.150   73.117   5.3154   63.988   6.1066 9.128643 8.095922 
1 1 1   20   13    2 f   53.799   3.1503  345.947   39.847  354.800   56.524  337.200   56.182   54.160   4.4593   52.764   4.5539 1.396008 6.373642 
1 1 1   20   13    3 o   66.397   3.7963  528.992   59.274  501.900   83.815  556.100   83.839   64.068   5.5962   67.579   5.2961 -3.511398 7.704991 
1 1 1   20   13    4 o   71.101   4.0391  607.696   67.534  611.800   95.559  603.600   95.457   70.694   5.7748   70.200   5.8107 0.4938965 8.192209 
1 1 1   20   13    5 o  119.319   6.5758  1753.16  184.561  1883.50  261.145  1623.10  260.872  121.369   9.1798  111.856   9.9814 9.512589 13.56090 
1 1 1   20   13    6 f   51.039   3.0455  311.340   36.537  319.900   51.702  302.800   51.642   51.434   4.2962   49.997   4.4197 1.437565 6.163688 
1 1 1   20   13    7 o   27.371   2.0230   89.287   12.983   95.800   18.380   82.800   18.342   28.244   2.7924   26.197   3.0203 2.046352 4.113399 
1 1 1   20   13    8 o   20.570   1.7994   50.498   8.6523   52.000   12.246   49.000   12.226   20.766   2.5510   20.135   2.6347 0.6314564 3.667273 
1 1 1   20   13    9 o   36.531   2.3631  159.114   20.276  181.600   28.698  136.700   28.652   38.898   3.1514   33.605   3.6703 5.293114 4.837645 
1 1 1   20   13   10 o   59.917   3.4857  430.700   49.104  428.900   69.448  432.500   69.440   59.297   5.0066   59.556   4.9835 -0.2585945 7.064042 
1 1 1   20   13   11 o   22.842   1.8787   62.253   10.044   59.000   14.210   65.500   14.197   22.091   2.7861   23.322   2.6235 -1.231577 3.826869 
1 1 1   20   13   12 o   57.093   3.1491  390.287   42.292  459.100   59.902  321.900   59.717   61.635   4.1398   51.278   4.9952 10.35696 6.487678 
1 1 1   20   13   13 o   46.838   2.8545  262.444   31.420  267.100   44.462  257.800   44.408   46.948   4.0502   46.096   4.1233 0.8519058 5.779777 
1 1 1   20   13   14 o   50.237   2.9075  302.005   34.343  342.100   48.657  262.200   48.480   53.204   3.9001   46.362   4.4843 6.842285 5.943042 
1 1 1   20   13   15 o   54.293   3.0792  353.325   39.315  409.300   55.687  297.700   55.512   58.130   4.0828   49.270   4.8336 8.859421 6.327139 
1 1 1   20   13   16 o   46.072   2.6771  253.895   29.000  302.400   41.099  205.800   40.925   50.076   3.4976   41.033   4.2870 9.043633 5.532781 
1 1 1   20   13   17 o   54.771   3.2701  360.876   42.101  389.100   59.513  332.600   59.567   56.422   4.5044   51.971   4.9121 4.451416 6.664686 
1 1 1   20   13   18 o   27.136   1.9518   87.895   12.423  102.400   17.633   73.600   17.505   29.189   2.5850   24.605   3.0804 4.584185 4.021337 
1 1 1   20   13   19 o   69.382   3.8372  584.349   62.623  663.000   88.676  506.100   88.449   73.121   5.1690   63.324   5.9861 9.796841 7.908982 
1 1 1   20   13   20 o   25.882   1.8378   79.991   11.159   96.500   15.883   63.900   15.681   28.337   2.3961   22.892   2.9708 5.445370 3.816686 
1 1 1   20   13   21 f   22.307   1.8105   59.540   9.4549   68.400   13.417   50.800   13.326   23.805   2.4206   20.383   2.8463 3.421371 3.736361 
1 1 1   20   13   22 o   57.607   3.3474  403.273   45.339  449.900   64.172  356.800   64.066   60.149   4.5518   53.140   5.1710 7.008938 6.888980 
1 1 1   20   13   23 o   22.373   1.8913   60.061   9.8983   77.800   13.994   42.300   14.003   25.382   2.3619   18.400   3.3461 6.982271 4.095738 
1 1 1   20   13   24 o   21.534   1.8920   55.706   9.5230   69.000   13.440   42.300   13.496   23.865   2.4183   18.418   3.2203 5.446976 4.027198 
1 1 1   20   13   25 o   29.127   2.1580  102.101   14.737  121.400   20.813   82.700   20.869   31.573   2.8214   25.778   3.5203 5.794350 4.511396 
1 1 1   20   13   26 o   21.913   1.9651   57.847   10.060   80.200   14.181   35.200   14.274   25.729   2.3605   16.592   3.7336 9.137548 4.417210 
1 1 1   20   13   27 o   6.5557   1.7940   5.2927   2.8580   11.600   3.9690  -1.5000   4.1188   9.7085   1.7975   4.4192   1.9652 5.289295 2.663210 
1 1 1   20   13   28 o   43.330   2.6301  227.879   26.783  267.700   37.959  188.400   37.795   46.514   3.4812   38.562   4.2196 7.952045 5.470226 
1 1 1   20   13   29 o   10.294   1.6091   12.925   3.7834   20.000   5.4197   6.2000   5.2841   12.808   1.8452   7.4225   2.5229 5.385545 3.125704 
1 1 1   20   13   30 o   32.541   2.2473  128.068   17.162  135.900   24.322  120.300   24.221   33.159   3.1437   31.086   3.3527 2.072582 4.596061 
1 1 1   20   13   31 o   38.284   2.5116  178.294   22.580  186.100   31.946  170.500   31.919   38.566   3.5477   36.797   3.7248 1.768658 5.143911 
1 1 1   20   13   32 f   31.385   2.1237  119.270   15.647  147.700   22.178   91.100   22.077   34.670   2.7311   26.790   3.5793 7.880117 4.502292 
1 1 1   20   13   33 o   30.230   2.0410  110.705   14.484  138.200   20.557   83.600   20.411   33.529   2.6172   25.636   3.4601 7.893202 4.338452 
1 1 1   20   13   34 o   5.2523   1.9955   2.4000   3.4163   2.4000   3.4163   0.0000   0.0000   5.2523   1.9955  ?   ?  0.000000 1.995480 
1 1 1   20   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   13   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14    0 o  105.964   8.5926  1396.00  211.751  1396.00  211.751  1396.00  211.751  105.964   8.5926  105.964   8.5926 0.000000 0.000000 
1 1 1   20   14    1 o   45.913   2.8145  251.650   30.366  251.800   42.949  251.500   42.939   45.667   4.0239   45.640   4.0256 0.2787781E-01 5.691813 
1 1 1   20   14    2 o   88.786   4.9702  955.093  103.784  967.800  146.816  942.400  146.730   88.221   7.1079   86.986   7.2084 1.234222 10.12339 
1 1 1   20   14    3 o   63.678   3.6477  486.322   54.621  513.100   77.287  459.600   77.205   64.948   5.0798   61.337   5.3850 3.611504 7.402859 
1 1 1   20   14    4 o   46.998   2.8123  263.687   31.067  297.500   43.977  230.000   43.895   49.721   3.7738   43.544   4.3262 6.176704 5.740855 
1 1 1   20   14    5 o   71.831   4.0958  621.064   69.184  552.500   97.852  689.600   97.831   66.878   6.2693   75.116   5.5549 -8.237885 8.376260 
1 1 1   20   14    6 o   78.219   4.2875  737.593   78.891  816.800  111.679  658.700  111.457   81.624   5.8326   72.907   6.5437 8.716888 8.765824 
1 1 1   20   14    7 o   25.214   1.9458   75.793   11.495   80.900   16.269   70.700   16.245   25.944   2.6948   24.199   2.9007 1.745356 3.959323 
1 1 1   20   14    8 o   17.918   1.7058   38.365   7.1303   43.700   10.118   33.100   10.050   19.051   2.2952   16.476   2.6751 2.575369 3.524754 
1 1 1   20   14    9 o  121.192   6.5225  1817.41  185.974  2087.70  263.223  1548.00  262.791  127.582   8.7909  108.070   10.427 19.51206 13.63843 
1 1 1   20   14   10 o   99.870   5.5763  1221.06  130.980  1256.20  185.328  1186.00  185.138   99.507   7.9537   96.459   8.2061 3.047691 11.42808 
1 1 1   20   14   11 o   71.417   4.0698  615.399   68.350  616.800   96.712  614.000   96.611   70.706   5.8449   70.540   5.8529 0.1655960 8.271585 
1 1 1   20   14   12 o   42.901   2.6097  219.831   26.312  252.300   37.250  187.500   37.172   45.777   3.4719   39.273   4.0673 6.504726 5.347605 
1 1 1   20   14   13 o   13.680   1.6550   22.489   5.2373   26.200   7.4181   18.800   7.3952   14.693   2.2062   12.338   2.6194 2.355673 3.424656 
1 1 1   20   14   14 o   52.148   2.9686  325.697   36.405  386.500   51.549  265.200   51.420   56.549   3.8840   46.510   4.7485 10.03825 6.134604 
1 1 1   20   14   15 o   21.971   1.7952   57.620   9.2325   67.300   13.111   48.100   13.003   23.668   2.3781   19.879   2.8517 3.788799 3.713152 
1 1 1   20   14   16 o   53.041   3.0194  337.542   37.662  405.800   53.323  269.600   53.200   57.867   3.9255   46.765   4.8899 11.10277 6.270659 
1 1 1   20   14   17 o   54.333   3.1194  354.797   39.854  408.900   56.442  301.000   56.282   57.960   4.1514   49.389   4.8901 8.571041 6.414639 
1 1 1   20   14   18 o   21.588   1.7903   55.696   9.0442   63.800   12.833   47.700   12.748   23.014   2.3966   19.781   2.8081 3.233665 3.691736 
1 1 1   20   14   19 o   35.966   2.3466  154.908   19.820  170.700   28.067  139.200   27.992   37.544   3.1964   33.769   3.5642 3.774147 4.787524 
1 1 1   20   14   20 o   36.505   2.2719  159.584   19.487  190.100   27.658  129.500   27.461   39.665   2.9746   32.497   3.6413 7.168133 4.701816 
1 1 1   20   14   21 o   39.731   2.4516  189.574   22.888  232.200   32.417  147.200   32.321   43.755   3.1587   34.474   4.0473 9.281258 5.134047 
1 1 1   20   14   22 o   15.654   1.6623   29.453   6.0504   39.500   8.5768   19.500   8.5363   18.084   2.0443   12.473   2.9454 5.611523 3.585328 
1 1 1   20   14   23 o   13.268   1.6369   21.244   5.0197   26.600   7.1367   16.000   7.0618   14.779   2.1044   11.311   2.6843 3.468714 3.410869 
1 1 1   20   14   24 o   39.318   2.6067  186.887   24.064  202.500   33.938  171.100   34.127   40.524   3.5836   37.050   3.9621 3.473438 5.342323 
1 1 1   20   14   25 f   14.286   1.7368   24.673   5.7386   29.600   8.0573   19.600   8.1750   15.555   2.2597   12.489   2.8367 3.066310 3.626713 
1 1 1   20   14   26 o   19.601   1.8500   46.276   8.4617   53.500   11.905   38.900   12.029   20.942   2.4539   17.666   2.9902 3.276134 3.868211 
1 1 1   20   14   27 o   44.317   2.6675  238.387   27.785  290.900   39.355  186.200   39.232   48.535   3.4564   38.233   4.4274 10.30188 5.616855 
1 1 1   20   14   28 o   18.065   1.8167   39.369   7.6444   44.300   10.737   34.300   10.886   19.019   2.4477   16.577   2.8859 2.441902 3.784083 
1 1 1   20   14   29 o   32.253   2.2272  125.674   16.858  143.300   23.859  108.100   23.823   34.152   2.9887   29.411   3.4990 4.740866 4.601640 
1 1 1   20   14   30 o   68.901   3.5990  590.518   58.353  776.100   82.755  407.000   82.294   77.896   4.5185   54.074   6.5805 23.82121 7.982465 
1 1 1   20   14   31 o   31.218   2.0242  117.591   14.841  150.200   21.090   85.600   20.889   35.080   2.5637   26.050   3.4831 9.029858 4.324885 
1 1 1   20   14   32 o   20.630   1.7399   51.342   8.3972   68.800   11.930   34.200   11.822   23.782   2.1475   16.376   3.1717 7.406202 3.830395 
1 1 1   20   14   33 o   35.665   2.0995  154.305   17.604  206.200   25.054  103.700   24.740   40.962   2.6037   28.350   3.7905 12.61176 4.598616 
1 1 1   20   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   14   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15    0 o   77.805   6.3848  742.900  115.488  742.900  115.488  742.900  115.488   77.805   6.3848   77.805   6.3848 0.000000 0.000000 
1 1 1   20   15    1 o   35.138   2.3401  147.200   19.306  147.300   27.342  147.100   27.263   34.974   3.3518   34.952   3.3440 0.2243042E-01 4.734711 
1 1 1   20   15    2 o   78.714   4.4072  747.705   81.588  690.100  115.338  805.400  115.429   74.607   6.6155   80.927   6.0849 -6.319885 8.988314 
1 1 1   20   15    3 o  109.324   6.1123  1467.40  157.159  1477.60  222.256  1457.20  222.256  107.509   8.8329  106.696   8.9028 0.8123627 12.54114 
1 1 1   20   15    4 o   70.623   4.0283  600.336   66.900  615.600   94.655  585.100   94.567   70.849   5.7061   68.991   5.8602 1.858147 8.179358 
1 1 1   20   15    5 o   23.127   1.8790   63.790   10.172   74.300   14.393   53.300   14.379   24.886   2.4824   20.946   2.9922 3.940441 3.887840 
1 1 1   20   15    6 o   34.453   2.3151  141.553   18.725  157.200   26.479  125.900   26.484   36.173   3.1308   32.260   3.5344 3.913052 4.721649 
1 1 1   20   15    7 o   7.4252   1.7135   6.7916   2.9434   10.700   4.1158   2.7000   4.2111   9.3305   1.9317   5.7860   2.2113 3.544504 2.936207 
1 1 1   20   15    8 o   62.525   3.5690  469.390   52.475  519.000   74.256  419.900   74.166   65.308   4.8497   58.481   5.4328 6.826630 7.282473 
1 1 1   20   15    9 o   35.809   2.3693  152.999   19.921  154.400   28.178  151.600   28.167   35.784   3.3746   35.448   3.4071 0.3358231 4.795412 
1 1 1   20   15   10 f   84.980   4.7625  877.401   95.182  1020.90  134.631  734.000  134.585   90.733   6.3233   76.060   7.5950 14.67336 9.882677 
1 1 1   20   15   11 o   57.191   3.2839  392.330   44.163  342.800   62.411  442.000   62.500   52.870   5.0609   60.344   4.4168 -7.473358 6.717227 
1 1 1   20   15   12 o   66.255   3.7266  528.634   58.067  571.400   82.231  486.100   82.007   68.303   5.1360   62.760   5.5922 5.543503 7.592824 
1 1 1   20   15   13 o   33.296   2.2522  132.336   17.604  138.300   24.925  126.400   24.866   33.869   3.1527   32.333   3.3032 1.536163 4.566223 
1 1 1   20   15   14 o   14.614   1.6677   25.637   5.6521   30.300   8.0041   21.000   7.9825   15.819   2.2026   13.039   2.6821 2.779577 3.470541 
1 1 1   20   15   15 o   52.086   3.0925  325.779   37.865  346.700   53.576  304.900   53.522   53.334   4.2904   49.879   4.5958 3.455128 6.287201 
1 1 1   20   15   16 o   60.028   3.2400  433.371   45.757  522.900   64.848  344.600   64.572   65.554   4.2115   52.709   5.2582 12.84523 6.736862 
1 1 1   20   15   17 o   37.489   2.4108  168.209   21.229  184.000   30.062  152.500   29.983   38.996   3.2955   35.378   3.6410 3.617577 4.910933 
1 1 1   20   15   18 o   36.103   2.5115  156.382   21.278  178.600   29.969  133.800   30.214   38.370   3.3410   32.983   3.9585 5.387417 5.179954 
1 1 1   20   15   19 o   44.626   2.6773  239.305   28.083  277.000   39.765  201.800   39.665   47.718   3.5546   40.438   4.2159 7.280315 5.514438 
1 1 1   20   15   20 o   38.610   2.4401  178.973   22.132  199.500   31.358  158.600   31.241   40.500   3.3078   35.931   3.7367 4.568260 4.990420 
1 1 1   20   15   21 o   35.089   2.2616  147.762   18.639  177.900   26.398  117.800   26.321   38.311   2.9405   30.886   3.6816 7.424910 4.711736 
1 1 1   20   15   22 o   35.931   2.3077  155.178   19.476  178.500   27.646  132.200   27.442   38.290   3.0837   32.726   3.6112 5.564507 4.748705 
1 1 1   20   15   23 o   41.389   2.6749  207.142   26.003  253.100   36.757  161.100   36.791   45.425   3.4526   35.723   4.4585 9.701912 5.639050 
1 1 1   20   15   24 o   34.891   2.2533  146.551   18.466  178.000   26.178  115.400   26.053   38.228   2.9221   30.436   3.7011 7.791609 4.715581 
1 1 1   20   15   25 o   28.625   2.1873   98.791   14.673  121.400   20.687   75.900   20.815   31.550   2.8059   24.578   3.7013 6.972277 4.644672 
1 1 1   20   15   26 o   38.298   2.5092  177.577   22.566  229.500   31.920  125.700   31.906   43.264   3.1460   31.354   4.4330 11.91053 5.435886 
1 1 1   20   15   27 o   39.759   2.4892  191.398   23.252  233.800   32.942  149.300   32.824   43.604   3.2222   34.344   4.1302 9.260483 5.238403 
1 1 1   20   15   28 o   48.337   2.9836  285.831   33.888  327.800   47.936  243.900   47.914   51.081   4.0063   43.501   4.7412 7.579632 6.207224 
1 1 1   20   15   29 o   37.060   2.2589  165.938   19.674  224.400   27.910  108.200   27.737   42.881   2.7712   29.082   4.1572 13.79907 4.996172 
1 1 1   20   15   30 o   39.269   3.7535  194.100   34.382  194.100   34.382   0.0000   0.0000   39.269   3.7535  ?   ?  0.000000 3.753483 
1 1 1   20   15   31 o   42.480   2.6044  220.521   25.999  266.500   36.840  174.900   36.696   46.177   3.4025   36.748   4.3108 9.429272 5.491835 
1 1 1   20   15   32 o   8.9099   1.6844   9.8108   3.4141   12.900   4.8199   6.7000   4.8367   10.165   2.0782   7.4964   2.4086 2.668237 3.181275 
1 1 1   20   15   33 o   41.441   3.9988  222.600   38.646   0.0000   0.0000  222.600   38.646  ?   ?    41.441   3.9988 0.000000 3.998839 
1 1 1   20   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   15   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16    0 o   0.5532   0.4094  -1.5000   0.4307  -1.5000   0.4307  -1.5000   0.4307   0.5532   0.4094   0.5532   0.4094 0.000000 0.000000 
1 1 1   20   16    1 o   61.479   3.4665  453.187   50.120  487.100   71.052  419.600   70.710   63.316   4.7876   58.603   5.1624 4.712807 7.040723 
1 1 1   20   16    2 o  133.164   7.5219  2222.54  235.558  2272.50  333.154  2172.60  333.105  130.607   10.902  127.304   11.195 3.303055 15.62604 
1 1 1   20   16    3 o   36.692   2.4362  160.633   20.988  147.400   29.719  173.800   29.644   34.906   3.6600   38.005   3.3369 -3.098961 4.952846 
1 1 1   20   16    4 o   38.969   2.4783  181.177   22.687  163.900   32.063  198.500   32.106   36.805   3.7412   40.623   3.3776 -3.817772 5.040255 
1 1 1   20   16    5 o  110.249   6.1805  1497.85  160.253  1520.30  226.637  1475.40  226.627  108.678   8.9097  106.901   9.0631 1.776535 12.70916 
1 1 1   20   16    6 o   11.001   1.6304   14.639   4.1071   19.400   5.8149   9.9000   5.8019   12.636   2.0167   9.0219   2.5885 3.613780 3.281315 
1 1 1   20   16    7 o   22.619   1.8660   61.046   9.8777   70.100   13.973   52.000   13.966   24.159   2.4847   20.686   2.9419 3.472536 3.850805 
1 1 1   20   16    8 o   11.325   1.6219   15.495   4.2134   20.200   5.9940   10.900   5.9240   12.895   2.0361   9.4253   2.5844 3.469287 3.290112 
1 1 1   20   16    9 o   13.237   1.6364   21.065   5.0060   24.600   7.1157   17.600   7.0441   14.233   2.1872   11.937   2.5746 2.295337 3.378273 
1 1 1   20   16   10 o   59.891   3.4613  430.923   48.742  448.700   68.985  413.200   68.878   60.620   4.8601   58.071   5.0739 2.548393 7.025993 
1 1 1   20   16   11 o   89.475   4.9657  976.795  104.503  1040.60  147.912  913.200  147.668   90.990   6.9364   84.820   7.4481 6.169617 10.17783 
1 1 1   20   16   12 o   59.068   3.3958  419.441   47.165  459.800   66.750  379.200   66.653   61.391   4.6388   55.511   5.1432 5.879189 6.926143 
1 1 1   20   16   13 o   91.806   4.9624  1031.33  107.179  1161.60  151.763  901.700  151.386   96.059   6.7332   83.752   7.7423 12.30789 10.26057 
1 1 1   20   16   14 o   20.357   1.7624   49.508   8.3884   59.200   11.889   39.900   11.837   22.191   2.3023   18.062   2.8715 4.129560 3.680518 
1 1 1   20   16   15 o   7.1744   1.6128   6.3428   2.6660   9.3000   3.8080   3.5000   3.7336   8.6835   1.9091   5.8991   2.1128 2.784418 2.847566 
1 1 1   20   16   16 o   21.276   1.7741   54.091   8.8317   62.800   12.533   45.500   12.448   22.840   2.3577   19.311   2.8123 3.528944 3.669868 
1 1 1   20   16   17 o   29.024   2.0388  100.688   13.885  115.900   19.677   85.600   19.596   31.012   2.7143   26.502   3.1957 4.509590 4.192872 
1 1 1   20   16   18 o   46.471   2.6005  259.141   28.421  310.400   40.356  208.700   40.033   50.595   3.3976   41.152   4.1776 9.443096 5.384788 
1 1 1   20   16   19 o   43.338   2.6761  225.989   27.252  262.200   38.573  189.900   38.508   46.375   3.5493   39.156   4.2321 7.219589 5.523417 
1 1 1   20   16   20 o   38.569   2.3353  178.544   21.169  217.100   30.018  140.400   29.857   42.322   3.0236   33.711   3.8179 8.610386 4.870176 
1 1 1   20   16   21 o   40.346   2.5469  196.147   24.140  233.700   34.163  158.700   34.114   43.750   3.3319   35.680   4.1250 8.069866 5.302602 
1 1 1   20   16   22 o   43.231   2.5177  225.236   25.590  290.200   36.278  160.900   36.103   48.813   3.1644   35.765   4.3655 13.04803 5.391753 
1 1 1   20   16   23 o   47.018   2.9466  268.697   32.550  364.900   46.021  172.400   46.044   54.450   3.5996   36.288   5.5498 18.16231 6.614933 
1 1 1   20   16   24 o   51.522   2.9440  322.974   35.669  401.400   50.532  245.100   50.354   56.923   3.7809   43.669   4.9718 13.25401 6.246117 
1 1 1   20   16   25 o   39.426   2.4113  187.731   22.341  234.900   31.669  141.000   31.522   43.821   3.0801   33.442   4.0760 10.37893 5.108937 
1 1 1   20   16   26 o   17.640   1.7781   37.501   7.3053   38.700   10.325   36.300   10.338   17.742   2.5367   17.145   2.6379 0.5965786 3.659729 
1 1 1   20   16   27 o   48.674   2.9669  289.583   33.938  332.000   48.033  247.300   47.957   51.443   3.9852   43.855   4.7044 7.588120 6.165476 
1 1 1   20   16   28 o   13.360   1.5929   21.569   4.9263   28.900   7.0832   14.700   6.8560   15.408   1.9935   10.804   2.6960 4.604447 3.353009 
1 1 1   20   16   29 o   62.296   3.7018  484.297   54.210  574.200   76.687  394.500   76.641   66.514   4.9174   53.750   6.1491 12.76438 7.873456 
1 1 1   20   16   30 o   12.810   1.6484   19.914   4.8704   23.800   6.9198   16.100   6.8562   13.897   2.1804   11.292   2.6216 2.604930 3.409875 
1 1 1   20   16   31 o   35.120   2.2610  149.811   18.651  187.300   26.444  112.700   26.310   38.949   2.8959   29.655   3.8479 9.294226 4.815862 
1 1 1   20   16   32 o   22.117   1.8500   59.215   9.5734   79.500   13.567   39.100   13.511   25.499   2.2772   17.401   3.4100 8.098129 4.100478 
1 1 1   20   16   33 o   15.555   2.5203   30.300   8.9403   0.0000   0.0000   30.300   8.9403  ?   ?    15.555   2.5203 0.000000 2.520254 
1 1 1   20   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   16   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17    0 o   85.313   6.9808  898.400  138.464  898.400  138.464  898.400  138.464   85.313   6.9808   85.313   6.9808 0.000000 0.000000 
1 1 1   20   17    1 o  118.399   6.6598  1739.15  185.439  1730.80  262.302  1747.50  262.199  115.017   9.7495  115.639   9.6914 -0.6218338 13.74691 
1 1 1   20   17    2 o   88.802   4.9903  959.045  104.219  956.300  147.253  961.800  147.523   87.316   7.2061   87.575   7.1974 -0.2584763 10.18486 
1 1 1   20   17    3 o   42.373   2.5966  214.341   25.856  238.400   36.610  190.400   36.521   44.501   3.5125   39.632   3.9553 4.869968 5.289761 
1 1 1   20   17    4 o   38.056   2.4449  172.831   21.855  202.900   30.917  142.800   30.897   41.098   3.2112   34.282   3.8853 6.816280 5.040589 
1 1 1   20   17    5 o   55.407   3.2439  367.977   42.257  395.500   59.785  340.500   59.735   57.073   4.4719   52.802   4.8449 4.270344 6.593279 
1 1 1   20   17    6 o   68.067   3.7326  557.351   59.765  620.600   84.688  494.600   84.354   71.296   5.0632   63.326   5.7023 7.970135 7.625760 
1 1 1   20   17    7 o   24.239   1.9248   70.102   10.926   72.100   15.446   68.100   15.459   24.460   2.7203   23.746   2.8114 0.7133656 3.912076 
1 1 1   20   17    8 o   52.666   3.1417  332.455   38.893  337.400   54.974  327.500   55.031   52.663   4.4627   51.852   4.5402 0.8103027 6.366202 
1 1 1   20   17    9 o   49.586   2.8526  294.136   33.261  341.600   47.120  247.000   46.957   53.200   3.7754   44.983   4.4803 8.216660 5.858871 
1 1 1   20   17   10 o   43.764   2.6471  228.959   27.227  253.100   38.578  205.000   38.433   45.790   3.5968   41.065   4.0147 4.724182 5.390232 
1 1 1   20   17   11 o   58.354   3.3026  409.128   45.321  459.600   64.172  358.900   64.016   61.435   4.4537   53.999   5.0802 7.436504 6.756030 
1 1 1   20   17   12 o   63.909   3.4893  491.746   52.459  574.600   74.303  409.400   74.074   68.616   4.6126   57.450   5.5285 11.16576 7.200050 
1 1 1   20   17   13 o   44.853   2.5961  240.614   27.378  292.700   38.788  188.900   38.649   49.284   3.3529   39.285   4.2332 9.998642 5.400186 
1 1 1   20   17   14 o   49.475   2.8173  293.456   32.778  346.300   46.463  241.100   46.248   53.475   3.7023   44.302   4.4825 9.172817 5.813726 
1 1 1   20   17   15 o   61.653   3.5953  459.994   52.115  478.200   73.714  441.800   73.688   62.133   5.0683   59.582   5.2926 2.551197 7.327946 
1 1 1   20   17   16 o   11.417   1.6660   15.787   4.3590   22.200   6.1468   9.3000   6.1825   13.524   1.9838   8.8144   2.7085 4.709322 3.357310 
1 1 1   20   17   17 o   37.828   2.4094  171.548   21.410  189.700   30.321  153.500   30.234   39.540   3.2770   35.416   3.6684 4.124336 4.918976 
1 1 1   20   17   18 o   41.562   2.5134  207.430   24.551  249.400   34.770  165.700   34.671   45.335   3.2699   36.614   4.0794 8.720310 5.228183 
1 1 1   20   17   19 o   45.408   2.5929  248.069   27.687  299.800   39.263  196.900   39.049   49.625   3.3706   39.817   4.2174 9.808189 5.398793 
1 1 1   20   17   20 o   20.708   1.7929   51.416   8.6802   62.100   12.325   40.900   12.227   22.661   2.3367   18.195   2.9466 4.466381 3.760713 
1 1 1   20   17   21 f   30.839   2.0523  114.058   14.860  144.600   21.100   84.000   20.932   34.586   2.6026   26.037   3.4926 8.549622 4.355683 
1 1 1   20   17   22 o   29.111   1.9676  101.633   13.446  141.800   19.068   61.900   18.964   34.299   2.3688   22.177   3.7555 12.12187 4.440156 
1 1 1   20   17   23 o   46.317   2.8694  260.679   31.229  302.200   44.175  219.200   44.153   49.358   3.8199   41.557   4.5752 7.800846 5.960168 
1 1 1   20   17   24 o   29.603   2.1528  105.567   14.946  124.900   21.127   86.200   21.146   31.993   2.8256   26.297   3.4916 5.695784 4.491708 
1 1 1   20   17   25 o   46.254   2.8766  260.587   31.263  286.700   44.224  234.500   44.202   47.894   3.9454   42.987   4.4174 4.906788 5.922791 
1 1 1   20   17   26 o   24.930   1.9820   74.850   11.571   88.200   16.365   61.500   16.365   26.892   2.6099   22.217   3.2125 4.674948 4.139036 
1 1 1   20   17   27 o   25.494   2.0033   78.320   11.963   86.000   16.896   70.600   16.940   26.498   2.7399   23.868   3.0773 2.630316 4.120305 
1 1 1   20   17   28 o   45.804   2.8626  256.385   30.807  279.900   43.582  232.900   43.554   47.164   3.9495   42.696   4.3821 4.467972 5.899299 
1 1 1   20   17   29 o   30.816   2.2796  115.141   16.470  135.600   23.213   94.400   23.373   33.152   2.9977   27.289   3.7243 5.862663 4.780857 
1 1 1   20   17   30 o   27.880   2.0482   94.045   13.390  108.600   18.972   79.600   18.900   29.700   2.7360   25.171   3.2561 4.528694 4.252981 
1 1 1   20   17   31 o   15.549   1.6875   29.287   6.0963   33.500   8.6873   25.200   8.5571   16.478   2.2950   14.145   2.6595 2.332479 3.512841 
1 1 1   20   17   32 o   17.006   2.5655   36.100   9.9818   0.0000   0.0000   36.100   9.9818  ?   ?    17.006   2.5655 0.000000 2.565538 
1 1 1   20   17   33 o   10.301   2.4511   13.500   5.8761   0.0000   0.0000   13.500   5.8761  ?   ?    10.301   2.4511 0.000000 2.451143 
1 1 1   20   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   17   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18    0 o   13.832   2.7103   25.100   7.8816   25.100   7.8816   25.100   7.8816   13.832   2.7103   13.832   2.7103 0.000000 0.000000 
1 1 1   20   18    1 o  104.943   5.8059  1353.98  143.315  1417.70  202.948  1290.60  202.409  105.336   8.2244  100.082   8.6497 5.254166 11.93560 
1 1 1   20   18    2 o   46.155   2.8281  254.750   30.675  255.200   43.376  254.300   43.385   45.896   4.0437   45.811   4.0523 0.8421326E-01 5.724735 
1 1 1   20   18    3 o   56.303   3.3025  380.234   43.716  395.800   61.856  364.700   61.791   57.023   4.6338   54.648   4.8383 2.374622 6.699392 
1 1 1   20   18    4 o   57.732   3.3893  400.102   46.003  414.900   65.053  385.300   65.062   58.335   4.7641   56.128   4.9600 2.207340 6.877388 
1 1 1   20   18    5 o   36.764   2.3978  161.328   20.702  164.800   29.371  157.900   29.184   36.959   3.4037   36.157   3.4604 0.8014984 4.853803 
1 1 1   20   18    6 o   56.603   3.2781  384.392   43.628  421.900   61.748  347.000   61.652   58.917   4.4717   53.221   4.9630 5.696297 6.680337 
1 1 1   20   18    7 o   21.617   1.8448   55.802   9.3269   60.100   13.186   51.500   13.194   22.331   2.5462   20.606   2.7828 1.725489 3.771865 
1 1 1   20   18    8 o   75.960   4.2782  699.203   76.426  745.300  108.137  653.200  108.028   77.520   5.9529   72.279   6.3954 5.240746 8.737143 
1 1 1   20   18    9 o   15.001   1.6591   26.988   5.7787   23.500   8.1585   30.500   8.1862   13.827   2.5941   15.865   2.2480 -2.038477 3.432575 
1 1 1   20   18   10 o   24.843   1.9525   73.691   11.361   74.400   16.172   73.000   15.965   24.816   2.8092   24.580   2.8005 0.2356720 3.966686 
1 1 1   20   18   11 o   49.435   2.9318  293.029   34.071  332.600   48.226  253.600   48.140   52.369   3.9285   45.480   4.5434 6.889194 6.006249 
1 1 1   20   18   12 o   21.051   1.7712   52.930   8.7226   61.500   12.387   44.500   12.285   22.611   2.3544   19.107   2.8066 3.504145 3.663367 
1 1 1   20   18   13 o   97.003   5.4687  1166.99  124.756  1247.00  176.496  1087.10  176.367   98.046   7.6848   90.829   8.3153 7.216965 11.32254 
1 1 1   20   18   14 o   28.672   2.0800   98.288   13.987  100.900   19.824   95.700   19.737   28.875   2.9488   28.096   3.0224 0.7789516 4.222632 
1 1 1   20   18   15 o   47.208   2.7734  267.728   30.781  314.900   43.588  220.800   43.475   50.902   3.6506   42.286   4.4191 8.615517 5.731959 
1 1 1   20   18   16 o   32.434   2.1968  125.962   16.726  139.000   23.689  113.000   23.620   33.885   2.9912   30.428   3.3424 3.456747 4.485384 
1 1 1   20   18   17 o   30.150   2.0441  108.775   14.467  131.000   20.517   86.800   20.402   32.958   2.6589   26.611   3.3189 6.347712 4.252644 
1 1 1   20   18   18 o   16.807   1.6927   33.911   6.6268   37.400   9.4248   30.500   9.3196   17.538   2.3338   15.750   2.5963 1.787265 3.491020 
1 1 1   20   18   19 o   20.896   1.8034   52.357   8.8114   55.900   12.538   48.900   12.386   21.446   2.5241   19.999   2.6911 1.447107 3.689594 
1 1 1   20   18   20 o   49.516   2.9564  297.263   34.409  354.700   48.699  240.000   48.625   53.616   3.8725   43.536   4.8103 10.08041 6.175340 
1 1 1   20   18   21 o   65.591   3.8784  531.508   59.803  550.100   84.556  512.900   84.593   65.267   5.5387   62.783   5.7705 2.483814 7.998517 
1 1 1   20   18   22 o   54.628   3.2847  365.135   42.175  411.800   59.654  318.500   59.635   57.208   4.4510   49.758   5.1499 7.449512 6.806806 
1 1 1   20   18   23 o   43.098   2.6642  225.147   26.980  267.700   38.203  182.800   38.110   46.584   3.4985   38.012   4.3226 8.571625 5.560997 
1 1 1   20   18   24 o   55.099   3.1412  371.297   40.700  462.300   57.639  280.800   57.479   60.833   4.0354   46.392   5.3446 14.44112 6.696997 
1 1 1   20   18   25 o   49.789   2.7877  301.418   32.643  389.100   46.279  214.600   46.051   56.127   3.5095   40.768   4.8806 15.35843 6.011345 
1 1 1   20   18   26 o   4.1583   1.4893   1.7431   1.8551   1.8000   2.8247   1.7000   2.4600   4.7184   1.8093   4.4710   1.6946 0.2474751 2.478899 
1 1 1   20   18   27 o   33.900   2.2754  138.917   18.109  156.400   25.671  121.600   25.550   35.646   3.0801   31.198   3.5303 4.447924 4.685100 
1 1 1   20   18   28 o   37.686   2.5023  172.605   22.141  197.000   31.309  148.200   31.316   39.830   3.3603   34.187   3.9521 5.643066 5.187549 
1 1 1   20   18   29 o   10.859   1.6945   14.425   4.2034   18.800   5.9616   10.100   5.9276   12.330   2.1243   9.0140   2.6251 3.315822 3.376941 
1 1 1   20   18   30 o   7.2934   1.9601   6.6170   3.4482   13.500   4.6616  -1.7000   5.1242   10.432   1.9644   4.9394   2.1944 5.492946 2.945193 
1 1 1   20   18   31 o   14.667   2.4864   26.900   8.3040   0.0000   0.0000   26.900   8.3040  ?   ?    14.667   2.4864 0.000000 2.486432 
1 1 1   20   18   32 o   14.643   2.4978   26.900   8.3273   0.0000   0.0000   26.900   8.3273  ?   ?    14.643   2.4978 0.000000 2.497849 
1 1 1   20   18   33 o   26.095   3.0604   86.300   18.500   0.0000   0.0000   86.300   18.500  ?   ?    26.095   3.0604 0.000000 3.060402 
1 1 1   20   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   18   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19    0 o   28.538   3.0827  100.000   20.160  100.000   20.160  100.000   20.160   28.538   3.0827   28.538   3.0827 0.000000 0.000000 
1 1 1   20   19    1 o  105.097   5.9641  1364.02  147.401  1416.00  208.322  1311.90  208.592  104.778   8.4929  100.436   8.8870 4.341812 12.29258 
1 1 1   20   19    2 o   28.105   2.0260   94.207   13.356  103.600   18.932   84.900   18.845   29.359   2.7633   26.493   3.0691 2.866474 4.129782 
1 1 1   20   19    3 o   57.119   3.3411  391.785   44.868  409.000   63.481  374.600   63.426   57.906   4.6827   55.315   4.9068 2.591080 6.782620 
1 1 1   20   19    4 o   21.839   1.8512   56.952   9.4567   55.600   13.385   58.300   13.363   21.438   2.7042   21.974   2.6273 -0.5362968 3.770355 
1 1 1   20   19    5 o   47.551   2.9061  270.808   32.474  269.300   46.043  272.300   45.808   47.062   4.1869   47.341   4.1393 -0.2786560 5.887590 
1 1 1   20   19    6 o   72.179   4.1378  630.766   70.231  595.700   99.345  665.800   99.299   69.112   6.1517   73.313   5.7829 -4.201057 8.443036 
1 1 1   20   19    7 o   72.738   4.1189  640.717   70.457  679.100   99.684  602.400   99.597   74.032   5.7473   69.476   6.1338 4.555946 8.405656 
1 1 1   20   19    8 f   38.170   2.4499  174.125   21.965  184.300   31.101  164.000   31.025   39.059   3.4061   36.774   3.6197 2.285275 4.970338 
1 1 1   20   19    9 o   17.854   1.7343   38.147   7.2195   38.700   10.235   37.600   10.185   17.858   2.4953   17.593   2.5239 0.2657928 3.549208 
1 1 1   20   19   10 o   34.181   2.4022  139.779   19.266  158.500   27.154  120.800   27.340   36.232   3.2069   31.455   3.7551 4.777658 4.938131 
1 1 1   20   19   11 o   89.350   5.0817  983.176  106.774  993.600  151.179  972.800  150.825   87.887   7.3521   86.890   7.4221 0.9970016 10.44703 
1 1 1   20   19   12 o   40.441   2.5775  195.996   24.486  193.900   34.596  198.100   34.660   39.909   3.7137   40.354   3.6777 -0.4449654 5.226535 
1 1 1   20   19   13 o   48.811   2.9801  286.711   34.184  293.400   48.302  280.000   48.385   48.922   4.2226   47.735   4.3400 1.187134 6.055208 
1 1 1   20   19   14 o   17.894   1.6871   38.341   7.0447   46.200   10.001   30.600   9.9252   19.572   2.2021   15.764   2.7673 3.808220 3.536603 
1 1 1   20   19   15 o   36.105   2.2848  156.141   19.379  198.500   27.457  114.100   27.354   40.563   2.8854   30.395   3.9013 10.16850 4.852371 
1 1 1   20   19   16 o   47.163   2.7897  267.976   30.931  312.900   43.828  223.400   43.658   50.608   3.6930   42.400   4.4256 8.207771 5.764051 
1 1 1   20   19   17 o   64.811   3.7401  514.027   56.996  605.900   80.636  422.300   80.572   69.489   4.9465   57.111   6.0674 12.37778 7.828275 
1 1 1   20   19   18 o   13.535   1.6728   22.108   5.2327   24.700   7.3885   19.500   7.4119   14.199   2.2808   12.523   2.5919 1.676747 3.452536 
1 1 1   20   19   19 o   9.4251   1.7979   10.925   3.8554   16.200   5.3669   5.3000   5.5420   11.481   2.0551   7.1859   2.5741 4.294781 3.293849 
1 1 1   20   19   20 o   9.6452   1.7167   11.401   3.7666   8.3000   5.1731   14.900   5.4949   8.2606   2.4649   10.970   2.1979 -2.709036 3.302469 
1 1 1   20   19   21 o   71.983   4.3568  648.861   73.707  821.300  104.174  476.000  104.302   79.597   5.5777   58.139   7.7935 21.45771 9.583843 
1 1 1   20   19   22 f   10.574   1.8764   13.737   4.5138   24.000   6.2705   2.7000   6.5029   14.045   1.9428   6.7091   2.6922 7.335470 3.319949 
1 1 1   20   19   23 f   39.632   2.5530  190.155   23.766  266.400   33.619  114.000   33.600   46.693   3.0662   29.576   4.9884 17.11646 5.855404 
1 1 1   20   19   24 o   62.103   3.7343  478.433   54.508  595.300   77.075  361.500   77.097   68.235   4.8144   51.544   6.4774 16.69067 8.070609 
1 1 1   20   19   25 o   55.170   3.1558  373.059   40.942  519.600   57.969  227.200   57.834   64.605   3.8168   40.929   6.1762 23.67647 7.260425 
1 1 1   20   19   26 o   51.540   2.9279  324.564   35.487  444.600   50.300  205.600   50.075   59.867   3.5744   39.287   5.5524 20.58038 6.603440 
1 1 1   20   19   27 o   15.411   1.7092   28.693   6.1149   33.500   8.6537   23.900   8.6419   16.533   2.2770   13.800   2.7486 2.733420 3.569238 
1 1 1   20   19   28 o   38.230   2.2772  177.000   20.464  216.600   29.109  138.300   28.776   41.955   2.9571   33.063   3.7522 8.891697 4.777356 
1 1 1   20   19   29 o   50.001   3.0620  309.262   35.979  346.000   50.943  272.700   50.821   51.890   4.1934   45.468   4.8064 6.422817 6.378523 
1 1 1   20   19   30 o   50.091   3.1253  312.506   36.782  319.700   52.364  305.500   51.677   49.271   4.5522   48.100   4.6062 1.171028 6.476086 
1 1 1   20   19   31 o   33.066   3.3837  138.600   26.048   0.0000   0.0000  138.600   26.048  ?   ?    33.066   3.3837 0.000000 3.383741 
1 1 1   20   19   32 o   24.843   2.9218   77.700   16.813   0.0000   0.0000   77.700   16.813  ?   ?    24.843   2.9218 0.000000 2.921767 
1 1 1   20   19   33 o   11.038   2.5695   15.600   6.5720   0.0000   0.0000   15.600   6.5720  ?   ?    11.038   2.5695 0.000000 2.569494 
1 1 1   20   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   19   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20    0 f   50.150   4.4012  307.400   51.197  307.400   51.197  307.400   51.197   50.150   4.4012   50.150   4.4012 0.000000 0.000000 
1 1 1   20   20    1 o   71.307   4.0157  614.888   67.342  663.800   95.297  566.100   95.175   73.329   5.5445   67.412   6.0431 5.917145 8.201262 
1 1 1   20   20    2 o   50.340   3.0151  303.840   35.676  278.000   50.443  329.700   50.464   47.683   4.5346   52.105   4.1354 -4.422634 6.137136 
1 1 1   20   20    3 o   14.073   1.7300   23.827   5.6281   18.600   8.0198   28.900   7.9003   12.245   2.8302   15.438   2.2320 -3.192397 3.604429 
1 1 1   20   20    4 o   87.037   4.8350  925.149   98.981  971.100  140.212  879.500  139.751   87.768   6.8188   83.219   7.1820 4.548599 9.903387 
1 1 1   20   20    5 o   8.6538   1.6240   9.1619   3.1967   11.000   4.5695   7.4000   4.4737   9.4400   2.1037   7.8179   2.2817 1.622080 3.103481 
1 1 1   20   20    6 o   30.971   2.2360  114.622   16.243  130.300   22.919   98.800   23.024   32.887   2.9838   28.484   3.4965 4.403292 4.596558 
1 1 1   20   20    7 o   45.648   2.7993  249.682   30.028  244.000   42.402  255.400   42.532   44.767   4.0552   45.837   3.9687 -1.070210 5.674018 
1 1 1   20   20    8 f   90.771   5.0699  1012.72  108.234  955.000  152.900  1070.70  153.232   86.065   7.6017   91.604   7.1403 -5.539276 10.42924 
1 1 1   20   20    9 o   47.199   2.9111  267.478   32.286  277.300   45.596  257.600   45.724   47.682   4.0891   45.879   4.2695 1.802757 5.911841 
1 1 1   20   20   10 o   53.138   3.1771  340.096   39.683  339.000   56.015  341.200   56.226   52.510   4.5629   52.680   4.5650 -0.1703186 6.454412 
1 1 1   20   20   11 o   50.705   3.0595  309.550   36.462  310.900   51.567  308.200   51.562   50.311   4.3844   50.082   4.4048 0.2291374 6.214873 
1 1 1   20   20   12 o   53.210   3.0096  340.886   37.661  413.400   53.340  268.800   53.182   58.243   3.9008   46.466   4.9218 11.77727 6.280200 
1 1 1   20   20   13 o   42.413   2.5463  215.839   25.384  256.800   35.969  175.200   35.827   46.025   3.3322   37.707   4.0893 8.317280 5.274980 
1 1 1   20   20   14 o   36.549   2.4003  160.276   20.601  189.800   29.146  130.800   29.122   39.571   3.1450   32.576   3.8609 6.995129 4.979732 
1 1 1   20   20   15 o   28.747   2.1350   99.097   14.389  114.900   20.320   83.200   20.380   30.798   2.8256   26.007   3.3999 4.790779 4.420796 
1 1 1   20   20   16 o   55.885   3.2555  379.379   42.775  430.500   60.565  328.500   60.421   58.887   4.3870   50.969   5.0882 7.917980 6.718275 
1 1 1   20   20   17 o   31.014   2.1956  115.509   15.976  132.500   22.587   98.500   22.599   33.021   2.9270   28.267   3.4578 4.754181 4.530339 
1 1 1   20   20   18 o   50.059   2.7886  302.907   32.832  400.800   46.538  205.900   46.327   57.258   3.4582   40.196   4.9879 17.06135 6.069453 
1 1 1   20   20   19 o   89.829   5.3194  1032.38  112.331  1301.50  158.851  763.200  158.869   98.404   6.8795   71.256   9.6934 27.14812 11.88649 
1 1 1   20   20   20 o   23.835   1.9493   68.277   10.875   76.600   15.354   59.900   15.404   25.082   2.6317   22.029   3.0425 3.052790 4.022756 
1 1 1   20   20   21 o   49.215   2.6617  293.208   30.818  397.100   43.752  190.900   43.417   56.951   3.2670   38.543   4.8797 18.40817 5.872386 
1 1 1   20   20   22 o   23.757   1.8288   67.745   10.181  103.600   14.460   32.500   14.336   29.340   2.1010   15.908   3.8564 13.43169 4.391576 
1 1 1   20   20   23 o   37.551   2.5526  170.863   22.500  185.800   31.701  155.700   31.940   38.739   3.5033   35.241   3.9037 3.498631 5.245216 
1 1 1   20   20   24 o   27.458   2.0435   90.789   13.155  134.700   18.617   47.000   18.591   33.370   2.3782   19.029   4.2454 14.34147 4.866137 
1 1 1   20   20   25 o   40.481   2.3140  197.871   22.028  277.200   31.288  119.900   31.019   47.706   2.7896   30.544   4.4299 17.16171 5.235077 
1 1 1   20   20   26 o   21.364   1.7974   54.919   8.9832   72.100   12.753   38.000   12.656   24.384   2.2399   17.358   3.2057 7.025591 3.910746 
1 1 1   20   20   27 f   38.937   2.3723  183.848   21.708  238.200   30.786  130.100   30.614   44.015   2.9795   31.844   4.1717 12.17107 5.126441 
1 1 1   20   20   28 o   34.593   2.2090  145.018   17.951  181.900   25.484  108.700   25.289   38.455   2.8263   29.215   3.7524 9.239664 4.697693 
1 1 1   20   20   29 o   17.014   1.8860   35.195   7.4496   47.300   10.412   22.500   10.663   19.634   2.2888   13.178   3.4031 6.455942 4.101146 
1 1 1   20   20   30 o   11.383   2.6785   16.500   7.0797   0.0000   0.0000   16.500   7.0797  ?   ?    11.383   2.6785 0.000000 2.678541 
1 1 1   20   20   31 o   28.557   3.1842  103.300   21.106   0.0000   0.0000  103.300   21.106  ?   ?    28.557   3.1842 0.000000 3.184160 
1 1 1   20   20   32 o   7.1228   2.1959   6.2000   4.0599   0.0000   0.0000   6.2000   4.0599  ?   ?    7.1228   2.1959 0.000000 2.195901 
1 1 1   20   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   20   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21    0 o   17.598   2.6891   39.200   10.400   39.200   10.400   39.200   10.400   17.598   2.6891   17.598   2.6891 0.000000 0.000000 
1 1 1   20   21    1 o   31.325   2.2122  117.225   16.258  123.600   22.948  110.800   23.037   32.001   3.0747   30.236   3.2792 1.764698 4.495194 
1 1 1   20   21    2 o   14.911   1.6422   26.667   5.6862   23.900   7.9945   29.500   8.0893   13.956   2.5185   15.591   2.2633 -1.635293 3.386070 
1 1 1   20   21    3 o   41.454   2.6308  205.708   25.619  207.100   36.124  204.300   36.338   41.308   3.7441   41.010   3.7954 0.2974701 5.331317 
1 1 1   20   21    4 o   55.286   2.9079  366.342   37.830  293.500   53.156  441.100   53.851   48.883   4.6615   60.375   3.7966 -11.49136 6.011953 
1 1 1   20   21    5 o   61.193   3.3555  450.916   48.302  383.600   68.141  518.900   68.479   55.638   5.2485   65.175   4.4766 -9.536976 6.898345 
1 1 1   20   21    6 o   31.105   2.1470  115.590   15.673  105.200   22.102  126.100   22.228   29.443   3.2321   32.335   2.9434 -2.891895 4.371562 
1 1 1   20   21    7 o   62.719   3.6548  476.000   53.895  485.700   76.218  466.300   76.218   62.592   5.2040   61.254   5.3223 1.337086 7.443687 
1 1 1   20   21    8 o   38.539   2.5382  178.003   22.970  199.300   32.443  156.600   32.524   40.553   3.4199   35.765   3.9151 4.788143 5.198459 
1 1 1   20   21    9 o   21.690   1.8440   56.274   9.3550   62.700   13.257   49.900   13.203   22.787   2.5051   20.226   2.8428 2.560555 3.789091 
1 1 1   20   21   10 o   73.115   4.2487  654.048   73.039  769.200  103.271  538.800  103.314   78.307   5.6223   64.533   6.8861 13.77430 8.889831 
1 1 1   20   21   11 o   35.527   2.3494  151.252   19.598  166.400   27.759  136.200   27.672   37.043   3.2051   33.379   3.5660 3.664337 4.794669 
1 1 1   20   21   12 o   24.002   1.9713   69.008   11.074   76.800   15.603   61.100   15.719   25.188   2.6638   22.341   3.0601 2.847452 4.057066 
1 1 1   20   21   13 f   27.265   2.0489   89.056   13.095   90.100   18.466   88.000   18.572   27.226   2.9177   26.888   2.9749 0.3380508 4.166920 
1 1 1   20   21   14 o   39.311   2.5463  185.959   23.510  200.800   33.237  171.100   33.258   40.522   3.5082   37.256   3.8352 3.265881 5.197711 
1 1 1   20   21   15 o   37.795   2.3502  171.573   20.871  234.600   29.557  108.900   29.474   44.049   2.8570   29.411   4.3773 14.63752 5.227205 
1 1 1   20   21   16 o   55.087   3.1213  368.325   40.435  437.700   57.298  299.500   57.070   59.491   4.1039   48.592   5.0474 10.89890 6.505234 
1 1 1   20   21   17 f   11.889   1.6971   17.151   4.6294   19.100   6.4654   15.100   6.6316   12.443   2.2847   10.994   2.5961 1.449173 3.458234 
1 1 1   20   21   18 o   22.753   1.9368   62.216   10.307   68.700   14.503   55.600   14.650   23.749   2.6302   21.232   3.0061 2.517328 3.994339 
1 1 1   20   21   19 o   6.0202   1.7807   4.3829   2.7088   6.6000   3.6309   1.6000   4.0679   7.3221   2.0296   5.3013   2.1286 2.020802 2.941096 
1 1 1   20   21   20 o   82.437   4.8489  864.008   93.974  1043.60  132.915  684.500  132.885   88.321   6.4169   68.782   8.3530 19.53890 10.53325 
1 1 1   20   21   21 o   32.283   2.1772  125.467   16.500  168.900   23.371   82.300   23.299   37.306   2.6706   25.492   4.0024 11.81430 4.811538 
1 1 1   20   21   22 o   60.920   3.3291  455.569   47.709  593.200   67.614  319.100   67.328   68.799   4.1818   48.950   5.9469 19.84861 7.270012 
1 1 1   20   21   23 o   32.647   2.3904  128.958   18.300  159.700   25.793   97.800   25.967   36.086   3.0556   27.751   4.0848 8.334597 5.101217 
1 1 1   20   21   24 o   23.316   2.0255   65.604   11.041  102.300   15.572   28.500   15.658   29.078   2.2863   14.849   4.2499 14.22843 4.825870 
1 1 1   20   21   25 o   23.230   2.0304   65.162   11.026   92.200   15.532   37.700   15.653   27.548   2.4120   17.062   3.9613 10.48605 4.637800 
1 1 1   20   21   26 o   34.613   2.2374  144.919   18.189  193.100   25.772   97.100   25.676   39.736   2.7639   27.521   4.0740 12.21524 4.923086 
1 1 1   20   21   27 o   6.5015   1.6997   5.2408   2.6388   7.1000   3.7947   3.5000   3.6719   7.5603   2.0665   5.8381   2.0948 1.722263 2.942577 
1 1 1   20   21   28 o   49.202   2.5653  295.844   29.702  400.300   42.273  194.000   41.741   56.762   3.1665   38.293   4.7157 18.46834 5.680211 
1 1 1   20   21   29 o  ?   ?   -5.6000   0.6030   0.0000   0.0000  -5.6000   0.6030  ?   ?   ?   ?  0.000000      ? 
1 1 1   20   21   30 o   23.575   2.9875   70.000   16.258   0.0000   0.0000   70.000   16.258  ?   ?    23.575   2.9875 0.000000 2.987512 
1 1 1   20   21   31 o   14.165   2.6814   25.500   8.6408   0.0000   0.0000   25.500   8.6408  ?   ?    14.165   2.6814 0.000000 2.681419 
1 1 1   20   21   32 o   25.258   3.0290   81.000   17.705   0.0000   0.0000   81.000   17.705  ?   ?    25.258   3.0290 0.000000 3.028960 
1 1 1   20   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   21   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22    0 o  ?   ?   -6.3000   0.5169  -6.3000   0.5169  -6.3000   0.5169  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   20   22    1 o   35.590   2.3340  151.496   19.507  142.500   27.505  160.600   27.669   34.251   3.4475   36.435   3.2501 -2.183731 4.738019 
1 1 1   20   22    2 o   40.362   2.5399  195.105   24.085  180.900   34.008  209.400   34.114   38.524   3.7874   41.560   3.5089 -3.036602 5.163007 
1 1 1   20   22    3 o   37.109   2.4342  164.854   21.212  167.100   29.973  162.600   30.024   37.105   3.4609   36.581   3.5192 0.5237999 4.935815 
1 1 1   20   22    4 o   76.373   4.4140  713.200   79.265  761.900  112.040  664.400  112.155   77.711   6.1559   72.153   6.6578 5.558708 9.067642 
1 1 1   20   22    5 o   16.307   1.7067   31.893   6.4747   25.300   9.1515   38.500   9.1617   14.302   2.8099   17.849   2.2218 -3.546280 3.582217 
1 1 1   20   22    6 o   59.581   3.4879  429.428   48.857  407.000   69.061  451.900   69.129   57.187   5.1700   60.442   4.8853 -3.254921 7.113014 
1 1 1   20   22    7 o   43.178   2.6504  223.728   26.893  260.900   38.069  186.700   37.995   46.372   3.5024   38.945   4.1979 7.427063 5.467089 
1 1 1   20   22    8 o   20.036   1.8219   48.078   8.5255   55.100   12.033   41.000   12.081   21.351   2.4299   18.277   2.8957 3.073494 3.780133 
1 1 1   20   22    9 o   9.1104   1.7485   10.186   3.6248   14.000   5.0705   6.2000   5.1839   10.663   2.0885   7.4372   2.4990 3.225933 3.256810 
1 1 1   20   22   10 o   29.937   2.1554  107.355   15.135  105.400   21.435  109.300   21.374   29.428   3.1327   29.993   3.0607 -0.5650063 4.379659 
1 1 1   20   22   11 o   29.985   2.1438  107.744   15.079  106.700   21.266  108.800   21.386   29.608   3.0871   29.905   3.0721 -0.2971230 4.355257 
1 1 1   20   22   12 o   39.193   2.5132  184.722   23.136  226.100   32.731  143.400   32.709   43.131   3.2374   33.956   4.1668 9.174824 5.276594 
1 1 1   20   22   13 o   31.009   2.2188  115.439   16.140  134.700   22.802   96.100   22.848   33.314   2.9283   27.908   3.5473 5.406803 4.599771 
1 1 1   20   22   14 o   29.112   2.1210  101.700   14.480  101.700   20.474  101.700   20.482   28.867   3.0498   28.867   3.0510 0.3662109E-03 4.313871 
1 1 1   20   22   15 o   39.906   2.4277  191.590   22.768  237.200   32.291  146.500   32.106   44.162   3.1165   34.294   4.0424 9.868740 5.104222 
1 1 1   20   22   16 o   37.300   2.4658  167.711   21.596  172.900   30.508  162.500   30.576   37.499   3.4852   36.290   3.6162 1.209343 5.022277 
1 1 1   20   22   17 o   30.820   2.1730  114.228   15.713  150.500   22.229   78.000   22.215   35.238   2.6918   24.898   3.9071 10.33986 4.744605 
1 1 1   20   22   18 o   23.843   1.9646   68.346   10.963   74.100   15.443   62.500   15.565   24.645   2.6977   22.522   3.0015 2.123817 4.035641 
1 1 1   20   22   19 f   48.475   3.0649  286.610   34.902  369.700   49.326  203.300   49.391   54.589   3.8512   39.440   5.4488 15.14890 6.672439 
1 1 1   20   22   20 o   61.167   3.3048  458.429   47.557  665.200   67.357  252.900   67.155   73.193   3.9114   42.845   6.8697 30.34732 7.905169 
1 1 1   20   22   21 o   9.6423   1.7424   11.420   3.8212   11.800   5.2731   11.000   5.5452   9.7195   2.3282   9.3884   2.4685 0.3311224 3.393226 
1 1 1   20   22   22 o   5.0116   1.5885   2.9403   2.1091  -1.5000   2.9964   7.3000   2.9691   3.6612   1.6484   7.6792   1.6838 -4.018017 2.356312 
1 1 1   20   22   23 o   13.847   1.7274   23.224   5.5256   35.700   7.8070   10.700   7.8219   17.164   1.9614   9.4717   3.0651 7.692336 3.638946 
1 1 1   20   22   24 o   19.792   1.7700   47.144   8.1848   73.300   11.610   21.300   11.541   24.654   2.0118   12.926   3.6310 11.72802 4.151063 
1 1 1   20   22   25 o   37.361   2.2650  168.800   19.888  244.200   28.220   94.400   28.032   44.758   2.6824   26.873   4.5819 17.88500 5.309349 
1 1 1   20   22   26 o   23.226   1.8440   65.043   10.030   85.500   14.240   44.900   14.130   26.507   2.2977   18.811   3.3015 7.696281 4.022346 
1 1 1   20   22   27 o   45.427   2.5818  252.241   27.580  330.900   39.157  174.800   38.853   51.565   3.2322   36.443   4.6186 15.12243 5.637261 
1 1 1   20   22   28 o   23.789   2.8415   70.500   15.646   0.0000   0.0000   70.500   15.646  ?   ?    23.789   2.8415 0.000000 2.841523 
1 1 1   20   22   29 o   16.732   2.7080   35.200   10.334   0.0000   0.0000   35.200   10.334  ?   ?    16.732   2.7080 0.000000 2.708003 
1 1 1   20   22   30 o   8.5373   2.5487   9.1000   5.5301   0.0000   0.0000   9.1000   5.5301  ?   ?    8.5373   2.5487 0.000000 2.548732 
1 1 1   20   22   31 o   13.652   2.7059   23.800   8.4146   0.0000   0.0000   23.800   8.4146  ?   ?    13.652   2.7059 0.000000 2.705857 
1 1 1   20   22   32 o   11.237   2.6101   16.200   6.7933   0.0000   0.0000   16.200   6.7933  ?   ?    11.237   2.6101 0.000000 2.610082 
1 1 1   20   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   22   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23    0 o   72.385   6.0815  651.600  102.261  651.600  102.261  651.600  102.261   72.385   6.0815   72.385   6.0815 0.000000 0.000000 
1 1 1   20   23    1 o   12.277   1.5896   18.173   4.5002   26.100   6.4383   10.600   6.2926   14.701   1.8991   9.3180   2.7022 5.382606 3.302797 
1 1 1   20   23    2 o   47.566   2.8275  271.936   31.615  243.500   44.621  300.600   44.800   44.483   4.3018   49.653   3.8510 -5.170803 5.773707 
1 1 1   20   23    3 o   24.052   1.9415   69.215   10.933   83.900   15.453   54.500   15.469   26.389   2.5102   21.058   3.2127 5.330639 4.077068 
1 1 1   20   23    4 o   15.157   1.7112   27.617   6.0176   28.600   8.4398   26.600   8.5822   15.299   2.4164   14.713   2.5633 0.5860939 3.522706 
1 1 1   20   23    5 o   13.412   1.6816   21.684   5.2087   20.000   7.3319   23.400   7.4012   12.720   2.5301   13.818   2.3525 -1.098532 3.454849 
1 1 1   20   23    6 o   58.092   3.4366  409.048   46.932  408.400   66.279  409.700   66.467   57.262   4.9504   57.350   4.9568 -0.8782578E-01 7.005445 
1 1 1   20   23    7 o   49.896   2.9940  300.298   35.113  350.000   49.684  250.700   49.632   53.469   3.9633   44.845   4.7596 8.623550 6.193692 
1 1 1   20   23    8 o   36.254   2.4129  157.757   20.538  162.600   29.023  152.900   29.067   36.519   3.4049   35.363   3.5281 1.156204 4.903089 
1 1 1   20   23    9 o   54.213   3.2287  356.164   41.145  382.200   58.227  330.200   58.148   55.521   4.4794   51.372   4.8508 4.149197 6.602689 
1 1 1   20   23   10 o   16.185   1.6704   31.453   6.2922   38.700   8.9279   24.300   8.8695   17.883   2.1578   13.985   2.7837 3.897952 3.522053 
1 1 1   20   23   11 o   50.160   3.0550  304.750   36.014  304.700   50.861  304.800   51.001   49.500   4.3971   49.501   4.4094 -0.1415253E-02 6.227128 
1 1 1   20   23   12 o   13.607   1.7003   22.352   5.3442   23.000   7.5437   21.700   7.5721   13.663   2.4271   13.244   2.5131 0.4185963 3.493790 
1 1 1   20   23   13 o   17.602   1.7113   37.195   7.0230   46.400   9.9621   28.100   9.9023   19.586   2.1916   15.026   2.8958 4.560111 3.631644 
1 1 1   20   23   14 o   53.028   3.2004  342.285   39.886  351.600   56.453  333.000   56.363   52.945   4.5599   51.429   4.6929 1.516502 6.543359 
1 1 1   20   23   15 o   29.287   2.1232  103.086   14.584   98.300   20.595  107.900   20.655   28.304   3.1340   29.719   2.9835 -1.415512 4.327053 
1 1 1   20   23   16 o   38.717   2.4945  180.917   22.684  219.200   32.094  142.700   32.067   42.331   3.2353   33.728   4.1113 8.602226 5.231636 
1 1 1   20   23   17 o   23.171   1.9582   64.575   10.614   87.700   14.986   41.300   15.035   26.921   2.3819   18.042   3.6542 8.879015 4.361944 
1 1 1   20   23   18 o   43.182   2.8833  226.790   29.231  273.100   41.210  179.900   41.468   46.945   3.7488   37.475   4.7962 9.470432 6.087406 
1 1 1   20   23   19 f   23.009   1.9194   63.664   10.333   66.400   14.577   60.900   14.650   23.300   2.6994   22.256   2.8533 1.043806 3.927821 
1 1 1   20   23   20 o   8.0827   1.7632   8.0911   3.2706   12.400   4.6037   3.7000   4.6474   10.007   2.0179   6.2982   2.3412 3.708450 3.090818 
1 1 1   20   23   21 o   24.438   2.0253   71.964   11.582   94.600   16.339   49.100   16.421   27.905   2.5063   19.669   3.6705 8.236294 4.444534 
1 1 1   20   23   22 o   44.783   2.7805  244.137   29.258  318.300   41.395  170.100   41.360   50.742   3.4757   36.154   4.9764 14.58734 6.070047 
1 1 1   20   23   23 o   51.597   2.8727  324.794   34.863  443.000   49.452  208.000   49.156   59.816   3.5165   39.661   5.3882 20.15591 6.434194 
1 1 1   20   23   24 f   8.5210   1.8075   9.0064   3.5241   11.300   4.8320   6.4000   5.1510   9.5066   2.1966   7.4617   2.4912 2.044849 3.321315 
1 1 1   20   23   25 o   10.534   1.7892   13.640   4.2913   18.500   5.9857   8.5000   6.1553   12.224   2.1524   8.4357   2.7179 3.787851 3.466950 
1 1 1   20   23   26 o   38.513   2.2915  180.106   20.745  234.400   29.516  127.100   29.164   43.615   2.8821   31.423   4.0228 12.19242 4.948658 
1 1 1   20   23   27 o   6.5586   2.1591   5.0000   3.8740   0.0000   0.0000   5.0000   3.8740  ?   ?    6.5586   2.1591 0.000000 2.159059 
1 1 1   20   23   28 o   14.841   2.5274   27.600   8.5397   0.0000   0.0000   27.600   8.5397  ?   ?    14.841   2.5274 0.000000 2.527351 
1 1 1   20   23   29 o   17.638   2.7964   39.300   11.258   0.0000   0.0000   39.300   11.258  ?   ?    17.638   2.7964 0.000000 2.796422 
1 1 1   20   23   30 o   19.617   2.8039   48.600   12.619   0.0000   0.0000   48.600   12.619  ?   ?    19.617   2.8039 0.000000 2.803874 
1 1 1   20   23   31 o   13.387   2.6804   22.900   8.1777   0.0000   0.0000   22.900   8.1777  ?   ?    13.387   2.6804 0.000000 2.680410 
1 1 1   20   23   32 o   35.359   3.6908  163.300   30.362   0.0000   0.0000  163.300   30.362  ?   ?    35.359   3.6908 0.000000 3.690782 
1 1 1   20   23   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   23   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24    0 o   6.6895   2.8060   7.5000   4.4522   7.5000   4.4522   7.5000   4.4522   6.6895   2.8060   6.6895   2.8060 0.000000 0.000000 
1 1 1   20   24    1 o   21.339   1.8409   54.528   9.1853   60.500   13.014   48.600   12.966   22.359   2.5080   19.937   2.8340 2.422007 3.784402 
1 1 1   20   24    2 o   47.477   2.8816  271.621   32.153  290.500   45.566  252.900   45.376   48.660   4.0011   45.249   4.2983 3.410717 5.872338 
1 1 1   20   24    3 f   55.156   3.2861  368.485   42.605  396.900   60.269  340.100   60.237   56.613   4.5467   52.156   4.9503 4.456917 6.721455 
1 1 1   20   24    4 o   26.997   2.0096   87.259   12.720   67.200   17.948  107.500   18.029   23.360   3.3495   29.856   2.5827 -6.496248 4.229595 
1 1 1   20   24    5 o   46.996   2.7868  266.056   30.788  226.800   43.407  305.800   43.676   42.759   4.3600   50.017   3.7246 -7.258011 5.734357 
1 1 1   20   24    6 o   44.652   2.7964  240.415   29.336  259.100   41.471  221.700   41.504   45.939   3.8587   42.316   4.2094 3.622452 5.710405 
1 1 1   20   24    7 o   69.882   4.0665  600.296   66.814  692.500   94.491  508.100   94.487   73.939   5.4504   62.391   6.5093 11.54862 8.489829 
1 1 1   20   24    8 o   29.382   2.0222  103.386   13.945  122.900   19.779   84.100   19.663   31.896   2.6501   26.180   3.2506 5.716068 4.194014 
1 1 1   20   24    9 o   28.679   2.0439   98.565   13.751   87.500   19.374  109.800   19.522   26.741   3.1271   30.096   2.7783 -3.354895 4.183035 
1 1 1   20   24   10 o   79.938   4.7090  798.277   88.495  844.700  125.047  751.700  125.255   80.082   6.6734   74.941   7.1654 5.140511 9.791686 
1 1 1   20   24   11 o   25.386   1.9858   77.314   11.809   88.500   16.691   66.100   16.711   27.013   2.6507   23.177   3.1337 3.835951 4.104450 
1 1 1   20   24   12 o   8.9102   1.7212   9.7631   3.4903   8.8000   4.8475   10.800   5.0297   8.4464   2.3465   9.3167   2.3001 -0.8703089 3.285744 
1 1 1   20   24   13 o   29.406   2.0379  103.758   14.063  137.200   19.931   70.600   19.847   33.700   2.5229   23.769   3.6529 9.930971 4.439442 
1 1 1   20   24   14 o   16.113   1.7098   31.250   6.4063   31.300   9.0346   31.200   9.0852   15.964   2.4769   15.933   2.4968 0.3095913E-01 3.517021 
1 1 1   20   24   15 o   23.350   1.9145   65.500   10.463   65.400   14.798   65.600   14.798   23.120   2.7653   23.157   2.7605 -0.3709984E-01 3.907322 
1 1 1   20   24   16 o   40.921   2.7233  203.008   26.165  241.100   36.926  164.600   37.079   44.211   3.5674   36.042   4.4512 8.169079 5.704374 
1 1 1   20   24   17 o   26.486   2.0805   84.442   12.907   93.500   18.163   75.200   18.347   27.667   2.8194   24.650   3.2295 3.016815 4.287097 
1 1 1   20   24   18 o   24.357   2.0267   71.434   11.551   91.600   16.282   51.000   16.389   27.462   2.5396   20.107   3.5832 7.354385 4.391894 
1 1 1   20   24   19 o   9.6596   1.7668   11.470   3.8815   10.200   5.2510   13.000   5.7632   9.0500   2.4130   10.195   2.4287 -1.144643 3.423612 
1 1 1   20   24   20 o   10.056   1.8025   12.427   4.1230   22.600   5.7683   1.8000   5.8955   13.639   1.8378   6.2109   2.5373 7.427839 3.132988 
1 1 1   20   24   21 o   32.845   2.2941  130.321   17.681  140.500   24.979  120.100   25.030   33.772   3.1694   31.074   3.4704 2.697577 4.699881 
1 1 1   20   24   22 o   31.308   2.1850  118.322   16.053  163.600   22.722   73.200   22.682   36.664   2.6421   23.853   4.1794 12.81163 4.944504 
1 1 1   20   24   23 f   6.4433   1.7843   5.1140   2.8077   6.0000   3.6928   3.9000   4.3224   7.0156   2.0801   6.2444   2.2684 0.7711592 3.077711 
1 1 1   20   24   24 o   23.167   1.9704   64.889   10.677   82.900   15.063   46.700   15.137   26.041   2.4795   19.132   3.4786 6.908314 4.271853 
1 1 1   20   24   25 o   26.793   1.7798   86.390   11.196  123.200   16.015   51.200   15.658   31.891   2.1390   20.034   3.4334 11.85655 4.045226 
1 1 1   20   24   26 o   22.208   2.7565   61.300   14.145   0.0000   0.0000   61.300   14.145  ?   ?    22.208   2.7565 0.000000 2.756548 
1 1 1   20   24   27 o   22.962   2.8148   65.800   14.943   0.0000   0.0000   65.800   14.943  ?   ?    22.962   2.8148 0.000000 2.814843 
1 1 1   20   24   28 o   5.5976   2.1556   2.6000   4.0212   0.0000   0.0000   2.6000   4.0212  ?   ?    5.5976   2.1556 0.000000 2.155639 
1 1 1   20   24   29 o   27.440   3.1906   95.800   20.288   0.0000   0.0000   95.800   20.288  ?   ?    27.440   3.1906 0.000000 3.190610 
1 1 1   20   24   30 f   18.355   2.7577   42.600   11.583   0.0000   0.0000   42.600   11.583  ?   ?    18.355   2.7577 0.000000 2.757699 
1 1 1   20   24   31 o   10.775   2.6036   14.900   6.5505   0.0000   0.0000   14.900   6.5505  ?   ?    10.775   2.6036 0.000000 2.603577 
1 1 1   20   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   24   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25    0 o   5.1839   2.5546   4.7000   3.7398   4.7000   3.7398   4.7000   3.7398   5.1839   2.5546   5.1839   2.5546 0.000000 0.000000 
1 1 1   20   25    1 o   20.060   1.8254   48.262   8.5522   45.500   12.120   51.000   12.069   19.283   2.7386   20.480   2.5510 -1.196609 3.742691 
1 1 1   20   25    2 o   51.985   3.0884  327.175   37.741  278.300   53.332  376.200   53.415   47.067   4.8689   55.235   4.1251 -8.167419 6.381408 
1 1 1   20   25    3 o   47.338   2.8228  270.392   31.410  241.900   44.298  299.200   44.543   44.138   4.3051   49.359   3.8522 -5.220989 5.776918 
1 1 1   20   25    4 f   47.236   2.9011  269.615   32.202  277.200   45.647  262.100   45.435   47.355   4.1232   45.984   4.2317 1.371071 5.908360 
1 1 1   20   25    5 o   51.098   3.0633  316.205   36.791  300.400   51.957  332.100   52.105   49.076   4.5347   51.753   4.3027 -2.676598 6.251138 
1 1 1   20   25    6 o   22.063   1.8086   58.303   9.3394   44.100   13.141   72.800   13.276   18.893   3.0494   24.568   2.3158 -5.675522 3.829020 
1 1 1   20   25    7 o   16.591   1.6879   33.061   6.5206   28.000   9.1428   38.300   9.3024   15.054   2.6697   17.759   2.2702 -2.704852 3.504425 
1 1 1   20   25    8 o   32.317   2.2376  125.445   16.971  121.500   23.985  129.400   24.015   31.500   3.2724   32.554   3.1641 -1.054485 4.551877 
1 1 1   20   25    9 o   61.794   3.6474  467.945   52.986  464.200   74.888  471.700   74.980   60.339   5.3100   60.861   5.2693 -0.5221405 7.480752 
1 1 1   20   25   10 o   18.189   1.7838   39.764   7.5629   39.200   10.832   40.300   10.564   17.871   2.6469   18.153   2.5335 -0.2817059 3.663934 
1 1 1   20   25   11 o   47.345   2.8847  271.709   32.097  310.400   45.415  233.100   45.368   50.110   3.8680   43.023   4.5340 7.087612 5.959742 
1 1 1   20   25   12 o   39.658   2.5780  189.968   24.011  205.300   33.936  174.600   33.977   40.831   3.5553   37.476   3.8964 3.354809 5.274669 
1 1 1   20   25   13 o   44.372   2.7837  238.644   29.019  284.100   41.042  193.200   41.037   47.998   3.6485   39.072   4.5319 8.925087 5.818055 
1 1 1   20   25   14 f   50.601   3.0748  311.932   36.566  335.400   51.732  288.500   51.693   51.752   4.2714   47.728   4.6455 4.024426 6.310752 
1 1 1   20   25   15 o   25.400   2.0138   77.583   11.979   78.700   16.704   76.400   17.189   25.361   2.8379   24.939   2.9777 0.4216328 4.113458 
1 1 1   20   25   16 o   39.662   2.6671  190.656   24.834  207.700   34.962  173.300   35.281   40.954   3.6536   37.166   4.0877 3.788902 5.482517 
1 1 1   20   25   17 o   17.928   1.7654   38.691   7.3767   47.200   10.438   30.200   10.427   19.703   2.2859   15.537   2.9498 4.165577 3.731844 
1 1 1   20   25   18 o   34.278   2.3922  141.984   19.242  167.000   27.166  116.800   27.257   36.892   3.1486   30.504   3.8713 6.387600 4.990026 
1 1 1   20   25   19 o   7.1205   1.6621   6.2831   2.7437   2.5000   3.5248   12.100   4.3707   5.3679   2.0299   9.8939   1.9401 -4.525969 2.807933 
1 1 1   20   25   20 o   28.951   2.1737  101.132   14.752  122.400   20.822   79.700   20.902   31.646   2.8158   25.190   3.6179 6.456390 4.584521 
1 1 1   20   25   21 o   39.209   2.5748  186.772   23.707  248.600   33.521  124.900   33.533   44.941   3.1792   30.982   4.7337 13.95885 5.702260 
1 1 1   20   25   22 o   42.006   2.7500  215.584   27.127  273.400   38.336  157.600   38.391   46.859   3.4895   34.695   4.8159 12.16437 5.947240 
1 1 1   20   25   23 o   24.059   1.9182   69.859   10.807   85.700   15.304   54.100   15.264   26.483   2.4759   20.729   3.2230 5.753500 4.064209 
1 1 1   20   25   24 o   6.6935   1.7461   5.5634   2.7888   16.000   5.2223   1.4000   3.2985   11.371   2.0189   4.8032   1.9209 6.567687 2.786721 
1 1 1   20   25   25 o   29.614   3.1515  109.800   21.700   0.0000   0.0000  109.800   21.700  ?   ?    29.614   3.1515 0.000000 3.151542 
1 1 1   20   25   26 o   18.751   2.6132   43.800   11.256   0.0000   0.0000   43.800   11.256  ?   ?    18.751   2.6132 0.000000 2.613202 
1 1 1   20   25   27 o   15.902   2.5471   31.700   9.2418   0.0000   0.0000   31.700   9.2418  ?   ?    15.902   2.5471 0.000000 2.547087 
1 1 1   20   25   28 o   23.871   2.9090   71.800   16.059   0.0000   0.0000   71.800   16.059  ?   ?    23.871   2.9090 0.000000 2.909005 
1 1 1   20   25   29 o   24.382   3.0258   75.400   17.046   0.0000   0.0000   75.400   17.046  ?   ?    24.382   3.0258 0.000000 3.025762 
1 1 1   20   25   30 o   18.375   2.7962   42.800   11.750   0.0000   0.0000   42.800   11.750  ?   ?    18.375   2.7962 0.000000 2.796248 
1 1 1   20   25   31 o   12.388   2.7393   19.800   7.8002   0.0000   0.0000   19.800   7.8002  ?   ?    12.388   2.7393 0.000000 2.739316 
1 1 1   20   25   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   25   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26    0 o   21.957   2.8248   60.200   13.980   60.200   13.980   60.200   13.980   21.957   2.8248   21.957   2.8248 0.000000 0.000000 
1 1 1   20   26    1 o   48.446   2.8660  283.685   32.641  238.700   46.026  329.200   46.296   43.667   4.5295   51.751   3.8154 -8.084076 5.922294 
1 1 1   20   26    2 o   54.120   3.2403  356.035   41.220  361.600   58.371  350.500   58.217   53.746   4.6449   52.866   4.7129 0.8802338 6.617088 
1 1 1   20   26    3 o   56.211   3.2192  383.937   42.551  427.200   60.397  341.300   59.959   58.601   4.3967   51.998   4.9426 6.602844 6.615144 
1 1 1   20   26    4 o   26.477   2.0422   84.130   12.670   89.700   17.869   78.500   17.966   27.150   2.8288   25.312   3.0686 1.838118 4.173507 
1 1 1   20   26    5 o   29.524   2.1372  104.653   14.799  107.500   20.918  101.800   20.939   29.682   3.0269   28.846   3.1240 0.8358898 4.349874 
1 1 1   20   26    6 f   50.030   3.0843  303.983   36.260  300.100   51.503  307.800   51.058   48.950   4.5063   49.643   4.4012 -0.6927795 6.298994 
1 1 1   20   26    7 o   33.135   2.2818  132.053   17.745  133.400   25.069  130.700   25.120   32.995   3.2602   32.640   3.3047 0.3548508 4.642188 
1 1 1   20   26    8 o   32.131   2.1785  124.028   16.431  112.600   23.165  135.600   23.310   30.272   3.2938   33.358   2.9910 -3.086317 4.449210 
1 1 1   20   26    9 o   32.205   2.2364  124.746   16.902  140.800   23.906  108.700   23.900   33.981   3.0104   29.662   3.4782 4.319010 4.600006 
1 1 1   20   26   10 o   47.333   2.9085  271.875   32.351  259.300   45.706  284.500   45.797   45.500   4.3053   47.801   4.0968 -2.301517 5.943019 
1 1 1   20   26   11 o   21.840   1.8637   57.292   9.5196   56.100   13.419   58.500   13.507   21.408   2.7155   21.880   2.6697 -0.4718704 3.808076 
1 1 1   20   26   12 o   53.336   3.2386  347.515   40.597  369.000   57.393  326.000   57.432   54.117   4.5329   50.608   4.8659 3.509525 6.650086 
1 1 1   20   26   13 o   56.238   3.3921  387.669   44.835  397.500   63.347  377.800   63.467   55.904   4.8466   54.370   4.9994 1.534210 6.963025 
1 1 1   20   26   14 o   63.331   3.7154  495.134   55.319  475.900   78.000  514.600   78.467   60.532   5.5175   63.167   5.3099 -2.634808 7.657513 
1 1 1   20   26   15 o   41.561   2.7181  209.553   26.529  224.600   37.390  194.300   37.646   42.524   3.7624   39.343   4.1130 3.181511 5.574275 
1 1 1   20   26   16 o   27.011   2.0654   87.814   13.074   88.800   18.364   86.800   18.617   26.907   2.9381   26.571   3.0209 0.3362961 4.214049 
1 1 1   20   26   17 o   51.259   3.1729  321.703   38.216  352.000   53.999  291.300   54.093   52.803   4.3701   47.632   4.8781 5.171303 6.549321 
1 1 1   20   26   18 o   5.6834   1.7169   3.8792   2.4985   7.1000   3.4917   0.5000   3.5766   7.5639   1.9442   4.6564   1.9461 2.907519 2.750904 
1 1 1   20   26   19 o   27.429   2.0105   90.567   12.931  114.000   18.340   67.400   18.236   30.618   2.5601   23.192   3.4336 7.425831 4.282934 
1 1 1   20   26   20 o   20.321   1.8583   49.795   8.8181   54.700   12.414   44.800   12.528   21.124   2.5396   18.984   2.8855 2.140064 3.843893 
1 1 1   20   26   21 o   24.405   1.9382   71.846   11.077   85.300   15.697   58.500   15.634   26.412   2.5486   21.618   3.1556 4.793373 4.056234 
1 1 1   20   26   22 o   54.020   3.2515  361.723   41.283  458.900   58.421  264.800   58.345   59.994   4.1493   44.049   5.7461 15.94540 7.087592 
1 1 1   20   26   23 o   24.444   1.8998   72.183   10.880   94.100   15.519   51.000   15.257   27.758   2.3911   20.025   3.3446 7.733017 4.111368 
1 1 1   20   26   24 o   8.2801   2.4258   8.5000   5.0480   0.0000   0.0000   8.5000   5.0480  ?   ?    8.2801   2.4258 0.000000 2.425751 
1 1 1   20   26   25 o   9.6165   2.4101   11.700   5.4621   0.0000   0.0000   11.700   5.4621  ?   ?    9.6165   2.4101 0.000000 2.410131 
1 1 1   20   26   26 f   9.9664   2.4118   12.600   5.6147   0.0000   0.0000   12.600   5.6147  ?   ?    9.9664   2.4118 0.000000 2.411809 
1 1 1   20   26   27 o   5.2204   1.9344   2.6000   3.1678   0.0000   0.0000   2.6000   3.1678  ?   ?    5.2204   1.9344 0.000000 1.934404 
1 1 1   20   26   28 o   17.393   2.8800   38.500   11.415   0.0000   0.0000   38.500   11.415  ?   ?    17.393   2.8800 0.000000 2.880043 
1 1 1   20   26   29 o   24.620   3.0457   77.000   17.329   0.0000   0.0000   77.000   17.329  ?   ?    24.620   3.0457 0.000000 3.045655 
1 1 1   20   26   30 o   22.383   2.9847   63.900   15.383   0.0000   0.0000   63.900   15.383  ?   ?    22.383   2.9847 0.000000 2.984723 
1 1 1   20   26   31 o   15.269   2.6199   29.700   9.1063   0.0000   0.0000   29.700   9.1063  ?   ?    15.269   2.6199 0.000000 2.619923 
1 1 1   20   26   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   26   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27    0 o   12.615   2.8602   21.600   7.4290   21.600   7.4290   21.600   7.4290   12.615   2.8602   12.615   2.8602 0.000000 0.000000 
1 1 1   20   27    1 o   41.152   2.5802  204.295   24.946  181.500   35.199  227.300   35.360   38.229   3.9565   43.037   3.5101 -4.807796 5.289073 
1 1 1   20   27    2 o   77.604   4.4834  751.843   81.810  805.800  115.811  698.100  115.581   78.314   6.3163   72.224   6.8595 6.090240 9.324551 
1 1 1   20   27    3 o   32.479   2.2484  126.838   17.138  131.700   24.267  122.000   24.206   32.812   3.1716   31.524   3.3006 1.287525 4.577487 
1 1 1   20   27    4 o   21.825   1.9096   57.222   9.7423   48.300   13.834   66.000   13.722   19.758   3.0643   23.308   2.5340 -3.550055 3.976308 
1 1 1   20   27    5 o   21.747   1.8773   56.791   9.5459   52.900   13.484   60.700   13.516   20.761   2.8238   22.319   2.6140 -1.558723 3.847967 
1 1 1   20   27    6 f   22.453   1.8758   60.516   9.8543   55.000   13.894   66.100   13.979   21.165   2.8527   23.308   2.5832 -2.143620 3.848465 
1 1 1   20   27    7 o   4.7551   1.6476   2.4196   2.2566   4.6000   3.1115   0.0000   3.2777   6.2186   1.9233   4.3110   1.8354 1.907668 2.658478 
1 1 1   20   27    8 o   26.078   1.9929   81.676   12.179   85.800   17.274   77.600   17.175   26.520   2.8007   25.164   2.9461 1.356251 4.064933 
1 1 1   20   27    9 o   47.994   2.7318  278.747   30.832  224.600   43.482  333.500   43.725   42.228   4.4264   52.070   3.5779 -9.841160 5.691615 
1 1 1   20   27   10 o   9.0858   1.7041   10.144   3.5219   9.4000   4.9622   10.900   4.9994   8.7065   2.3562   9.3529   2.2835 -0.6464167 3.281180 
1 1 1   20   27   11 o   22.481   1.9416   60.783   10.206   74.200   14.389   47.200   14.478   24.718   2.4996   19.444   3.2694 5.274742 4.115422 
1 1 1   20   27   12 o   17.189   1.8032   35.604   7.2100   42.300   10.119   28.700   10.275   18.631   2.3526   15.140   2.9802 3.490446 3.796882 
1 1 1   20   27   13 o   40.655   2.4912  199.659   23.800  173.700   33.473  226.200   33.847   37.323   3.8535   42.892   3.3689 -5.569324 5.118488 
1 1 1   20   27   14 o   46.694   2.9874  265.694   32.766  295.600   46.227  235.500   46.450   48.636   4.0623   43.013   4.6471 5.622723 6.172319 
1 1 1   20   27   15 o   15.555   1.9010   29.318   6.8372   36.700   9.4199   21.100   9.9395   17.322   2.3647   12.901   3.2611 4.421065 4.028217 
1 1 1   20   27   16 o   29.102   2.1942  102.157   14.968  116.300   21.089   87.800   21.247   30.816   2.9335   26.540   3.4736 4.275513 4.546611 
1 1 1   20   27   17 o   38.825   2.5600  182.726   23.338  194.600   32.970  170.800   33.041   39.600   3.5640   36.936   3.8447 2.664719 5.242437 
1 1 1   20   27   18 o   33.171   2.2585  132.927   17.585  162.900   24.963  103.400   24.776   36.469   2.9233   28.656   3.7516 7.813267 4.756115 
1 1 1   20   27   19 o   37.343   2.5102  169.447   22.006  177.100   31.027  161.700   31.217   37.672   3.5289   35.866   3.7410 1.805920 5.142761 
1 1 1   20   27   20 f   8.7449   1.7702   9.4687   3.5300   11.900   4.8799   6.8000   5.1126   9.7574   2.1736   7.6080   2.4792 2.149417 3.297102 
1 1 1   20   27   21 o   36.695   2.3924  163.719   20.617  200.100   29.209  127.600   29.104   40.201   3.1009   31.563   3.9942 8.637383 5.056638 
1 1 1   20   27   22 o   19.195   2.6958   45.800   11.882   0.0000   0.0000   45.800   11.882  ?   ?    19.195   2.6958 0.000000 2.695752 
1 1 1   20   27   23 o   19.500   2.7352   47.400   12.248   0.0000   0.0000   47.400   12.248  ?   ?    19.500   2.7352 0.000000 2.735164 
1 1 1   20   27   24 o   3.0536   1.3497  -0.6000   1.9143   0.0000   0.0000  -0.6000   1.9143  ?   ?    3.0536   1.3497 0.000000 1.349662 
1 1 1   20   27   25 o   18.588   2.6346   43.200   11.240   0.0000   0.0000   43.200   11.240  ?   ?    18.588   2.6346 0.000000 2.634568 
1 1 1   20   27   26 o   17.727   2.6050   39.400   10.579   0.0000   0.0000   39.400   10.579  ?   ?    17.727   2.6050 0.000000 2.605011 
1 1 1   20   27   27 o   26.241   3.1103   87.400   18.898   0.0000   0.0000   87.400   18.898  ?   ?    26.241   3.1103 0.000000 3.110292 
1 1 1   20   27   28 o   39.064   3.9222  200.200   35.691   0.0000   0.0000  200.200   35.691  ?   ?    39.064   3.9222 0.000000 3.922245 
1 1 1   20   27   29 o   20.005   2.8706   50.900   13.172   0.0000   0.0000   50.900   13.172  ?   ?    20.005   2.8706 0.000000 2.870618 
1 1 1   20   27   30 o   25.241   3.0810   81.700   17.983   0.0000   0.0000   81.700   17.983  ?   ?    25.241   3.0810 0.000000 3.081036 
1 1 1   20   27   31 o   2.7101   1.3467  -8.1000   3.3399   0.0000   0.0000  -8.1000   3.3399  ?   ?    2.7101   1.3467 0.000000 1.346721 
1 1 1   20   27   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   27   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28    0 o   20.540   2.7923   53.000   12.836   53.000   12.836   53.000   12.836   20.540   2.7923   20.540   2.7923 0.000000 0.000000 
1 1 1   20   28    1 o   6.1656   1.7741   4.6290   2.7219   3.0000   3.9515   6.1000   3.7549   5.7636   2.1556   7.0900   2.0964 -1.326408 3.006863 
1 1 1   20   28    2 o   43.247   2.7276  226.344   27.712  236.800   39.202  215.900   39.180   43.729   3.8352   41.637   4.0355 2.091339 5.567247 
1 1 1   20   28    3 o   10.706   1.7968   14.021   4.3815   17.000   6.1752   11.000   6.2178   11.713   2.3148   9.4310   2.6709 2.281607 3.534374 
1 1 1   20   28    4 o   9.3987   1.8439   10.889   3.9462   3.9000   5.6384   17.600   5.5248   6.7413   2.5630   11.979   2.0253 -5.238097 3.266598 
1 1 1   20   28    5 o   4.3668   1.5039   2.0552   1.8787   2.2000   2.6121   1.9000   2.7040   4.8028   1.7605   4.7045   1.7782 0.9826708E-01 2.502257 
1 1 1   20   28    6 o   43.826   2.7037  232.439   27.844  207.400   39.291  257.700   39.465   40.725   4.1434   45.688   3.6895 -4.963142 5.548035 
1 1 1   20   28    7 o   28.497   2.1363   97.697   14.271   92.200   20.271  103.100   20.095   27.366   3.1971   29.034   2.9729 -1.668119 4.365721 
1 1 1   20   28    8 o   98.945   5.5266  1263.80  128.610  1018.10  181.585  1511.10  182.179   82.288   9.5210  104.743   7.4136 -22.45508 12.06688 
1 1 1   20   28    9 f   7.5424   1.6876   7.0391   2.9306   6.3000   4.1145   7.8000   4.1750   7.2367   2.2071   7.9437   2.1660 -0.7070589 3.092410 
1 1 1   20   28   10 o   28.199   2.1019   95.673   13.896   98.900   19.584   92.400   19.720   28.418   2.9619   27.411   3.1011 1.006683 4.288298 
1 1 1   20   28   11 o   37.899   2.4456  173.419   21.769  161.000   30.688  186.000   30.886   36.021   3.6586   38.864   3.3997 -2.843071 4.994328 
1 1 1   20   28   12 o   19.100   1.8699   43.949   8.3253   48.800   11.603   38.800   11.953   19.984   2.5144   17.662   2.9714 2.322018 3.892458 
1 1 1   20   28   13 o   8.5799   1.8879   9.1297   3.7211   14.400   5.0746   3.0000   5.4728   10.795   2.0660   6.3853   2.4991 4.409638 3.242535 
1 1 1   20   28   14 o   35.006   2.4085  148.115   19.787  157.500   27.888  138.600   28.080   35.728   3.3445   33.375   3.6211 2.353657 4.929267 
1 1 1   20   28   15 o   13.074   1.6659   20.690   5.0259   16.100   6.9242   25.800   7.3066   11.325   2.6383   14.507   2.2021 -3.182553 3.436493 
1 1 1   20   28   16 o   65.511   3.9691  537.051   61.110  548.100   86.034  525.800   86.815   64.275   5.7285   62.700   5.9342 1.574982 8.248081 
1 1 1   20   28   17 o   19.145   1.9212   44.308   8.5684   58.600   12.012   29.500   12.226   21.928   2.3567   15.176   3.4853 6.752481 4.207298 
1 1 1   20   28   18 o   30.179   2.2323  110.288   15.795  138.300   22.303   82.100   22.373   33.567   2.8404   25.375   3.8551 8.192003 4.788448 
1 1 1   20   28   19 o   10.832   1.7510   14.379   4.3261   14.100   5.9147   14.700   6.3438   10.593   2.4179   10.801   2.5314 -0.2087259 3.500587 
1 1 1   20   28   20 o   15.247   1.6884   28.137   5.9769   37.600   8.8493   20.200   8.1048   17.526   2.1858   12.622   2.7932 4.903903 3.546817 
1 1 1   20   28   21 o   17.573   2.6120   38.400   10.509   0.0000   0.0000   38.400   10.509  ?   ?    17.573   2.6120 0.000000 2.611995 
1 1 1   20   28   22 o   8.8780   2.4324   9.9000   5.2503   0.0000   0.0000   9.9000   5.2503  ?   ?    8.8780   2.4324 0.000000 2.432435 
1 1 1   20   28   23 o   14.198   2.6015   25.400   8.4001   0.0000   0.0000   25.400   8.4001  ?   ?    14.198   2.6015 0.000000 2.601468 
1 1 1   20   28   24 o   30.540   3.2419  118.100   23.022   0.0000   0.0000  118.100   23.022  ?   ?    30.540   3.2419 0.000000 3.241892 
1 1 1   20   28   25 o   22.211   2.7927   61.900   14.323   0.0000   0.0000   61.900   14.323  ?   ?    22.211   2.7927 0.000000 2.792716 
1 1 1   20   28   26 o   31.445   3.4029  126.600   24.865   0.0000   0.0000  126.600   24.865  ?   ?    31.445   3.4029 0.000000 3.402937 
1 1 1   20   28   27 o   26.479   3.1543   89.300   19.335   0.0000   0.0000   89.300   19.335  ?   ?    26.479   3.1543 0.000000 3.154341 
1 1 1   20   28   28 o   31.318   3.4079  126.600   24.795   0.0000   0.0000  126.600   24.795  ?   ?    31.318   3.4079 0.000000 3.407870 
1 1 1   20   28   29 o   18.036   2.7465   41.400   11.328   0.0000   0.0000   41.400   11.328  ?   ?    18.036   2.7465 0.000000 2.746507 
1 1 1   20   28   30 o   24.306   3.0778   76.500   17.269   0.0000   0.0000   76.500   17.269  ?   ?    24.306   3.0778 0.000000 3.077788 
1 1 1   20   28   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   28   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29    0 o   7.8945   3.0298   10.100   5.3403   10.100   5.3403   10.100   5.3403   7.8945   3.0298   7.8945   3.0298 0.000000 0.000000 
1 1 1   20   29    1 o   32.135   2.2441  124.301   16.922  129.700   23.928  118.900   23.934   32.533   3.1543   31.079   3.3123 1.454273 4.573948 
1 1 1   20   29    2 o   37.237   2.4197  167.198   21.161  134.900   29.879  199.700   29.973   32.863   3.9281   40.422   3.1655 -7.558846 5.044831 
1 1 1   20   29    3 o   37.752   2.4871  172.049   22.047  171.700   31.126  172.400   31.233   37.283   3.5795   37.357   3.5847 -0.7417297E-01 5.065851 
1 1 1   20   29    4 o   26.390   2.0315   83.712   12.562   86.200   17.722   81.200   17.811   26.553   2.8722   25.726   2.9874 0.8261280 4.144191 
1 1 1   20   29    5 o   27.063   2.0706   88.080   13.132   77.500   18.598   98.600   18.545   25.047   3.2189   28.438   2.7979 -3.390795 4.264966 
1 1 1   20   29    6 o   67.744   4.0508  570.626   64.502  509.200   91.276  631.900   91.163   61.783   6.3466   69.761   5.5808 -7.977951 8.451361 
1 1 1   20   29    7 o   47.541   2.8079  274.184   31.382  223.800   44.265  325.100   44.498   42.038   4.5309   51.292   3.6987 -9.254555 5.848886 
1 1 1   20   29    8 o   69.822   4.1250  607.445   67.709  613.100   95.796  601.800   95.713   68.196   6.0102   67.492   6.0706 0.7045135 8.542500 
1 1 1   20   29    9 o   61.638   3.6774  468.909   53.280  458.400   75.381  479.400   75.317   59.458   5.4289   60.952   5.2852 -1.494171 7.576691 
1 1 1   20   29   10 o   34.037   2.3226  139.751   18.556  140.000   26.218  139.500   26.268   33.693   3.3393   33.627   3.3528 0.6641769E-01 4.731995 
1 1 1   20   29   11 o   41.686   2.7487  211.046   26.906  228.000   37.889  193.800   38.214   42.814   3.7867   39.227   4.1903 3.587250 5.647812 
1 1 1   20   29   12 o   8.0129   1.7821   7.9566   3.2849   10.700   4.5611   5.0000   4.7349   9.2703   2.1285   6.8218   2.3853 2.448487 3.196924 
1 1 1   20   29   13 o   15.374   1.7245   28.531   6.1526   25.200   8.6143   32.000   8.7906   14.222   2.6629   16.146   2.3768 -1.923610 3.569324 
1 1 1   20   29   14 o   14.276   1.7298   24.665   5.7123   24.200   7.8084   25.200   8.3785   13.974   2.4561   14.233   2.5883 -0.2594776 3.568100 
1 1 1   20   29   15 o   33.230   2.3658  133.770   18.443  163.000   26.029  104.300   26.136   36.402   3.0564   28.657   3.9688 7.745052 5.009326 
1 1 1   20   29   16 o   43.459   2.8340  231.074   28.924  252.800   40.789  209.100   41.022   44.787   3.8956   40.378   4.3722 4.408489 5.855911 
1 1 1   20   29   17 o   24.777   2.0276   74.195   11.759   78.200   16.439   70.000   16.826   25.181   2.8128   23.709   3.0781 1.472055 4.169738 
1 1 1   20   29   18 o   27.970   2.1471   94.794   14.073  114.100   19.854   75.300   19.950   30.444   2.7928   24.352   3.5758 6.091879 4.537213 
1 1 1   20   29   19 o   47.543   2.8589  278.057   31.947  306.600   45.540  250.400   44.828   49.044   3.9663   43.946   4.3781 5.097179 5.907549 
1 1 1   20   29   20 o   34.672   3.5193  151.900   28.414   0.0000   0.0000  151.900   28.414  ?   ?    34.672   3.5193 0.000000 3.519293 
1 1 1   20   29   21 o   24.985   2.9595   78.100   17.121   0.0000   0.0000   78.100   17.121  ?   ?    24.985   2.9595 0.000000 2.959543 
1 1 1   20   29   22 o   10.118   2.5141   13.000   5.9803   0.0000   0.0000   13.000   5.9803  ?   ?    10.118   2.5141 0.000000 2.514109 
1 1 1   20   29   23 o   44.696   4.3392  264.300   45.220   0.0000   0.0000  264.300   45.220  ?   ?    44.696   4.3392 0.000000 4.339159 
1 1 1   20   29   24 o   19.797   2.6832   49.100   12.220   0.0000   0.0000   49.100   12.220  ?   ?    19.797   2.6832 0.000000 2.683157 
1 1 1   20   29   25 o   17.949   2.6091   40.400   10.735   0.0000   0.0000   40.400   10.735  ?   ?    17.949   2.6091 0.000000 2.609134 
1 1 1   20   29   26 o   12.466   2.9018   20.100   8.3823   0.0000   0.0000   20.100   8.3823  ?   ?    12.466   2.9018 0.000000 2.901838 
1 1 1   20   29   27 o   26.300   3.1094   88.300   18.937   0.0000   0.0000   88.300   18.937  ?   ?    26.300   3.1094 0.000000 3.109402 
1 1 1   20   29   28 o   13.218   2.7161   22.500   8.1939   0.0000   0.0000   22.500   8.1939  ?   ?    13.218   2.7161 0.000000 2.716112 
1 1 1   20   29   29 o   21.288   2.9929   58.600   14.629   0.0000   0.0000   58.600   14.629  ?   ?    21.288   2.9929 0.000000 2.992859 
1 1 1   20   29   30 o   16.949   2.7941   37.400   10.793   0.0000   0.0000   37.400   10.793  ?   ?    16.949   2.7941 0.000000 2.794096 
1 1 1   20   29   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   29   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30    0 o   6.6925   2.7829   7.5000   4.3857   7.5000   4.3857   7.5000   4.3857   6.6925   2.7829   6.6925   2.7829 0.000000 0.000000 
1 1 1   20   30    1 o   9.9396   1.7488   12.111   3.9547   7.5000   5.6307   16.600   5.5555   8.0084   2.6014   11.607   2.1045 -3.598413 3.346019 
1 1 1   20   30    2 o   15.776   1.7724   30.027   6.4883   38.500   9.1350   21.400   9.2172   17.793   2.2227   13.028   3.0499 4.764209 3.773899 
1 1 1   20   30    3 o   32.911   2.2819  130.507   17.624  136.500   24.910  124.500   24.938   33.344   3.2032   31.764   3.3765 1.579884 4.654177 
1 1 1   20   30    4 o   29.206   2.0850  102.559   14.285  114.300   20.281   91.000   20.124   30.615   2.8377   27.168   3.1981 3.446836 4.275509 
1 1 1   20   30    5 o   14.035   1.7439   23.826   5.6547   21.800   8.1574   25.700   7.8456   13.209   2.7062   14.446   2.3830 -1.236697 3.605880 
1 1 1   20   30    6 o   15.000   1.7246   27.157   5.9973   22.600   8.4883   31.700   8.4748   13.440   2.7667   16.099   2.2942 -2.658774 3.594163 
1 1 1   20   30    7 o   32.663   2.3186  128.736   17.767  115.500   25.210  141.800   25.045   30.481   3.5701   33.987   3.1567 -3.505709 4.765514 
1 1 1   20   30    8 o   29.891   2.1516  107.584   15.085   84.800   21.325  130.400   21.341   26.065   3.5577   32.717   2.7889 -6.651928 4.520534 
1 1 1   20   30    9 o   44.383   2.8795  239.768   30.015  216.200   42.600  263.000   42.297   41.297   4.4382   45.907   3.9400 -4.610550 5.934705 
1 1 1   20   30   10 f   15.831   1.7885   30.275   6.5684   35.100   9.2651   25.400   9.3134   16.925   2.3844   14.233   2.8702 2.692109 3.731391 
1 1 1   20   30   11 o   9.6144   1.8116   11.390   3.9620   22.400   5.5441  -0.1000   5.6639   13.589   1.7697   5.6122   2.4016 7.977192 2.983179 
1 1 1   20   30   12 o   29.762   2.2043  106.983   15.381  113.600   21.619  100.200   21.889   30.369   3.0562   28.395   3.3277 1.973858 4.518138 
1 1 1   20   30   13 o   35.702   2.3662  154.354   19.835  143.200   27.872  165.800   28.234   33.865   3.5376   36.585   3.3039 -2.719643 4.840487 
1 1 1   20   30   14 o   49.251   3.1442  298.767   36.376  324.300   51.276  272.900   51.611   50.389   4.3521   45.789   4.8470 4.599827 6.514127 
1 1 1   20   30   15 o   53.255   3.1848  350.103   39.867  326.800   56.204  373.700   56.558   50.082   4.8118   53.903   4.4841 -3.820724 6.577291 
1 1 1   20   30   16 o   20.049   1.8786   48.600   8.7900   45.600   12.235   51.800   12.636   19.147   2.7880   20.466   2.6790 -1.319450 3.866508 
1 1 1   20   30   17 o   33.089   2.3232  133.100   18.037  142.400   25.508  123.800   25.508   33.787   3.2368   31.340   3.5069 2.446560 4.772360 
1 1 1   20   30   18 o   22.956   2.8865   65.600   15.301   0.0000   0.0000   65.600   15.301  ?   ?    22.956   2.8865 0.000000 2.886486 
1 1 1   20   30   19 o   30.491   3.2552  116.900   23.075   0.0000   0.0000  116.900   23.075  ?   ?    30.491   3.2552 0.000000 3.255187 
1 1 1   20   30   20 o   18.018   2.6778   40.600   11.046   0.0000   0.0000   40.600   11.046  ?   ?    18.018   2.6778 0.000000 2.677796 
1 1 1   20   30   21 o   3.1526   1.4673  -2.4000   2.6536   0.0000   0.0000  -2.4000   2.6536  ?   ?    3.1526   1.4673 0.000000 1.467316 
1 1 1   20   30   22 o   30.588   3.3150  118.900   23.561   0.0000   0.0000  118.900   23.561  ?   ?    30.588   3.3150 0.000000 3.314993 
1 1 1   20   30   23 o   21.807   2.7620   59.600   13.904   0.0000   0.0000   59.600   13.904  ?   ?    21.807   2.7620 0.000000 2.762008 
1 1 1   20   30   24 f   15.216   2.5212   29.100   8.7413   0.0000   0.0000   29.100   8.7413  ?   ?    15.216   2.5212 0.000000 2.521162 
1 1 1   20   30   25 o   20.308   2.7628   52.000   12.905   0.0000   0.0000   52.000   12.905  ?   ?    20.308   2.7628 0.000000 2.762766 
1 1 1   20   30   26 o   12.220   2.6918   19.200   7.5577   0.0000   0.0000   19.200   7.5577  ?   ?    12.220   2.6918 0.000000 2.691848 
1 1 1   20   30   27 o   11.636   2.7916   17.600   7.5722   0.0000   0.0000   17.600   7.5722  ?   ?    11.636   2.7916 0.000000 2.791646 
1 1 1   20   30   28 o   6.9769   2.3208   5.8000   4.4720   0.0000   0.0000   5.8000   4.4720  ?   ?    6.9769   2.3208 0.000000 2.320841 
1 1 1   20   30   29 o   10.980   2.8287   16.000   7.3796   0.0000   0.0000   16.000   7.3796  ?   ?    10.980   2.8287 0.000000 2.828732 
1 1 1   20   30   30 o   3.7747   1.6596  -0.6000   2.8582   0.0000   0.0000  -0.6000   2.8582  ?   ?    3.7747   1.6596 0.000000 1.659580 
1 1 1   20   30   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   30   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31    0 o   21.812   2.8310   59.600   13.904   59.600   13.904   59.600   13.904   21.812   2.8310   21.812   2.8310 0.000000 0.000000 
1 1 1   20   31    1 o   52.202   3.1776  333.141   38.983  329.900   55.050  336.400   55.212   50.994   4.6219   51.524   4.5858 -0.5303841 6.510935 
1 1 1   20   31    2 o   24.153   1.9416   70.131   10.980   75.500   15.555   64.800   15.501   24.868   2.6920   22.947   2.9274 1.920649 3.976998 
1 1 1   20   31    3 o   20.089   1.8101   48.527   8.4945   55.500   12.033   41.600   11.993   21.351   2.4300   18.330   2.8645 3.020081 3.756391 
1 1 1   20   31    4 o   25.134   1.9899   75.993   11.714   88.400   16.604   63.700   16.527   26.940   2.6442   22.664   3.1753 4.276072 4.132058 
1 1 1   20   31    5 o   26.784   2.0528   86.352   12.884   90.700   18.217   82.000   18.226   27.210   2.8789   25.800   3.0506 1.409483 4.194556 
1 1 1   20   31    6 o   22.286   1.9101   59.775   9.9546   66.600   14.052   52.900   14.104   23.355   2.5917   20.670   2.9752 2.684866 3.945711 
1 1 1   20   31    7 o   42.077   2.6753  214.959   26.443  203.600   37.330  226.400   37.464   40.286   3.9760   42.627   3.7605 -2.341629 5.472607 
1 1 1   20   31    8 o   12.933   1.6904   20.276   5.0390   16.700   7.0551   24.000   7.1996   11.530   2.6472   13.964   2.2607 -2.433878 3.481149 
1 1 1   20   31    9 o   8.0575   1.8153   8.0595   3.3711  -1.4000   4.6333   18.700   4.9140   4.7487   2.0993   12.403   1.7244 -7.654489 2.716721 
1 1 1   20   31   10 o   27.630   2.1333   92.204   13.811   99.300   19.391   84.900   19.674   28.405   2.9333   26.117   3.2613 2.287859 4.386348 
1 1 1   20   31   11 o   28.973   1.9148  100.953   13.026   73.100   18.068  131.100   18.798   24.201   3.2432   32.857   2.4402 -8.655748 4.058701 
1 1 1   20   31   12 o   44.819   2.7098  244.986   28.544  211.700   40.180  278.900   40.558   40.723   4.2405   47.222   3.6660 -6.498470 5.605478 
1 1 1   20   31   13 o   31.693   2.2672  121.740   16.855  124.500   23.667  118.900   24.011   31.650   3.2112   30.856   3.3491 0.7931824 4.639856 
1 1 1   20   31   14 o   10.561   1.7961   13.713   4.3186   10.600   5.8647   17.400   6.3831   9.2077   2.5891   11.794   2.3741 -2.586436 3.512824 
1 1 1   20   31   15 o   27.842   2.0306   93.720   13.258   83.400   18.507  104.600   19.003   25.857   3.0925   29.126   2.7974 -3.269444 4.169963 
1 1 1   20   31   16 o   44.459   2.8491  243.288   29.753  244.800   42.251  241.800   41.906   43.625   4.1515   43.363   4.1430 0.2627678 5.865091 
1 1 1   20   31   17 o   42.799   4.1201  236.600   41.125   0.0000   0.0000  236.600   41.125  ?   ?    42.799   4.1201 0.000000 4.120105 
1 1 1   20   31   18 o   33.190   3.4310  139.500   26.501   0.0000   0.0000  139.500   26.501  ?   ?    33.190   3.4310 0.000000 3.430985 
1 1 1   20   31   19 o   21.861   2.8296   59.800   14.264   0.0000   0.0000   59.800   14.264  ?   ?    21.861   2.8296 0.000000 2.829587 
1 1 1   20   31   20 o   18.170   2.6930   41.400   11.205   0.0000   0.0000   41.400   11.205  ?   ?    18.170   2.6930 0.000000 2.693031 
1 1 1   20   31   21 o   14.448   2.6469   26.400   8.6977   0.0000   0.0000   26.400   8.6977  ?   ?    14.448   2.6469 0.000000 2.646860 
1 1 1   20   31   22 o   17.990   2.6505   40.600   10.922   0.0000   0.0000   40.600   10.922  ?   ?    17.990   2.6505 0.000000 2.650522 
1 1 1   20   31   23 o   43.417   4.2205  249.800   42.722   0.0000   0.0000  249.800   42.722  ?   ?    43.417   4.2205 0.000000 4.220458 
1 1 1   20   31   24 o   25.442   2.9612   81.900   17.457   0.0000   0.0000   81.900   17.457  ?   ?    25.442   2.9612 0.000000 2.961230 
1 1 1   20   31   25 o   21.890   2.8436   60.700   14.351   0.0000   0.0000   60.700   14.351  ?   ?    21.890   2.8436 0.000000 2.843580 
1 1 1   20   31   26 o   17.816   2.8315   40.700   11.514   0.0000   0.0000   40.700   11.514  ?   ?    17.816   2.8315 0.000000 2.831542 
1 1 1   20   31   27 o   8.2185   2.6508   8.4000   5.8540   0.0000   0.0000   8.4000   5.8540  ?   ?    8.2185   2.6508 0.000000 2.650807 
1 1 1   20   31   28 o   4.5937   1.9860  -0.2000   3.9498   0.0000   0.0000  -0.2000   3.9498  ?   ?    4.5937   1.9860 0.000000 1.986029 
1 1 1   20   31   29 o   8.8994   2.7378   10.400   6.3149   0.0000   0.0000   10.400   6.3149  ?   ?    8.8994   2.7378 0.000000 2.737841 
1 1 1   20   31   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   31   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32    0 o   45.074   4.1459  252.900   43.269  252.900   43.269  252.900   43.269   45.074   4.1459   45.074   4.1459 0.000000 0.000000 
1 1 1   20   32    1 o   26.305   2.0255   83.350   12.485   82.300   17.652   84.400   17.661   25.858   2.9435   26.204   2.9030 -0.3457546 4.134142 
1 1 1   20   32    2 o   4.7359   1.6680   2.3457   2.3179  -1.6000   3.6550   5.0000   2.9977   4.0960   1.8341   6.4066   1.8672 -2.310628 2.617316 
1 1 1   20   32    3 o   43.823   2.7110  233.542   27.916  194.300   39.401  273.100   39.559   39.074   4.3438   46.897   3.5997 -7.822968 5.641491 
1 1 1   20   32    4 o   12.089   1.7204   17.777   4.7725   20.000   6.7844   15.600   6.7147   12.697   2.3494   11.143   2.5996 1.554256 3.503893 
1 1 1   20   32    5 o   11.471   1.7229   16.043   4.5226   14.800   6.3783   17.300   6.4138   10.857   2.5341   11.778   2.3878 -0.9214630 3.481836 
1 1 1   20   32    6 o   38.680   2.5739  181.808   23.375  172.700   33.164  190.800   32.952   37.057   3.8459   39.106   3.6092 -2.048656 5.274220 
1 1 1   20   32    7 o   50.385   3.1037  311.898   36.747  328.900   51.971  294.900   51.966   50.791   4.3759   47.846   4.6586 2.945351 6.391515 
1 1 1   20   32    8 o   29.744   2.0762  106.708   14.491   84.600   20.361  129.400   20.628   25.997   3.3980   32.538   2.7094 -6.540779 4.345971 
1 1 1   20   32    9 o   27.602   1.9873   91.834   12.866   70.500   18.024  114.000   18.372   23.720   3.3078   30.569   2.5689 -6.848677 4.188175 
1 1 1   20   32   10 o   15.591   1.7712   29.436   6.4050   22.200   9.0805   36.600   9.0358   13.223   2.9796   17.283   2.2688 -4.060517 3.745080 
1 1 1   20   32   11 o   38.630   2.5333  181.823   22.981  174.600   32.439  189.100   32.561   37.182   3.7457   38.805   3.5943 -1.622837 5.191249 
1 1 1   20   32   12 o   40.742   2.4984  202.137   23.920  160.400   33.605  245.000   34.055   35.371   4.0993   44.400   3.2712 -9.028400 5.244529 
1 1 1   20   32   13 f   6.4594   1.8479   5.1242   2.9611   2.6000   3.7031   9.6000   4.9310   5.4762   2.0782   8.7554   2.3402 -3.279168 3.129767 
1 1 1   20   32   14 o   60.188   3.6623  456.510   51.803  416.800   73.178  496.400   73.343   55.115   5.7053   60.958   5.1432 -5.843040 7.681358 
1 1 1   20   32   15 o   34.265   3.5120  148.600   28.015   0.0000   0.0000  148.600   28.015  ?   ?    34.265   3.5120 0.000000 3.512004 
1 1 1   20   32   16 o   42.982   4.1529  239.800   41.625   0.0000   0.0000  239.800   41.625  ?   ?    42.982   4.1529 0.000000 4.152907 
1 1 1   20   32   17 o   25.826   2.9980   83.600   17.943   0.0000   0.0000   83.600   17.943  ?   ?    25.826   2.9980 0.000000 2.997953 
1 1 1   20   32   18 o   26.428   3.0967   88.000   18.959   0.0000   0.0000   88.000   18.959  ?   ?    26.428   3.0967 0.000000 3.096731 
1 1 1   20   32   19 o   16.894   2.6965   35.900   10.395   0.0000   0.0000   35.900   10.395  ?   ?    16.894   2.6965 0.000000 2.696458 
1 1 1   20   32   20 o   11.896   2.7226   18.100   7.4828   0.0000   0.0000   18.100   7.4828  ?   ?    11.896   2.7226 0.000000 2.722621 
1 1 1   20   32   21 o   15.414   2.7267   30.100   9.5617   0.0000   0.0000   30.100   9.5617  ?   ?    15.414   2.7267 0.000000 2.726663 
1 1 1   20   32   22 o   4.9753   1.9021   2.1000   3.1162   0.0000   0.0000   2.1000   3.1162  ?   ?    4.9753   1.9021 0.000000 1.902076 
1 1 1   20   32   23 o   10.719   2.5276   14.700   6.2940   0.0000   0.0000   14.700   6.2940  ?   ?    10.719   2.5276 0.000000 2.527638 
1 1 1   20   32   24 o   17.033   2.8273   37.100   10.973   0.0000   0.0000   37.100   10.973  ?   ?    17.033   2.8273 0.000000 2.827280 
1 1 1   20   32   25 o   27.981   3.2457  101.600   21.047   0.0000   0.0000  101.600   21.047  ?   ?    27.981   3.2457 0.000000 3.245707 
1 1 1   20   32   26 o   12.364   2.7396   20.000   7.7880   0.0000   0.0000   20.000   7.7880  ?   ?    12.364   2.7396 0.000000 2.739616 
1 1 1   20   32   27 o   11.187   2.7370   16.600   7.1709   0.0000   0.0000   16.600   7.1709  ?   ?    11.187   2.7370 0.000000 2.737037 
1 1 1   20   32   28 o   21.383   2.9409   60.700   14.456   0.0000   0.0000   60.700   14.456  ?   ?    21.383   2.9409 0.000000 2.940883 
1 1 1   20   32   29 o   2.7942   1.2815  -1.3000   1.9184   0.0000   0.0000  -1.3000   1.9184  ?   ?    2.7942   1.2815 0.000000 1.281525 
1 1 1   20   32   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   32   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   33    0 o   3.6358   2.1417   1.8000   3.1326   1.8000   3.1326   1.8000   3.1326   3.6358   2.1417   3.6358   2.1417 0.000000 0.000000 
1 1 1   20   33    1 o   22.213   1.8186   59.395   9.4556   48.700   13.248   70.500   13.500   19.789   2.9231   24.051   2.4094 -4.261951 3.788156 
1 1 1   20   33    2 o   19.526   1.8261   45.989   8.3220   47.500   11.811   44.500   11.727   19.636   2.6121   18.971   2.6934 0.6647930 3.751992 
1 1 1   20   33    3 o   31.317   2.2287  118.653   16.374  119.500   23.113  117.800   23.199   31.041   3.1991   30.799   3.2383 0.2414036 4.551996 
1 1 1   20   33    4 o   30.239   2.1519  110.509   15.265   97.000   21.556  124.100   21.621   27.867   3.3425   31.758   2.9157 -3.890688 4.435477 
1 1 1   20   33    5 o   17.910   1.7976   38.743   7.4996   39.700   10.646   37.800   10.566   17.922   2.5909   17.464   2.6450 0.4580135 3.702539 
1 1 1   20   33    6 o   38.390   2.3301  178.591   21.023  221.500   29.912  136.700   29.555   42.420   3.0056   32.813   3.8901 9.606625 4.915892 
1 1 1   20   33    7 o   46.728   2.8860  267.921   31.688  242.300   44.702  293.800   44.927   43.342   4.4299   48.134   3.9886 -4.791779 5.960991 
1 1 1   20   33    8 o   22.391   1.9375   60.588   10.143   60.000   14.205   61.200   14.489   22.013   2.7957   22.224   2.8247 -0.2115784 3.974294 
1 1 1   20   33    9 f   8.7800   2.2522   9.6568   4.6922   8.9000   6.9224   10.300   6.3820   8.7013   2.8872   9.1286   2.7409 -0.4273052 3.981005 
1 1 1   20   33   10 o   22.706   1.8729   62.242   9.9524   53.400   13.844   71.700   14.318   20.692   2.9140   24.166   2.5474 -3.474585 3.870501 
1 1 1   20   33   11 o   43.383   2.7796  231.134   28.326  212.900   40.041  249.400   40.077   40.618   4.2371   44.291   3.8708 -3.673035 5.739031 
1 1 1   20   33   12 o   19.855   1.8576   47.735   8.6082   51.300   12.480   44.500   11.889   20.334   2.6631   18.888   2.7461 1.445894 3.825292 
1 1 1   20   33   13 o   37.748   3.7588  181.900   33.059   0.0000   0.0000  181.900   33.059  ?   ?    37.748   3.7588 0.000000 3.758831 
1 1 1   20   33   14 o   15.812   2.6834   31.400   9.6613   0.0000   0.0000   31.400   9.6613  ?   ?    15.812   2.6834 0.000000 2.683444 
1 1 1   20   33   15 o   13.617   2.7098   23.500   8.4066   0.0000   0.0000   23.500   8.4066  ?   ?    13.617   2.7098 0.000000 2.709820 
1 1 1   20   33   16 o   36.799   3.7283  173.900   31.950   0.0000   0.0000  173.900   31.950  ?   ?    36.799   3.7283 0.000000 3.728328 
1 1 1   20   33   17 o   29.366   3.2169  109.000   21.942   0.0000   0.0000  109.000   21.942  ?   ?    29.366   3.2169 0.000000 3.216887 
1 1 1   20   33   18 o   5.7086   2.1216   3.1000   3.8162   0.0000   0.0000   3.1000   3.8162  ?   ?    5.7086   2.1216 0.000000 2.121605 
1 1 1   20   33   19 o  ?   ?   -7.0000   0.9907   0.0000   0.0000  -7.0000   0.9907  ?   ?   ?   ?  0.000000      ? 
1 1 1   20   33   20 o   17.573   2.7479   39.000   11.030   0.0000   0.0000   39.000   11.030  ?   ?    17.573   2.7479 0.000000 2.747927 
1 1 1   20   33   21 o   11.587   2.6339   17.200   7.0436   0.0000   0.0000   17.200   7.0436  ?   ?    11.587   2.6339 0.000000 2.633918 
1 1 1   20   33   22 o   22.635   2.8138   64.700   14.715   0.0000   0.0000   64.700   14.715  ?   ?    22.635   2.8138 0.000000 2.813771 
1 1 1   20   33   23 o   6.3646   2.1867   4.6000   3.9710   0.0000   0.0000   4.6000   3.9710  ?   ?    6.3646   2.1867 0.000000 2.186743 
1 1 1   20   33   24 o   12.212   2.8051   19.500   7.9191   0.0000   0.0000   19.500   7.9191  ?   ?    12.212   2.8051 0.000000 2.805123 
1 1 1   20   33   25 o   11.950   2.7591   18.800   7.6282   0.0000   0.0000   18.800   7.6282  ?   ?    11.950   2.7591 0.000000 2.759125 
1 1 1   20   33   26 f   7.6037   2.6105   7.0000   5.6587   0.0000   0.0000   7.0000   5.6587  ?   ?    7.6037   2.6105 0.000000 2.610506 
1 1 1   20   33   27 o   14.664   2.9549   29.100   9.8783   0.0000   0.0000   29.100   9.8783  ?   ?    14.664   2.9549 0.000000 2.954857 
1 1 1   20   33   28 o   10.037   2.8634   13.800   7.1195   0.0000   0.0000   13.800   7.1195  ?   ?    10.037   2.8634 0.000000 2.863364 
1 1 1   20   33   29 o   11.824   2.7857   19.200   7.6499   0.0000   0.0000   19.200   7.6499  ?   ?    11.824   2.7857 0.000000 2.785701 
1 1 1   20   33   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   33   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   33   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   33   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   34    0 o   3.4896   2.1538   1.1000   3.4829   1.1000   3.4829   1.1000   3.4829   3.4896   2.1538   3.4896   2.1538 0.000000 0.000000 
1 1 1   20   34    1 o   17.850   1.7743   38.495   7.3796   38.900   10.501   38.100   10.373   17.725   2.5848   17.540   2.5819 0.1858463 3.653368 
1 1 1   20   34    2 o   25.177   2.0080   76.622   11.839   72.700   16.789   80.500   16.696   24.177   3.0055   25.533   2.8161 -1.355801 4.118673 
1 1 1   20   34    3 o   27.229   2.0815   89.697   13.282   87.000   18.774   92.400   18.793   26.450   3.0624   27.311   2.9615 -0.8609009 4.260183 
1 1 1   20   34    4 o   47.364   2.8982  275.630   32.259  306.700   45.709  244.800   45.533   49.149   3.9724   43.453   4.5029 5.696564 6.004704 
1 1 1   20   34    5 o   25.875   2.0068   80.937   12.166   83.100   17.258   78.800   17.152   25.914   2.8683   25.200   2.9376 0.7145538 4.105712 
1 1 1   20   34    6 o   71.926   3.8691  654.183   65.473  530.000   91.986  781.700   93.212   61.250   6.4572   76.679   5.1783 -15.42871 8.277080 
1 1 1   20   34    7 o   20.400   1.7699   50.214   8.4413   41.700   11.717   59.400   12.171   18.272   2.8054   22.022   2.3783 -3.750317 3.677845 
1 1 1   20   34    8 o   7.7609   1.9950   7.5212   3.6762   8.1000   4.9356   6.8000   5.5094   8.1042   2.4052   7.6732   2.5763 0.4310145 3.524556 
1 1 1   20   34    9 o   23.334   1.8326   65.750   10.016   48.200   13.955   84.400   14.385   19.521   3.1333   26.281   2.3425 -6.760170 3.912157 
1 1 1   20   34   10 o   23.022   1.8515   64.071   9.9804   44.400   13.807   85.600   14.444   18.663   3.2511   26.463   2.3354 -7.800207 4.002964 
1 1 1   20   34   11 o   53.721   5.1319  389.900   64.309   0.0000   0.0000  389.900   64.309  ?   ?    53.721   5.1319 0.000000 5.131926 
1 1 1   20   34   12 o   49.798   4.7539  330.500   55.222   0.0000   0.0000  330.500   55.222  ?   ?    49.798   4.7539 0.000000 4.753921 
1 1 1   20   34   13 o   38.886   3.8323  194.500   34.732   0.0000   0.0000  194.500   34.732  ?   ?    38.886   3.8323 0.000000 3.832317 
1 1 1   20   34   14 o   23.358   2.9146   68.400   15.726   0.0000   0.0000   68.400   15.726  ?   ?    23.358   2.9146 0.000000 2.914578 
1 1 1   20   34   15 o   34.276   3.5281  149.900   28.148   0.0000   0.0000  149.900   28.148  ?   ?    34.276   3.5281 0.000000 3.528075 
1 1 1   20   34   16 o   19.406   2.7937   47.300   12.433   0.0000   0.0000   47.300   12.433  ?   ?    19.406   2.7937 0.000000 2.793726 
1 1 1   20   34   17 o   4.9532   2.0761   0.6000   4.0871   0.0000   0.0000   0.6000   4.0871  ?   ?    4.9532   2.0761 0.000000 2.076055 
1 1 1   20   34   18 o   12.932   2.7582   21.400   8.1657   0.0000   0.0000   21.400   8.1657  ?   ?    12.932   2.7582 0.000000 2.758157 
1 1 1   20   34   19 o   31.919   3.4183  130.700   25.364   0.0000   0.0000  130.700   25.364  ?   ?    31.919   3.4183 0.000000 3.418330 
1 1 1   20   34   20 o   2.9747   1.4221  -3.8000   2.8171   0.0000   0.0000  -3.8000   2.8171  ?   ?    2.9747   1.4221 0.000000 1.422101 
1 1 1   20   34   21 o   22.677   2.8588   65.300   14.968   0.0000   0.0000   65.300   14.968  ?   ?    22.677   2.8588 0.000000 2.858848 
1 1 1   20   34   22 o   7.9564   2.2879   8.0000   4.5281   0.0000   0.0000   8.0000   4.5281  ?   ?    7.9564   2.2879 0.000000 2.287896 
1 1 1   20   34   23 o   6.5043   2.2653   4.8000   4.2684   0.0000   0.0000   4.8000   4.2684  ?   ?    6.5043   2.2653 0.000000 2.265277 
1 1 1   20   34   24 o   10.385   2.7947   14.300   7.0042   0.0000   0.0000   14.300   7.0042  ?   ?    10.385   2.7947 0.000000 2.794718 
1 1 1   20   34   25 f   34.842   3.8988  171.000   31.527   0.0000   0.0000  171.000   31.527  ?   ?    34.842   3.8988 0.000000 3.898831 
1 1 1   20   34   26 o   19.312   2.9199   50.000   12.900   0.0000   0.0000   50.000   12.900  ?   ?    19.312   2.9199 0.000000 2.919924 
1 1 1   20   34   27 o   8.3215   2.6875   9.1000   6.0157   0.0000   0.0000   9.1000   6.0157  ?   ?    8.3215   2.6875 0.000000 2.687521 
1 1 1   20   34   28 o   8.1361   2.6737   8.7000   5.9420   0.0000   0.0000   8.7000   5.9420  ?   ?    8.1361   2.6737 0.000000 2.673737 
1 1 1   20   34   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   34   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   34   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   35    0 o   27.419   3.1051   94.100   19.439   94.100   19.439   94.100   19.439   27.419   3.1051   27.419   3.1051 0.000000 0.000000 
1 1 1   20   35    1 o   9.3646   1.6907   10.810   3.6012   6.3000   4.9928   15.700   5.1991   7.3685   2.4523   11.255   2.0310 -3.886176 3.184157 
1 1 1   20   35    2 o   16.426   1.8185   32.753   6.9354   29.500   9.8900   35.900   9.7282   15.284   2.8450   17.014   2.4956 -1.730153 3.784428 
1 1 1   20   35    3 o   20.939   1.7816   52.944   8.7253   39.700   12.203   66.800   12.481   17.723   3.0243   23.380   2.2902 -5.656845 3.793622 
1 1 1   20   35    4 o   23.343   1.9431   65.978   10.613   68.500   15.075   63.500   14.945   23.495   2.7705   22.571   2.8688 0.9234219 3.988189 
1 1 1   20   35    5 o   43.604   2.7675  234.039   28.348  282.700   40.136  185.600   40.044   47.270   3.6233   37.477   4.6230 9.793232 5.873643 
1 1 1   20   35    6 o   22.070   1.9353   59.036   9.9839   56.300   13.845   62.000   14.411   21.241   2.8307   22.319   2.7956 -1.078562 3.978508 
1 1 1   20   35    7 o   38.074   2.4719  177.268   22.104  150.100   31.128  204.900   31.393   34.135   3.9338   40.401   3.3200 -6.266041 5.147505 
1 1 1   20   35    8 o   19.291   1.9070   45.197   8.5730   38.300   12.036   52.300   12.214   17.368   3.0458   20.545   2.5743 -3.176519 3.987909 
1 1 1   20   35    9 o   12.800   2.6996   20.800   7.9030   0.0000   0.0000   20.800   7.9030  ?   ?    12.800   2.6996 0.000000 2.699594 
1 1 1   20   35   10 o   17.569   2.7830   38.800   11.161   0.0000   0.0000   38.800   11.161  ?   ?    17.569   2.7830 0.000000 2.783024 
1 1 1   20   35   11 o   14.620   2.9542   27.300   9.8477   0.0000   0.0000   27.300   9.8477  ?   ?    14.620   2.9542 0.000000 2.954160 
1 1 1   20   35   12 o   47.027   4.5575  293.600   49.975   0.0000   0.0000  293.600   49.975  ?   ?    47.027   4.5575 0.000000 4.557515 
1 1 1   20   35   13 o   27.155   3.0938   92.800   19.484   0.0000   0.0000   92.800   19.484  ?   ?    27.155   3.0938 0.000000 3.093764 
1 1 1   20   35   14 o   24.772   3.0122   77.200   17.257   0.0000   0.0000   77.200   17.257  ?   ?    24.772   3.0122 0.000000 3.012161 
1 1 1   20   35   15 o   18.164   2.7415   41.500   11.392   0.0000   0.0000   41.500   11.392  ?   ?    18.164   2.7415 0.000000 2.741457 
1 1 1   20   35   16 o   35.901   3.6916  166.500   30.850   0.0000   0.0000  166.500   30.850  ?   ?    35.901   3.6916 0.000000 3.691630 
1 1 1   20   35   17 o   5.2074   2.1200   1.4000   4.0980   0.0000   0.0000   1.4000   4.0980  ?   ?    5.2074   2.1200 0.000000 2.120027 
1 1 1   20   35   18 o   24.355   2.9873   75.200   16.820   0.0000   0.0000   75.200   16.820  ?   ?    24.355   2.9873 0.000000 2.987329 
1 1 1   20   35   19 o   15.881   2.6239   32.000   9.4960   0.0000   0.0000   32.000   9.4960  ?   ?    15.881   2.6239 0.000000 2.623909 
1 1 1   20   35   20 o   17.229   2.7253   37.900   10.719   0.0000   0.0000   37.900   10.719  ?   ?    17.229   2.7253 0.000000 2.725299 
1 1 1   20   35   21 o   9.9357   2.5561   12.800   6.0314   0.0000   0.0000   12.800   6.0314  ?   ?    9.9357   2.5561 0.000000 2.556050 
1 1 1   20   35   22 f   14.052   2.8493   26.000   9.1310   0.0000   0.0000   26.000   9.1310  ?   ?    14.052   2.8493 0.000000 2.849315 
1 1 1   20   35   23 o   6.7834   2.3442   5.4000   4.5668   0.0000   0.0000   5.4000   4.5668  ?   ?    6.7834   2.3442 0.000000 2.344227 
1 1 1   20   35   24 o   18.963   2.8505   47.700   12.369   0.0000   0.0000   47.700   12.369  ?   ?    18.963   2.8505 0.000000 2.850550 
1 1 1   20   35   25 o   8.6905   2.7223  10.0000   6.2116   0.0000   0.0000  10.0000   6.2116  ?   ?    8.6905   2.7223 0.000000 2.722292 
1 1 1   20   35   26 o   9.1752   2.8066   11.400   6.6468   0.0000   0.0000   11.400   6.6468  ?   ?    9.1752   2.8066 0.000000 2.806562 
1 1 1   20   35   27 o   20.662   3.0226   58.800   14.311   0.0000   0.0000   58.800   14.311  ?   ?    20.662   3.0226 0.000000 3.022555 
1 1 1   20   35   28 o   5.9321   2.4358   2.4000   5.4676   0.0000   0.0000   2.4000   5.4676  ?   ?    5.9321   2.4358 0.000000 2.435755 
1 1 1   20   35   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   35   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   36    0 o   36.252   3.6138  164.900   30.230  164.900   30.230  164.900   30.230   36.252   3.6138   36.252   3.6138 0.000000 0.000000 
1 1 1   20   36    1 o   15.604   1.7238   29.542   6.2456   28.900   8.7780   30.200   8.8882   15.204   2.5342   15.559   2.5042 -0.3552217 3.562740 
1 1 1   20   36    2 o   7.1230   1.8685   6.3234   3.1819   7.1000   4.3174   5.4000   4.7076   7.5903   2.2488   6.9337   2.3810 0.6566176 3.275112 
1 1 1   20   36    3 o   12.333   1.9326   18.731   5.4434   22.400   7.3233   14.200   8.1373   13.381   2.4062   10.574   3.0747 2.806520 3.904255 
1 1 1   20   36    4 o   7.7846   1.8949   7.5789   3.4504   10.500   5.0925   5.1000   4.6913   9.1249   2.3494   6.8096   2.3747 2.315289 3.340451 
1 1 1   20   36    5 o   24.850   2.0180   74.979   11.740   77.200   16.497   72.700   16.710   24.883   2.8596   24.072   3.0051 0.8101940 4.148247 
1 1 1   20   36    6 o   25.526   2.0523   79.169   12.266   67.800   17.212   90.900   17.484   23.123   3.2412   27.059   2.7756 -3.935480 4.267286 
1 1 1   20   36    7 o   39.508   3.9161  201.300   36.053   0.0000   0.0000  201.300   36.053  ?   ?    39.508   3.9161 0.000000 3.916110 
1 1 1   20   36    8 o   26.430   3.1410   88.000   19.219   0.0000   0.0000   88.000   19.219  ?   ?    26.430   3.1410 0.000000 3.141036 
1 1 1   20   36    9 o   12.524   2.7637   20.000   7.9539   0.0000   0.0000   20.000   7.9539  ?   ?    12.524   2.7637 0.000000 2.763689 
1 1 1   20   36   10 o   9.1544   2.7015   10.500   6.2409   0.0000   0.0000   10.500   6.2409  ?   ?    9.1544   2.7015 0.000000 2.701542 
1 1 1   20   36   11 o   61.043   6.0061  533.300   85.454   0.0000   0.0000  533.300   85.454  ?   ?    61.043   6.0061 0.000000 6.006146 
1 1 1   20   36   12 o   15.437   2.7740   30.200   9.7402   0.0000   0.0000   30.200   9.7402  ?   ?    15.437   2.7740 0.000000 2.773969 
1 1 1   20   36   13 o   16.295   2.7661   33.600   10.263   0.0000   0.0000   33.600   10.263  ?   ?    16.295   2.7661 0.000000 2.766114 
1 1 1   20   36   14 o   16.502   2.8397   34.600   10.666   0.0000   0.0000   34.600   10.666  ?   ?    16.502   2.8397 0.000000 2.839735 
1 1 1   20   36   15 o   23.638   2.8825   70.400   15.756   0.0000   0.0000   70.400   15.756  ?   ?    23.638   2.8825 0.000000 2.882501 
1 1 1   20   36   16 o   11.549   2.7606   17.200   7.4265   0.0000   0.0000   17.200   7.4265  ?   ?    11.549   2.7606 0.000000 2.760615 
1 1 1   20   36   17 o   16.848   2.8214   36.300   10.828   0.0000   0.0000   36.300   10.828  ?   ?    16.848   2.8214 0.000000 2.821440 
1 1 1   20   36   18 o   14.753   2.7470   28.000   9.2179   0.0000   0.0000   28.000   9.2179  ?   ?    14.753   2.7470 0.000000 2.747024 
1 1 1   20   36   19 o   28.102   3.2401  103.000   21.107   0.0000   0.0000  103.000   21.107  ?   ?    28.102   3.2401 0.000000 3.240139 
1 1 1   20   36   20 o   22.012   2.8569   62.700   14.500   0.0000   0.0000   62.700   14.500  ?   ?    22.012   2.8569 0.000000 2.856916 
1 1 1   20   36   21 o   17.493   2.6628   39.700   10.652   0.0000   0.0000   39.700   10.652  ?   ?    17.493   2.6628 0.000000 2.662758 
1 1 1   20   36   22 o   2.8362   1.3756  -4.7000   2.8715   0.0000   0.0000  -4.7000   2.8715  ?   ?    2.8362   1.3756 0.000000 1.375640 
1 1 1   20   36   23 o   8.6273   2.6686   9.8000   5.9903   0.0000   0.0000   9.8000   5.9903  ?   ?    8.6273   2.6686 0.000000 2.668596 
1 1 1   20   36   24 o   14.983   2.6554   29.900   9.0506   0.0000   0.0000   29.900   9.0506  ?   ?    14.983   2.6554 0.000000 2.655366 
1 1 1   20   36   25 o   3.6201   1.6957  -3.3000   3.6364   0.0000   0.0000  -3.3000   3.6364  ?   ?    3.6201   1.6957 0.000000 1.695651 
1 1 1   20   36   26 o   7.3995   2.6449   6.7000   5.8481   0.0000   0.0000   6.7000   5.8481  ?   ?    7.3995   2.6449 0.000000 2.644875 
1 1 1   20   36   27 o   9.2773   2.8680   11.900   6.9202   0.0000   0.0000   11.900   6.9202  ?   ?    9.2773   2.8680 0.000000 2.868036 
1 1 1   20   36   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   36   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   37    0 o   20.612   2.8637   54.000   13.170   54.000   13.170   54.000   13.170   20.612   2.8637   20.612   2.8637 0.000000 0.000000 
1 1 1   20   37    1 o   9.4795   1.7526   11.116   3.7786   3.5000   4.8902   22.400   5.9525   6.2808   2.3871   13.512   1.9196 -7.230764 3.063236 
1 1 1   20   37    2 o   32.115   2.1558  125.405   16.254  159.800   23.139   91.900   22.838   35.959   2.7458   26.703   3.7231 9.255941 4.626170 
1 1 1   20   37    3 o   15.769   1.7314   30.183   6.3408   15.400   8.5134   48.600   9.5024   10.974   3.1313   19.962   2.0447 -8.988423 3.739767 
1 1 1   20   37    4 o   41.432   4.0925  223.000   39.517   0.0000   0.0000  223.000   39.517  ?   ?    41.432   4.0925 0.000000 4.092533 
1 1 1   20   37    5 o   38.810   3.8340  193.800   34.678   0.0000   0.0000  193.800   34.678  ?   ?    38.810   3.8340 0.000000 3.834046 
1 1 1   20   37    6 o   16.520   2.7006   34.300   10.170   0.0000   0.0000   34.300   10.170  ?   ?    16.520   2.7006 0.000000 2.700577 
1 1 1   20   37    7 o   34.858   3.5964  155.400   29.177   0.0000   0.0000  155.400   29.177  ?   ?    34.858   3.5964 0.000000 3.596382 
1 1 1   20   37    8 o   25.207   3.0276   80.000   17.661   0.0000   0.0000   80.000   17.661  ?   ?    25.207   3.0276 0.000000 3.027580 
1 1 1   20   37    9 o   24.259   2.9495   74.000   16.549   0.0000   0.0000   74.000   16.549  ?   ?    24.259   2.9495 0.000000 2.949535 
1 1 1   20   37   10 o   24.430   2.9799   75.200   16.834   0.0000   0.0000   75.200   16.834  ?   ?    24.430   2.9799 0.000000 2.979871 
1 1 1   20   37   11 o   26.372   3.0947   88.000   18.905   0.0000   0.0000   88.000   18.905  ?   ?    26.372   3.0947 0.000000 3.094736 
1 1 1   20   37   12 o   42.112   4.2023  234.700   41.231   0.0000   0.0000  234.700   41.231  ?   ?    42.112   4.2023 0.000000 4.202322 
1 1 1   20   37   13 o   10.465   2.8656   14.100   7.2890   0.0000   0.0000   14.100   7.2890  ?   ?    10.465   2.8656 0.000000 2.865595 
1 1 1   20   37   14 o   21.579   2.9167   59.200   14.481   0.0000   0.0000   59.200   14.481  ?   ?    21.579   2.9167 0.000000 2.916668 
1 1 1   20   37   15 o   25.917   3.0755   86.000   18.455   0.0000   0.0000   86.000   18.455  ?   ?    25.917   3.0755 0.000000 3.075519 
1 1 1   20   37   16 o   20.992   2.9699   56.700   14.310   0.0000   0.0000   56.700   14.310  ?   ?    20.992   2.9699 0.000000 2.969878 
1 1 1   20   37   17 o   17.347   2.8259   38.900   11.177   0.0000   0.0000   38.900   11.177  ?   ?    17.347   2.8259 0.000000 2.825902 
1 1 1   20   37   18 o   36.055   3.8546  177.900   32.309   0.0000   0.0000  177.900   32.309  ?   ?    36.055   3.8546 0.000000 3.854646 
1 1 1   20   37   19 o   6.7690   2.4625   5.0000   5.0965   0.0000   0.0000   5.0000   5.0965  ?   ?    6.7690   2.4625 0.000000 2.462506 
1 1 1   20   37   20 o   2.4802   1.1653  -1.8000   1.7400   0.0000   0.0000  -1.8000   1.7400  ?   ?    2.4802   1.1653 0.000000 1.165293 
1 1 1   20   37   21 o   6.6806   2.4783   4.8000   5.2028   0.0000   0.0000   4.8000   5.2028  ?   ?    6.6806   2.4783 0.000000 2.478348 
1 1 1   20   37   22 o   7.9764   2.4189   8.3000   4.9524   0.0000   0.0000   8.3000   4.9524  ?   ?    7.9764   2.4189 0.000000 2.418905 
1 1 1   20   37   23 o   7.2546   2.5881   6.3000   5.5972   0.0000   0.0000   6.3000   5.5972  ?   ?    7.2546   2.5881 0.000000 2.588116 
1 1 1   20   37   24 o   2.6617   1.2627  -2.5000   2.1357   0.0000   0.0000  -2.5000   2.1357  ?   ?    2.6617   1.2627 0.000000 1.262689 
1 1 1   20   37   25 o   10.262   2.6181   14.400   6.3649   0.0000   0.0000   14.400   6.3649  ?   ?    10.262   2.6181 0.000000 2.618132 
1 1 1   20   37   26 o   8.8646   2.8072   10.700   6.5882   0.0000   0.0000   10.700   6.5882  ?   ?    8.8646   2.8072 0.000000 2.807216 
1 1 1   20   37   27 o   10.718   2.9370   16.300   7.6537   0.0000   0.0000   16.300   7.6537  ?   ?    10.718   2.9370 0.000000 2.937026 
1 1 1   20   38    0 o   1.4339   1.0337  -3.2000   1.7614  -3.2000   1.7614  -3.2000   1.7614   1.4339   1.0337   1.4339   1.0337 0.000000 0.000000 
1 1 1   20   38    1 o   20.807   2.0079   52.783   9.7428   57.200   13.969   48.600   13.595   21.345   2.8421   19.566   3.0413 1.779068 4.162574 
1 1 1   20   38    2 o   29.175   3.2134  107.700   21.771   0.0000   0.0000  107.700   21.771  ?   ?    29.175   3.2134 0.000000 3.213351 
1 1 1   20   38    3 o   50.660   4.9080  348.500   57.976   0.0000   0.0000  348.500   57.976  ?   ?    50.660   4.9080 0.000000 4.907953 
1 1 1   20   38    4 o   45.233   4.4507  272.100   46.923   0.0000   0.0000  272.100   46.923  ?   ?    45.233   4.4507 0.000000 4.450710 
1 1 1   20   38    5 f   32.223   3.4235  132.500   25.651   0.0000   0.0000  132.500   25.651  ?   ?    32.223   3.4235 0.000000 3.423522 
1 1 1   20   38    6 o   25.377   3.0122   81.200   17.698   0.0000   0.0000   81.200   17.698  ?   ?    25.377   3.0122 0.000000 3.012171 
1 1 1   20   38    7 o   32.319   3.5110  134.000   26.363   0.0000   0.0000  134.000   26.363  ?   ?    32.319   3.5110 0.000000 3.510986 
1 1 1   20   38    8 f   24.993   3.0290   79.000   17.512   0.0000   0.0000   79.000   17.512  ?   ?    24.993   3.0290 0.000000 3.028986 
1 1 1   20   38    9 o   8.1766   2.7057   8.0000   6.0811   0.0000   0.0000   8.0000   6.0811  ?   ?    8.1766   2.7057 0.000000 2.705714 
1 1 1   20   38   10 o   14.916   2.7546   28.400   9.3450   0.0000   0.0000   28.400   9.3450  ?   ?    14.916   2.7546 0.000000 2.754622 
1 1 1   20   38   11 o   29.953   3.3588  115.700   23.347   0.0000   0.0000  115.700   23.347  ?   ?    29.953   3.3588 0.000000 3.358814 
1 1 1   20   38   12 o   13.640   2.7852   24.000   8.6677   0.0000   0.0000   24.000   8.6677  ?   ?    13.640   2.7852 0.000000 2.785209 
1 1 1   20   38   13 o   8.9581   2.7005   10.200   6.1862   0.0000   0.0000   10.200   6.1862  ?   ?    8.9581   2.7005 0.000000 2.700531 
1 1 1   20   38   14 o   17.288   2.8000   38.500   11.040   0.0000   0.0000   38.500   11.040  ?   ?    17.288   2.8000 0.000000 2.799993 
1 1 1   20   38   15 o   12.044   2.6423   18.900   7.3084   0.0000   0.0000   18.900   7.3084  ?   ?    12.044   2.6423 0.000000 2.642300 
1 1 1   20   38   16 o   25.355   3.1239   84.600   18.308   0.0000   0.0000   84.600   18.308  ?   ?    25.355   3.1239 0.000000 3.123906 
1 1 1   20   38   17 o   16.904   2.9021   37.700   11.167   0.0000   0.0000   37.700   11.167  ?   ?    16.904   2.9021 0.000000 2.902130 
1 1 1   20   38   18 o   10.548   2.5276   14.700   6.2135   0.0000   0.0000   14.700   6.2135  ?   ?    10.548   2.5276 0.000000 2.527625 
1 1 1   20   38   19 o   21.018   3.0425   59.400   14.661   0.0000   0.0000   59.400   14.661  ?   ?    21.018   3.0425 0.000000 3.042492 
1 1 1   20   38   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   38   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39    2 o   27.380   3.1980   95.600   20.287   0.0000   0.0000   95.600   20.287  ?   ?    27.380   3.1980 0.000000 3.197982 
1 1 1   20   39    3 o   39.998   3.9968  210.800   37.244   0.0000   0.0000  210.800   37.244  ?   ?    39.998   3.9968 0.000000 3.996762 
1 1 1   20   39    4 o   12.680   2.6891   20.600   7.8019   0.0000   0.0000   20.600   7.8019  ?   ?    12.680   2.6891 0.000000 2.689123 
1 1 1   20   39    5 o   11.346   2.9183   16.700   7.8631   0.0000   0.0000   16.700   7.8631  ?   ?    11.346   2.9183 0.000000 2.918350 
1 1 1   20   39    6 o   14.416   2.8899   26.800   9.4950   0.0000   0.0000   26.800   9.4950  ?   ?    14.416   2.8899 0.000000 2.889875 
1 1 1   20   39    7 o   11.691   2.6617   17.600   7.1832   0.0000   0.0000   17.600   7.1832  ?   ?    11.691   2.6617 0.000000 2.661664 
1 1 1   20   39    8 o   5.9952   2.2516   3.4000   4.3202   0.0000   0.0000   3.4000   4.3202  ?   ?    5.9952   2.2516 0.000000 2.251584 
1 1 1   20   39    9 o   11.431   2.6565   16.900   7.0342   0.0000   0.0000   16.900   7.0342  ?   ?    11.431   2.6565 0.000000 2.656510 
1 1 1   20   39   10 o   30.691   3.3528  122.900   23.903   0.0000   0.0000  122.900   23.903  ?   ?    30.691   3.3528 0.000000 3.352775 
1 1 1   20   39   11 o   15.080   2.8010   29.500   9.6067   0.0000   0.0000   29.500   9.6067  ?   ?    15.080   2.8010 0.000000 2.800976 
1 1 1   20   39   12 o   24.370   3.0249   77.200   17.033   0.0000   0.0000   77.200   17.033  ?   ?    24.370   3.0249 0.000000 3.024923 
1 1 1   20   39   13 o   11.937   2.8495   18.900   7.9208   0.0000   0.0000   18.900   7.9208  ?   ?    11.937   2.8495 0.000000 2.849504 
1 1 1   20   39   14 o   17.116   2.6815   38.000   10.482   0.0000   0.0000   38.000   10.482  ?   ?    17.116   2.6815 0.000000 2.681500 
1 1 1   20   39   15 o   21.197   3.0129   59.600   14.657   0.0000   0.0000   59.600   14.657  ?   ?    21.197   3.0129 0.000000 3.012927 
1 1 1   20   39   16 o   3.1812   1.5390  -5.5000   3.5363   0.0000   0.0000  -5.5000   3.5363  ?   ?    3.1812   1.5390 0.000000 1.539045 
1 1 1   20   39   17 o   17.023   2.9555   39.000   11.449   0.0000   0.0000   39.000   11.449  ?   ?    17.023   2.9555 0.000000 2.955547 
1 1 1   20   39   18 o   6.9200   2.5555   5.3000   5.5194   0.0000   0.0000   5.3000   5.5194  ?   ?    6.9200   2.5555 0.000000 2.555514 
1 1 1   20   39   19 o   10.748   2.8845   15.900   7.4738   0.0000   0.0000   15.900   7.4738  ?   ?    10.748   2.8845 0.000000 2.884536 
1 1 1   20   39   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   39   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40    5 o   27.898   3.2328  101.300   20.903   0.0000   0.0000  101.300   20.903  ?   ?    27.898   3.2328 0.000000 3.232840 
1 1 1   20   40    6 o   14.473   2.9677   27.500   9.8018   0.0000   0.0000   27.500   9.8018  ?   ?    14.473   2.9677 0.000000 2.967654 
1 1 1   20   40    7 o   22.206   3.0007   64.000   15.331   0.0000   0.0000   64.000   15.331  ?   ?    22.206   3.0007 0.000000 3.000718 
1 1 1   20   40    8 o   3.5228   1.6646  -4.0000   3.6420   0.0000   0.0000  -4.0000   3.6420  ?   ?    3.5228   1.6646 0.000000 1.664575 
1 1 1   20   40    9 o   8.7534   2.7583   9.8000   6.3667   0.0000   0.0000   9.8000   6.3667  ?   ?    8.7534   2.7583 0.000000 2.758297 
1 1 1   20   40   10 o   13.233   2.7989   23.100   8.4730   0.0000   0.0000   23.100   8.4730  ?   ?    13.233   2.7989 0.000000 2.798916 
1 1 1   20   40   11 o   16.910   2.7375   37.300   10.557   0.0000   0.0000   37.300   10.557  ?   ?    16.910   2.7375 0.000000 2.737473 
1 1 1   20   40   12 o  ?   ?   -9.1000   0.9333   0.0000   0.0000  -9.1000   0.9333  ?   ?   ?   ?  0.000000      ? 
1 1 1   20   40   13 o   9.4552   2.8337   11.900   6.8262   0.0000   0.0000   11.900   6.8262  ?   ?    9.4552   2.8337 0.000000 2.833735 
1 1 1   20   40   14 f   22.674   3.0380   68.900   15.857   0.0000   0.0000   68.900   15.857  ?   ?    22.674   3.0380 0.000000 3.037982 
1 1 1   20   40   15 o   7.8656   2.8898   7.2000   7.0433   0.0000   0.0000   7.2000   7.0433  ?   ?    7.8656   2.8898 0.000000 2.889765 
1 1 1   20   40   16 o   6.5084   2.4746   4.3000   5.2561   0.0000   0.0000   4.3000   5.2561  ?   ?    6.5084   2.4746 0.000000 2.474553 
1 1 1   20   40   17 o   4.8364   1.9573   1.5000   3.4691   0.0000   0.0000   1.5000   3.4691  ?   ?    4.8364   1.9573 0.000000 1.957275 
1 1 1   20   40   18 o   6.5235   2.5838   3.8000   5.9137   0.0000   0.0000   3.8000   5.9137  ?   ?    6.5235   2.5838 0.000000 2.583834 
1 1 1   20   40   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   40   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41    9 o   14.040   3.0243   26.700   9.7305   0.0000   0.0000   26.700   9.7305  ?   ?    14.040   3.0243 0.000000 3.024343 
1 1 1   20   41   10 o   20.925   3.0056   58.500   14.425   0.0000   0.0000   58.500   14.425  ?   ?    20.925   3.0056 0.000000 3.005555 
1 1 1   20   41   11 o   6.8031   2.5226   5.0000   5.3891   0.0000   0.0000   5.0000   5.3891  ?   ?    6.8031   2.5226 0.000000 2.522619 
1 1 1   20   41   12 f   10.240   2.9690   14.300   7.5972   0.0000   0.0000   14.300   7.5972  ?   ?    10.240   2.9690 0.000000 2.968984 
1 1 1   20   41   13 o   15.816   3.0106   34.100   10.833   0.0000   0.0000   34.100   10.833  ?   ?    15.816   3.0106 0.000000 3.010607 
1 1 1   20   41   14 o   21.003   3.0791   60.100   14.817   0.0000   0.0000   60.100   14.817  ?   ?    21.003   3.0791 0.000000 3.079050 
1 1 1   20   41   15 o   10.794   2.6761   15.800   6.7872   0.0000   0.0000   15.800   6.7872  ?   ?    10.794   2.6761 0.000000 2.676138 
1 1 1   20   41   16 o   8.7304   2.5426   10.200   5.5607   0.0000   0.0000   10.200   5.5607  ?   ?    8.7304   2.5426 0.000000 2.542612 
1 1 1   20   41   17 o   18.253   3.0313   45.700   12.607   0.0000   0.0000   45.700   12.607  ?   ?    18.253   3.0313 0.000000 3.031297 
1 1 1   20   41   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   41   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   42   13 o   6.6628   2.2727   5.4000   4.2881   0.0000   0.0000   5.4000   4.2881  ?   ?    6.6628   2.2727 0.000000 2.272727 
1 1 1   20   42   14 o  ?   ?   -8.4000   1.0194   0.0000   0.0000  -8.4000   1.0194  ?   ?   ?   ?  0.000000      ? 
1 1 1   20   42   15 f   11.924   2.9936   19.800   8.4165   0.0000   0.0000   19.800   8.4165  ?   ?    11.924   2.9936 0.000000 2.993579 
1 1 1   20   42   16 o   16.786   3.0321   39.000   11.576   0.0000   0.0000   39.000   11.576  ?   ?    16.786   3.0321 0.000000 3.032085 
1 1 1   20   42   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   43   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   20   44   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0    1 o   31.717   2.2137  120.717   16.394  120.717   16.394  120.717   16.394   31.717   2.2137   31.717   2.2137 0.000000 0.000000 
1 1 1   21    0    2 o   74.271   4.1978  661.928   73.083  661.928   73.083  661.928   73.083   74.271   4.1978   74.271   4.1978 0.000000 0.000000 
1 1 1   21    0    3 o  125.447   6.6667  1906.01  196.211  1906.01  196.211  1906.01  196.211  125.447   6.6667  125.447   6.6667 0.000000 0.000000 
1 1 1   21    0    4 o   37.661   2.5233  170.123   22.209  170.123   22.209  170.123   22.209   37.661   2.5233   37.661   2.5233 0.000000 0.000000 
1 1 1   21    0    5 o   23.835   1.9688   68.545   10.907   68.545   10.907   68.545   10.907   23.835   1.9688   23.835   1.9688 0.000000 0.000000 
1 1 1   21    0    6 o   49.856   2.9261  297.543   34.176  297.543   34.176  297.543   34.176   49.856   2.9261   49.856   2.9261 0.000000 0.000000 
1 1 1   21    0    7 o   17.523   1.6702   37.273   6.7666   37.273   6.7666   37.273   6.7666   17.523   1.6702   17.523   1.6702 0.000000 0.000000 
1 1 1   21    0    8 o   40.323   2.6358  195.021   24.851  195.021   24.851  195.021   24.851   40.323   2.6358   40.323   2.6358 0.000000 0.000000 
1 1 1   21    0    9 o   55.310   3.3019  366.869   42.773  366.869   42.773  366.869   42.773   55.310   3.3019   55.310   3.3019 0.000000 0.000000 
1 1 1   21    0   10 o   90.687   4.8129  989.901  102.402  989.901  102.402  989.901  102.402   90.687   4.8129   90.687   4.8129 0.000000 0.000000 
1 1 1   21    0   11 o   77.072   4.3288  714.427   78.214  714.427   78.214  714.427   78.214   77.072   4.3288   77.072   4.3288 0.000000 0.000000 
1 1 1   21    0   12 o   60.177   3.5460  434.741   49.988  434.741   49.988  434.741   49.988   60.177   3.5460   60.177   3.5460 0.000000 0.000000 
1 1 1   21    0   13 o   73.878   4.2696  657.129   73.916  657.129   73.916  657.129   73.916   73.878   4.2696   73.878   4.2696 0.000000 0.000000 
1 1 1   21    0   14 o   86.067   4.9212  894.943   99.268  894.943   99.268  894.943   99.268   86.067   4.9212   86.067   4.9212 0.000000 0.000000 
1 1 1   21    0   15 o   16.878   1.7775   34.801   6.9046   34.801   6.9046   34.801   6.9046   16.878   1.7775   16.878   1.7775 0.000000 0.000000 
1 1 1   21    0   16 f   25.052   2.9485   77.500   16.809   77.500   16.809   77.500   16.809   25.052   2.9485   25.052   2.9485 0.000000 0.000000 
1 1 1   21    0   17 o   22.195   1.8943   59.556   9.7617   59.556   9.7617   59.556   9.7617   22.195   1.8943   22.195   1.8943 0.000000 0.000000 
1 1 1   21    0   18 o   58.673   3.4411  413.924   47.301  413.924   47.301  413.924   47.301   58.673   3.4411   58.673   3.4411 0.000000 0.000000 
1 1 1   21    0   19 f   34.839   2.3674  145.867   19.269  145.867   19.269  145.867   19.269   34.839   2.3674   34.839   2.3674 0.000000 0.000000 
1 1 1   21    0   20 o   65.750   3.8543  521.625   59.370  521.625   59.370  521.625   59.370   65.750   3.8543   65.750   3.8543 0.000000 0.000000 
1 1 1   21    0   21 o   9.7399   1.8904   12.415   3.8772   12.415   3.8772   12.415   3.8772   9.7399   1.8904   9.7399   1.8904 0.000000 0.000000 
1 1 1   21    0   22 o   56.191   3.3591  380.924   44.207  380.924   44.207  380.924   44.207   56.191   3.3591   56.191   3.3591 0.000000 0.000000 
1 1 1   21    0   23 o   14.234   1.7670   25.082   5.6926   25.082   5.6926   25.082   5.6926   14.234   1.7670   14.234   1.7670 0.000000 0.000000 
1 1 1   21    0   24 o   33.828   2.2599  137.761   17.867  137.761   17.867  137.761   17.867   33.828   2.2599   33.828   2.2599 0.000000 0.000000 
1 1 1   21    0   25 o   16.445   1.7248   33.097   6.5293   33.097   6.5293   33.097   6.5293   16.445   1.7248   16.445   1.7248 0.000000 0.000000 
1 1 1   21    0   26 o   13.351   1.4929   21.889   4.5557   21.889   4.5557   21.889   4.5557   13.351   1.4929   13.351   1.4929 0.000000 0.000000 
1 1 1   21    0   27 o   20.674   2.8641   53.900   13.216   53.900   13.216   53.900   13.216   20.674   2.8641   20.674   2.8641 0.000000 0.000000 
1 1 1   21    0   28 o   2.0207   1.3691  -1.0000   1.9428  -1.0000   1.9428  -1.0000   1.9428   2.0207   1.3691   2.0207   1.3691 0.000000 0.000000 
1 1 1   21    0   29 f   11.509   3.0613   18.800   7.1886   18.800   7.1886   18.800   7.1886   11.509   3.0613   11.509   3.0613 0.000000 0.000000 
1 1 1   21    0   30 o   2.4234   1.5923  -0.4000   2.2992  -0.4000   2.2992  -0.4000   2.2992   2.4234   1.5923   2.4234   1.5923 0.000000 0.000000 
1 1 1   21    0   31 o   28.189   3.1717   99.100   20.425   99.100   20.425   99.100   20.425   28.189   3.1717   28.189   3.1717 0.000000 0.000000 
1 1 1   21    0   32 o   19.849   2.8884   50.100   12.701   50.100   12.701   50.100   12.701   19.849   2.8884   19.849   2.8884 0.000000 0.000000 
1 1 1   21    0   33 o   19.894   2.8843   50.400   12.720   50.400   12.720   50.400   12.720   19.894   2.8843   19.894   2.8843 0.000000 0.000000 
1 1 1   21    0   34 o   41.861   4.0091  221.000   38.795  221.000   38.795  221.000   38.795   41.861   4.0091   41.861   4.0091 0.000000 0.000000 
1 1 1   21    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    0   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1    0 o   6.5848   2.7238   7.2000   4.2067   7.2000   4.2067   7.2000   4.2067   6.5848   2.7238   6.5848   2.7238 0.000000 0.000000 
1 1 1   21    1    1 o   48.497   2.9230  280.530   33.317  255.200   47.098  305.900   47.137   45.948   4.3945   50.438   3.9902 -4.490055 5.935749 
1 1 1   21    1    2 o   85.345   4.6948  877.326   94.251  829.600  133.118  925.300  133.464   82.033   6.9371   86.855   6.5557 -4.822365 9.544638 
1 1 1   21    1    3 o   23.125   1.8341   63.704   9.9333   57.200   13.896   70.500   14.205   21.773   2.7650   24.246   2.5178 -2.472996 3.739572 
1 1 1   21    1    4 o   38.254   2.4859  174.366   22.334  193.100   31.571  155.600   31.598   40.121   3.3634   35.903   3.7840 4.217587 5.062712 
1 1 1   21    1    5 o   51.742   3.0926  319.706   37.612  350.000   53.187  289.400   53.197   53.895   4.2127   48.860   4.6675 5.034885 6.287525 
1 1 1   21    1    6 o  121.962   6.5508  1825.20  187.971  2053.70  266.123  1597.70  265.539  127.398   8.9022  111.118   10.235 16.27982 13.56487 
1 1 1   21    1    7 o   13.875   1.6539   23.105   5.3118   24.100   7.4928   22.100   7.5313   14.068   2.3376   13.437   2.4644 0.6310129 3.396665 
1 1 1   21    1    8 o   93.539   5.2320  1062.01  115.101  1078.50  162.746  1045.50  162.810   92.968   7.4766   91.440   7.6093 1.528259 10.66772 
1 1 1   21    1    9 o   86.215   4.8508  899.720   98.354  951.200  139.066  848.200  139.120   87.653   6.7713   82.488   7.2148 5.165024 9.894648 
1 1 1   21    1   10 o   32.314   2.2225  124.450   16.856  130.700   23.838  118.200   23.838   32.978   3.0974   31.314   3.2721 1.663818 4.505668 
1 1 1   21    1   11 o   34.426   2.3094  141.300   18.665  142.000   26.397  140.600   26.397   34.341   3.2957   34.166   3.3135 0.1748543 4.673390 
1 1 1   21    1   12 o  110.846   6.2311  1513.33  162.438  1544.60  229.615  1482.00  229.828  109.635   8.9473  107.162   9.1707 2.473175 12.81232 
1 1 1   21    1   13 o   86.546   4.8715  909.805   99.152  996.000  140.219  823.600  140.226   89.484   6.6841   80.850   7.4280 8.634613 9.992623 
1 1 1   21    1   14 o   29.835   2.0312  106.072   14.225  126.500   20.181   85.900   20.054   32.498   2.6530   26.622   3.2581 5.875242 4.201634 
1 1 1   21    1   15 o   47.943   2.9260  275.114   32.967  304.300   46.611  245.900   46.633   50.154   3.9680   44.907   4.4565 5.247299 5.967041 
1 1 1   21    1   16 o   59.974   3.4947  432.500   49.278  433.000   69.660  432.000   69.721   59.451   5.0087   59.377   5.0196 0.7357788E-01 7.091094 
1 1 1   21    1   17 o   41.097   2.6070  201.956   25.169  217.200   35.587  186.700   35.602   42.394   3.5886   39.200   3.8978 3.194916 5.298196 
1 1 1   21    1   18 o   24.522   1.9306   71.800   11.088   78.700   15.681   64.900   15.681   25.563   2.6357   23.128   2.9376 2.434572 3.946658 
1 1 1   21    1   19 o   41.826   2.6006  209.415   25.558  228.500   36.177  190.400   36.112   43.447   3.5574   39.526   3.9208 3.920795 5.294124 
1 1 1   21    1   20 o   23.669   1.9084   66.955   10.576   70.700   14.947   63.200   14.965   24.193   2.6604   22.821   2.8385 1.372192 3.890381 
1 1 1   21    1   21 o   57.760   3.4117  403.506   46.326  452.400   65.512  354.600   65.519   60.589   4.6136   53.254   5.2798 7.334354 7.011500 
1 1 1   21    1   22 o   57.385   3.3948  399.100   45.797  439.600   64.766  358.600   64.766   59.585   4.6397   53.468   5.1953 6.117100 6.965484 
1 1 1   21    1   23 o   13.550   1.7072   22.159   5.3413   19.400   7.6371   24.800   7.4729   12.488   2.6707   14.234   2.3019 -1.745811 3.525808 
1 1 1   21    1   24 o   49.690   3.0272  299.298   35.350  324.500   49.994  274.100   49.990   51.161   4.1746   46.766   4.5858 4.395576 6.201363 
1 1 1   21    1   25 o   10.010   1.5972   12.205   3.6484   13.300   5.2735   11.200   5.0529   10.350   2.2241   9.4844   2.2835 0.8651762 3.187620 
1 1 1   21    1   26 o   38.774   2.2841  180.889   20.821  224.000   29.553  138.400   29.339   42.912   2.9341   33.337   3.7946 9.575596 4.796593 
1 1 1   21    1   27 o   31.792   1.9951  121.356   14.902  142.900   21.222  100.400   20.930   34.304   2.6402   28.539   3.1587 5.764429 4.116778 
1 1 1   21    1   28 o   32.084   3.2561  127.200   24.327  127.200   24.327   0.0000   0.0000   32.084   3.2561  ?   ?  0.000000 3.256072 
1 1 1   21    1   29 o   50.525   4.5873  326.500   54.134  326.500   54.134   0.0000   0.0000   50.525   4.5873  ?   ?  0.000000 4.587331 
1 1 1   21    1   30 o   27.623   3.0119   94.200   19.328   94.200   19.328   0.0000   0.0000   27.623   3.0119  ?   ?  0.000000 3.011912 
1 1 1   21    1   31 o   35.098   3.4684  153.700   28.370  153.700   28.370   0.0000   0.0000   35.098   3.4684  ?   ?  0.000000 3.468395 
1 1 1   21    1   32 o   4.7113   1.8745   1.4000   3.1254   1.4000   3.1254   0.0000   0.0000   4.7113   1.8745  ?   ?  0.000000 1.874494 
1 1 1   21    1   33 o   42.777   4.0465  234.500   40.389  234.500   40.389   0.0000   0.0000   42.777   4.0465  ?   ?  0.000000 4.046503 
1 1 1   21    1   34 o   40.244   3.8967  208.100   36.567  208.100   36.567   0.0000   0.0000   40.244   3.8967  ?   ?  0.000000 3.896686 
1 1 1   21    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    1   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2    0 o  131.200   10.616  2158.80  323.934  2158.80  323.934  2158.80  323.934  131.200   10.616  131.200   10.616 0.000000 0.000000 
1 1 1   21    2    1 o   34.634   2.3057  142.840   18.749  138.600   26.485  147.100   26.546   33.953   3.3468   35.006   3.2484 -1.052902 4.664064 
1 1 1   21    2    2 o   53.303   3.1361  339.209   39.300  351.400   55.671  327.100   55.485   53.971   4.4067   52.019   4.5632 1.952023 6.343633 
1 1 1   21    2    3 o   43.078   2.6764  221.195   27.090  235.000   38.318  207.400   38.304   44.221   3.7036   41.471   3.9596 2.750694 5.421767 
1 1 1   21    2    4 o   10.517   1.5258   13.357   3.6787   8.2000   5.1111   18.900   5.2990   8.2585   2.4468   12.501   1.8511 -4.242108 3.068153 
1 1 1   21    2    5 o   78.899   4.4376  749.289   82.341  744.200  116.326  754.400  116.568   77.844   6.3845   78.394   6.3516 -0.5497589 9.005858 
1 1 1   21    2    6 o   23.208   1.9034   64.215   10.339   66.100   14.565   62.300   14.678   23.439   2.6798   22.727   2.7939 0.7117252 3.871323 
1 1 1   21    2    7 o   61.809   3.5998  457.781   52.313  479.800   73.929  435.700   74.034   62.855   5.0229   59.784   5.2991 3.070885 7.301412 
1 1 1   21    2    8 o   48.775   2.9106  284.060   33.370  269.500   47.129  298.700   47.257   47.197   4.2751   49.764   4.0568 -2.567375 5.893609 
1 1 1   21    2    9 o   41.695   2.6337  207.412   25.798  220.400   36.467  194.400   36.500   42.788   3.6440   40.107   3.9034 2.680641 5.339933 
1 1 1   21    2   10 o   26.806   2.0162   85.652   12.669   90.600   17.913   80.700   17.920   27.457   2.8021   25.864   2.9891 1.592964 4.097123 
1 1 1   21    2   11 o   25.864   1.9774   79.749   11.985   83.000   16.953   76.500   16.946   26.269   2.7749   25.185   2.9026 1.083830 4.015647 
1 1 1   21    2   12 o   24.691   1.9518   72.714   11.287   79.700   15.947   65.700   15.978   25.752   2.6607   23.299   2.9718 2.453138 3.988882 
1 1 1   21    2   13 o  102.732   5.7178  1294.13  138.159  1463.70  195.426  1124.70  195.346  107.650   7.7395   93.259   8.9816 14.39109 11.85622 
1 1 1   21    2   14 o   7.0371   1.7518   6.0986   2.8997   1.8000   4.2038  10.0000   4.0049   5.4612   2.1736   9.0124   1.9394 -3.551268 2.913031 
1 1 1   21    2   15 o   56.624   3.3378  384.859   44.432  411.500   62.826  358.200   62.847   58.135   4.6145   54.080   4.9772 4.054733 6.787197 
1 1 1   21    2   16 o   49.895   2.9886  298.224   35.050  327.300   49.590  269.200   49.546   51.968   4.0736   46.956   4.5244 5.012276 6.088085 
1 1 1   21    2   17 o   61.266   3.5663  451.953   51.371  456.000   72.621  447.900   72.679   60.934   5.0938   60.362   5.1481 0.5719299 7.242241 
1 1 1   21    2   18 o   37.096   2.4205  164.495   21.086  175.000   29.828  154.000   29.813   38.059   3.3532   35.623   3.5933 2.436291 4.914868 
1 1 1   21    2   19 o   33.107   2.2630  131.003   17.585  142.600   24.867  119.400   24.872   34.373   3.0969   31.352   3.4148 3.021231 4.609991 
1 1 1   21    2   20 o   28.869   2.0317   99.536   13.762  111.500   19.515   87.700   19.410   30.426   2.7457   26.872   3.1167 3.553936 4.153673 
1 1 1   21    2   21 o   67.959   3.8521  561.697   61.562  655.200   87.110  468.400   87.014   72.627   5.1120   60.673   6.1588 11.95397 8.003901 
1 1 1   21    2   22 o   29.781   2.1099  106.175   14.742  118.600   20.869   93.800   20.827   31.313   2.8537   27.715   3.2438 3.597706 4.320341 
1 1 1   21    2   23 o   83.521   4.7517  868.122   93.328  978.700  132.063  757.800  131.910   86.820   6.4885   75.192   7.5304 11.62799 9.940222 
1 1 1   21    2   24 o   31.258   2.1440  117.242   15.730  129.000   22.301  105.600   22.190   32.576   2.9304   29.347   3.2571 3.229694 4.381309 
1 1 1   21    2   25 o   28.532   2.0290   97.694   13.581  106.600   19.323   89.000   19.092   29.602   2.7975   26.947   3.0542 2.654997 4.141815 
1 1 1   21    2   26 o   24.055   1.8685   69.441   10.530   74.500   14.980   64.500   14.806   24.739   2.6033   22.948   2.7896 1.791275 3.815689 
1 1 1   21    2   27 o   5.6922   1.5797   3.9708   2.1982   6.1000   3.5126   2.6000   2.8183   7.0539   2.0109   5.0935   1.8345 1.960403 2.721906 
1 1 1   21    2   28 o   27.591   2.9962   93.700   19.207   93.700   19.207   0.0000   0.0000   27.591   2.9962  ?   ?  0.000000 2.996197 
1 1 1   21    2   29 o   32.061   3.2594  127.200   24.333  127.200   24.333   0.0000   0.0000   32.061   3.2594  ?   ?  0.000000 3.259379 
1 1 1   21    2   30 o   35.489   3.4842  156.900   28.822  156.900   28.822   0.0000   0.0000   35.489   3.4842  ?   ?  0.000000 3.484160 
1 1 1   21    2   31 o   23.838   2.8218   70.100   15.575   70.100   15.575   0.0000   0.0000   23.838   2.8218  ?   ?  0.000000 2.821764 
1 1 1   21    2   32 o   41.503   3.9240  218.200   38.001  218.200   38.001   0.0000   0.0000   41.503   3.9240  ?   ?  0.000000 3.924032 
1 1 1   21    2   33 o   46.382   4.3456  278.800   47.040  278.800   47.040   0.0000   0.0000   46.382   4.3456  ?   ?  0.000000 4.345554 
1 1 1   21    2   34 o   46.654   4.4225  285.600   48.139  285.600   48.139   0.0000   0.0000   46.654   4.4225  ?   ?  0.000000 4.422523 
1 1 1   21    2   35 o   20.863   2.8000   54.600   13.446   54.600   13.446   0.0000   0.0000   20.863   2.8000  ?   ?  0.000000 2.799972 
1 1 1   21    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    2   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3    0 o  102.918   8.3002  1308.00  198.698  1308.00  198.698  1308.00  198.698  102.918   8.3002  102.918   8.3002 0.000000 0.000000 
1 1 1   21    3    1 o   5.8200   1.5496   4.1470   2.1675   3.9000   3.0473   4.4000   3.0837   5.8585   1.9143   6.1291   1.9178 -0.2706690 2.709647 
1 1 1   21    3    2 o   58.791   3.4654  413.409   47.896  383.700   67.804  443.000   67.668   56.187   5.1684   60.526   4.7733 -4.339291 7.035334 
1 1 1   21    3    3 o   19.475   1.8031   45.280   8.1980   39.100   11.622   51.400   11.566   17.924   2.8407   20.678   2.4141 -2.753845 3.727959 
1 1 1   21    3    4 o   77.634   4.2006  723.980   76.719  847.300  108.572  601.000  108.422   83.492   5.5384   69.797   6.6592 13.69534 8.661285 
1 1 1   21    3    5 o   34.346   2.1517  140.364   17.363  118.100   24.427  163.100   24.684   31.304   3.3569   36.932   2.8525 -5.628479 4.405201 
1 1 1   21    3    6 o   25.843   1.9421   79.556   11.765   89.700   16.675   69.500   16.602   27.359   2.6128   23.986   2.9965 3.373138 3.975677 
1 1 1   21    3    7 o  104.620   5.8547  1336.13  144.058  1528.60  203.710  1143.60  203.747  110.504   7.8580   94.479   9.2513 16.02585 12.13816 
1 1 1   21    3    8 o   68.343   3.9211  561.121   63.016  574.300   89.046  547.900   89.189   68.563   5.5475   66.897   5.7004 1.666626 7.954241 
1 1 1   21    3    9 o   24.472   1.9350   71.401   11.091   69.600   15.688   73.200   15.681   24.028   2.8186   24.663   2.7389 -0.6350079 3.930130 
1 1 1   21    3   10 o   56.804   3.3335  386.401   44.518  386.900   62.876  385.900   63.040   56.433   4.7628   56.353   4.7825 0.7979965E-01 6.749585 
1 1 1   21    3   11 o   62.091   3.5961  462.651   52.500  466.200   74.239  459.100   74.253   61.820   5.1321   61.327   5.1758 0.4923439 7.288800 
1 1 1   21    3   12 o   62.855   3.6494  474.519   53.932  487.100   76.214  461.900   76.329   63.161   5.1550   61.431   5.3141 1.729130 7.403688 
1 1 1   21    3   13 o  106.060   5.9435  1383.53  148.251  1505.40  209.675  1261.70  209.644  108.693   8.2303   98.667   9.1006 10.02599 12.27021 
1 1 1   21    3   14 o   54.306   3.2132  353.497   41.022  369.900   58.019  337.100   58.010   55.170   4.4925   52.572   4.7233 2.597969 6.518609 
1 1 1   21    3   15 o   47.635   2.8725  271.512   32.160  296.000   45.516  247.100   45.445   49.467   3.9290   45.052   4.3250 4.415096 5.843170 
1 1 1   21    3   16 o   48.731   2.9283  284.370   33.540  305.600   47.467  263.200   47.399   50.215   4.0372   46.473   4.3706 3.741840 5.949917 
1 1 1   21    3   17 o   79.648   4.5291  771.510   84.831  835.000  119.959  708.000  119.978   81.809   6.2571   74.894   6.8604 6.915520 9.285302 
1 1 1   21    3   18 o   38.723   2.4520  179.250   22.305  217.700   31.565  140.900   31.524   42.526   3.1660   33.940   4.0109 8.585384 5.109872 
1 1 1   21    3   19 o   63.698   3.6833  490.432   55.165  512.400   78.047  468.500   77.983   64.399   5.1761   61.424   5.4325 2.974777 7.503644 
1 1 1   21    3   20 o   27.327   1.8787   89.090   12.049  114.700   17.111   63.900   16.970   30.940   2.3598   22.854   3.2348 8.085461 4.004100 
1 1 1   21    3   21 o   38.622   2.4290  178.726   22.040  209.200   31.208  148.400   31.132   41.583   3.2028   34.782   3.8553 6.801823 5.012145 
1 1 1   21    3   22 o   26.355   1.9578   83.099   12.097   96.800   17.140   69.500   17.076   28.325   2.5913   23.838   3.1074 4.487001 4.046080 
1 1 1   21    3   23 o   34.048   2.3048  139.149   18.421  143.200   26.054  135.100   26.049   34.268   3.2590   33.242   3.3649 1.026463 4.684405 
1 1 1   21    3   24 o   27.036   1.9887   87.643   12.607   95.400   17.896   80.000   17.764   28.029   2.7389   25.572   2.9988 2.456854 4.061281 
1 1 1   21    3   25 o   37.613   2.3307  170.205   20.599  195.700   29.244  145.100   29.019   40.059   3.1161   34.252   3.6438 5.806499 4.794499 
1 1 1   21    3   26 o   24.899   1.9656   74.504   11.463   78.700   16.204   70.300   16.218   25.390   2.7464   23.925   2.9320 1.464373 4.017415 
1 1 1   21    3   27 o   27.764   1.9956   92.661   12.996  111.100   18.449   74.500   18.310   30.232   2.6099   24.507   3.2436 5.725140 4.163239 
1 1 1   21    3   28 o   24.063   1.7631   69.471   9.9483   81.200   14.179   58.100   13.961   25.875   2.3462   21.726   2.7856 4.149406 3.641968 
1 1 1   21    3   29 o   20.098   2.6583   49.700   12.306   49.700   12.306   0.0000   0.0000   20.098   2.6583  ?   ?  0.000000 2.658283 
1 1 1   21    3   30 o   35.654   3.4927  158.400   29.028  158.400   29.028   0.0000   0.0000   35.654   3.4927  ?   ?  0.000000 3.492672 
1 1 1   21    3   31 o   30.889   3.2313  118.500   23.220  118.500   23.220   0.0000   0.0000   30.889   3.2313  ?   ?  0.000000 3.231343 
1 1 1   21    3   32 o   32.667   3.3194  133.100   25.250  133.100   25.250   0.0000   0.0000   32.667   3.3194  ?   ?  0.000000 3.319415 
1 1 1   21    3   33 o   11.414   2.4498   16.400   6.4055   16.400   6.4055   0.0000   0.0000   11.414   2.4498  ?   ?  0.000000 2.449785 
1 1 1   21    3   34 o   23.960   2.8468   71.600   15.792   71.600   15.792   0.0000   0.0000   23.960   2.8468  ?   ?  0.000000 2.846832 
1 1 1   21    3   35 o   37.171   3.7861  178.500   32.768  178.500   32.768   0.0000   0.0000   37.171   3.7861  ?   ?  0.000000 3.786091 
1 1 1   21    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    3   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4    0 o   43.705   3.9566  232.400   40.064  232.400   40.064  232.400   40.064   43.705   3.9566   43.705   3.9566 0.000000 0.000000 
1 1 1   21    4    1 o   36.080   2.3534  155.033   19.940  143.500   28.179  166.600   28.221   34.519   3.5058   37.269   3.2390 -2.750042 4.772962 
1 1 1   21    4    2 o   22.706   1.8860   61.465   10.021   58.900   14.212   64.000   14.130   22.094   2.7861   23.069   2.6416 -0.9745312 3.839347 
1 1 1   21    4    3 o   41.937   2.5570  209.534   25.200  232.700   35.729  186.600   35.549   44.045   3.4632   39.327   3.8785 4.717407 5.199689 
1 1 1   21    4    4 o   37.242   2.3861  165.204   20.873  188.700   29.548  141.800   29.490   39.685   3.1798   34.265   3.7036 5.419773 4.881388 
1 1 1   21    4    5 o   74.591   4.2135  669.036   73.911  648.600  104.491  689.500  104.561   72.704   6.1439   75.063   5.9477 -2.359161 8.551174 
1 1 1   21    4    6 o   96.673   5.3635  1135.01  121.957  1176.90  172.556  1093.20  172.392   97.122   7.5841   93.380   7.8920 3.741997 10.94542 
1 1 1   21    4    7 o   8.7456   1.6554   9.3519   3.2935   8.8000   4.6658   9.9000   4.6496   8.4712   2.2815   8.9606   2.2110 -0.4893494 3.177086 
1 1 1   21    4    8 o   59.676   3.4612  426.587   48.565  422.000   68.583  431.200   68.780   58.907   4.9770   59.564   4.9344 -0.6573181 7.008543 
1 1 1   21    4    9 o   8.5975   1.6453   9.0428   3.2186   11.100   4.5599   7.0000   4.5438   9.4921   2.0909   7.6579   2.3158 1.834200 3.120012 
1 1 1   21    4   10 o   68.675   3.9182  567.087   63.277  631.700   89.497  502.500   89.479   71.968   5.3037   63.853   6.0049 8.114834 8.011745 
1 1 1   21    4   11 o   56.045   3.2996  376.253   43.474  420.600   61.480  331.900   61.484   58.932   4.4508   52.113   5.0601 6.818085 6.739007 
1 1 1   21    4   12 o   87.214   4.9174  923.969  100.857  963.200  142.599  884.700  142.668   87.862   6.9293   83.963   7.2674 3.899590 10.04146 
1 1 1   21    4   13 o  105.817   5.9408  1377.70  147.844  1397.40  209.098  1358.00  209.067  104.355   8.5608  102.733   8.6999 1.621742 12.20555 
1 1 1   21    4   14 o   51.950   3.1104  323.307   37.980  337.200   53.698  309.400   53.727   52.701   4.3540   50.398   4.5640 2.302483 6.307722 
1 1 1   21    4   15 o   76.981   4.3162  717.577   78.143  784.100  110.572  651.200  110.450   79.623   5.9233   72.159   6.5535 7.464149 8.833695 
1 1 1   21    4   16 o  112.139   6.1192  1558.71  161.424  1785.30  228.512  1333.00  228.065  117.780   8.2687  100.092   9.7741 17.68755 12.80249 
1 1 1   21    4   17 o   34.053   2.3069  138.508   18.440  143.700   26.059  133.300   26.098   34.500   3.2365   33.185   3.3776 1.315910 4.677970 
1 1 1   21    4   18 o   80.764   4.7604  797.760   90.385  882.300  127.591  712.600  128.058   83.722   6.5049   74.545   7.3715 9.177200 9.831258 
1 1 1   21    4   19 o   48.368   2.9367  280.847   33.383  296.400   47.214  265.300   47.206   49.319   4.0911   46.549   4.3448 2.769703 5.967752 
1 1 1   21    4   20 o   64.958   3.7652  511.643   57.507  579.100   81.331  444.200   81.322   68.406   5.0711   59.398   5.8750 9.008530 7.760893 
1 1 1   21    4   21 o   46.590   2.8022  260.969   30.686  299.900   43.442  222.200   43.351   49.622   3.7348   42.417   4.3918 7.205582 5.765108 
1 1 1   21    4   22 o   44.080   2.6430  233.565   27.384  276.400   38.788  191.000   38.665   47.670   3.4695   39.289   4.2345 8.381630 5.474400 
1 1 1   21    4   23 o   69.792   3.9691  597.864   65.142  689.600   92.193  506.400   92.056   73.877   5.3204   62.413   6.3340 11.46441 8.271989 
1 1 1   21    4   24 o   14.201   1.6349   24.287   5.3821   26.500   7.7248   22.200   7.5028   14.711   2.2990   13.403   2.4612 1.307418 3.367919 
1 1 1   21    4   25 o   28.987   2.0001  100.790   13.607  114.600   19.321   87.200   19.166   30.732   2.6895   26.651   3.1037 4.080894 4.106841 
1 1 1   21    4   26 o   8.6674   1.6517   9.2367   3.2571  10.0000   4.6476   8.5000   4.5660   8.9608   2.2102   8.2872   2.2675 0.6736641 3.166477 
1 1 1   21    4   27 o   60.446   3.6660  452.125   52.079  479.900   73.552  424.200   73.750   60.946   5.1592   56.891   5.5609 4.055187 7.585586 
1 1 1   21    4   28 o   7.7044   1.7083   7.3542   3.0265   5.7000   4.4316   8.8000   4.1431   7.0242   2.3091   8.4056   2.0949 -1.381428 3.117746 
1 1 1   21    4   29 o   8.6370   2.2556   9.3000   4.6503   9.3000   4.6503   0.0000   0.0000   8.6370   2.2556  ?   ?  0.000000 2.255577 
1 1 1   21    4   30 o   52.329   4.7544  353.500   58.109  353.500   58.109   0.0000   0.0000   52.329   4.7544  ?   ?  0.000000 4.754445 
1 1 1   21    4   31 o   29.426   3.1171  107.300   21.329  107.300   21.329   0.0000   0.0000   29.426   3.1171  ?   ?  0.000000 3.117090 
1 1 1   21    4   32 o   50.001   4.6148  324.500   53.872  324.500   53.872   0.0000   0.0000   50.001   4.6148  ?   ?  0.000000 4.614799 
1 1 1   21    4   33 o   14.429   2.5020   26.000   8.2160   26.000   8.2160   0.0000   0.0000   14.429   2.5020  ?   ?  0.000000 2.501992 
1 1 1   21    4   34 o   31.623   3.2991  126.200   24.273  126.200   24.273   0.0000   0.0000   31.623   3.2991  ?   ?  0.000000 3.299119 
1 1 1   21    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    4   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5    0 o   67.880   5.6306  562.100   88.824  562.100   88.824  562.100   88.824   67.880   5.6306   67.880   5.6306 0.000000 0.000000 
1 1 1   21    5    1 o   33.976   2.2891  137.498   18.258  141.200   25.826  133.800   25.816   34.286   3.2280   33.350   3.3223 0.9357147 4.632215 
1 1 1   21    5    2 o   43.253   2.6933  223.075   27.372  225.600   38.902  220.600   38.520   43.280   3.8465   42.793   3.8533 0.4875145 5.444599 
1 1 1   21    5    3 o   71.420   3.9175  611.866   65.816  551.000   92.900  673.200   93.256   67.082   5.9257   74.435   5.3412 -7.353203 7.977602 
1 1 1   21    5    4 o   31.699   2.1734  119.679   16.170  128.900   22.894  110.500   22.842   32.782   2.9905   30.286   3.2445 2.495489 4.412455 
1 1 1   21    5    5 o   40.177   2.5522  192.449   24.087  197.500   34.067  187.400   34.062   40.512   3.5986   39.433   3.7014 1.079411 5.162377 
1 1 1   21    5    6 o   72.624   4.1144  634.243   70.268  660.900   99.388  607.600   99.360   73.504   5.7725   70.345   6.0402 3.159630 8.354998 
1 1 1   21    5    7 o   73.112   4.1409  643.144   71.197  610.800  100.678  675.500  100.698   70.474   6.1104   74.286   5.7862 -3.812180 8.415235 
1 1 1   21    5    8 o   97.107   5.4156  1147.64  123.688  1116.70  174.895  1178.60  174.949   94.197   7.9367   96.958   7.7048 -2.760368 11.06145 
1 1 1   21    5    9 o   70.763   4.0367  602.459   67.172  609.600   94.939  595.300   95.053   70.514   5.7518   69.641   5.8339 0.8738480 8.192544 
1 1 1   21    5   10 o   34.528   2.3197  142.150   18.803  141.800   26.583  142.500   26.601   34.310   3.3228   34.397   3.3162 -0.8696365E-01 4.694439 
1 1 1   21    5   11 f   26.646   2.0094   84.653   12.550   88.400   17.743   80.900   17.755   27.110   2.8126   25.895   2.9566 1.214081 4.080705 
1 1 1   21    5   12 o   55.210   3.2567  365.246   42.269  364.000   59.685  366.500   59.871   54.697   4.6656   54.887   4.6636 -0.1896400 6.596775 
1 1 1   21    5   13 o   68.437   3.8960  564.165   62.701  619.000   88.700  509.400   88.644   71.101   5.3216   64.192   5.9145 6.909019 7.956171 
1 1 1   21    5   14 o   74.726   4.2608  675.365   74.873  702.900  105.857  647.800  105.917   75.376   5.9969   72.189   6.2759 3.187737 8.680455 
1 1 1   21    5   15 o   40.280   2.5350  193.813   23.989  215.500   33.955  172.200   33.897   42.285   3.4301   37.659   3.8666 4.625935 5.168748 
1 1 1   21    5   16 o   86.593   4.6702  912.386   95.142  1077.10  134.721  748.500  134.383   93.106   6.1625   76.610   7.5255 16.49603 9.726749 
1 1 1   21    5   17 o   9.9661   1.6276   12.072   3.6981   14.800   5.3632   9.6000   5.1062   10.975   2.1463   8.8366   2.3896 2.138505 3.211998 
1 1 1   21    5   18 f   19.941   1.7955   47.545   8.3636   49.700   11.841   45.400   11.815   20.270   2.5289   19.334   2.6582 0.9352970 3.668925 
1 1 1   21    5   19 o   51.905   3.0623  323.793   37.367  362.400   52.884  285.300   52.806   54.538   4.1373   48.130   4.7065 6.407425 6.266484 
1 1 1   21    5   20 o   24.103   1.8410   69.387   10.399   82.200   14.772   56.800   14.641   26.145   2.4201   21.581   2.9503 4.564295 3.815915 
1 1 1   21    5   21 o   20.650   1.8067   51.043   8.7214   56.700   12.341   45.400   12.327   21.655   2.4570   19.275   2.7893 2.379303 3.717077 
1 1 1   21    5   22 o   30.917   2.1509  114.511   15.605  122.700   22.121  106.400   22.016   31.803   2.9804   29.532   3.2086 2.270950 4.379296 
1 1 1   21    5   23 f   51.118   3.0676  316.510   36.857  333.600   52.186  299.500   52.063   51.867   4.2996   48.987   4.5528 2.880154 6.262175 
1 1 1   21    5   24 o   38.083   2.4445  174.654   21.867  202.100   30.950  147.300   30.898   40.684   3.2488   34.450   3.8649 6.233528 5.048947 
1 1 1   21    5   25 o   6.1066   1.6871   4.5732   2.5134   3.0000   3.7971   5.8000   3.3531   5.6984   2.1166   6.8870   1.9652 -1.188619 2.888211 
1 1 1   21    5   26 o   24.364   1.9292   71.331   11.009   81.400   15.583   61.300   15.554   25.867   2.5859   22.280   3.0355 3.586866 3.987591 
1 1 1   21    5   27 o   19.194   1.7352   44.287   7.7796   51.700   11.088   37.100   10.918   20.617   2.3177   17.306   2.7646 3.310772 3.607639 
1 1 1   21    5   28 o   14.607   1.5893   25.709   5.3934   29.700   7.7175   21.900   7.5404   15.593   2.1535   13.269   2.4983 2.324250 3.298316 
1 1 1   21    5   29 o   46.319   2.6462  260.619   28.823  309.100   40.881  212.700   40.643   49.953   3.4877   40.915   4.2697 9.037979 5.513050 
1 1 1   21    5   30 o   28.125   3.0399   97.700   19.867   97.700   19.867   0.0000   0.0000   28.125   3.0399  ?   ?  0.000000 3.039869 
1 1 1   21    5   31 o   44.831   4.1844  255.900   43.785  255.900   43.785   0.0000   0.0000   44.831   4.1844  ?   ?  0.000000 4.184388 
1 1 1   21    5   32 o   24.084   2.8448   71.800   15.866   71.800   15.866   0.0000   0.0000   24.084   2.8448  ?   ?  0.000000 2.844759 
1 1 1   21    5   33 o   18.083   2.5758   40.600   10.688   40.600   10.688   0.0000   0.0000   18.083   2.5758  ?   ?  0.000000 2.575799 
1 1 1   21    5   34 o   52.581   4.9725  373.300   61.007  373.300   61.007   0.0000   0.0000   52.581   4.9725  ?   ?  0.000000 4.972496 
1 1 1   21    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    5   47 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6    0 o   37.095   3.5391  167.700   30.353  167.700   30.353  167.700   30.353   37.095   3.5391   37.095   3.5391 0.000000 0.000000 
1 1 1   21    6    1 o   34.996   2.3045  145.880   18.938  122.700   26.770  169.100   26.794   31.859   3.6228   37.575   3.0460 -5.715120 4.733142 
1 1 1   21    6    2 o   37.051   2.3899  163.554   20.798  174.200   29.477  153.000   29.349   38.091   3.3100   35.636   3.5343 2.454659 4.842264 
1 1 1   21    6    3 o   30.255   2.1315  109.041   15.131   91.100   21.393  127.000   21.404   27.441   3.3725   32.565   2.8110 -5.124878 4.390400 
1 1 1   21    6    4 o   41.054   2.5147  200.861   24.261  169.100   34.263  232.800   34.358   37.387   3.9403   44.065   3.3265 -6.677536 5.156712 
1 1 1   21    6    5 o   69.647   3.9705  582.749   65.030  599.200   91.968  566.300   91.964   70.037   5.6079   68.005   5.7817 2.032730 8.054632 
1 1 1   21    6    6 o   30.720   2.1464  112.436   15.472  126.200   21.892   98.700   21.869   32.443   2.8878   28.585   3.3007 3.858244 4.385627 
1 1 1   21    6    7 o   54.426   3.0677  353.939   39.265  407.500   55.613  300.700   55.445   58.158   4.0753   49.717   4.7817 8.440395 6.282734 
1 1 1   21    6    8 o   48.067   2.9095  275.996   32.868  273.100   46.451  278.900   46.514   47.521   4.1821   48.037   4.1410 -0.5167427 5.885431 
1 1 1   21    6    9 o   68.295   3.8849  560.678   62.392  581.900   88.281  539.500   88.190   68.990   5.4637   66.319   5.6864 2.670708 7.885850 
1 1 1   21    6   10 o   62.569   3.6152  469.899   53.186  453.600   75.214  486.200   75.218   60.909   5.2817   63.152   5.0871 -2.242214 7.333156 
1 1 1   21    6   11 o   16.088   1.6581   30.971   6.2089   35.400   8.8101   26.600   8.7517   17.128   2.2312   14.742   2.6096 2.386294 3.433382 
1 1 1   21    6   12 o   64.472   3.7534  499.996   56.895  541.700   80.418  458.200   80.506   66.584   5.1549   60.997   5.6536 5.587193 7.650877 
1 1 1   21    6   13 o   41.497   2.6273  205.709   25.611  236.900   36.215  174.500   36.225   44.356   3.4856   37.870   4.1172 6.486149 5.394552 
1 1 1   21    6   14 o   72.525   4.1335  635.645   70.496  660.100   99.707  611.200   99.686   73.099   5.8247   70.189   6.0745 2.910469 8.415812 
1 1 1   21    6   15 o   47.986   2.8086  275.438   31.685  332.900   44.874  218.300   44.747   52.550   3.6386   42.232   4.5593 10.31817 5.833273 
1 1 1   21    6   16 o   13.749   1.6582   22.720   5.2747   18.200   7.4349   27.300   7.4846   12.127   2.6688   15.007   2.1756 -2.880149 3.443155 
1 1 1   21    6   17 o   38.609   2.4030  178.093   21.800  205.300   30.920  151.200   30.741   41.286   3.1964   35.253   3.7504 6.033241 4.927721 
1 1 1   21    6   18 o   34.684   2.3141  143.789   18.844  172.200   26.655  115.400   26.644   37.821   3.0094   30.730   3.7495 7.090611 4.807871 
1 1 1   21    6   19 o   30.419   2.1539  110.600   15.372  127.700   21.739   93.500   21.739   32.556   2.8567   27.692   3.3956 4.864008 4.437432 
1 1 1   21    6   20 o   26.699   2.0306   85.267   12.706   91.700   17.946   78.800   17.993   27.540   2.7984   25.449   3.0551 2.090969 4.143023 
1 1 1   21    6   21 f   48.782   2.9790  286.909   34.151  317.200   48.290  256.600   48.304   50.865   4.0542   45.493   4.5579 5.371830 6.100064 
1 1 1   21    6   22 o  104.163   5.8701  1381.92  143.797  1601.10  203.512  1163.40  203.208  108.880   7.9709   90.121   9.7017 18.75846 12.55623 
1 1 1   21    6   23 o   36.342   2.3873  158.778   20.373  189.000   28.822  128.600   28.801   39.424   3.1216   32.211   3.8637 7.213013 4.967104 
1 1 1   21    6   24 o   19.896   1.6818   47.425   7.8274   57.900   11.165   37.300   10.977   21.898   2.1886   17.393   2.7652 4.504761 3.526456 
1 1 1   21    6   25 o   36.269   2.3315  158.408   19.863  179.100   28.153  137.900   28.028   38.280   3.1423   33.370   3.6146 4.909863 4.789504 
1 1 1   21    6   26 o   60.175   3.6659  447.367   51.842  497.600   73.231  396.900   73.401   62.296   5.0208   54.942   5.7425 7.353455 7.627891 
1 1 1   21    6   27 o   3.8769   1.3995   1.4854   1.6415   0.1000   2.4016   2.7000   2.2487   3.7309   1.5790   4.9115   1.6459 -1.180622 2.280859 
1 1 1   21    6   28 o   52.035   2.9342  330.447   35.906  399.700   50.909  261.900   50.650   56.611   3.8309   45.063   4.8354 11.54795 6.169026 
1 1 1   21    6   29 o   43.427   2.4230  228.189   24.748  281.400   35.170  176.000   34.830   47.864   3.1289   37.329   4.0144 10.53437 5.089793 
1 1 1   21    6   30 o   35.428   3.4790  156.400   28.730  156.400   28.730   0.0000   0.0000   35.428   3.4790  ?   ?  0.000000 3.479040 
1 1 1   21    6   31 o   19.807   2.6437   48.400   12.056   48.400   12.056   0.0000   0.0000   19.807   2.6437  ?   ?  0.000000 2.643738 
1 1 1   21    6   32 o   26.576   2.9554   87.600   18.232   87.600   18.232   0.0000   0.0000   26.576   2.9554  ?   ?  0.000000 2.955352 
1 1 1   21    6   33 o   18.573   2.6954   43.000   11.476   43.000   11.476   0.0000   0.0000   18.573   2.6954  ?   ?  0.000000 2.695395 
1 1 1   21    6   34 o   8.0269   2.3563   8.0000   4.7590   8.0000   4.7590   0.0000   0.0000   8.0269   2.3563  ?   ?  0.000000 2.356341 
1 1 1   21    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    6   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7    0 o   86.834   7.0725  927.100  142.806  927.100  142.806  927.100  142.806   86.834   7.0725   86.834   7.0725 0.000000 0.000000 
1 1 1   21    7    1 o   94.469   5.2735  1082.95  117.169  1075.90  165.735  1090.00  165.669   92.812   7.6297   93.460   7.5719 -0.6474991 10.74921 
1 1 1   21    7    2 o   40.104   2.5353  191.735   23.886  183.500   33.749  200.000   33.811   39.014   3.7079   40.779   3.5465 -1.765205 5.130943 
1 1 1   21    7    3 o   24.552   1.9335   71.849   11.119   70.300   15.721   73.400   15.728   24.156   2.8086   24.700   2.7429 -0.5447807 3.925764 
1 1 1   21    7    4 o   58.348   3.1959  406.911   43.865  499.000   62.116  315.300   61.954   64.389   4.1068   50.791   5.2409 13.59797 6.658287 
1 1 1   21    7    5 o   56.914   3.3191  387.635   44.413  416.200   62.826  359.100   62.793   58.637   4.5736   54.324   4.9494 4.312504 6.738996 
1 1 1   21    7    6 o  104.213   5.8142  1326.90  142.508  1343.40  201.520  1310.40  201.553  103.053   8.3531  101.678   8.4717 1.375389 11.89719 
1 1 1   21    7    7 o   44.115   2.7342  232.302   28.342  218.900   40.085  245.700   40.080   42.543   4.0385   45.154   3.7942 -2.610077 5.541231 
1 1 1   21    7    8 o   28.750   2.0129   98.458   13.579  112.500   19.268   84.600   19.141   30.644   2.6899   26.463   3.1233 4.180750 4.122009 
1 1 1   21    7    9 o  112.666   6.1856  1561.03  163.935  1695.90  231.985  1426.50  231.693  115.369   8.5768  104.952   9.4503 10.41736 12.76201 
1 1 1   21    7   10 f   96.360   5.3786  1132.68  121.896  1159.50  172.451  1105.90  172.325   95.930   7.6772   93.522   7.8765 2.408340 10.99900 
1 1 1   21    7   11 o  129.297   7.3147  2094.01  222.413  2076.60  314.591  2111.40  314.489  124.668   10.793  125.859   10.683 -1.191200 15.18566 
1 1 1   21    7   12 o   23.846   1.8746   67.815   10.471   72.400   14.866   63.300   14.750   24.535   2.6058   22.890   2.7864 1.644199 3.814963 
1 1 1   21    7   13 o   51.391   3.0689  316.341   37.073  352.100   52.435  280.600   52.422   53.920   4.1502   47.927   4.6922 5.992859 6.264215 
1 1 1   21    7   14 o   35.329   2.3548  149.001   19.532  151.900   27.620  146.100   27.626   35.479   3.3360   34.773   3.4083 0.7061920 4.769181 
1 1 1   21    7   15 o   96.460   5.3156  1140.81  120.609  1307.30  170.663  974.700  170.472  101.792   7.1454   86.752   8.4281 15.03993 11.04941 
1 1 1   21    7   16 o   76.412   4.3268  708.770   77.750  790.700  109.976  626.900  109.936   79.819   5.8761   70.526   6.6809 9.293327 8.897398 
1 1 1   21    7   17 o   81.120   4.5401  802.209   86.618  945.200  122.535  659.400  122.457   87.077   5.9958   71.725   7.3333 15.35217 9.472473 
1 1 1   21    7   18 o   19.003   1.7802   43.212   7.8951   50.800   11.157   35.600   11.174   20.527   2.3437   17.031   2.8812 3.496031 3.714062 
1 1 1   21    7   19 o   37.162   2.4262  165.335   21.174  180.900   29.959  149.800   29.930   38.657   3.3140   35.050   3.6707 3.606380 4.945360 
1 1 1   21    7   20 o   56.207   3.3352  381.952   44.068  413.500   62.320  350.400   62.324   57.894   4.5964   53.037   5.0368 4.856403 6.818830 
1 1 1   21    7   21 o   43.424   2.6152  226.541   26.692  262.700   37.832  190.700   37.665   46.479   3.4720   39.320   4.1176 7.158962 5.386066 
1 1 1   21    7   22 o   35.273   2.3616  149.402   19.556  158.500   27.654  140.300   27.660   36.062   3.2835   33.834   3.5133 2.228321 4.808763 
1 1 1   21    7   23 o   21.223   1.7281   53.931   8.5850   65.300   12.234   42.900   12.051   23.262   2.2555   18.677   2.8203 4.584982 3.611274 
1 1 1   21    7   24 o   22.809   1.8189   62.369   9.7153   72.100   13.797   52.800   13.682   24.399   2.4270   20.728   2.8725 3.670340 3.760564 
1 1 1   21    7   25 o   34.288   2.2836  141.569   18.384  164.200   26.045  119.100   25.952   36.675   3.0347   30.975   3.6162 5.699690 4.720817 
1 1 1   21    7   26 o   18.991   1.6761   43.294   7.4392   56.700   10.667   30.600   10.380   21.659   2.1125   15.650   2.9161 6.008880 3.600863 
1 1 1   21    7   27 o   43.466   2.7589  229.809   28.170  262.800   39.834  196.800   39.845   45.969   3.7010   39.354   4.3610 6.615025 5.719769 
1 1 1   21    7   28 o   17.095   1.6255   35.135   6.4826   42.100   9.2456   28.400   9.0918   18.614   2.1426   15.116   2.6433 3.497428 3.402629 
1 1 1   21    7   29 o   32.002   2.1660  123.595   16.272  136.000   23.111  111.400   22.915   33.269   2.9731   29.951   3.2945 3.318201 4.437671 
1 1 1   21    7   30 o   15.483   1.4984   28.814   5.4099   37.600   7.8588   20.900   7.4584   17.619   1.9201   12.933   2.5329 4.685620 3.178363 
1 1 1   21    7   31 o   40.921   3.8814  211.500   37.057  211.500   37.057   0.0000   0.0000   40.921   3.8814  ?   ?  0.000000 3.881380 
1 1 1   21    7   32 o   9.5210   2.3493   11.400   5.2494   11.400   5.2494   0.0000   0.0000   9.5210   2.3493  ?   ?  0.000000 2.349288 
1 1 1   21    7   33 o   12.173   2.4095   18.600   6.6808   18.600   6.6808   0.0000   0.0000   12.173   2.4095  ?   ?  0.000000 2.409527 
1 1 1   21    7   34 o   55.369   5.3067  422.800   68.534  422.800   68.534   0.0000   0.0000   55.369   5.3067  ?   ?  0.000000 5.306735 
1 1 1   21    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    7   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8    0 o  142.925   11.744  2608.20  390.194  2608.20  390.194  2608.20  390.194  142.925   11.744  142.925   11.744 0.000000 0.000000 
1 1 1   21    8    1 o   43.952   2.6426  230.355   27.299  201.800   38.543  259.100   38.671   40.845   4.0496   46.446   3.5529 -5.601250 5.387220 
1 1 1   21    8    2 o   67.502   3.7327  546.489   59.266  615.800   83.913  477.500   83.718   71.232   5.0209   62.412   5.7450 8.819313 7.629863 
1 1 1   21    8    3 o   24.795   1.9044   73.256   11.065   63.000   15.615   83.600   15.682   22.820   2.9680   26.410   2.5461 -3.590446 3.910516 
1 1 1   21    8    4 o   30.544   2.0872  111.113   14.964  125.400   21.228   97.000   21.098   32.352   2.8065   28.351   3.2079 4.000929 4.262314 
1 1 1   21    8    5 o  101.940   5.6639  1267.77  135.802  1326.00  192.106  1209.60  192.001  102.661   7.9874   97.710   8.4033 4.951004 11.59369 
1 1 1   21    8    6 o   81.207   4.5683  796.646   87.244  804.200  123.415  789.100  123.349   80.651   6.5365   79.851   6.6010 0.8004150 9.289729 
1 1 1   21    8    7 o   47.105   2.7536  264.826   30.496  234.500   43.006  295.500   43.252   43.997   4.1900   49.556   3.7233 -5.558147 5.605299 
1 1 1   21    8    8 o   15.300   1.6821   28.050   5.9771   28.300   8.4479   27.800   8.4578   15.251   2.4271   15.108   2.4550 0.1432419 3.452210 
1 1 1   21    8    9 o   93.915   5.2217  1073.90  115.342  990.500  163.067  1157.40  163.169   88.492   7.8863   96.196   7.2362 -7.703682 10.70315 
1 1 1   21    8   10 o   57.097   3.3526  390.856   45.004  399.200   63.623  382.500   63.667   57.274   4.7471   56.015   4.8616 1.259224 6.794812 
1 1 1   21    8   11 f   57.570   3.2665  397.175   44.223  457.400   62.607  337.200   62.476   61.458   4.3419   52.460   5.1082 8.997650 6.704145 
1 1 1   21    8   12 o   14.732   1.6597   26.029   5.6732   27.500   8.0810   24.600   7.9665   15.037   2.3529   14.184   2.4681 0.8531294 3.409967 
1 1 1   21    8   13 o   80.224   4.5109  780.667   85.107  817.700  120.413  743.700  120.305   81.079   6.3397   77.093   6.6745 3.986824 9.205469 
1 1 1   21    8   14 o   89.002   5.0485  967.538  105.665  1011.10  149.367  923.900  149.499   89.542   7.1232   85.281   7.5000 4.260826 10.34358 
1 1 1   21    8   15 o   31.830   2.2276  120.970   16.638  135.600   23.513  106.300   23.545   33.565   2.9981   29.590   3.4335 3.974611 4.558252 
1 1 1   21    8   16 o   48.645   2.9347  283.725   33.553  277.800   47.158  289.800   47.750   47.745   4.2265   48.787   4.1854 -1.041969 5.948208 
1 1 1   21    8   17 o   46.839   2.8941  263.179   31.853  279.300   45.007  247.000   45.087   47.916   4.0147   44.942   4.3009 2.973755 5.883545 
1 1 1   21    8   18 o   67.532   3.8830  552.872   61.661  629.300   87.218  476.500   87.186   71.336   5.2138   61.522   6.0810 9.813614 8.010131 
1 1 1   21    8   19 o   22.482   1.8660   60.444   9.8168   66.500   13.890   54.400   13.876   23.467   2.5476   21.133   2.8536 2.334114 3.825348 
1 1 1   21    8   20 o   20.184   1.7691   48.753   8.3466   55.500   11.845   42.100   11.763   21.437   2.3802   18.552   2.7700 2.884752 3.652103 
1 1 1   21    8   21 o   34.302   2.2434  140.997   18.071  168.400   25.605  113.800   25.508   37.316   2.9293   30.425   3.6216 6.890854 4.658004 
1 1 1   21    8   22 o   20.399   1.7856   49.871   8.5143   56.300   12.068   43.500   12.014   21.560   2.4118   18.831   2.7859 2.729462 3.684857 
1 1 1   21    8   23 o   24.608   1.9359   72.638   11.158   79.700   15.794   65.600   15.767   25.616   2.6493   23.132   2.9539 2.483648 3.967895 
1 1 1   21    8   24 o   28.905   1.9960  100.218   13.541  118.700   19.219   82.000   19.081   31.300   2.6245   25.803   3.2004 5.497227 4.138875 
1 1 1   21    8   25 o   5.4002   1.6346   3.4920   2.2631   2.6000   3.2826   4.3000   3.1243   5.3037   1.9684   6.0626   1.9346 -0.7589359 2.759898 
1 1 1   21    8   26 o   22.718   1.7783   61.935   9.4636   82.800   13.470   41.600   13.298   26.186   2.1988   18.221   3.2080 7.964788 3.889192 
1 1 1   21    8   27 o   26.838   2.0661   86.790   12.993   93.400   18.320   80.100   18.430   27.604   2.8517   25.444   3.1337 2.159636 4.237013 
1 1 1   21    8   28 o   17.321   1.6640   36.098   6.7225   42.000   9.5921   30.400   9.4242   18.568   2.2324   15.650   2.6444 2.917894 3.460685 
1 1 1   21    8   29 o   20.130   1.6777   48.678   7.9020   59.700   11.292   38.100   11.062   22.185   2.1838   17.517   2.7661 4.668730 3.524230 
1 1 1   21    8   30 o   19.725   1.6950   46.795   7.8181   54.400   11.135   39.400   10.980   21.136   2.2663   17.830   2.6918 3.306135 3.518783 
1 1 1   21    8   31 o   19.499   1.5462   45.623   7.0609   59.400   10.149   32.700   9.8297   22.168   1.9590   16.208   2.6608 5.960253 3.304143 
1 1 1   21    8   32 o   32.239   3.3173  130.300   24.893  130.300   24.893   0.0000   0.0000   32.239   3.3173  ?   ?  0.000000 3.317255 
1 1 1   21    8   33 f   23.329   2.8196   67.800   15.217   67.800   15.217   0.0000   0.0000   23.329   2.8196  ?   ?  0.000000 2.819554 
1 1 1   21    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    8   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9    0 o   72.346   5.9701  640.500  100.392  640.500  100.392  640.500  100.392   72.346   5.9701   72.346   5.9701 0.000000 0.000000 
1 1 1   21    9    1 o  102.377   5.6963  1278.73  137.163  1245.50  193.907  1312.00  194.048   99.226   8.3535  102.039   8.1206 -2.813255 11.65009 
1 1 1   21    9    2 o   26.972   2.0085   86.692   12.701   84.000   17.935   89.400   17.988   26.409   2.9252   27.270   2.8347 -0.8612041 4.073387 
1 1 1   21    9    3 o   44.013   2.6578  231.075   27.493  259.000   38.934  203.300   38.829   46.422   3.5794   40.983   4.0659 5.438454 5.416941 
1 1 1   21    9    4 o  118.618   6.3504  1729.94  177.229  1910.70  251.027  1550.30  250.252  122.558   8.7310  109.338   9.7966 13.22016 13.12266 
1 1 1   21    9    5 o   59.311   3.3949  421.338   47.350  477.600   67.001  365.200   66.926   62.815   4.5478   54.654   5.2504 8.161560 6.946144 
1 1 1   21    9    6 o   42.863   2.6797  219.301   26.986  218.700   38.188  219.900   38.141   42.562   3.8411   42.683   3.8247 -0.1216545 5.420528 
1 1 1   21    9    7 o  121.103   6.7394  1816.08  191.963  1716.70  271.379  1915.60  271.574  114.445   10.147  121.624   9.5323 -7.179543 13.92229 
1 1 1   21    9    8 o   41.771   2.5727  208.191   25.252  233.500   35.754  183.000   35.671   44.065   3.4640   38.867   3.9411 5.198837 5.247076 
1 1 1   21    9    9 f   69.221   3.9556  576.998   64.388  590.100   91.064  563.900   91.052   69.331   5.6104   67.701   5.7499 1.630486 8.033534 
1 1 1   21    9   10 o   58.988   3.4233  417.484   47.479  448.000   67.163  387.000   67.128   60.686   4.7240   56.236   5.1109 4.450485 6.959695 
1 1 1   21    9   11 o   53.674   3.1735  345.185   40.043  328.700   56.605  361.700   56.655   51.933   4.6656   54.576   4.4346 -2.642780 6.436854 
1 1 1   21    9   12 f   16.128   1.7016   31.157   6.3828   29.500   9.0449   32.800   9.0084   15.548   2.5521   16.444   2.3899 -0.8956003 3.496398 
1 1 1   21    9   13 o   72.281   4.0941  631.352   69.592  653.700   98.525  609.100   98.311   72.737   5.7840   70.081   5.9986 2.656502 8.332950 
1 1 1   21    9   14 o   30.565   2.1271  111.464   15.257  121.600   21.616  101.400   21.538   31.793   2.9116   28.948   3.2046 2.845072 4.329746 
1 1 1   21    9   15 o   77.572   4.2929  730.165   78.330  799.400  110.883  661.200  110.666   80.239   5.8934   72.533   6.5313 7.706490 8.797180 
1 1 1   21    9   16 o   53.474   3.1197  343.432   39.221  383.000   55.515  304.000   55.420   56.096   4.2220   49.729   4.7783 6.367470 6.376301 
1 1 1   21    9   17 o   75.689   4.3192  697.531   76.876  763.600  108.736  631.500  108.704   78.175   5.9347   70.600   6.5969 7.575134 8.873530 
1 1 1   21    9   18 o   32.064   2.2355  122.964   16.820  133.800   23.771  112.100   23.802   33.273   3.0597   30.352   3.3783 2.921619 4.557954 
1 1 1   21    9   19 o   76.906   4.3725  724.883   79.078  809.100  111.878  640.800  111.789   80.033   5.9627   70.497   6.7997 9.536140 9.043783 
1 1 1   21    9   20 o   28.450   2.0522   96.862   13.694  115.900   19.386   77.900   19.347   30.998   2.6746   25.202   3.3328 5.796120 4.273270 
1 1 1   21    9   21 o   39.576   2.5525  188.354   23.727  211.100   33.552  165.600   33.557   41.606   3.4461   36.633   3.9413 4.972488 5.235417 
1 1 1   21    9   22 o   62.008   3.5781  469.819   52.169  542.400   73.846  397.500   73.712   65.787   4.7864   55.606   5.6940 10.18068 7.438550 
1 1 1   21    9   23 o   35.244   2.3848  149.572   19.731  166.200   27.885  132.900   27.922   36.869   3.2357   32.775   3.6709 4.094406 4.893386 
1 1 1   21    9   24 o   17.079   1.6453   35.022   6.5533   41.600   9.3611   28.700   9.1773   18.520   2.1824   15.230   2.6480 3.290715 3.431474 
1 1 1   21    9   25 o   13.267   1.6672   21.286   5.1079   23.900   7.2428   18.700   7.2047   13.941   2.2789   12.237   2.5749 1.704295 3.438514 
1 1 1   21    9   26 o   35.858   2.3951  155.386   20.164  186.700   28.522  124.100   28.510   39.018   3.1218   31.410   3.9299 7.608477 5.018926 
1 1 1   21    9   27 o   70.309   4.1901  621.455   69.249  711.500   97.930  531.400   97.936   73.406   5.6942   62.043   6.7960 11.36339 8.866193 
1 1 1   21    9   28 o   13.888   1.6075   23.287   5.1743   27.900   7.4558   19.000   7.1867   15.101   2.1517   12.323   2.5536 2.777838 3.339248 
1 1 1   21    9   29 o   7.0439   1.5128   6.1326   2.4412   11.100   3.5550   1.7000   3.3582   9.5161   1.6413   4.9606   1.9527 4.555523 2.550890 
1 1 1   21    9   30 o   63.400   3.6316  501.067   54.143  573.200   76.694  429.400   76.446   66.383   4.9277   56.408   5.8229 9.975170 7.628160 
1 1 1   21    9   31 o   15.541   1.5903   29.121   5.7539   34.200   8.2900   24.400   7.9926   16.723   2.1491   13.987   2.5122 2.735260 3.306030 
1 1 1   21    9   32 o   19.854   1.6825   47.514   7.8138   54.700   11.159   40.600   10.945   21.145   2.2704   18.064   2.6441 3.080423 3.485139 
1 1 1   21    9   33 o   35.676   3.5564  161.900   29.561  161.900   29.561   0.0000   0.0000   35.676   3.5564  ?   ?  0.000000 3.556377 
1 1 1   21    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21    9   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10    0 o   60.573   5.1143  447.700   71.952  447.700   71.952  447.700   71.952   60.573   5.1143   60.573   5.1143 0.000000 0.000000 
1 1 1   21   10    1 o   40.421   2.5615  194.895   24.323  205.600   34.405  184.200   34.391   41.329   3.5601   39.055   3.7762 2.274376 5.189816 
1 1 1   21   10    2 o  119.506   6.6718  1763.98  187.525  1817.40  265.259  1710.60  265.143  118.630   9.5501  114.731   9.8832 3.899391 13.74341 
1 1 1   21   10    3 o   24.408   1.9211   71.028   10.983   76.100   15.567   66.000   15.499   25.163   2.6602   23.378   2.8676 1.784939 3.911520 
1 1 1   21   10    4 o   44.604   2.7549  237.550   28.874  235.900   40.835  239.200   40.835   44.188   3.9553   44.506   3.9257 -0.3175850 5.572722 
1 1 1   21   10    5 o   93.313   5.2352  1059.41  114.889  1024.90  162.510  1093.90  162.445   90.247   7.6994   93.454   7.4222 -3.206718 10.69442 
1 1 1   21   10    6 o   38.470   2.4819  176.550   22.425  158.100   31.714  195.000   31.714   36.144   3.7714   40.271   3.3658 -4.127728 5.054924 
1 1 1   21   10    7 f   59.508   3.4069  424.536   47.675  482.600   67.460  366.600   67.386   63.094   4.5586   54.694   5.2833 8.400311 6.978150 
1 1 1   21   10    8 o   23.900   1.8842   68.118   10.548   75.200   14.951   61.100   14.883   25.020   2.5669   22.472   2.8703 2.548464 3.850682 
1 1 1   21   10    9 o   88.167   4.9241  945.001  102.107  1005.50  144.459  884.600  144.342   89.757   6.8679   83.821   7.3673 5.935974 10.07199 
1 1 1   21   10   10 o   71.724   3.9968  620.147   67.423  702.000   95.410  538.500   95.290   75.712   5.3715   65.866   6.1996 9.845757 8.202934 
1 1 1   21   10   11 o   56.548   3.1938  383.245   42.473  438.000   60.151  328.800   59.981   60.127   4.2642   51.810   4.9634 8.316559 6.543624 
1 1 1   21   10   12 o   49.041   2.9434  287.922   33.928  302.800   48.027  273.100   47.936   49.977   4.1059   47.375   4.3330 2.601711 5.969334 
1 1 1   21   10   13 o   53.007   3.1237  336.911   38.925  373.000   55.079  300.900   55.019   55.435   4.2398   49.577   4.7582 5.858166 6.373074 
1 1 1   21   10   14 o   57.448   3.2174  396.170   43.470  460.900   61.562  331.800   61.390   61.609   4.2577   51.914   5.0727 9.694839 6.622710 
1 1 1   21   10   15 o   43.896   2.6577  230.579   27.418  265.600   38.815  195.700   38.737   46.894   3.5312   40.029   4.1588 6.864975 5.455716 
1 1 1   21   10   16 o   50.915   2.9728  311.101   35.586  351.300   50.420  271.200   50.233   53.775   3.9993   46.998   4.5848 6.777477 6.083949 
1 1 1   21   10   17 o   41.630   2.5206  207.408   24.661  237.800   34.959  177.300   34.795   44.363   3.3621   38.104   3.9232 6.259441 5.166741 
1 1 1   21   10   18 o   61.651   3.5847  460.319   51.962  509.700   73.508  411.000   73.461   64.210   4.8847   57.279   5.4989 6.931587 7.355156 
1 1 1   21   10   19 o   50.857   2.9258  311.377   34.988  377.300   49.584  246.000   49.378   55.645   3.7962   44.459   4.7784 11.18647 6.102813 
1 1 1   21   10   20 o   34.821   2.3329  145.437   19.071  164.600   26.979  126.300   26.962   36.831   3.1319   32.075   3.6232 4.755470 4.789191 
1 1 1   21   10   21 o   56.249   3.3264  384.462   43.986  417.300   62.242  351.700   62.170   57.886   4.5912   52.831   5.0447 5.054855 6.821202 
1 1 1   21   10   22 o   29.894   2.1239  107.270   14.895  123.300   21.085   91.300   21.045   31.867   2.8315   27.228   3.3435 4.638338 4.381347 
1 1 1   21   10   23 o   14.140   1.6095   24.076   5.2783   31.200   7.5316   17.200   7.3995   16.041   2.0341   11.722   2.7250 4.318775 3.400466 
1 1 1   21   10   24 o   28.655   2.1409   98.805   14.382  117.100   20.308   80.400   20.369   31.011   2.8037   25.426   3.4843 5.585094 4.472254 
1 1 1   21   10   25 o   40.687   2.6893  200.822   25.692  223.700   36.238  177.700   36.430   42.488   3.6472   37.559   4.1784 4.929321 5.546276 
1 1 1   21   10   26 o   24.846   1.9876   74.328   11.564   83.700   16.329   64.900   16.378   26.178   2.6793   22.880   3.1122 3.298517 4.106605 
1 1 1   21   10   27 o   10.141   1.7380   12.609   4.0123   15.200   5.6124   9.9000   5.7383   11.060   2.2261   8.9473   2.5763 2.112186 3.404843 
1 1 1   21   10   28 o   13.296   1.5856   21.357   4.8801   28.700   6.9461   14.200   6.8577   15.363   1.9594   10.621   2.7218 4.741301 3.353717 
1 1 1   21   10   29 o   38.463   2.3626  179.073   21.354  206.700   30.353  152.000   30.047   40.946   3.1638   34.797   3.7142 6.149502 4.879071 
1 1 1   21   10   30 o   15.428   1.4913   28.613   5.3653   40.300   7.7029   17.600   7.4776   18.268   1.8095   11.805   2.7359 6.462878 3.280130 
1 1 1   21   10   31 o   25.852   1.9208   80.651   11.642   94.200   16.526   67.300   16.404   27.732   2.5522   23.209   3.0684 4.522781 3.991127 
1 1 1   21   10   32 f   26.804   1.8823   86.744   11.839  101.900   16.859   72.000   16.628   28.828   2.5013   23.996   3.0002 4.832712 3.906088 
1 1 1   21   10   33 o   12.021   2.5451   18.300   6.9996   18.300   6.9996   0.0000   0.0000   12.021   2.5451  ?   ?  0.000000 2.545114 
1 1 1   21   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   10   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11    0 o   69.023   5.7333  583.000   91.963  583.000   91.963  583.000   91.963   69.023   5.7333   69.023   5.7333 0.000000 0.000000 
1 1 1   21   11    1 o   30.817   2.1077  113.145   15.246  126.000   21.608  100.400   21.514   32.414   2.8521   28.839   3.2139 3.574577 4.296899 
1 1 1   21   11    2 o  104.771   5.6143  1340.50  138.395  1156.20  195.559  1525.40  195.881   95.004   8.8176  110.322   7.5648 -15.31772 11.61796 
1 1 1   21   11    3 o   69.594   3.9525  582.668   64.686  601.400   91.559  564.000   91.401   70.073   5.5795   67.764   5.7669 2.309784 8.024231 
1 1 1   21   11    4 o   34.865   2.2964  144.917   18.800  157.000   26.625  132.900   26.551   36.149   3.1506   33.178   3.4389 2.970768 4.663972 
1 1 1   21   11    5 f   71.120   4.0393  609.237   67.557  646.100   95.557  572.400   95.522   72.590   5.6185   68.123   5.9993 4.466415 8.219461 
1 1 1   21   11    6 o   58.656   3.3125  412.214   45.693  473.300   64.691  351.400   64.547   62.525   4.4098   53.573   5.1664 8.952026 6.792522 
1 1 1   21   11    7 o   25.689   1.9753   78.703   11.891   70.500   16.819   86.900   16.813   24.135   3.0171   26.894   2.6833 -2.759333 4.037675 
1 1 1   21   11    8 f   88.130   4.9487  944.545  102.569  958.000  145.081  931.100  145.029   87.443   7.0872   86.123   7.1974 1.319901 10.10104 
1 1 1   21   11    9 o   45.504   2.7981  247.550   29.920  246.500   42.323  248.600   42.305   45.113   4.0149   45.311   3.9947 -0.1988449 5.663682 
1 1 1   21   11   10 o   29.652   2.0425  104.806   14.214  117.900   20.175   91.900   20.030   31.344   2.7538   27.570   3.1323 3.773949 4.170653 
1 1 1   21   11   11 o  107.487   5.8988  1424.95  149.149  1569.10  211.077  1281.20  210.780  110.730   8.1295   99.036   9.1154 11.69315 12.21385 
1 1 1   21   11   12 o   67.031   3.7034  541.098   58.391  609.700   82.700  472.900   82.456   70.614   4.9918   61.814   5.7137 8.800777 7.587101 
1 1 1   21   11   13 o   42.902   2.6430  220.110   26.645  246.600   37.710  193.700   37.653   45.194   3.5624   39.885   4.0543 5.309189 5.397013 
1 1 1   21   11   14 o   62.033   3.5965  463.940   52.456  495.100   74.196  432.800   74.172   63.494   4.9888   59.161   5.3678 4.333084 7.328119 
1 1 1   21   11   15 o   30.196   2.0990  108.859   14.873  128.600   21.056   89.200   21.012   32.711   2.7515   27.068   3.3597 5.643373 4.342601 
1 1 1   21   11   16 o   31.695   2.1869  120.036   16.267  130.400   23.021  109.700   22.989   32.876   2.9984   30.062   3.2924 2.814344 4.453107 
1 1 1   21   11   17 o   75.037   4.3256  687.876   76.320  758.900  107.914  616.800  107.953   77.712   5.9253   69.470   6.6625 8.241974 8.916173 
1 1 1   21   11   18 o   3.3120   1.2787   0.8318   1.4179   2.6000   1.9877  -1.0000   2.0231   4.7639   1.5455   3.0217   1.3580 1.742145 2.057355 
1 1 1   21   11   19 o   39.310   2.4589  185.385   22.710  222.600   32.145  148.300   32.089   42.865   3.1988   34.678   3.9915 8.187332 5.115165 
1 1 1   21   11   20 o   48.942   2.9866  289.443   34.352  309.900   48.589  269.000   48.573   50.131   4.1416   46.518   4.4772 3.613091 6.099019 
1 1 1   21   11   21 o   35.023   2.3525  147.450   19.343  167.700   27.355  127.200   27.355   37.109   3.1515   32.101   3.6748 5.007679 4.841104 
1 1 1   21   11   22 o   25.834   1.9645   80.065   11.894   89.600   16.852   70.600   16.790   27.167   2.6611   23.982   3.0326 3.185144 4.034599 
1 1 1   21   11   23 o   12.056   1.6428   17.606   4.5550   19.700   6.5117   15.600   6.3741   12.641   2.2647   11.184   2.4787 1.456846 3.357532 
1 1 1   21   11   24 o   49.612   3.0517  300.100   35.578  352.200   50.314  248.000   50.314   53.147   4.0394   43.978   4.9298 9.168564 6.373359 
1 1 1   21   11   25 o   31.713   3.2420  124.000   23.936  124.000   23.936   0.0000   0.0000   31.713   3.2420  ?   ?  0.000000 3.241986 
1 1 1   21   11   26 o   73.844   4.5945  692.952   79.719  849.800  112.631  535.500  112.848   79.829   6.0192   60.652   8.0803 19.17694 10.07582 
1 1 1   21   11   27 o   39.057   2.5766  185.136   23.630  207.000   33.390  163.200   33.445   40.856   3.4946   35.975   4.0050 4.881245 5.315301 
1 1 1   21   11   28 o   31.307   2.0991  118.126   15.428  142.800   21.897   93.800   21.742   34.203   2.7340   27.403   3.4354 6.799269 4.390531 
1 1 1   21   11   29 o   21.099   1.7827   53.583   8.7989   59.500   12.571   47.900   12.320   22.062   2.4546   19.686   2.7232 2.375246 3.666188 
1 1 1   21   11   30 o   26.053   1.9757   81.905   12.064   91.100   17.104   72.800   17.020   27.242   2.6941   24.194   3.0466 3.048250 4.066920 
1 1 1   21   11   31 o   25.461   1.7462   77.996   10.435  104.300   14.889   52.600   14.629   29.322   2.1656   20.435   3.1316 8.887760 3.807466 
1 1 1   21   11   32 o   13.538   1.5758   22.204   4.9432   26.700   7.0683   17.900   6.9158   14.734   2.0901   11.902   2.5381 2.831836 3.287930 
1 1 1   21   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   11   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12    0 o   38.606   3.6455  181.800   32.552  181.800   32.552  181.800   32.552   38.606   3.6455   38.606   3.6455 0.000000 0.000000 
1 1 1   21   12    1 o   11.455   1.6204   15.840   4.2607   17.100   6.0489   14.600   6.0024   11.810   2.2513   10.877   2.4012 0.9325552 3.291506 
1 1 1   21   12    2 o   7.2830   1.6545   6.5313   2.7806   7.5000   3.9718   5.6000   3.8942   7.8207   2.1044   6.9018   2.1544 0.9188223 3.011654 
1 1 1   21   12    3 o   83.902   4.6766  852.792   92.285  919.400  130.568  786.300  130.454   86.151   6.4654   79.293   7.0405 6.857536 9.558709 
1 1 1   21   12    4 o   34.680   2.3286  143.453   18.959  147.500   26.802  139.400   26.821   34.996   3.2817   33.991   3.3866 1.004818 4.715742 
1 1 1   21   12    5 o   99.239   5.5283  1204.55  129.035  1232.10  182.662  1177.10  182.305   98.617   7.9105   96.224   8.0986 2.393494 11.32095 
1 1 1   21   12    6 o   24.224   1.9242   69.999   10.916   72.800   15.442   67.200   15.435   24.588   2.7042   23.590   2.8272 0.9983902 3.912250 
1 1 1   21   12    7 o   83.933   4.7144  854.882   93.059  823.800  131.567  886.000  131.644   81.131   6.9341   84.335   6.6648 -3.203911 9.617719 
1 1 1   21   12    8 o   29.428   2.0690  103.251   14.286  117.100   20.240   89.500   20.167   31.235   2.7729   27.192   3.2023 4.043585 4.235961 
1 1 1   21   12    9 f   34.489   2.2978  141.927   18.606  150.100   26.350  133.800   26.277   35.304   3.1955   33.273   3.3918 2.030838 4.659971 
1 1 1   21   12   10 o   75.845   4.2751  696.198   76.253  640.600  107.788  751.900  107.889   71.644   6.4401   77.986   5.9024 -6.341812 8.735758 
1 1 1   21   12   11 o   67.649   3.7628  551.447   59.871  640.600   84.743  462.600   84.597   72.392   4.9878   61.016   5.9471 11.37547 7.761826 
1 1 1   21   12   12 o   62.987   3.5355  477.476   52.372  547.000   74.132  408.200   74.000   66.947   4.7196   57.433   5.5245 9.514095 7.265984 
1 1 1   21   12   13 o   38.065   2.3477  173.016   20.999  206.600   29.757  139.700   29.638   41.456   3.0615   33.872   3.7695 7.584064 4.856114 
1 1 1   21   12   14 o   52.046   3.1148  325.397   38.105  326.800   53.951  324.000   53.826   51.698   4.4632   51.471   4.4731 0.2276573 6.318915 
1 1 1   21   12   15 o   22.980   1.8713   63.089   10.066   66.000   14.262   60.200   14.210   23.378   2.6290   22.289   2.7588 1.089853 3.810841 
1 1 1   21   12   16 o   31.725   2.1750  120.311   16.196  135.500   22.934  105.200   22.875   33.519   2.9269   29.398   3.3552 4.120359 4.452438 
1 1 1   21   12   17 o   30.615   2.1679  112.149   15.571  116.900   22.024  107.400   22.018   31.066   3.0413   29.728   3.1862 1.338039 4.404671 
1 1 1   21   12   18 o   9.6578   1.6253   11.369   3.5749   14.600   5.1221   8.3000   4.9916   10.898   2.0659   8.2599   2.4100 2.638460 3.174285 
1 1 1   21   12   19 o   52.258   3.1497  330.453   38.685  321.100   54.719  339.800   54.700   50.816   4.6102   52.365   4.4664 -1.548183 6.418953 
1 1 1   21   12   20 o   42.347   2.6144  215.951   26.016  243.500   36.825  188.500   36.759   44.633   3.5226   39.018   4.0486 5.614113 5.366587 
1 1 1   21   12   21 o   22.912   1.8621   62.941   9.9875   72.000   14.171   54.000   14.079   24.376   2.4972   20.966   2.9232 3.410038 3.844598 
1 1 1   21   12   22 o   20.692   1.7503   51.336   8.4717   64.700   12.033   38.200   11.930   23.147   2.2290   17.545   2.9865 5.602819 3.726611 
1 1 1   21   12   23 o   36.192   2.4905  158.221   21.155  180.800   29.838  135.400   29.997   38.372   3.3259   32.908   3.9385 5.463974 5.154905 
1 1 1   21   12   24 o   33.180   2.3975  133.021   18.658  150.200   26.258  115.500   26.518   34.960   3.2168   30.391   3.7766 4.569010 4.960894 
1 1 1   21   12   25 o   13.894   1.7500   23.379   5.6140   37.300   7.9171   9.3000   7.9619   17.559   1.9419   9.0594   3.0968 8.499844 3.655306 
1 1 1   21   12   26 o   24.083   1.9945   69.886   11.240   77.100   15.804   62.500   15.991   25.099   2.7095   22.443   3.1000 2.655485 4.117266 
1 1 1   21   12   27 o   22.566   1.8821   61.309   9.9376   76.300   14.073   46.400   14.035   25.047   2.4091   19.236   3.2024 5.811142 4.007386 
1 1 1   21   12   28 o   51.219   3.0366  321.596   36.563  369.700   51.791  273.800   51.625   54.144   4.0808   45.977   4.8271 8.167324 6.320901 
1 1 1   21   12   29 o   7.8334   1.6754   7.6000   3.0053   11.100   4.2502   4.1000   4.2502   9.4537   1.9679   6.2998   2.2545 3.153843 2.992526 
1 1 1   21   12   30 o   19.261   1.7802   44.775   8.0050   46.700   11.396   42.900   11.247   19.463   2.5401   18.613   2.6324 0.8501549 3.658042 
1 1 1   21   12   31 o   48.731   2.6084  290.499   29.907  377.100   42.506  205.600   42.086   54.988   3.2886   39.547   4.5922 15.44100 5.648330 
1 1 1   21   12   32 o   37.529   2.2948  171.659   20.238  201.400   28.916  143.100   28.335   40.178   3.0711   33.465   3.6447 6.713146 4.766072 
1 1 1   21   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   12   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13    0 o   13.595   2.6986   24.300   7.6963   24.300   7.6963   24.300   7.6963   13.595   2.6986   13.595   2.6986 0.000000 0.000000 
1 1 1   21   13    1 o   18.489   1.7520   40.855   7.5577   41.600   10.651   40.100   10.726   18.545   2.4955   18.189   2.5688 0.3562851 3.581372 
1 1 1   21   13    2 o   43.198   2.6946  222.902   27.350  225.500   38.661  220.300   38.695   43.198   3.8298   42.681   3.8818 0.5177422 5.453025 
1 1 1   21   13    3 o   45.305   2.7890  245.300   29.692  245.500   42.019  245.100   41.962   45.042   3.9920   45.005   3.9898 0.3638077E-01 5.644037 
1 1 1   21   13    4 o   38.668   2.4663  178.422   22.402  165.200   31.648  191.700   31.715   36.958   3.6752   39.902   3.3983 -2.944633 5.005533 
1 1 1   21   13    5 o   98.875   5.3773  1194.82  125.076  1277.40  177.452  1113.30  176.321  100.645   7.5211   93.483   8.0665 7.161728 11.02878 
1 1 1   21   13    6 o   33.918   2.2781  137.237   18.140  126.700   25.637  147.800   25.669   32.373   3.4047   35.049   3.1346 -2.676479 4.627954 
1 1 1   21   13    7 o   12.457   1.6372   18.692   4.6992   20.300   6.6632   17.100   6.6283   12.886   2.2728   11.776   2.4628 1.110148 3.351235 
1 1 1   21   13    8 o   28.300   2.0635   95.538   13.695  100.000   19.394   91.100   19.342   28.820   2.8886   27.466   3.0328 1.353964 4.188294 
1 1 1   21   13    9 o   27.992   2.0206   93.450   13.267  105.500   18.801   81.500   18.723   29.639   2.7165   25.941   3.1191 3.698133 4.136171 
1 1 1   21   13   10 o   77.078   4.1550  718.577   75.344  823.300  106.744  614.600  106.363   81.765   5.5616   70.060   6.5034 11.70490 8.557231 
1 1 1   21   13   11 o   78.628   4.4225  750.853   81.779  841.700  115.683  660.100  115.624   82.327   5.9918   72.311   6.8533 10.01581 9.103232 
1 1 1   21   13   12 o  109.359   5.9074  1483.63  151.984  1733.30  215.143  1234.90  214.735  116.073   7.8963   96.053   9.5958 20.01959 12.42700 
1 1 1   21   13   13 o   55.821   3.2663  374.754   42.866  396.800   60.686  352.800   60.559   56.965   4.5494   53.573   4.8393 3.392410 6.642019 
1 1 1   21   13   14 o  100.521   5.6374  1253.40  133.273  1357.90  188.571  1149.10  188.382  102.368   7.8610   93.272   8.6517 9.096024 11.68957 
1 1 1   21   13   15 o   73.677   4.1583  660.875   72.050  719.400  101.959  602.500  101.829   75.870   5.7334   68.991   6.3208 6.879013 8.533756 
1 1 1   21   13   16 o   22.571   1.7427   60.829   9.2164   78.500   13.098   43.500   12.971   25.585   2.1891   18.818   3.0212 6.766996 3.730953 
1 1 1   21   13   17 o   9.7049   1.6384   11.481   3.6211   13.100   5.1510   9.9000   5.0914   10.295   2.1865   8.9504   2.3712 1.344115 3.225374 
1 1 1   21   13   18 o   38.654   2.4142  179.244   21.925  206.400   31.068  152.300   30.947   41.247   3.2152   35.205   3.7819 6.041885 4.963937 
1 1 1   21   13   19 o   8.1104   1.6422   8.0939   3.0372   8.9000   4.3117   7.3000   4.2790   8.4753   2.1508   7.7325   2.2242 0.7427878 3.094068 
1 1 1   21   13   20 o   29.607   2.0955  105.159   14.556  119.000   20.616   91.400   20.554   31.313   2.8183   27.280   3.2550 4.032848 4.305567 
1 1 1   21   13   21 o   19.095   1.7649   43.771   7.8678   46.200   11.318   41.500   10.945   19.462   2.5221   18.413   2.5888 1.048971 3.614268 
1 1 1   21   13   22 o   48.643   2.9932  287.603   34.214  315.200   48.383  260.000   48.389   50.311   4.1084   45.382   4.5779 4.928642 6.151155 
1 1 1   21   13   23 o   13.609   1.6939   22.394   5.3256   28.000   7.5699   16.900   7.4939   15.139   2.1804   11.599   2.7735 3.539970 3.527915 
1 1 1   21   13   24 o   18.094   1.8331   39.470   7.7242   48.500   10.853   30.200   10.996   19.957   2.3477   15.491   3.1140 4.466233 3.899869 
1 1 1   21   13   25 o   36.779   2.5282  163.924   21.824  190.200   30.791  137.400   30.936   39.260   3.3535   32.991   4.0566 6.268913 5.263273 
1 1 1   21   13   26 o   16.764   1.7599   33.900   6.8626   54.300   9.7051   13.500   9.7051   21.215   1.9595   10.577   3.4133 10.63745 3.935755 
1 1 1   21   13   27 o   27.786   2.1421   93.215   13.946  118.600   19.679   67.600   19.768   31.170   2.7003   23.084   3.7555 8.085701 4.625540 
1 1 1   21   13   28 o   37.538   2.5267  171.214   22.266  187.300   31.428  155.000   31.551   38.799   3.4668   35.045   3.8776 3.753426 5.201397 
1 1 1   21   13   29 o   27.960   1.9465   94.180   12.771  120.100   18.121   68.600   18.002   31.412   2.4627   23.360   3.3602 8.052210 4.166048 
1 1 1   21   13   30 o   43.411   2.5032  229.650   25.551  294.700   36.261  165.500   36.009   48.750   3.1671   35.705   4.3616 13.04568 5.390163 
1 1 1   21   13   31 o   16.663   1.6736   33.567   6.4961   42.000   9.2614   25.400   9.1141   18.526   2.1574   14.155   2.8256 4.370739 3.555090 
1 1 1   21   13   32 o   7.4640   2.1629   6.9000   4.0330   0.0000   0.0000   6.9000   4.0330  ?   ?    7.4640   2.1629 0.000000 2.162935 
1 1 1   21   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   13   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14    0 o   48.217   4.2651  283.600   47.688  283.600   47.688  283.600   47.688   48.217   4.2651   48.217   4.2651 0.000000 0.000000 
1 1 1   21   14    1 o   42.925   2.6510  220.090   26.740  228.500   37.952  211.800   37.681   43.499   3.7309   41.835   3.8578 1.663857 5.366756 
1 1 1   21   14    2 o   21.689   1.8376   56.147   9.3227   54.400   13.174   57.900   13.195   21.213   2.6904   21.911   2.6011 -0.6975937 3.742201 
1 1 1   21   14    3 o   37.926   2.4507  171.690   21.830  142.400   30.868  201.000   30.878   34.225   3.8884   40.895   3.2236 -6.669910 5.050874 
1 1 1   21   14    4 o   38.809   2.5232  179.876   22.998  169.900   32.567  189.800   32.481   37.457   3.7316   39.665   3.5038 -2.208347 5.118774 
1 1 1   21   14    5 o   33.205   2.2383  131.524   17.448  120.100   24.647  143.000   24.703   31.514   3.3641   34.481   3.0659 -2.967003 4.551539 
1 1 1   21   14    6 o   31.456   2.1915  118.050   16.177  101.500   22.877  134.600   22.877   28.929   3.4148   33.472   2.9238 -4.542492 4.495492 
1 1 1   21   14    7 o   20.966   1.8239   52.498   8.9400   55.500   12.647   49.500   12.639   21.450   2.5466   20.210   2.7173 1.240738 3.724107 
1 1 1   21   14    8 o   26.651   2.0097   84.751   12.555   84.500   17.779   85.000   17.730   26.464   2.8923   26.546   2.8744 -0.8225822E-01 4.077662 
1 1 1   21   14    9 o   56.922   3.1728  388.641   42.477  444.200   60.185  333.500   59.958   60.507   4.2391   52.132   4.9291 8.374443 6.501210 
1 1 1   21   14   10 o   28.337   2.0658   95.847   13.728  106.300   19.417   85.400   19.411   29.723   2.7994   26.539   3.1596 3.184456 4.221382 
1 1 1   21   14   11 o   37.093   2.3175  164.280   20.197  185.800   28.644  143.000   28.484   39.288   3.1130   34.325   3.5662 4.962780 4.733722 
1 1 1   21   14   12 o   15.817   1.6845   29.990   6.1946   31.800   8.7844   28.200   8.7368   16.179   2.3695   15.188   2.5247 0.9913654 3.462501 
1 1 1   21   14   13 o   48.628   2.7748  283.324   31.731  341.300   44.962  225.800   44.786   53.131   3.6050   42.872   4.4906 10.25965 5.758637 
1 1 1   21   14   14 o   53.307   3.0208  341.543   37.869  398.000   53.654  285.500   53.457   57.190   3.9982   48.080   4.7715 9.110157 6.225148 
1 1 1   21   14   15 o   22.832   1.8762   62.342   10.026   63.800   14.219   60.900   14.140   22.952   2.6736   22.405   2.7289 0.5465355 3.820392 
1 1 1   21   14   16 o   71.350   3.7850  619.072   63.543  786.000   90.034  453.400   89.695   79.729   4.8047   59.351   6.5066 20.37793 8.088306 
1 1 1   21   14   17 o   31.884   2.1040  121.644   15.752  144.100   22.355   99.500   22.199   34.557   2.7626   28.514   3.3616 6.043039 4.351131 
1 1 1   21   14   18 o   60.611   3.2169  444.990   45.877  547.800   65.026  343.100   64.735   66.723   4.1477   52.042   5.3436 14.68099 6.764400 
1 1 1   21   14   19 o   32.835   2.2675  129.507   17.473  157.700   24.708  101.300   24.714   36.054   2.9275   28.577   3.7531 7.476240 4.759784 
1 1 1   21   14   20 o   27.179   1.9132   88.485   12.201  110.900   17.319   66.400   17.191   30.316   2.4399   23.194   3.2261 7.122261 4.044861 
1 1 1   21   14   21 o   44.669   2.6699  241.110   28.033  281.700   39.713  200.800   39.576   47.893   3.5366   40.044   4.2504 7.849033 5.529323 
1 1 1   21   14   22 o   5.4607   1.5877   3.6161   2.1699   6.8000   3.1982   0.9000   2.9539   7.4067   1.8374   4.4221   1.8001 2.984608 2.572237 
1 1 1   21   14   23 o   44.430   2.9404  240.497   30.675  307.000   43.301  173.500   43.461   49.783   3.7101   36.522   5.1850 13.26077 6.375659 
1 1 1   21   14   24 o   52.167   3.1829  333.341   39.021  417.800   55.187  248.900   55.181   57.780   4.0708   43.526   5.4911 14.25428 6.835445 
1 1 1   21   14   25 o   40.752   2.7210  201.948   26.034  228.700   36.716  174.900   36.919   42.889   3.6604   37.120   4.2910 5.769424 5.640113 
1 1 1   21   14   26 o   19.363   1.8273   45.188   8.2563   47.800   11.592   42.500   11.762   19.738   2.5466   18.529   2.7735 1.209520 3.765300 
1 1 1   21   14   27 o   20.088   1.9080   48.714   8.9420   61.700   12.568   35.400   12.725   22.497   2.4030   16.699   3.3438 5.797710 4.117633 
1 1 1   21   14   28 o   30.650   2.0809  113.298   14.971  141.900   21.230   85.000   21.116   34.102   2.6573   25.999   3.5308 8.102629 4.419082 
1 1 1   21   14   29 o   13.812   2.5070   23.800   7.8755   23.800   7.8755   0.0000   0.0000   13.812   2.5070  ?   ?  0.000000 2.506987 
1 1 1   21   14   30 o   28.789   2.0214  100.248   13.655  122.100   19.378   78.700   19.243   31.537   2.6260   24.964   3.3489 6.573751 4.255677 
1 1 1   21   14   31 o   22.550   1.7515   61.376   9.2533   78.500   13.256   45.100   12.923   25.356   2.2368   18.896   2.9962 6.460028 3.739074 
1 1 1   21   14   32 o   21.355   2.7063   56.900   13.341   0.0000   0.0000   56.900   13.341  ?   ?    21.355   2.7063 0.000000 2.706316 
1 1 1   21   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   14   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15    0 o   26.155   2.9530   84.200   17.639   84.200   17.639   84.200   17.639   26.155   2.9530   26.155   2.9530 0.000000 0.000000 
1 1 1   21   15    1 o   52.102   3.1311  325.324   38.344  281.500   54.242  369.100   54.212   47.945   4.8581   55.198   4.1905 -7.252842 6.415733 
1 1 1   21   15    2 o   42.392   2.6490  214.741   26.385  202.700   37.299  226.800   37.328   40.892   3.9105   43.335   3.6827 -2.443581 5.371593 
1 1 1   21   15    3 o   53.891   3.1911  348.198   40.428  353.400   57.184  343.000   57.164   53.880   4.5367   53.051   4.6090 0.8294601 6.467194 
1 1 1   21   15    4 o   45.733   2.7824  250.120   29.905  268.400   42.327  231.900   42.257   47.118   3.8376   43.687   4.1458 3.430122 5.649365 
1 1 1   21   15    5 o   63.720   3.6667  488.730   54.939  513.600   77.726  463.900   77.664   64.748   5.1256   61.388   5.4131 3.359810 7.454734 
1 1 1   21   15    6 o  109.101   6.1047  1474.23  156.643  1540.20  221.640  1408.40  221.412  108.978   8.6849  103.703   9.1350 5.275574 12.60460 
1 1 1   21   15    7 o   75.059   4.2449  682.471   74.929  713.200  106.016  651.800  105.915   75.814   5.9702   72.281   6.2675 3.532837 8.655927 
1 1 1   21   15    8 o   74.493   4.2459  672.749   74.377  689.800  105.187  655.700  105.183   74.461   6.0342   72.481   6.2053 1.979721 8.655533 
1 1 1   21   15    9 o   80.933   4.5908  797.897   87.374  833.400  123.572  762.400  123.560   81.506   6.4738   77.702   6.8027 3.804062 9.390793 
1 1 1   21   15   10 o   53.621   3.1931  345.503   40.247  330.900   56.925  360.100   56.912   51.951   4.6909   54.297   4.4787 -2.346405 6.485677 
1 1 1   21   15   11 o   32.354   2.1971  125.023   16.687  142.700   23.616  107.400   23.580   34.431   2.9327   29.722   3.4222 4.708101 4.506913 
1 1 1   21   15   12 o  110.689   6.3081  1538.93  164.197  1646.00  232.236  1431.90  232.182  111.251   8.9151  102.712   9.6874 8.538712 13.16529 
1 1 1   21   15   13 o   49.330   2.9811  292.542   34.562  299.600   48.908  285.500   48.849   49.485   4.2260   48.255   4.3331 1.229351 6.052685 
1 1 1   21   15   14 o   71.226   3.9437  617.222   66.071  719.700   93.520  515.100   93.357   76.091   5.2368   63.605   6.2986 12.48576 8.191208 
1 1 1   21   15   15 o   73.197   4.1953  655.720   72.211  701.000  102.156  610.500  102.088   74.471   5.8564   69.096   6.3272 5.375641 8.621522 
1 1 1   21   15   16 o   59.531   3.4218  429.844   47.900  478.000   67.815  381.900   67.665   62.099   4.6586   55.110   5.2636 6.989250 7.029112 
1 1 1   21   15   17 o   41.220   2.4410  203.950   23.654  246.500   33.551  161.900   33.353   45.087   3.1715   36.210   3.9656 8.877079 5.077833 
1 1 1   21   15   18 o   30.227   2.0526  109.472   14.564  128.900   20.665   90.300   20.529   32.645   2.7052   27.123   3.2714 5.522228 4.244971 
1 1 1   21   15   19 o   84.525   4.6617  893.591   92.684  1051.80  131.287  736.400  130.864   89.792   6.2304   73.324   7.6717 16.46795 9.882982 
1 1 1   21   15   20 o   53.346   3.0087  345.414   37.745  413.900   53.492  277.500   53.268   57.863   3.9384   46.750   4.8980 11.11271 6.285024 
1 1 1   21   15   21 o   15.967   1.6936   30.687   6.2879   34.700   8.9073   26.700   8.8777   16.865   2.2964   14.672   2.6605 2.193336 3.514455 
1 1 1   21   15   22 o   59.220   3.4540  430.871   48.091  492.400   68.082  369.600   67.939   62.350   4.6578   53.294   5.4765 9.056122 7.189375 
1 1 1   21   15   23 o   22.100   1.8707   58.738   9.6709   62.600   13.699   54.900   13.655   22.632   2.6112   21.119   2.8076 1.512949 3.834183 
1 1 1   21   15   24 o   36.809   2.5673  164.306   22.176  200.500   31.272  127.700   31.450   40.341   3.3121   31.661   4.3193 8.679197 5.443026 
1 1 1   21   15   25 o   18.689   1.8346   42.117   7.9920   48.100   11.240   36.000   11.366   19.833   2.4523   16.981   2.9411 2.851725 3.829328 
1 1 1   21   15   26 o   42.876   2.8254  224.278   28.446  244.900   40.058  203.300   40.402   44.201   3.8771   39.945   4.3537 4.255787 5.829823 
1 1 1   21   15   27 o   44.003   2.7956  236.350   28.898  317.000   40.868  155.700   40.868   50.573   3.4426   34.300   5.2095 16.27285 6.244234 
1 1 1   21   15   28 o   23.834   1.7912   68.330   10.007   94.500   14.227   42.700   14.080   27.939   2.1735   18.336   3.3762 9.603535 4.015375 
1 1 1   21   15   29 o   31.391   2.1864  119.450   16.105  141.600   22.802   97.400   22.751   33.880   2.8774   27.736   3.5555 6.143288 4.573962 
1 1 1   21   15   30 o   25.968   1.9622   81.601   11.943  102.400   16.931   61.000   16.850   28.896   2.5061   21.901   3.3659 6.994623 4.196422 
1 1 1   21   15   31 o   19.180   2.6658   45.900   11.747   0.0000   0.0000   45.900   11.747  ?   ?    19.180   2.6658 0.000000 2.665849 
1 1 1   21   15   32 o   27.249   3.1270   93.900   19.756   0.0000   0.0000   93.900   19.756  ?   ?    27.249   3.1270 0.000000 3.126992 
1 1 1   21   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   15   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16    0 f   38.953   3.6690  185.300   33.061  185.300   33.061  185.300   33.061   38.953   3.6690   38.953   3.6690 0.000000 0.000000 
1 1 1   21   16    1 o   54.632   3.2032  358.026   41.143  384.600   58.265  331.600   58.104   56.238   4.4232   52.067   4.7792 4.171127 6.511912 
1 1 1   21   16    2 o   96.945   5.4738  1154.12  124.795  1110.40  176.520  1197.80  176.453   92.978   8.1214   96.908   7.7764 -3.929977 11.24409 
1 1 1   21   16    3 o   34.554   2.3164  142.548   18.791  136.800   26.569  148.300   26.580   33.634   3.3916   35.066   3.2469 -1.431770 4.695266 
1 1 1   21   16    4 o   16.222   1.6897   31.517   6.3775   26.800   8.9877   36.300   9.0508   14.777   2.6742   17.334   2.2655 -2.556449 3.504782 
1 1 1   21   16    5 o   36.883   2.4113  162.497   20.885  153.200   29.531  171.800   29.541   35.560   3.5649   37.730   3.3506 -2.169216 4.892322 
1 1 1   21   16    6 o   68.987   3.9718  575.464   64.428  562.500   91.165  588.400   91.064   67.323   5.7909   68.949   5.6426 -1.625717 8.085395 
1 1 1   21   16    7 o   76.840   4.3620  717.274   78.820  732.800  111.561  701.800  111.377   76.577   6.2233   74.838   6.3628 1.738907 8.900301 
1 1 1   21   16    8 o   87.444   4.8578  935.067   99.912  1042.20  141.386  828.200  141.209   91.013   6.6241   80.370   7.5284 10.64346 10.02774 
1 1 1   21   16    9 o   14.019   1.6838   23.629   5.4625   19.200   7.7510   28.000   7.6997   12.450   2.7132   15.191   2.2113 -2.741071 3.500178 
1 1 1   21   16   10 o   48.666   2.9203  284.155   33.404  300.900   47.304  267.500   47.177   49.721   4.0645   46.771   4.3204 2.950710 5.931771 
1 1 1   21   16   11 o   51.302   2.9657  316.070   35.775  374.400   50.649  258.000   50.537   55.526   3.8874   45.717   4.7506 9.808422 6.138463 
1 1 1   21   16   12 o   37.457   2.4213  167.975   21.301  186.800   30.145  149.200   30.105   39.291   3.2791   34.963   3.7027 4.327881 4.945969 
1 1 1   21   16   13 o   42.685   2.6334  218.596   26.413  249.800   37.386  187.500   37.322   45.369   3.5173   39.068   4.1071 6.300549 5.407328 
1 1 1   21   16   14 o   58.258   3.4281  411.090   46.952  451.200   66.408  371.000   66.391   60.393   4.6935   54.432   5.2296 5.961304 7.026940 
1 1 1   21   16   15 o   42.814   2.6699  220.432   26.858  245.900   37.997  195.000   37.970   44.899   3.6144   39.763   4.1028 5.135983 5.467802 
1 1 1   21   16   16 o   63.124   3.6874  486.185   54.726  502.100   77.431  470.300   77.356   63.133   5.2413   60.950   5.4317 2.183178 7.548171 
1 1 1   21   16   17 o   19.705   1.7577   46.547   8.0928   52.500   11.497   40.700   11.393   20.814   2.3821   18.211   2.7338 2.602497 3.626068 
1 1 1   21   16   18 o   34.124   2.2470  139.854   18.004  156.800   25.535  123.100   25.390   35.897   3.0411   31.635   3.4549 4.261366 4.602684 
1 1 1   21   16   19 o   14.403   1.5657   24.941   5.2391   33.200   7.5324   17.200   7.2919   16.570   1.9633   11.727   2.6903 4.842181 3.330534 
1 1 1   21   16   20 o   61.669   3.4536  465.891   50.089  569.000   70.961  363.500   70.714   67.352   4.4875   52.768   5.7691 14.58393 7.308863 
1 1 1   21   16   21 o   18.077   1.7190   39.276   7.2495   45.600   10.313   33.100   10.193   19.366   2.3002   16.350   2.7368 3.015903 3.575046 
1 1 1   21   16   22 o   46.931   2.7618  267.375   30.472  321.900   43.203  213.400   42.985   51.029   3.6087   40.972   4.5180 10.05715 5.782289 
1 1 1   21   16   23 o   23.688   1.9364   67.516   10.737   75.000   15.168   60.000   15.200   24.788   2.6317   22.029   3.0000 2.758612 3.990742 
1 1 1   21   16   24 o   26.890   1.9639   86.958   12.384  105.500   17.581   68.700   17.446   29.458   2.5527   23.506   3.2284 5.952110 4.115716 
1 1 1   21   16   25 o   63.979   3.9278  511.678   59.054  558.600   83.358  464.400   83.674   65.216   5.4633   58.687   6.1283 6.528542 8.209944 
1 1 1   21   16   26 f   7.9695   1.7801   7.8829   3.2655   7.3000   4.3966   8.6000   4.8768   7.7183   2.2646   8.3374   2.3668 -0.6191258 3.275724 
1 1 1   21   16   27 o   24.179   1.9726   70.531   11.164   77.400   15.753   63.600   15.825   25.112   2.6989   22.620   3.0397 2.492535 4.064974 
1 1 1   21   16   28 o   25.770   2.0122   80.261   12.148  104.800   17.176   55.700   17.183   29.293   2.5072   20.878   3.6163 8.414528 4.400473 
1 1 1   21   16   29 o   36.467   2.3535  161.816   20.158  196.600   28.564  127.300   28.453   39.814   3.0616   31.510   3.9079 8.304214 4.964376 
1 1 1   21   16   30 o   33.185   2.0344  133.376   15.865  171.000   22.977   99.100   21.932   37.289   2.6263   27.954   3.3919 9.335140 4.289823 
1 1 1   21   16   31 o   15.561   2.5158   30.300   8.9291   0.0000   0.0000   30.300   8.9291  ?   ?    15.561   2.5158 0.000000 2.515785 
1 1 1   21   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   16   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17    0 o   57.264   4.9084  401.600   65.249  401.600   65.249  401.600   65.249   57.264   4.9084   57.264   4.9084 0.000000 0.000000 
1 1 1   21   17    1 o   64.152   3.7349  496.475   56.333  506.400   79.569  486.500   79.765   64.110   5.3036   62.765   5.4356 1.345398 7.594336 
1 1 1   21   17    2 o   50.236   3.0503  302.725   36.013  268.000   50.949  337.400   50.911   46.753   4.6777   52.713   4.1230 -5.959568 6.235335 
1 1 1   21   17    3 o   26.129   1.9946   81.505   12.214   83.100   17.249   79.900   17.298   26.242   2.8283   25.712   2.8997 0.5303135 4.050575 
1 1 1   21   17    4 o   44.361   2.6406  235.360   27.536  211.000   38.793  260.100   39.094   41.646   3.9936   46.397   3.5963 -4.751068 5.374272 
1 1 1   21   17    5 o   47.136   2.8908  266.309   32.021  264.500   45.403  268.100   45.166   46.603   4.1699   46.939   4.1165 -0.3364792 5.859444 
1 1 1   21   17    6 o   9.4885   1.5564   10.943   3.3664   17.000   4.8930   5.5000   4.6387   11.838   1.8077   7.0304   2.3640 4.807987 2.975904 
1 1 1   21   17    7 o   32.368   2.1917  125.110   16.653  137.400   23.589  112.900   23.512   33.771   2.9890   30.512   3.3167 3.258755 4.464831 
1 1 1   21   17    8 o   22.379   1.8276   59.813   9.5737   69.100   13.567   50.600   13.512   23.967   2.4308   20.381   2.8883 3.585766 3.775062 
1 1 1   21   17    9 o   30.463   2.1552  110.898   15.403  111.900   21.807  109.900   21.760   30.413   3.0790   30.132   3.1026 0.2811680 4.371054 
1 1 1   21   17   10 o   36.278   2.3678  157.475   20.173  175.300   28.549  139.700   28.509   38.083   3.2044   33.853   3.6226 4.229900 4.836462 
1 1 1   21   17   11 o   36.909   2.2098  162.776   19.171  213.800   27.186  112.300   27.039   42.192   2.7436   30.220   3.8787 11.97233 4.750942 
1 1 1   21   17   12 o   32.771   2.1945  128.482   16.884  147.200   23.921  109.900   23.833   34.917   2.9282   30.005   3.4252 4.912479 4.506272 
1 1 1   21   17   13 o   28.926   2.0514  100.092   13.921  112.400   19.734   87.900   19.641   30.505   2.7697   26.850   3.1582 3.655668 4.200646 
1 1 1   21   17   14 o   13.891   1.6460   23.228   5.2944   27.000   7.5090   19.500   7.4660   14.891   2.2019   12.537   2.6070 2.354323 3.412390 
1 1 1   21   17   15 o   3.7827   1.4500   1.1354   1.8140   0.1000   2.4933   2.3000   2.6441   3.8052   1.6095   4.8732   1.7736 -1.068021 2.395034 
1 1 1   21   17   16 o   29.648   1.9378  105.172   13.492  132.300   19.198   78.700   18.965   33.140   2.4710   25.302   3.2492 7.837488 4.082037 
1 1 1   21   17   17 o   54.047   3.1723  354.941   40.308  417.600   57.054  292.500   56.955   58.043   4.1909   47.972   5.1063 10.07021 6.605889 
1 1 1   21   17   18 o   37.079   2.4157  165.558   21.036  189.500   29.775  141.700   29.722   39.388   3.2297   33.805   3.7885 5.582699 4.978348 
1 1 1   21   17   19 o   38.686   2.3788  180.223   21.625  221.100   30.649  139.700   30.517   42.599   3.0674   33.460   3.9377 9.138931 4.991428 
1 1 1   21   17   20 o   50.390   2.8267  307.983   33.498  374.700   47.487  241.900   47.261   55.107   3.6703   43.646   4.6575 11.46117 5.929891 
1 1 1   21   17   21 o   72.759   4.0467  659.632   69.252  795.100   98.088  525.000   97.785   78.427   5.3281   62.040   6.7854 16.38698 8.627347 
1 1 1   21   17   22 o   31.000   2.1566  115.740   15.688  135.600   22.220   96.000   22.153   33.332   2.8506   27.785   3.4508 5.546574 4.475927 
1 1 1   21   17   23 o   28.524   2.0941   97.995   14.006  113.900   19.811   82.100   19.804   30.545   2.7770   25.694   3.3433 4.850080 4.346178 
1 1 1   21   17   24 o   22.836   1.8652   62.733   9.9701   76.300   14.135   49.300   14.065   25.053   2.4195   19.887   3.0958 5.165455 3.929074 
1 1 1   21   17   25 o   54.414   3.0157  362.340   38.597  444.600   54.790  281.300   54.382   59.591   3.9155   46.485   5.0347 13.10581 6.378046 
1 1 1   21   17   26 o   23.928   1.9548   69.026   10.949   86.000   15.472   52.000   15.495   26.564   2.4958   20.321   3.3457 6.243042 4.173997 
1 1 1   21   17   27 o   32.387   2.3602  127.376   17.926  164.600   25.292   89.800   25.411   36.564   2.9546   26.347   4.2273 10.21684 5.157433 
1 1 1   21   17   28 o   41.911   2.6762  215.113   26.347  244.800   37.284  185.500   37.237   44.087   3.6131   37.905   4.2324 6.181473 5.564883 
1 1 1   21   17   29 o   39.551   2.4663  191.104   22.919  230.000   32.516  152.700   32.310   42.900   3.2336   34.364   4.0602 8.535816 5.190463 
1 1 1   21   17   30 o   27.380   3.0950   94.200   19.659   0.0000   0.0000   94.200   19.659  ?   ?    27.380   3.0950 0.000000 3.095000 
1 1 1   21   17   31 o   16.999   2.5683   36.200   9.9879   0.0000   0.0000   36.200   9.9879  ?   ?    16.999   2.5683 0.000000 2.568300 
1 1 1   21   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   17   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18    0 o   44.145   4.0002  238.200   40.912  238.200   40.912  238.200   40.912   44.145   4.0002   44.145   4.0002 0.000000 0.000000 
1 1 1   21   18    1 o   43.698   2.7071  228.622   27.796  233.200   39.434  224.100   39.187   43.830   3.8491   42.942   3.9073 0.8877869 5.484717 
1 1 1   21   18    2 o   79.345   4.4673  766.446   83.360  687.300  117.848  845.700  117.928   73.638   6.8562   82.300   6.1118 -8.662300 9.184822 
1 1 1   21   18    3 o  117.909   6.7033  1750.86  185.868  1664.50  262.790  1837.30  262.925  110.598   10.177  117.070   9.5953 -6.471878 13.98683 
1 1 1   21   18    4 o   63.879   3.6461  492.534   54.770  529.100   77.527  456.100   77.385   65.574   5.0455   60.645   5.4625 4.929047 7.436143 
1 1 1   21   18    5 f   57.742   3.1633  400.625   42.967  459.300   61.014  342.900   60.519   61.428   4.2321   52.753   4.9148 8.674988 6.485863 
1 1 1   21   18    6 o   44.695   2.7314  239.411   28.689  267.300   40.600  211.600   40.544   46.958   3.6912   41.588   4.1854 5.370182 5.580585 
1 1 1   21   18    7 o   71.853   4.0239  627.037   68.000  694.400   96.247  559.900   96.085   74.748   5.4913   66.641   6.1761 8.106911 8.264280 
1 1 1   21   18    8 o   19.156   1.7421   43.899   7.7941   51.000   11.063   36.900   10.983   20.565   2.3185   17.361   2.7723 3.204458 3.614043 
1 1 1   21   18    9 o   25.949   1.9806   80.495   12.044   88.000   17.040   73.000   17.027   27.000   2.7091   24.500   3.0062 2.499807 4.046847 
1 1 1   21   18   10 o   40.607   2.5431  197.709   24.262  213.600   34.357  181.900   34.267   41.934   3.5016   38.574   3.8119 3.360683 5.176135 
1 1 1   21   18   11 o   76.869   4.4509  726.136   80.444  785.700  113.731  666.500  113.800   78.572   6.1797   71.802   6.7925 6.769821 9.182949 
1 1 1   21   18   12 o   50.776   3.0750  311.308   36.696  323.300   51.880  299.300   51.913   51.202   4.3315   49.158   4.5230 2.043800 6.262540 
1 1 1   21   18   13 o   43.159   2.6778  224.110   27.155  247.100   38.437  201.200   38.370   44.976   3.6507   40.385   4.0795 4.590805 5.474465 
1 1 1   21   18   14 o   39.484   2.4705  187.349   22.918  208.500   32.489  166.400   32.334   41.365   3.3550   36.768   3.7778 4.596809 5.052533 
1 1 1   21   18   15 o   25.587   1.9214   78.427   11.524   87.700   16.363   69.300   16.234   26.911   2.6077   23.804   2.9514 3.106760 3.938380 
1 1 1   21   18   16 o   25.145   1.9701   75.841   11.604   94.300   16.415   57.400   16.406   27.927   2.5161   21.512   3.3379 6.415037 4.179990 
1 1 1   21   18   17 o   24.828   1.8636   73.869   10.846   87.100   15.416   60.900   15.262   26.835   2.4603   22.263   2.9778 4.571632 3.862685 
1 1 1   21   18   18 o   29.896   2.1427  107.439   15.026  124.700   21.256   90.200   21.243   32.013   2.8415   27.002   3.4074 5.010431 4.436716 
1 1 1   21   18   19 o   41.580   2.5493  208.874   24.909  238.300   35.303  179.700   35.151   44.033   3.4221   37.935   3.9836 6.098660 5.251642 
1 1 1   21   18   20 o   33.658   2.2413  136.460   17.711  169.100   25.082  104.000   25.013   37.256   2.8733   28.826   3.7646 8.429810 4.735773 
1 1 1   21   18   21 o   44.328   2.4471  237.230   25.516  310.000   36.293  166.100   35.882   50.386   3.0649   36.233   4.2761 14.15319 5.261079 
1 1 1   21   18   22 o   59.965   3.4410  442.732   48.519  541.800   68.693  344.100   68.541   65.451   4.4713   50.961   5.7991 14.49070 7.322704 
1 1 1   21   18   23 f   21.524   1.8565   55.754   9.3435   62.900   13.210   48.600   13.218   22.704   2.5057   19.804   2.9136 2.899891 3.842856 
1 1 1   21   18   24 o   64.003   3.6361  508.225   54.727  644.100   77.474  372.900   77.317   71.016   4.6456   52.234   6.4024 18.78147 7.910267 
1 1 1   21   18   25 o   30.776   2.1863  114.384   15.785  118.200   22.369  110.600   22.278   30.947   3.1029   29.882   3.2073 1.064674 4.462645 
1 1 1   21   18   26 o   59.603   3.4089  440.571   47.780  518.100   67.715  363.700   67.427   63.493   4.5466   52.117   5.5650 11.37590 7.186119 
1 1 1   21   18   27 o   15.636   1.8128   29.668   6.5689   35.600   9.1647   23.400   9.4203   17.006   2.3445   13.553   3.0207 3.453619 3.823805 
1 1 1   21   18   28 o   21.180   1.8539   54.250   9.1786   53.100   12.980   55.400   12.980   20.674   2.7253   21.149   2.6580 -0.4743919 3.806854 
1 1 1   21   18   29 o   31.628   3.2945  126.100   24.243   0.0000   0.0000  126.100   24.243  ?   ?    31.628   3.2945 0.000000 3.294460 
1 1 1   21   18   30 o   15.289   2.5332   29.300   8.8252   0.0000   0.0000   29.300   8.8252  ?   ?    15.289   2.5332 0.000000 2.533159 
1 1 1   21   18   31 o   15.754   2.5412   31.200   9.1316   0.0000   0.0000   31.200   9.1316  ?   ?    15.754   2.5412 0.000000 2.541156 
1 1 1   21   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   18   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19    0 f   32.530   3.2801  129.700   24.609  129.700   24.609  129.700   24.609   32.530   3.2801   32.530   3.2801 0.000000 0.000000 
1 1 1   21   19    1 o   48.290   2.7574  279.438   31.312  328.600   44.401  230.800   44.164   52.107   3.6313   43.376   4.3713 8.731087 5.682850 
1 1 1   21   19    2 o   21.885   1.8525   57.250   9.4835   57.200   13.404   57.300   13.419   21.733   2.6680   21.752   2.6686 -0.1912117E-01 3.773537 
1 1 1   21   19    3 o   44.722   2.7365  239.811   28.760  219.300   40.634  260.400   40.712   42.349   4.1154   46.305   3.7556 -3.956474 5.571457 
1 1 1   21   19    4 o   77.897   4.4406  741.486   81.343  704.200  115.016  778.800  115.058   74.403   6.6154   78.562   6.2539 -4.159180 9.103580 
1 1 1   21   19    5 o   19.519   1.7818   45.592   8.1222   49.000   11.500   42.200   11.473   20.123   2.4720   18.609   2.6890 1.514442 3.652595 
1 1 1   21   19    6 o   51.002   3.0578  313.083   36.656  303.200   51.796  323.000   51.884   49.658   4.4649   51.329   4.3209 -1.670303 6.213287 
1 1 1   21   19    7 o   37.253   2.4377  166.248   21.325  179.200   30.161  153.300   30.156   38.442   3.3563   35.445   3.6554 2.997272 4.962551 
1 1 1   21   19    8 o   94.299   5.3979  1108.79  119.698  1147.90  169.296  1069.70  169.259   93.395   7.7464   89.752   8.0726 3.642403 11.18813 
1 1 1   21   19    9 o   18.487   1.7505   40.946   7.5507   46.100   10.682   35.800   10.674   19.518   2.3661   17.087   2.7379 2.430780 3.618693 
1 1 1   21   19   10 o   81.557   4.6829  822.141   89.807  833.500  127.059  810.800  126.953   80.209   6.7717   78.998   6.8741 1.210495 9.649295 
1 1 1   21   19   11 o   26.519   1.9876   84.177   12.356   79.200   17.434   89.200   17.515   25.508   2.9487   27.135   2.7724 -1.626133 4.047364 
1 1 1   21   19   12 o  101.947   5.8706  1324.61  140.727  1434.20  199.100  1215.20  198.934  102.441   8.3021   92.878   9.1912 9.562599 12.38557 
1 1 1   21   19   13 o   39.846   2.5143  190.995   23.536  206.500   33.344  175.600   33.225   41.103   3.4679   37.760   3.7769 3.342518 5.127507 
1 1 1   21   19   14 o   40.557   2.5343  198.042   24.150  221.300   34.196  174.900   34.110   42.548   3.4327   37.605   3.8978 4.942589 5.193896 
1 1 1   21   19   15 o   51.893   3.1291  327.079   38.164  354.300   53.993  299.900   53.952   53.356   4.3225   48.811   4.7406 4.544884 6.415422 
1 1 1   21   19   16 o   23.332   1.8439   65.265   10.076   74.300   14.318   56.400   14.183   24.761   2.4822   21.439   2.8739 3.322472 3.797453 
1 1 1   21   19   17 o   25.721   1.9855   79.450   11.966   84.700   16.922   74.200   16.922   26.362   2.7594   24.592   2.9746 1.769707 4.057362 
1 1 1   21   19   18 o   33.501   2.2225  135.046   17.482  153.900   24.792  116.400   24.654   35.514   2.9839   30.674   3.4644 4.839851 4.572308 
1 1 1   21   19   19 f   19.963   1.7510   47.866   8.1710   58.000   11.604   37.900   11.507   21.872   2.2804   17.474   2.8899 4.398127 3.681262 
1 1 1   21   19   20 o   30.137   2.1475  109.363   15.183  127.000   21.494   91.800   21.449   32.258   2.8511   27.185   3.4168 5.072968 4.450107 
1 1 1   21   19   21 o   16.754   1.7086   33.799   6.6651   38.700   9.4759   29.000   9.3765   17.807   2.3078   15.278   2.6978 2.529387 3.550223 
1 1 1   21   19   22 o   23.223   1.9206   64.913   10.438   77.100   14.753   52.700   14.769   25.162   2.5168   20.567   3.1407 4.594690 4.024698 
1 1 1   21   19   23 o   23.315   1.8788   65.394   10.256   85.500   14.525   45.400   14.484   26.555   2.3403   18.982   3.3539 7.572609 4.089714 
1 1 1   21   19   24 o   23.628   1.6966   66.949   9.4027  100.000   13.401   34.900   13.196   28.828   1.9806   16.540   3.4885 12.28807 4.011520 
1 1 1   21   19   25 o   23.045   1.9118   64.032   10.310   92.300   14.585   35.800   14.575   27.594   2.2581   16.640   3.7937 10.95436 4.414918 
1 1 1   21   19   26 o   13.381   1.6656   21.715   5.1489   31.400   7.2947   12.100   7.2687   16.059   1.9647   9.8520   2.9177 6.206707 3.517501 
1 1 1   21   19   27 o   17.407   1.6677   36.568   6.7712   46.000   9.6715   27.500   9.4831   19.417   2.1452   14.761   2.8235 4.655409 3.545961 
1 1 1   21   19   28 o   22.094   2.7408   60.700   13.992   0.0000   0.0000   60.700   13.992  ?   ?    22.094   2.7408 0.000000 2.740798 
1 1 1   21   19   29 o   15.012   2.4990   28.200   8.5475   0.0000   0.0000   28.200   8.5475  ?   ?    15.012   2.4990 0.000000 2.499015 
1 1 1   21   19   30 o   31.570   3.3167  126.900   24.356   0.0000   0.0000  126.900   24.356  ?   ?    31.570   3.3167 0.000000 3.316732 
1 1 1   21   19   31 o   23.846   2.8630   71.700   15.799   0.0000   0.0000   71.700   15.799  ?   ?    23.846   2.8630 0.000000 2.862988 
1 1 1   21   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   19   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20    0 o   16.477   2.7011   34.700   9.6609   34.700   9.6609   34.700   9.6609   16.477   2.7011   16.477   2.7011 0.000000 0.000000 
1 1 1   21   20    1 o   21.665   1.8511   56.147   9.3792   56.400   13.335   55.900   13.194   21.564   2.6764   21.471   2.6593 0.9349632E-01 3.772924 
1 1 1   21   20    2 o   29.134   2.1053  101.500   14.386  101.100   20.345  101.900   20.345   28.882   3.0281   29.000   3.0150 -0.1181431 4.273093 
1 1 1   21   20    3 o   28.384   2.0767   96.346   13.823   98.500   19.564   94.200   19.532   28.521   2.9474   27.868   3.0162 0.6524601 4.217188 
1 1 1   21   20    4 o   14.621   1.6639   25.688   5.6425   30.300   7.9900   21.100   7.9694   15.803   2.2009   13.053   2.6754 2.750262 3.464335 
1 1 1   21   20    5 o   40.126   2.5636  193.149   24.164  194.800   34.182  191.500   34.164   39.975   3.6619   39.621   3.6941 0.3535500 5.201536 
1 1 1   21   20    6 o   71.639   4.1323  627.348   69.607  632.700   98.457  622.000   98.422   70.673   5.9552   70.026   6.0104 0.6470718 8.461025 
1 1 1   21   20    7 o   48.683   2.9686  285.649   33.963  284.700   47.998  286.600   48.064   48.085   4.2717   48.250   4.2623 -0.1655579 6.034480 
1 1 1   21   20    8 o   20.856   1.8028   52.071   8.7910   58.500   12.461   45.700   12.404   21.997   2.4400   19.331   2.7989 2.666149 3.713102 
1 1 1   21   20    9 o   21.204   1.8171   53.835   9.0103   56.200   12.782   51.500   12.703   21.523   2.5656   20.566   2.6794 0.9576359 3.709646 
1 1 1   21   20   10 o   94.723   5.4306  1131.48  120.963  1210.70  171.147  1052.40  170.989   95.034   7.6925   87.647   8.3631 7.386688 11.36296 
1 1 1   21   20   11 o   33.385   2.2842  133.799   17.899  132.600   25.301  135.000   25.326   32.944   3.2966   33.254   3.2674 -0.3092575 4.641532 
1 1 1   21   20   12 o   39.944   2.4515  191.825   23.012  227.000   32.601  156.900   32.486   43.195   3.2193   35.600   3.9299 7.595772 5.080203 
1 1 1   21   20   13 o   42.949   2.6469  222.426   26.714  244.300   37.844  200.700   37.715   44.624   3.6227   40.242   4.0228 4.382019 5.413599 
1 1 1   21   20   14 o   15.554   1.7281   29.133   6.2395   37.400   8.8067   20.800   8.8414   17.561   2.1699   12.876   2.9686 4.685290 3.677119 
1 1 1   21   20   15 o   16.369   1.6865   32.213   6.4254   34.700   9.1559   29.800   9.0194   16.857   2.3653   15.557   2.5430 1.299621 3.472962 
1 1 1   21   20   16 o   58.150   3.4171  414.148   46.716  470.100   66.096  358.300   66.035   61.081   4.6166   52.695   5.3825 8.386528 7.091153 
1 1 1   21   20   17 o   27.468   2.0536   90.701   13.224   90.500   18.733   90.900   18.669   27.178   2.9672   27.244   2.9490 -0.6636810E-01 4.183422 
1 1 1   21   20   18 o   43.060   2.4958  223.911   25.268  272.600   35.860  175.900   35.609   47.177   3.2386   37.435   4.0951 9.741802 5.221001 
1 1 1   21   20   19 o   50.220   2.9789  307.267   35.169  357.300   49.803  257.500   49.670   53.545   3.9671   44.896   4.7577 8.649090 6.194620 
1 1 1   21   20   20 o   47.821   2.7949  277.846   31.424  340.300   44.531  215.900   44.349   52.454   3.6173   41.112   4.6500 11.34206 5.891296 
1 1 1   21   20   21 o   43.146   2.6627  225.945   26.996  270.800   38.224  181.300   38.134   46.811   3.4829   37.773   4.3551 9.037960 5.576477 
1 1 1   21   20   22 o   34.401   2.3385  143.046   18.884  141.300   26.675  144.800   26.737   33.766   3.3914   34.202   3.3537 -0.4365768 4.769548 
1 1 1   21   20   23 o   51.753   3.2632  329.719   39.674  391.100   56.030  268.000   56.184   55.563   4.3041   45.089   5.3834 10.47382 6.892441 
1 1 1   21   20   24 o   25.022   1.9912   75.523   11.668   92.600   16.489   58.400   16.512   27.542   2.5649   21.549   3.3541 5.993048 4.222363 
1 1 1   21   20   25 o   54.182   3.0682  361.658   39.094  447.300   55.414  276.800   55.160   59.460   3.9695   45.631   5.2127 13.82907 6.552055 
1 1 1   21   20   26 o   46.385   2.5561  262.478   27.889  339.500   39.629  186.900   39.256   52.287   3.2254   37.871   4.4762 14.41529 5.517237 
1 1 1   21   20   27 o   9.8544   1.9670   12.087   4.4167   9.3000   6.9235   14.000   5.7353   8.8144   2.8856   10.541   2.3626 -1.726512 3.729456 
1 1 1   21   20   28 o   44.984   4.2726  264.400   44.839   0.0000   0.0000  264.400   44.839  ?   ?    44.984   4.2726 0.000000 4.272558 
1 1 1   21   20   29 o   27.034   3.0392   92.100   19.065   0.0000   0.0000   92.100   19.065  ?   ?    27.034   3.0392 0.000000 3.039207 
1 1 1   21   20   30 o   5.4806   1.9720   3.1000   3.2562   0.0000   0.0000   3.1000   3.2562  ?   ?    5.4806   1.9720 0.000000 1.972033 
1 1 1   21   20   31 o   10.706   2.5944   14.700   6.4899   0.0000   0.0000   14.700   6.4899  ?   ?    10.706   2.5944 0.000000 2.594394 
1 1 1   21   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   20   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21    0 o   28.232   3.0692   98.200   19.848   98.200   19.848   98.200   19.848   28.232   3.0692   28.232   3.0692 0.000000 0.000000 
1 1 1   21   21    1 o   34.735   2.3468  144.602   19.136  143.200   27.083  146.000   27.041   34.291   3.3890   34.641   3.3475 -0.3493958 4.763515 
1 1 1   21   21    2 o   36.536   2.4052  160.044   20.635  143.800   29.177  176.300   29.187   34.275   3.6616   38.114   3.2748 -3.839191 4.912386 
1 1 1   21   21    3 o   10.439   1.6711   13.256   3.9803   12.100   5.6445   14.400   5.6137   9.8727   2.4361   10.790   2.2749 -0.9171743 3.333168 
1 1 1   21   21    4 o   16.734   1.7088   33.597   6.6576   32.900   9.3931   34.300   9.4375   16.410   2.5033   16.773   2.4555 -0.3629780 3.506574 
1 1 1   21   21    5 o   38.509   2.4788  177.984   22.421  169.300   31.679  186.700   31.736   37.201   3.6534   39.146   3.4692 -1.945450 5.038083 
1 1 1   21   21    6 f   42.409   2.6198  216.180   26.107  233.400   36.997  199.100   36.846   43.730   3.6153   40.248   3.9269 3.482365 5.337679 
1 1 1   21   21    7 o   10.917   1.6237   14.455   4.0581   19.100   5.7672   9.9000   5.7112   12.509   2.0214   8.9834   2.5652 3.525591 3.265918 
1 1 1   21   21    8 o   34.655   2.3198  144.135   18.874  150.900   26.722  137.400   26.662   35.193   3.2522   33.515   3.4167 1.678391 4.717057 
1 1 1   21   21    9 o   24.948   1.9312   74.565   11.289   79.000   16.028   70.200   15.902   25.513   2.7015   23.993   2.8633 1.520212 3.936571 
1 1 1   21   21   10 o   57.594   3.2780  403.040   44.397  474.200   62.858  332.200   62.717   61.852   4.3310   51.134   5.2695 10.71778 6.820992 
1 1 1   21   21   11 o   42.748   2.6764  220.414   26.880  247.300   38.040  193.600   37.989   44.909   3.6177   39.474   4.1371 5.435642 5.495763 
1 1 1   21   21   12 o   29.838   2.1579  106.918   15.101  135.900   21.350   77.900   21.363   33.502   2.7223   24.995   3.7340 8.507500 4.621010 
1 1 1   21   21   13 o   55.280   3.3401  372.879   43.396  386.900   61.307  358.800   61.435   55.431   4.7290   53.215   4.9456 2.216434 6.842702 
1 1 1   21   21   14 o   33.165   2.3185  132.449   18.043  161.100   25.495  103.700   25.539   36.366   2.9955   28.817   3.8492 7.548950 4.877473 
1 1 1   21   21   15 o   27.622   2.0731   91.712   13.423   97.900   18.965   85.500   19.002   28.319   2.8759   26.372   3.1112 1.947180 4.236769 
1 1 1   21   21   16 o   36.525   2.4288  161.006   20.829  191.900   29.454  130.100   29.459   39.595   3.1769   32.231   3.9536 7.364662 5.071859 
1 1 1   21   21   17 o   40.010   2.5806  193.694   24.251  229.500   34.299  157.900   34.294   43.199   3.3896   35.409   4.1822 7.790642 5.383356 
1 1 1   21   21   18 o   14.366   1.6426   24.891   5.4721   31.600   7.8035   18.400   7.6756   16.116   2.1004   12.106   2.7478 4.009680 3.458673 
1 1 1   21   21   19 o   12.440   1.8346   18.857   5.2275   28.700   7.2835   8.4000   7.5072   15.353   2.0611   8.6918   3.0055 6.660688 3.644359 
1 1 1   21   21   20 o   32.264   2.3693  125.888   17.925  170.800   25.297   80.600   25.403   37.405   2.8864   24.984   4.4699 12.42107 5.320815 
1 1 1   21   21   21 o   41.233   2.6519  206.484   25.684  287.500   36.326  125.500   36.319   48.389   3.1971   30.884   5.1622 17.50545 6.072072 
1 1 1   21   21   22 o   38.507   2.3140  179.078   20.943  250.200   29.729  109.000   29.510   45.318   2.7917   29.103   4.4342 16.21505 5.239839 
1 1 1   21   21   23 o   42.871   2.5321  223.118   25.520  302.900   36.189  144.200   35.993   49.644   3.1027   33.301   4.7085 16.34320 5.638850 
1 1 1   21   21   24 o   48.016   4.4375  296.800   49.745  296.800   49.745   0.0000   0.0000   48.016   4.4375  ?   ?  0.000000 4.437541 
1 1 1   21   21   25 o   20.631   1.9464   51.555   9.3702   73.100   13.189   29.600   13.314   24.485   2.3085   15.071   3.7549 9.413242 4.407793 
1 1 1   21   21   26 o   14.345   1.7400   25.008   5.7732   38.400   8.2087   11.900   8.1210   17.753   1.9925   9.8338   3.1170 7.919527 3.699406 
1 1 1   21   21   27 o   33.035   3.3649  137.800   25.882   0.0000   0.0000  137.800   25.882  ?   ?    33.035   3.3649 0.000000 3.364887 
1 1 1   21   21   28 o   13.636   2.4933   23.400   7.7321   0.0000   0.0000   23.400   7.7321  ?   ?    13.636   2.4933 0.000000 2.493270 
1 1 1   21   21   29 o   24.085   2.8583   72.900   15.939   0.0000   0.0000   72.900   15.939  ?   ?    24.085   2.8583 0.000000 2.858319 
1 1 1   21   21   30 o   10.059   2.4261   12.900   5.6960   0.0000   0.0000   12.900   5.6960  ?   ?    10.059   2.4261 0.000000 2.426061 
1 1 1   21   21   31 o   3.0984   1.4684  -3.4000   2.8738   0.0000   0.0000  -3.4000   2.8738  ?   ?    3.0984   1.4684 0.000000 1.468371 
1 1 1   21   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   21   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22    0 o   32.776   3.3080  132.100   25.005  132.100   25.005  132.100   25.005   32.776   3.3080   32.776   3.3080 0.000000 0.000000 
1 1 1   21   22    1 o   35.975   2.3863  155.337   20.156  170.400   28.518  140.300   28.493   37.431   3.2589   33.819   3.6244 3.612350 4.874093 
1 1 1   21   22    2 o   35.071   2.3512  147.600   19.358  147.900   27.391  147.300   27.363   34.813   3.3743   34.741   3.3782 0.7268143E-01 4.774763 
1 1 1   21   22    3 o   12.724   1.6554   19.548   4.8559   20.600   6.8733   18.500   6.8612   12.940   2.3354   12.224   2.4621 0.7154856 3.393560 
1 1 1   21   22    4 o   68.582   3.9886  576.894   64.316  531.900   90.951  621.900   90.963   64.304   6.0612   70.023   5.5466 -5.718819 8.216039 
1 1 1   21   22    5 o   5.4835   1.7987   3.4266   2.6895   10.100   3.6195  -4.8000   4.0187   9.0655   1.7542   3.6725   1.7393 5.393035 2.470299 
1 1 1   21   22    6 o   58.657   3.4739  419.050   47.903  416.900   67.744  421.200   67.748   57.556   5.0351   57.874   5.0067 -0.3176765 7.100593 
1 1 1   21   22    7 o   31.556   2.2058  119.498   16.333  118.900   23.054  120.100   23.142   31.211   3.1722   31.372   3.1673 -0.1602192 4.482718 
1 1 1   21   22    8 o   25.441   1.9797   77.603   11.800   78.400   16.659   76.800   16.715   25.374   2.8285   25.099   2.8720 0.2748737 4.030983 
1 1 1   21   22    9 o   56.065   3.2968  382.401   43.454  469.400   61.488  295.600   61.418   61.548   4.2569   48.001   5.5189 13.54646 6.969915 
1 1 1   21   22   10 o   17.786   1.7318   37.987   7.1813   45.600   10.165   30.400   10.147   19.399   2.2615   15.653   2.8502 3.745396 3.638374 
1 1 1   21   22   11 o   34.831   2.3001  145.870   18.811  162.600   26.667  129.300   26.539   36.514   3.1229   32.386   3.5273 4.127655 4.711064 
1 1 1   21   22   12 o   25.078   1.9940   75.534   11.711   90.500   16.542   60.500   16.580   27.315   2.5959   22.091   3.2778 5.223406 4.181247 
1 1 1   21   22   13 o   37.978   2.4987  174.058   22.283  212.800   31.510  135.300   31.516   41.722   3.2233   32.824   4.1594 8.897636 5.262161 
1 1 1   21   22   14 o   11.331   1.6498   15.594   4.2848   19.000   6.2108   12.500   5.9190   12.420   2.1982   10.004   2.5099 2.416147 3.336394 
1 1 1   21   22   15 o   69.780   4.0569  605.711   66.560  747.400   94.159  464.200   94.100   76.245   5.2621   58.260   6.9789 17.98462 8.740389 
1 1 1   21   22   16 o   46.958   2.8232  267.730   31.159  316.100   44.120  219.600   44.010   50.536   3.7234   41.597   4.5551 8.939682 5.883220 
1 1 1   21   22   17 o   25.525   1.9691   78.323   11.777   85.800   16.684   70.900   16.625   26.521   2.7018   23.992   3.0001 2.529629 4.037406 
1 1 1   21   22   18 o   29.747   2.1510  106.600   15.007  143.700   21.223   69.500   21.223   34.400   2.6327   23.377   3.9877 11.02307 4.778367 
1 1 1   21   22   19 o   39.115   2.4088  184.827   22.140  238.700   31.436  131.800   31.188   44.190   3.0309   32.248   4.1950 11.94218 5.175323 
1 1 1   21   22   20 o   18.965   1.8977   43.413   8.3843   54.100   11.743   32.300   11.975   21.065   2.4038   15.972   3.2848 5.093333 4.070401 
1 1 1   21   22   21 o   6.1653   1.7570   4.6493   2.6820   5.7000   3.5769   3.3000   4.0535   6.8566   2.0504   5.9134   2.1888 0.9431615 2.999179 
1 1 1   21   22   22 o   25.765   2.0713   80.167   12.496  103.600   17.628   56.500   17.715   29.140   2.5888   21.062   3.6968 8.077896 4.513070 
1 1 1   21   22   23 o   15.045   1.7542   27.424   6.1152   32.800   8.5903   21.900   8.7072   16.340   2.2892   13.151   2.8834 3.189173 3.681656 
1 1 1   21   22   24 o   29.746   2.1838  107.264   15.232  140.900   21.537   73.600   21.546   33.886   2.7143   23.882   3.9593 10.00416 4.800380 
1 1 1   21   22   25 o   5.3455   2.1347   1.8000   4.0672   1.8000   4.0672   0.0000   0.0000   5.3455   2.1347  ?   ?  0.000000 2.134707 
1 1 1   21   22   26 o   14.355   2.5126   25.800   8.2068   0.0000   0.0000   25.800   8.2068  ?   ?    14.355   2.5126 0.000000 2.512606 
1 1 1   21   22   27 o   19.259   2.6390   46.300   11.686   0.0000   0.0000   46.300   11.686  ?   ?    19.259   2.6390 0.000000 2.638997 
1 1 1   21   22   28 o   5.0529   1.9243   2.2000   3.1816   0.0000   0.0000   2.2000   3.1816  ?   ?    5.0529   1.9243 0.000000 1.924266 
1 1 1   21   22   29 o   21.242   2.8100   56.900   13.749   0.0000   0.0000   56.900   13.749  ?   ?    21.242   2.8100 0.000000 2.810003 
1 1 1   21   22   30 o   9.1024   2.6476   10.500   6.0328   0.0000   0.0000   10.500   6.0328  ?   ?    9.1024   2.6476 0.000000 2.647594 
1 1 1   21   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   22   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23    0 o   29.874   3.1805  110.100   21.796  110.100   21.796  110.100   21.796   29.874   3.1805   29.874   3.1805 0.000000 0.000000 
1 1 1   21   23    1 o   44.795   2.6968  241.834   28.392  184.700   40.112  299.200   40.194   38.410   4.5082   49.529   3.4583 -11.11937 5.681924 
1 1 1   21   23    2 o   97.032   5.5077  1195.23  125.676  1363.60  177.820  1027.20  177.645  100.676   7.5345   85.239   8.9599 15.43735 11.70678 
1 1 1   21   23    3 o   50.145   3.0297  304.477   35.707  314.100   50.559  294.900   50.436   50.313   4.2968   48.663   4.4379 1.649658 6.177174 
1 1 1   21   23    4 o   31.236   2.1959  117.100   16.094  116.500   22.754  117.700   22.767   30.890   3.1642   31.055   3.1481 -0.1650295 4.463441 
1 1 1   21   23    5 f   41.855   2.5815  210.973   25.390  240.900   35.953  181.200   35.860   44.402   3.4563   38.234   4.0327 6.167793 5.311183 
1 1 1   21   23    6 o   32.420   2.2572  126.262   17.172  134.100   24.266  118.400   24.304   33.158   3.1364   31.062   3.3674 2.095638 4.601790 
1 1 1   21   23    7 o   49.298   3.1056  295.084   35.968  323.200   50.746  266.700   50.988   51.002   4.2523   46.010   4.7619 4.992092 6.384186 
1 1 1   21   23    8 o   32.666   2.2557  128.249   17.293  129.400   24.468  127.100   24.444   32.517   3.2293   32.214   3.2582 0.3029671 4.587462 
1 1 1   21   23    9 o   1.7150   0.8398  -2.2542   1.1448  -8.7000   1.4453   8.6000   1.8755  ?   ?    8.4710   0.9542 0.000000 0.9542327 
1 1 1   21   23   10 o   52.999   3.1745  342.116   39.546  369.000   55.961  315.300   55.891   54.300   4.4023   49.904   4.8022 4.395916 6.514701 
1 1 1   21   23   11 o   65.804   3.8438  534.398   59.468  588.300   84.141  480.600   84.059   67.764   5.3006   60.606   5.9504 7.157337 7.968868 
1 1 1   21   23   12 o   16.159   1.7536   31.461   6.5836   29.500   9.3377   33.400   9.2837   15.442   2.6566   16.503   2.4572 -1.060963 3.618751 
1 1 1   21   23   13 o   14.274   1.7322   24.622   5.7191   29.200   8.0263   19.900   8.1512   15.450   2.2675   12.594   2.8120 2.855574 3.612279 
1 1 1   21   23   14 o   38.232   2.4933  176.579   22.386  189.700   31.684  163.500   31.634   39.234   3.4552   36.269   3.7478 2.964920 5.097476 
1 1 1   21   23   15 o   29.417   2.1220  104.133   14.641  129.500   20.713   78.800   20.699   32.639   2.7121   25.108   3.5938 7.530767 4.502269 
1 1 1   21   23   16 o   43.180   2.7325  226.250   27.718  226.700   39.184  225.800   39.215   42.616   3.9384   42.523   3.9506 0.9220505E-01 5.578328 
1 1 1   21   23   17 o   29.162   2.1547  102.485   14.733  109.600   20.785   95.300   20.886   29.894   2.9844   27.761   3.2475 2.133369 4.410536 
1 1 1   21   23   18 f   14.068   1.9086   24.071   6.1768   33.700   8.5581   13.600   8.9240   16.613   2.2386   10.534   3.2570 6.079375 3.952092 
1 1 1   21   23   19 o   9.7708   1.6604   11.689   3.6939   8.1000   4.9029   16.400   5.6177   8.1306   2.3931   11.516   2.1448 -3.385015 3.213575 
1 1 1   21   23   20 o   10.191   1.6911   12.708   3.9268   16.000   5.5893   9.5000   5.5181   11.365   2.1617   8.7681   2.5269 2.597141 3.325345 
1 1 1   21   23   21 o   36.134   2.4952  158.583   21.160  192.200   29.866  124.700   29.984   39.435   3.2357   31.242   4.1683 8.193090 5.276840 
1 1 1   21   23   22 o   13.241   1.8592   21.395   5.6530   33.200   7.8835   8.9000   8.1103   16.498   2.0691   8.9316   3.1219 7.566195 3.745333 
1 1 1   21   23   23 o   14.764   1.8072   26.486   6.1691   30.700   8.5457   21.900   8.9147   15.765   2.3688   13.121   2.9490 2.644005 3.782502 
1 1 1   21   23   24 o   24.750   1.9148   74.049   11.104  102.100   15.789   46.600   15.619   28.935   2.3306   19.000   3.6133 9.935167 4.299686 
1 1 1   21   23   25 o   21.971   2.8213   60.200   14.299   0.0000   0.0000   60.200   14.299  ?   ?    21.971   2.8213 0.000000 2.821317 
1 1 1   21   23   26 o   22.627   2.8042   64.000   14.662   0.0000   0.0000   64.000   14.662  ?   ?    22.627   2.8042 0.000000 2.804205 
1 1 1   21   23   27 o   17.529   2.7207   38.700   10.897   0.0000   0.0000   38.700   10.897  ?   ?    17.529   2.7207 0.000000 2.720703 
1 1 1   21   23   28 f   27.152   3.1448   93.700   19.790   0.0000   0.0000   93.700   19.790  ?   ?    27.152   3.1448 0.000000 3.144768 
1 1 1   21   23   29 o   14.617   2.7691   27.300   9.2081   0.0000   0.0000   27.300   9.2081  ?   ?    14.617   2.7691 0.000000 2.769106 
1 1 1   21   23   30 o   2.3275   1.1440  -4.5000   2.1870   0.0000   0.0000  -4.5000   2.1870  ?   ?    2.3275   1.1440 0.000000 1.144028 
1 1 1   21   23   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   23   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24    0 o   32.582   3.2976  130.800   24.774  130.800   24.774  130.800   24.774   32.582   3.2976   32.582   3.2976 0.000000 0.000000 
1 1 1   21   24    1 o   34.451   2.3398  142.712   18.922  133.000   26.776  152.400   26.743   32.884   3.5021   35.320   3.2426 -2.435921 4.772797 
1 1 1   21   24    2 o   32.979   2.2043  130.568   17.067  115.700   24.071  145.600   24.202   30.690   3.3774   34.602   2.9915 -3.911961 4.511796 
1 1 1   21   24    3 o   9.5212   1.7698   11.130   3.8325   17.300   5.3649   4.7000   5.4767   11.890   1.9805   6.9582   2.5494 4.931957 3.228285 
1 1 1   21   24    4 o   7.5112   1.7019   6.9766   2.9488   4.7000   4.1491   9.3000   4.1916   6.5378   2.2356   8.6554   2.0773 -2.117614 3.051694 
1 1 1   21   24    5 o   17.949   1.7546   38.707   7.3418   40.200   10.360   37.200   10.406   18.144   2.4831   17.411   2.6115 0.7328873 3.603626 
1 1 1   21   24    6 o   12.779   1.6701   19.748   4.9190   18.600   6.9500   20.900   6.9632   12.236   2.4902   13.016   2.3521 -0.7802286 3.425411 
1 1 1   21   24    7 o   29.235   2.1320  102.708   14.617  105.400   20.642  100.000   20.700   29.365   3.0199   28.563   3.1199 0.8020916 4.342058 
1 1 1   21   24    8 o   11.449   1.6765   15.920   4.3981   14.000   6.1726   17.900   6.2681   10.588   2.5074   12.032   2.2897 -1.443898 3.395605 
1 1 1   21   24    9 o   31.989   2.1640  122.983   16.250  144.800   23.044  101.400   22.919   34.509   2.8535   28.631   3.4602 5.877460 4.484987 
1 1 1   21   24   10 o   43.740   2.7262  231.658   28.017  218.500   39.559  244.900   39.686   41.851   4.0537   44.457   3.8174 -2.606014 5.568214 
1 1 1   21   24   11 o   40.152   2.5808  194.896   24.339  191.500   34.401  198.300   34.441   39.296   3.7530   40.027   3.6853 -0.7306595 5.259869 
1 1 1   21   24   12 o   29.244   2.0871  102.811   14.318  123.600   20.292   82.200   20.206   31.889   2.7208   25.735   3.4089 6.154530 4.361573 
1 1 1   21   24   13 o   36.120   2.4354  157.533   20.651  167.000   29.154  148.000   29.255   36.820   3.3913   34.535   3.6424 2.284702 4.976695 
1 1 1   21   24   14 o   17.445   1.7426   36.625   7.0824   39.500   10.061   33.800   9.9719   17.970   2.4336   16.547   2.6409 1.422777 3.591204 
1 1 1   21   24   15 o   29.338   2.1424  103.662   14.739  109.600   20.822   97.700   20.866   29.900   2.9892   28.139   3.1970 1.760714 4.376746 
1 1 1   21   24   16 o   61.413   3.4479  463.992   49.798  580.500   70.595  348.600   70.257   67.844   4.4309   51.247   5.9144 16.59798 7.390039 
1 1 1   21   24   17 o   9.5769   1.8665   11.324   4.0694   15.600   5.5367   6.3000   6.0013   11.222   2.1678   7.6451   2.6847 3.577344 3.450662 
1 1 1   21   24   18 o   32.976   2.2308  131.183   17.269  160.300   24.471  102.300   24.373   36.219   2.8852   28.557   3.7014 7.661613 4.693033 
1 1 1   21   24   19 o   31.076   2.2942  116.814   16.716  140.300   23.558   93.000   23.722   33.806   2.9817   27.132   3.8074 6.673574 4.835974 
1 1 1   21   24   20 o   16.839   1.8195   34.292   7.1198   42.400   9.9832   25.900   10.157   18.619   2.3211   14.286   3.0998 4.332747 3.872506 
1 1 1   21   24   21 o   13.878   1.8797   23.481   6.0012   37.700   8.3784   8.5000   8.5999   17.598   2.0549   8.9165   3.2052 8.681864 3.807323 
1 1 1   21   24   22 o   58.314   2.9893  418.746   41.025  550.700   58.494  291.000   57.554   66.115   3.7623   46.543   5.3330 19.57204 6.526496 
1 1 1   21   24   23 o   19.383   1.7236   45.346   7.8066   62.800   11.354   29.700   10.751   22.714   2.1423   15.260   3.0894 7.453726 3.759533 
1 1 1   21   24   24 f   18.422   2.6673   42.300   11.265   0.0000   0.0000   42.300   11.265  ?   ?    18.422   2.6673 0.000000 2.667318 
1 1 1   21   24   25 o   5.4060   2.0983   2.3000   3.8334   0.0000   0.0000   2.3000   3.8334  ?   ?    5.4060   2.0983 0.000000 2.098280 
1 1 1   21   24   26 o   16.972   2.5867   36.100   10.039   0.0000   0.0000   36.100   10.039  ?   ?    16.972   2.5867 0.000000 2.586671 
1 1 1   21   24   27 o   23.208   2.9599   68.100   15.852   0.0000   0.0000   68.100   15.852  ?   ?    23.208   2.9599 0.000000 2.959921 
1 1 1   21   24   28 o   20.773   2.9071   54.700   13.869   0.0000   0.0000   54.700   13.869  ?   ?    20.773   2.9071 0.000000 2.907110 
1 1 1   21   24   29 o   30.734   3.3827  121.500   24.143   0.0000   0.0000  121.500   24.143  ?   ?    30.734   3.3827 0.000000 3.382704 
1 1 1   21   24   30 o   12.148   2.5660   18.900   7.1298   0.0000   0.0000   18.900   7.1298  ?   ?    12.148   2.5660 0.000000 2.565992 
1 1 1   21   24   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   24   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25    0 o   4.9564   2.4576   4.3000   3.4702   4.3000   3.4702   4.3000   3.4702   4.9564   2.4576   4.9564   2.4576 0.000000 0.000000 
1 1 1   21   25    1 o   40.507   2.5943  198.088   24.684  189.100   34.886  207.100   34.932   39.073   3.8303   40.992   3.6469 -1.919224 5.288752 
1 1 1   21   25    2 o   20.689   1.8399   51.402   8.8951   51.500   12.469   51.300   12.693   20.532   2.6325   20.476   2.6903 0.5553818E-01 3.764010 
1 1 1   21   25    3 o   33.061   2.2718  131.492   17.628  142.500   24.940  120.500   24.921   34.148   3.1276   31.270   3.4313 2.877916 4.642819 
1 1 1   21   25    4 o   32.786   2.2926  129.384   17.638  138.700   24.898  120.000   24.989   33.667   3.1691   31.193   3.4504 2.474339 4.684930 
1 1 1   21   25    5 o   20.840   1.8247   52.146   8.8889   55.400   12.579   48.900   12.563   21.323   2.5488   19.966   2.7366 1.356194 3.739661 
1 1 1   21   25    6 o   2.3252   0.9588   0.1785   0.8517   2.9000   1.0022  -6.9000   1.6163   4.8728   0.9043  ?   ?  0.000000 0.9042653 
1 1 1   21   25    7 o   5.5562   1.6184   3.7419   2.2527   4.4000   3.0945   3.0000   3.2858   6.1088   1.9227   5.4845   1.9800 0.6242776 2.759915 
1 1 1   21   25    8 o   43.892   2.7640  233.450   28.501  259.500   40.307  207.400   40.307   45.799   3.7602   40.648   4.2627 5.151039 5.684174 
1 1 1   21   25    9 o   3.8953   1.4624   1.3292   1.8220   4.5000   2.6534  -1.5000   2.5064   6.0797   1.7523   3.2806   1.4893 2.799062 2.299681 
1 1 1   21   25   10 o   63.744   3.7797  502.002   56.640  531.500   80.099  472.500   80.103   64.225   5.3297   60.174   5.7056 4.050594 7.807641 
1 1 1   21   25   11 o   12.059   1.6841   17.646   4.6649   18.500   6.6122   16.800   6.5822   12.211   2.3786   11.607   2.4770 0.6042480 3.434114 
1 1 1   21   25   12 o   15.538   1.6985   29.094   6.1305   24.900   8.6131   33.400   8.7276   14.145   2.6767   16.533   2.2976 -2.388209 3.527544 
1 1 1   21   25   13 o   10.582   1.7259   13.683   4.1638   13.200   5.7882   14.200   5.9941   10.276   2.4246   10.660   2.4347 -0.3837557 3.436033 
1 1 1   21   25   14 o   41.919   2.6853  213.115   26.441  251.200   37.385  175.000   37.400   45.098   3.5390   37.176   4.3421 7.921997 5.601652 
1 1 1   21   25   15 o   33.390   2.2546  134.439   17.672  158.300   25.024  110.700   24.960   35.978   2.9722   29.785   3.6235 6.192776 4.686488 
1 1 1   21   25   16 o   12.112   1.8024   17.883   4.9978   19.700   6.7657   15.700   7.4147   12.603   2.3601   11.168   2.8131 1.435504 3.672041 
1 1 1   21   25   17 o   16.886   1.8135   34.431   7.1178   44.600   10.003   24.000   10.131   19.140   2.2566   13.753   3.1825 5.386444 3.901328 
1 1 1   21   25   18 o   19.734   1.7153   46.826   7.9136   37.100   11.068   57.000   11.320   17.269   2.8107   21.658   2.2460 -4.388769 3.597890 
1 1 1   21   25   19 o   15.749   1.8314   30.064   6.6837   44.800   9.3851   14.900   9.5206   19.200   2.1045   10.947   3.3607 8.252702 3.965238 
1 1 1   21   25   20 o   31.634   2.2257  121.229   16.520  155.300   23.370   87.200   23.355   35.571   2.8050   26.101   3.9097 9.469336 4.811825 
1 1 1   21   25   21 o   30.490   2.1635  112.651   15.476  137.700   21.930   87.800   21.843   33.447   2.8025   26.291   3.6140 7.155682 4.573245 
1 1 1   21   25   22 o   17.264   1.7131   36.032   6.8915   48.900   9.8113   23.500   9.6823   20.031   2.1058   13.542   3.0954 6.488892 3.743794 
1 1 1   21   25   23 o   28.883   3.1496  104.600   21.133   0.0000   0.0000  104.600   21.133  ?   ?    28.883   3.1496 0.000000 3.149604 
1 1 1   21   25   24 o  ?   ?  -11.4000   0.9620   0.0000   0.0000 -11.4000   0.9620  ?   ?   ?   ?  0.000000      ? 
1 1 1   21   25   25 o   8.3346   2.3879   8.7000   4.9409   0.0000   0.0000   8.7000   4.9409  ?   ?    8.3346   2.3879 0.000000 2.387920 
1 1 1   21   25   26 o   16.565   2.7866   34.800   10.513   0.0000   0.0000   34.800   10.513  ?   ?    16.565   2.7866 0.000000 2.786565 
1 1 1   21   25   27 o   11.808   2.7111   17.900   7.3997   0.0000   0.0000   17.900   7.3997  ?   ?    11.808   2.7111 0.000000 2.711149 
1 1 1   21   25   28 o   6.1347   2.3300   3.4000   4.6571   0.0000   0.0000   3.4000   4.6571  ?   ?    6.1347   2.3300 0.000000 2.330040 
1 1 1   21   25   29 o   17.589   2.7848   39.400   11.182   0.0000   0.0000   39.400   11.182  ?   ?    17.589   2.7848 0.000000 2.784813 
1 1 1   21   25   30 o   16.883   2.7923   36.500   10.743   0.0000   0.0000   36.500   10.743  ?   ?    16.883   2.7923 0.000000 2.792279 
1 1 1   21   25   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   25   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26    0 o   58.043   5.0621  421.100   68.167  421.100   68.167  421.100   68.167   58.043   5.0621   58.043   5.0621 0.000000 0.000000 
1 1 1   21   26    1 o   28.651   2.0747   98.628   13.941  106.700   19.805   90.700   19.628   29.580   2.8716   27.173   3.1153 2.406734 4.236893 
1 1 1   21   26    2 o   22.089   1.8502   58.579   9.5620   66.900   13.582   50.400   13.465   23.469   2.4888   20.224   2.9027 3.244635 3.823535 
1 1 1   21   26    3 o   21.499   1.8909   55.553   9.5018   58.100   13.303   52.900   13.577   21.815   2.6359   20.744   2.8466 1.070374 3.879628 
1 1 1   21   26    4 o   12.146   1.7827   17.944   4.9608   24.000   6.9092   11.500   7.1271   14.006   2.1585   9.6861   2.8938 4.319479 3.610173 
1 1 1   21   26    5 o   40.229   2.6014  195.664   24.580  206.900   34.740  184.400   34.782   40.928   3.6323   38.504   3.8783 2.424141 5.313627 
1 1 1   21   26    6 o   69.535   3.9339  598.779   64.329  519.800   90.819  678.300   91.131   62.638   6.2225   72.616   5.3524 -9.977615 8.207744 
1 1 1   21   26    7 o   31.005   2.2107  115.721   16.079  129.900   22.722  101.500   22.756   32.611   2.9838   28.635   3.4338 3.975756 4.549094 
1 1 1   21   26    8 o   12.237   1.7378   18.187   4.8803   17.500   6.8394   18.900   6.9658   11.844   2.5226   12.327   2.4790 -0.4825945 3.536805 
1 1 1   21   26    9 o   70.175   4.1459  613.895   68.396  617.400   96.796  610.400   96.656   68.383   6.0572   67.956   6.0878 0.4262772 8.587848 
1 1 1   21   26   10 o   30.007   2.1666  108.409   15.248   94.700   21.572  122.100   21.557   27.649   3.3740   31.614   2.9207 -3.964804 4.462537 
1 1 1   21   26   11 o   33.246   2.3137  133.334   18.051  141.700   25.477  124.900   25.579   33.952   3.2161   31.756   3.4674 2.195566 4.729266 
1 1 1   21   26   12 o   12.709   1.6948   19.577   4.9594   20.900   6.9456   18.200   7.0837   13.000   2.3490   12.070   2.5646 0.9303875 3.477776 
1 1 1   21   26   13 o   21.403   1.8576   55.097   9.2951   59.500   13.150   50.700   13.141   22.070   2.5715   20.279   2.8205 1.790607 3.816747 
1 1 1   21   26   14 o   31.106   2.1157  116.474   15.448  139.800   21.930   93.500   21.764   33.871   2.7660   27.412   3.4380 6.459806 4.412521 
1 1 1   21   26   15 o   6.7202   1.7881   5.5800   2.8873   1.4000   3.8913   10.700   4.3067   5.1363   2.0750   9.2793   2.0226 -4.142961 2.897642 
1 1 1   21   26   16 f   17.024   1.7926   34.987   7.0977   41.500   9.9718   28.300   10.105   18.425   2.3451   15.003   2.9574 3.422040 3.774347 
1 1 1   21   26   17 o   30.270   2.2809  110.951   16.184  131.400   22.777   90.100   23.000   32.679   2.9846   26.688   3.7533 5.990345 4.795312 
1 1 1   21   26   18 o   44.906   2.8501  247.000   30.066  336.100   42.520  157.900   42.520   51.960   3.4857   34.258   5.4379 17.70195 6.459122 
1 1 1   21   26   19 o   41.810   2.7293  213.907   26.798  243.100   37.861  184.600   37.935   43.968   3.6805   37.844   4.3226 6.124287 5.677201 
1 1 1   21   26   20 o   13.231   1.8821   21.412   5.7147   33.300   7.9498   8.7000   8.2205   16.503   2.0866   8.8753   3.1397 7.627891 3.769815 
1 1 1   21   26   21 o   20.141   2.6996   50.400   12.516   0.0000   0.0000   50.400   12.516  ?   ?    20.141   2.6996 0.000000 2.699641 
1 1 1   21   26   22 o   9.1289   2.4305   10.500   5.3325   0.0000   0.0000   10.500   5.3325  ?   ?    9.1289   2.4305 0.000000 2.430547 
1 1 1   21   26   23 o   13.071   2.5788   21.600   7.6767   0.0000   0.0000   21.600   7.6767  ?   ?    13.071   2.5788 0.000000 2.578773 
1 1 1   21   26   24 o   4.9717   1.8769   2.2000   3.0101   0.0000   0.0000   2.2000   3.0101  ?   ?    4.9717   1.8769 0.000000 1.876861 
1 1 1   21   26   25 o   20.201   2.7096   51.200   12.599   0.0000   0.0000   51.200   12.599  ?   ?    20.201   2.7096 0.000000 2.709587 
1 1 1   21   26   26 o   22.491   2.9423   64.000   15.252   0.0000   0.0000   64.000   15.252  ?   ?    22.491   2.9423 0.000000 2.942274 
1 1 1   21   26   27 o   11.237   2.8162   16.300   7.4579   0.0000   0.0000   16.300   7.4579  ?   ?    11.237   2.8162 0.000000 2.816248 
1 1 1   21   26   28 o   32.976   3.5062  141.100   26.883   0.0000   0.0000  141.100   26.883  ?   ?    32.976   3.5062 0.000000 3.506161 
1 1 1   21   26   29 o   20.625   2.8412   54.200   13.470   0.0000   0.0000   54.200   13.470  ?   ?    20.625   2.8412 0.000000 2.841195 
1 1 1   21   26   30 o   14.301   2.6201   26.300   8.5222   0.0000   0.0000   26.300   8.5222  ?   ?    14.301   2.6201 0.000000 2.620093 
1 1 1   21   26   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   26   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27    0 o   28.881   3.1421  103.300   20.786  103.300   20.786  103.300   20.786   28.881   3.1421   28.881   3.1421 0.000000 0.000000 
1 1 1   21   27    1 o   25.659   1.9721   79.084   11.858   67.800   16.720   90.500   16.819   23.445   3.0959   27.283   2.6438 -3.837557 4.071123 
1 1 1   21   27    2 o   36.820   2.4456  163.605   21.143  160.500   29.922  166.700   29.879   36.036   3.5630   36.767   3.4829 -0.7310715 4.982546 
1 1 1   21   27    3 o   26.995   2.0463   87.600   12.947   87.600   18.338   87.600   18.282   26.742   2.9533   26.745   2.9436 -0.3202438E-02 4.169735 
1 1 1   21   27    4 o   13.192   1.5358   20.969   4.6948   10.600   6.5534   31.900   6.7289   9.3034   2.7739   16.265   1.7811 -6.961912 3.296444 
1 1 1   21   27    5 o   6.1518   1.7388   4.6272   2.6380   7.8000   3.5893   0.9000   3.8903   7.9270   1.9345   4.9717   2.0495 2.955217 2.818341 
1 1 1   21   27    6 o   49.863   2.9539  302.420   34.625  340.300   49.052  264.800   48.883   52.278   4.0039   45.710   4.5908 6.567665 6.091566 
1 1 1   21   27    7 o   66.445   3.9162  547.823   61.174  610.100   86.532  485.600   86.494   68.696   5.3773   60.466   6.1431 8.229858 8.164096 
1 1 1   21   27    8 o   46.301   2.8743  260.585   31.271  250.100   44.193  271.100   44.254   44.613   4.2462   46.576   4.0644 -1.963810 5.877906 
1 1 1   21   27    9 o   29.689   2.1062  106.038   14.670  100.500   20.634  111.700   20.862   28.590   3.1064   30.209   2.9627 -1.619202 4.292676 
1 1 1   21   27   10 o   53.539   3.2567  351.162   40.978  385.400   57.941  316.900   57.962   55.224   4.4818   49.643   5.0132 5.581848 6.724473 
1 1 1   21   27   11 o   14.367   1.7306   24.956   5.7531   27.600   8.0526   22.200   8.2222   14.982   2.3538   13.324   2.7057 1.657748 3.586210 
1 1 1   21   27   12 o   39.892   2.6355  193.023   24.686  221.800   34.868  164.100   34.956   42.347   3.5188   36.042   4.1851 6.304672 5.467834 
1 1 1   21   27   13 o   30.327   2.1434  110.824   15.251  123.900   21.632   97.900   21.505   31.814   2.9118   28.104   3.3035 3.709906 4.403604 
1 1 1   21   27   14 o   9.0483   1.9297   10.160   3.9972   15.700   5.4288   3.6000   5.9074   11.264   2.1187   6.7302   2.6069 4.534092 3.359270 
1 1 1   21   27   15 o   15.846   1.7163   30.316   6.3192   27.000   8.7676   33.900   9.1161   14.728   2.6170   16.605   2.3940 -1.877905 3.546825 
1 1 1   21   27   16 o   20.362   1.8588   50.032   8.8387   57.200   12.473   42.800   12.527   21.609   2.4899   18.506   2.9670 3.103292 3.873329 
1 1 1   21   27   17 o   9.8440   1.8514   11.972   4.1457   16.100   5.7187   7.4000   6.0187   11.376   2.2084   8.0162   2.6927 3.360114 3.482526 
1 1 1   21   27   18 o   30.549   2.2083  113.150   15.823  134.400   22.377   91.900   22.377   33.006   2.9005   26.923   3.6107 6.083138 4.631415 
1 1 1   21   27   19 o   8.9031   2.0519   9.9165   4.2252   3.5000   6.3905   14.900   5.6319   6.8500   2.6946   10.911   2.2603 -4.060569 3.517053 
1 1 1   21   27   20 o   6.6330   2.2390   5.0000   4.1613   0.0000   0.0000   5.0000   4.1613  ?   ?    6.6330   2.2390 0.000000 2.238975 
1 1 1   21   27   21 o   17.144   2.6750   36.800   10.476   0.0000   0.0000   36.800   10.476  ?   ?    17.144   2.6750 0.000000 2.675013 
1 1 1   21   27   22 o   9.9275   2.4504   12.500   5.7096   0.0000   0.0000   12.500   5.7096  ?   ?    9.9275   2.4504 0.000000 2.450435 
1 1 1   21   27   23 o   14.609   2.6596   27.000   8.8366   0.0000   0.0000   27.000   8.8366  ?   ?    14.609   2.6596 0.000000 2.659564 
1 1 1   21   27   24 o   8.3852   2.4529   8.8000   5.1650   0.0000   0.0000   8.8000   5.1650  ?   ?    8.3852   2.4529 0.000000 2.452871 
1 1 1   21   27   25 o   23.144   2.9151   67.600   15.578   0.0000   0.0000   67.600   15.578  ?   ?    23.144   2.9151 0.000000 2.915129 
1 1 1   21   27   26 o   14.821   2.8081   28.100   9.4684   0.0000   0.0000   28.100   9.4684  ?   ?    14.821   2.8081 0.000000 2.808132 
1 1 1   21   27   27 o   10.598   2.5271   14.400   6.2353   0.0000   0.0000   14.400   6.2353  ?   ?    10.598   2.5271 0.000000 2.527086 
1 1 1   21   27   28 o   12.039   2.7822   18.800   7.7509   0.0000   0.0000   18.800   7.7509  ?   ?    12.039   2.7822 0.000000 2.782218 
1 1 1   21   27   29 o   16.814   2.7701   36.400   10.616   0.0000   0.0000   36.400   10.616  ?   ?    16.814   2.7701 0.000000 2.770111 
1 1 1   21   27   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   27   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28    0 o   29.312   3.1566  106.400   21.208  106.400   21.208  106.400   21.208   29.312   3.1566   29.312   3.1566 0.000000 0.000000 
1 1 1   21   28    1 o   2.9385   1.2335   0.1338   1.4466  -1.0000   1.8753   1.8000   2.2733   2.8815   1.3000   4.4211   1.6386 -1.539623 2.091685 
1 1 1   21   28    2 o   20.923   1.8593   52.638   9.0903   54.400   12.901   50.900   12.810   21.083   2.6500   20.361   2.7335 0.7225494 3.807160 
1 1 1   21   28    3 o   38.884   2.5388  182.800   23.184  182.200   32.783  183.400   32.790   38.342   3.6656   38.475   3.6529 -0.1333084 5.174982 
1 1 1   21   28    4 o   56.684   3.4108  394.350   45.441  407.900   64.264  380.800   64.264   56.574   4.8576   54.490   5.0519 2.083450 7.008404 
1 1 1   21   28    5 o   53.688   3.2230  352.534   40.671  373.900   57.607  331.300   57.427   54.402   4.5254   50.962   4.8298 3.440487 6.618605 
1 1 1   21   28    6 o   21.047   1.8310   53.246   9.0093   45.800   12.695   60.800   12.788   19.248   2.8817   22.351   2.4639 -3.102446 3.791432 
1 1 1   21   28    7 o   58.921   3.5628  428.048   49.337  414.200   69.895  441.800   69.652   56.542   5.2967   58.609   5.0832 -2.066452 7.341228 
1 1 1   21   28    8 o   18.242   1.7612   40.044   7.4923   39.700   10.505   40.400   10.688   17.981   2.5452   18.136   2.5675 -0.1547337 3.615294 
1 1 1   21   28    9 o   49.342   3.0253  297.123   35.079  291.200   49.498  303.100   49.722   47.979   4.4185   49.012   4.3412 -1.032509 6.194287 
1 1 1   21   28   10 o   55.663   3.2778  380.163   42.894  321.900   60.590  438.700   60.732   49.781   5.2327   58.944   4.3949 -9.163517 6.833429 
1 1 1   21   28   11 o   14.786   1.7293   26.425   5.9237   28.300   8.3238   24.500   8.4321   15.154   2.4065   14.020   2.6440 1.134712 3.575161 
1 1 1   21   28   12 o   35.601   2.3871  153.383   19.951  147.200   28.176  159.600   28.254   34.389   3.5193   35.894   3.3731 -1.504360 4.874803 
1 1 1   21   28   13 o   41.250   2.6772  207.181   25.937  211.700   36.554  202.600   36.807   41.074   3.8123   40.097   3.9382 0.9772873 5.481136 
1 1 1   21   28   14 o   35.054   2.3867  149.037   19.638  147.900   27.615  150.200   27.933   34.436   3.4422   34.698   3.4552 -0.2619362 4.877164 
1 1 1   21   28   15 o   21.415   1.8897   55.361   9.4581   52.800   13.276   58.000   13.478   20.645   2.7951   21.689   2.6893 -1.044323 3.878767 
1 1 1   21   28   16 o   30.737   2.1776  114.412   15.703  146.500   22.238   82.500   22.177   34.556   2.7480   25.405   3.8147 9.150820 4.701431 
1 1 1   21   28   17 o   30.581   2.2310  113.535   15.999  119.600   22.561  107.400   22.693   30.994   3.1253   29.247   3.3461 1.747137 4.578629 
1 1 1   21   28   18 o   16.443   1.6683   32.671   6.3879   44.400   9.3734   22.500   8.7287   19.077   2.1165   13.307   2.8628 5.769478 3.560190 
1 1 1   21   28   19 o   12.891   2.5246   20.900   7.4097   0.0000   0.0000   20.900   7.4097  ?   ?    12.891   2.5246 0.000000 2.524608 
1 1 1   21   28   20 o   28.519   3.1420  102.300   20.808   0.0000   0.0000  102.300   20.808  ?   ?    28.519   3.1420 0.000000 3.141965 
1 1 1   21   28   21 o   16.292   2.6175   33.300   9.7292   0.0000   0.0000   33.300   9.7292  ?   ?    16.292   2.6175 0.000000 2.617528 
1 1 1   21   28   22 o   13.549   2.5555   23.200   7.8766   0.0000   0.0000   23.200   7.8766  ?   ?    13.549   2.5555 0.000000 2.555522 
1 1 1   21   28   23 f   20.304   2.7592   51.800   12.886   0.0000   0.0000   51.800   12.886  ?   ?    20.304   2.7592 0.000000 2.759155 
1 1 1   21   28   24 o   20.267   2.7295   51.600   12.731   0.0000   0.0000   51.600   12.731  ?   ?    20.267   2.7295 0.000000 2.729476 
1 1 1   21   28   25 o   8.5829   2.4370   9.3000   5.1698   0.0000   0.0000   9.3000   5.1698  ?   ?    8.5829   2.4370 0.000000 2.437044 
1 1 1   21   28   26 o   14.370   2.7821   26.500   9.0995   0.0000   0.0000   26.500   9.0995  ?   ?    14.370   2.7821 0.000000 2.782095 
1 1 1   21   28   27 o   5.7463   2.1124   3.3000   3.7642   0.0000   0.0000   3.3000   3.7642  ?   ?    5.7463   2.1124 0.000000 2.112357 
1 1 1   21   28   28 o   30.217   3.3507  119.600   23.506   0.0000   0.0000  119.600   23.506  ?   ?    30.217   3.3507 0.000000 3.350737 
1 1 1   21   28   29 o   14.588   2.9173   28.100   9.6985   0.0000   0.0000   28.100   9.6985  ?   ?    14.588   2.9173 0.000000 2.917301 
1 1 1   21   28   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   28   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29    0 f   9.3233   3.1031   13.300   6.0842   13.300   6.0842   13.300   6.0842   9.3233   3.1031   9.3233   3.1031 0.000000 0.000000 
1 1 1   21   29    1 o   17.311   1.7699   36.100   7.1334   38.000   10.088   34.200   10.088   17.600   2.4974   16.639   2.6569 0.9613132 3.646402 
1 1 1   21   29    2 o   18.792   1.7835   42.489   7.8196   36.600   11.048   48.400   11.069   17.180   2.8213   19.927   2.4007 -2.746965 3.704450 
1 1 1   21   29    3 o   19.054   1.7288   43.622   7.6936   56.000   10.961   31.600   10.802   21.507   2.1888   15.892   2.9880 5.614511 3.703936 
1 1 1   21   29    4 o   16.384   1.7527   32.362   6.6758   36.700   9.4282   28.000   9.4540   17.323   2.3668   14.991   2.7727 2.331253 3.645545 
1 1 1   21   29    5 o   6.2379   1.7592   4.7643   2.7033   5.4000   3.6588   4.0000   4.0117   6.7276   2.0863   6.1882   2.1929 0.5393953 3.026797 
1 1 1   21   29    6 o   19.496   1.8361   45.764   8.3533   39.100   11.826   52.400   11.801   17.734   2.9260   20.724   2.4595 -2.989618 3.822372 
1 1 1   21   29    7 o   14.614   1.7368   25.820   5.8761   27.700   8.1638   23.800   8.4645   14.999   2.3849   13.806   2.6931 1.192772 3.597327 
1 1 1   21   29    8 o   59.991   3.4246  443.574   48.312  532.400   68.430  355.300   68.217   64.774   4.5019   51.823   5.6669 12.95054 7.237421 
1 1 1   21   29    9 o   15.119   1.7200   27.614   6.0311   29.000   8.4860   26.200   8.5731   15.336   2.4239   14.517   2.5962 0.8186779 3.551850 
1 1 1   21   29   10 o   44.660   2.8170  243.331   29.555  245.800   41.955  240.900   41.640   44.128   4.0722   43.674   4.0851 0.4539261 5.768107 
1 1 1   21   29   11 o   9.9831   1.7354   12.238   3.9426   16.300   5.5177   8.0000   5.6355   11.477   2.1138   8.1793   2.5970 3.297857 3.348505 
1 1 1   21   29   12 o   52.170   3.3099  336.703   40.564  364.900   57.163  308.100   57.573   53.226   4.5931   48.409   5.1140 4.817127 6.873786 
1 1 1   21   29   13 o   6.0982   1.7390   4.5553   2.6266   4.2000   3.5230   5.0000   3.9414   6.1089   2.0601   6.5897   2.1782 -0.4807363 2.998096 
1 1 1   21   29   14 o   64.382   3.9559  524.607   59.850  602.600   84.582  446.400   84.698   67.160   5.3785   56.328   6.4861 10.83190 8.426070 
1 1 1   21   29   15 o   26.442   2.1069   84.733   13.046   94.700   18.329   74.500   18.572   27.681   2.8446   24.321   3.3206 3.360123 4.372454 
1 1 1   21   29   16 o   13.469   1.7842   22.104   5.5350   29.900   7.8007   14.200   7.8548   15.598   2.1772   10.592   3.0027 5.006100 3.708952 
1 1 1   21   29   17 o   6.3427   2.2052   4.4000   4.0442   0.0000   0.0000   4.4000   4.0442  ?   ?    6.3427   2.2052 0.000000 2.205219 
1 1 1   21   29   18 o   8.6585   2.4209   9.4000   5.1426   0.0000   0.0000   9.4000   5.1426  ?   ?    8.6585   2.4209 0.000000 2.420908 
1 1 1   21   29   19 o   23.219   2.8815   67.500   15.460   0.0000   0.0000   67.500   15.460  ?   ?    23.219   2.8815 0.000000 2.881538 
1 1 1   21   29   20 o   28.057   3.1212   99.300   20.328   0.0000   0.0000   99.300   20.328  ?   ?    28.057   3.1212 0.000000 3.121196 
1 1 1   21   29   21 o   19.117   2.6802   45.800   11.767   0.0000   0.0000   45.800   11.767  ?   ?    19.117   2.6802 0.000000 2.680187 
1 1 1   21   29   22 o   29.643   3.2531  111.700   22.397   0.0000   0.0000  111.700   22.397  ?   ?    29.643   3.2531 0.000000 3.253090 
1 1 1   21   29   23 o   19.277   2.7048   46.700   11.973   0.0000   0.0000   46.700   11.973  ?   ?    19.277   2.7048 0.000000 2.704799 
1 1 1   21   29   24 o   25.817   3.0351   84.600   18.150   0.0000   0.0000   84.600   18.150  ?   ?    25.817   3.0351 0.000000 3.035064 
1 1 1   21   29   25 o   8.4179   2.7063   8.7000   6.1054   0.0000   0.0000   8.7000   6.1054  ?   ?    8.4179   2.7063 0.000000 2.706304 
1 1 1   21   29   26 o   14.916   2.7583   28.600   9.3570   0.0000   0.0000   28.600   9.3570  ?   ?    14.916   2.7583 0.000000 2.758252 
1 1 1   21   29   27 o   15.829   2.6834   32.200   9.6717   0.0000   0.0000   32.200   9.6717  ?   ?    15.829   2.6834 0.000000 2.683439 
1 1 1   21   29   28 o   4.7701   2.0434   0.1000   4.1086   0.0000   0.0000   0.1000   4.1086  ?   ?    4.7701   2.0434 0.000000 2.043434 
1 1 1   21   29   29 o   16.160   2.7886   34.500   10.256   0.0000   0.0000   34.500   10.256  ?   ?    16.160   2.7886 0.000000 2.788572 
1 1 1   21   29   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   29   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30    0 o   29.504   3.1761  108.000   21.479  108.000   21.479  108.000   21.479   29.504   3.1761   29.504   3.1761 0.000000 0.000000 
1 1 1   21   30    1 o   19.756   1.8627   47.036   8.5873   52.500   12.051   41.400   12.240   20.719   2.5146   18.244   2.9412 2.475166 3.869616 
1 1 1   21   30    2 o   23.153   1.8957   64.496   10.274   74.800   14.567   54.300   14.491   24.776   2.5252   20.921   3.0209 3.855497 3.937314 
1 1 1   21   30    3 o   15.485   1.7229   28.946   6.1928   28.700   8.6951   29.200   8.8222   15.238   2.5035   15.369   2.5182 -0.1312704 3.550899 
1 1 1   21   30    4 o   26.097   2.0337   82.066   12.433   79.200   17.634   84.900   17.534   25.334   3.0063   26.289   2.8711 -0.9551105 4.157039 
1 1 1   21   30    5 o   46.917   2.8920  268.694   31.883  222.700   45.038  314.900   45.141   41.621   4.6626   50.196   3.8375 -8.574440 6.038756 
1 1 1   21   30    6 o   48.895   3.0599  293.101   35.152  273.300   49.776  312.800   49.648   46.133   4.6318   49.667   4.2750 -3.533901 6.303098 
1 1 1   21   30    7 o   20.548   1.8387   50.881   8.8274   52.600   12.554   49.200   12.415   20.683   2.6298   19.971   2.7020 0.7119179 3.770452 
1 1 1   21   30    8 o   19.879   1.8302   47.652   8.4947   48.200   11.991   47.100   12.035   19.779   2.6328   19.534   2.6798 0.2448273 3.756713 
1 1 1   21   30    9 o   26.319   2.0204   83.583   12.461   77.500   17.598   89.700   17.648   24.999   3.0440   27.010   2.8080 -2.010868 4.141335 
1 1 1   21   30   10 o   38.153   2.4751  176.874   22.179  155.500   31.310  198.400   31.421   35.071   3.8436   39.953   3.3617 -4.882198 5.106332 
1 1 1   21   30   11 o   20.074   1.9170   48.741   8.9763   53.000   12.431   44.100   12.976   20.744   2.5945   18.750   3.0343 1.993248 3.992255 
1 1 1   21   30   12 o   40.198   2.5911  197.245   24.464  163.700   34.543  231.000   34.652   35.683   4.1787   42.992   3.4422 -7.308460 5.413868 
1 1 1   21   30   13 o   25.479   1.9987   78.503   11.929   91.000   16.936   66.200   16.804   27.202   2.6711   22.963   3.1848 4.239151 4.156626 
1 1 1   21   30   14 o   12.483   1.7977   19.043   5.1461   23.700   7.1713   14.100   7.3888   13.831   2.2748   10.548   2.8838 3.282916 3.672982 
1 1 1   21   30   15 o   31.851   2.2549  123.369   16.850  143.100   23.909  103.900   23.750   33.941   3.0145   28.579   3.5991 5.361275 4.694754 
1 1 1   21   30   16 o   12.093   2.5703   18.500   7.1137   0.0000   0.0000   18.500   7.1137  ?   ?    12.093   2.5703 0.000000 2.570298 
1 1 1   21   30   17 o   38.199   3.7954  187.400   33.782   0.0000   0.0000  187.400   33.782  ?   ?    38.199   3.7954 0.000000 3.795350 
1 1 1   21   30   18 o   21.183   2.8009   56.200   13.667   0.0000   0.0000   56.200   13.667  ?   ?    21.183   2.8009 0.000000 2.800871 
1 1 1   21   30   19 o   21.169   2.7972   56.200   13.640   0.0000   0.0000   56.200   13.640  ?   ?    21.169   2.7972 0.000000 2.797196 
1 1 1   21   30   20 o   19.913   2.7625   49.800   12.640   0.0000   0.0000   49.800   12.640  ?   ?    19.913   2.7625 0.000000 2.762542 
1 1 1   21   30   21 o   33.794   3.4918  146.300   27.463   0.0000   0.0000  146.300   27.463  ?   ?    33.794   3.4918 0.000000 3.491816 
1 1 1   21   30   22 o   15.319   2.6495   29.700   9.2376   0.0000   0.0000   29.700   9.2376  ?   ?    15.319   2.6495 0.000000 2.649469 
1 1 1   21   30   23 o   14.629   2.5736   27.100   8.5658   0.0000   0.0000   27.100   8.5658  ?   ?    14.629   2.5736 0.000000 2.573585 
1 1 1   21   30   24 o   16.740   2.8196   35.800   10.750   0.0000   0.0000   35.800   10.750  ?   ?    16.740   2.8196 0.000000 2.819642 
1 1 1   21   30   25 o   20.599   2.9838   54.600   14.091   0.0000   0.0000   54.600   14.091  ?   ?    20.599   2.9838 0.000000 2.983842 
1 1 1   21   30   26 o   6.9999   2.4789   5.5000   5.1257   0.0000   0.0000   5.5000   5.1257  ?   ?    6.9999   2.4789 0.000000 2.478893 
1 1 1   21   30   27 o   10.193   2.5356   13.600   6.0778   0.0000   0.0000   13.600   6.0778  ?   ?    10.193   2.5356 0.000000 2.535598 
1 1 1   21   30   28 o   10.165   2.7081   13.800   6.6171   0.0000   0.0000   13.800   6.6171  ?   ?    10.165   2.7081 0.000000 2.708095 
1 1 1   21   30   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   30   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31    0 o   21.301   2.8752   57.200   13.720   57.200   13.720   57.200   13.720   21.301   2.8752   21.301   2.8752 0.000000 0.000000 
1 1 1   21   31    1 o   32.616   2.2455  128.634   17.190  112.500   24.260  144.900   24.359   29.993   3.4907   34.302   3.0388 -4.308794 4.628120 
1 1 1   21   31    2 o   26.271   2.0247   83.253   12.463   85.300   17.614   81.200   17.637   26.314   2.8818   25.635   2.9686 0.6796455 4.137344 
1 1 1   21   31    3 o   30.768   2.1911  114.418   15.816  118.900   22.448  110.000   22.286   31.015   3.1069   29.771   3.2215 1.243965 4.475586 
1 1 1   21   31    4 o   44.199   2.7971  238.646   29.042  231.800   41.061  245.500   41.084   42.740   4.1195   44.086   3.9897 -1.346558 5.734762 
1 1 1   21   31    5 o   25.359   2.0101   77.613   11.938   80.000   16.836   75.200   16.930   25.477   2.8472   24.648   2.9686 0.8295021 4.113267 
1 1 1   21   31    6 o   26.173   2.0194   82.698   12.384   88.200   17.518   77.200   17.510   26.768   2.8136   24.941   3.0357 1.826572 4.139072 
1 1 1   21   31    7 o   30.828   2.2061  115.050   15.954  114.700   22.573  115.400   22.550   30.379   3.1946   30.479   3.1801 -0.1002350 4.507588 
1 1 1   21   31    8 o   14.216   1.7202   24.503   5.6569   24.700   7.9504   24.300   8.0506   14.086   2.4809   13.953   2.5368 0.1322222 3.548298 
1 1 1   21   31    9 o   14.482   1.8002   25.486   6.0233   31.200   8.3869   19.400   8.6558   15.919   2.2977   12.338   3.0000 3.580554 3.778802 
1 1 1   21   31   10 o   8.9175   2.0856   9.9475   4.3134   19.100   7.0616   4.5000   5.4479   12.335   2.5098   6.8381   2.5362 5.496788 3.568096 
1 1 1   21   31   11 o   58.270   3.4897  424.741   47.796  342.700   67.507  507.200   67.680   49.896   5.8400   62.399   4.6262 -12.50278 7.450310 
1 1 1   21   31   12 o   26.770   1.9705   86.629   12.369   69.900   17.281  104.200   17.711   23.583   3.1847   29.133   2.6019 -5.550028 4.112462 
1 1 1   21   31   13 o   30.771   2.2234  115.156   16.047  104.100   22.649  126.300   22.739   28.691   3.4098   31.829   3.0633 -3.137976 4.583723 
1 1 1   21   31   14 o   23.413   2.9048   68.500   15.715   0.0000   0.0000   68.500   15.715  ?   ?    23.413   2.9048 0.000000 2.904759 
1 1 1   21   31   15 o   22.934   2.8848   65.800   15.277   0.0000   0.0000   65.800   15.277  ?   ?    22.934   2.8848 0.000000 2.884778 
1 1 1   21   31   16 o   22.587   2.8616   63.900   14.921   0.0000   0.0000   63.900   14.921  ?   ?    22.587   2.8616 0.000000 2.861643 
1 1 1   21   31   17 o   33.422   3.4686  142.400   26.976   0.0000   0.0000  142.400   26.976  ?   ?    33.422   3.4686 0.000000 3.468625 
1 1 1   21   31   18 o   21.795   2.8651   59.700   14.388   0.0000   0.0000   59.700   14.388  ?   ?    21.795   2.8651 0.000000 2.865086 
1 1 1   21   31   19 o   34.410   3.5532  151.800   28.456   0.0000   0.0000  151.800   28.456  ?   ?    34.410   3.5532 0.000000 3.553239 
1 1 1   21   31   20 o   19.645   2.7847   48.600   12.556   0.0000   0.0000   48.600   12.556  ?   ?    19.645   2.7847 0.000000 2.784678 
1 1 1   21   31   21 o   17.641   2.6558   39.200   10.720   0.0000   0.0000   39.200   10.720  ?   ?    17.641   2.6558 0.000000 2.655775 
1 1 1   21   31   22 o   15.786   2.5954   31.500   9.3385   0.0000   0.0000   31.500   9.3385  ?   ?    15.786   2.5954 0.000000 2.595427 
1 1 1   21   31   23 o   28.653   3.2244  105.600   21.437   0.0000   0.0000  105.600   21.437  ?   ?    28.653   3.2244 0.000000 3.224391 
1 1 1   21   31   24 o   24.953   3.1008   80.400   17.877   0.0000   0.0000   80.400   17.877  ?   ?    24.953   3.1008 0.000000 3.100798 
1 1 1   21   31   25 o   18.024   2.8063   42.000   11.555   0.0000   0.0000   42.000   11.555  ?   ?    18.024   2.8063 0.000000 2.806340 
1 1 1   21   31   26 o   12.576   2.7442   20.900   7.9202   0.0000   0.0000   20.900   7.9202  ?   ?    12.576   2.7442 0.000000 2.744182 
1 1 1   21   31   27 o   8.8499   2.5772   10.300   5.7134   0.0000   0.0000   10.300   5.7134  ?   ?    8.8499   2.5772 0.000000 2.577232 
1 1 1   21   31   28 o   3.1569   1.5124  -4.3000   3.2244   0.0000   0.0000  -4.3000   3.2244  ?   ?    3.1569   1.5124 0.000000 1.512450 
1 1 1   21   31   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   31   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   32    0 o   13.324   2.9522   24.100   8.1208   24.100   8.1208   24.100   8.1208   13.324   2.9522   13.324   2.9522 0.000000 0.000000 
1 1 1   21   32    1 o   14.270   1.6961   24.671   5.6035   27.500   7.9654   21.900   7.8843   14.920   2.3376   13.209   2.6202 1.710920 3.511421 
1 1 1   21   32    2 o   38.315   2.5291  178.840   22.753  175.000   32.136  182.700   32.219   37.257   3.7018   38.124   3.6225 -0.8674011 5.179364 
1 1 1   21   32    3 o   11.013   1.6700   14.808   4.2066   23.900   6.0502   6.3000   5.8527   14.002   1.8772   7.5829   2.6519 6.418691 3.249076 
1 1 1   21   32    4 o   18.632   1.7772   41.915   7.7239   47.800   11.005   36.200   10.844   19.735   2.4116   17.021   2.7951 2.714725 3.691628 
1 1 1   21   32    5 o   29.955   2.1654  108.674   15.213   91.900   21.499  125.500   21.532   27.011   3.4493   31.900   2.8898 -4.888777 4.499856 
1 1 1   21   32    6 o   29.362   2.1502  104.427   14.804   97.600   20.901  111.300   20.972   27.945   3.2267   29.968   3.0040 -2.023691 4.408612 
1 1 1   21   32    7 o   23.336   2.0378   65.981   11.116   47.800   15.823   83.700   15.621   19.293   3.6057   26.122   2.5655 -6.829134 4.425308 
1 1 1   21   32    8 o   21.348   1.8045   55.000   9.0115   46.600   12.634   63.700   12.858   19.318   2.8555   22.798   2.4257 -3.479790 3.746725 
1 1 1   21   32    9 o   13.509   1.5913   22.100   4.9789   11.600   6.7661   34.500   7.3530   9.6251   2.8051   16.852   1.8798 -7.227061 3.376721 
1 1 1   21   32   10 f   28.867   2.1842  101.284   14.778  105.400   20.694   97.000   21.111   29.061   3.0616   27.756   3.2848 1.304932 4.490363 
1 1 1   21   32   11 o   12.583   1.6931   19.297   4.9030   9.4000   6.6479   31.100   7.2602   8.8072   2.8232   15.956   1.9686 -7.149118 3.441796 
1 1 1   21   32   12 o   47.495   4.5484  297.600   50.388   0.0000   0.0000  297.600   50.388  ?   ?    47.495   4.5484 0.000000 4.548406 
1 1 1   21   32   13 o   22.205   2.8635   61.700   14.665   0.0000   0.0000   61.700   14.665  ?   ?    22.205   2.8635 0.000000 2.863539 
1 1 1   21   32   14 o   24.476   2.9737   75.200   16.834   0.0000   0.0000   75.200   16.834  ?   ?    24.476   2.9737 0.000000 2.973671 
1 1 1   21   32   15 o   15.775   2.5706   31.200   9.2457   0.0000   0.0000   31.200   9.2457  ?   ?    15.775   2.5706 0.000000 2.570589 
1 1 1   21   32   16 o   44.859   4.3570  266.000   45.571   0.0000   0.0000  266.000   45.571  ?   ?    44.859   4.3570 0.000000 4.357028 
1 1 1   21   32   17 o   20.445   2.8067   52.500   13.192   0.0000   0.0000   52.500   13.192  ?   ?    20.445   2.8067 0.000000 2.806660 
1 1 1   21   32   18 o   15.389   2.6517   29.900   9.2884   0.0000   0.0000   29.900   9.2884  ?   ?    15.389   2.6517 0.000000 2.651706 
1 1 1   21   32   19 o   26.955   3.0935   92.100   19.333   0.0000   0.0000   92.100   19.333  ?   ?    26.955   3.0935 0.000000 3.093468 
1 1 1   21   32   20 o   28.904   3.1912  106.500   21.417   0.0000   0.0000  106.500   21.417  ?   ?    28.904   3.1912 0.000000 3.191224 
1 1 1   21   32   21 o   28.976   3.2298  107.600   21.723   0.0000   0.0000  107.600   21.723  ?   ?    28.976   3.2298 0.000000 3.229848 
1 1 1   21   32   22 o   11.391   2.5600   16.700   6.7185   0.0000   0.0000   16.700   6.7185  ?   ?    11.391   2.5600 0.000000 2.560045 
1 1 1   21   32   23 o   34.148   3.7490  156.100   29.733   0.0000   0.0000  156.100   29.733  ?   ?    34.148   3.7490 0.000000 3.749029 
1 1 1   21   32   24 o   21.551   2.9238   60.400   14.495   0.0000   0.0000   60.400   14.495  ?   ?    21.551   2.9238 0.000000 2.923846 
1 1 1   21   32   25 o   8.0167   2.6104   8.1000   5.6685   0.0000   0.0000   8.1000   5.6685  ?   ?    8.0167   2.6104 0.000000 2.610358 
1 1 1   21   32   26 o   8.9814   2.8988   10.600   6.9994   0.0000   0.0000   10.600   6.9994  ?   ?    8.9814   2.8988 0.000000 2.898752 
1 1 1   21   32   27 o   4.6371   1.9072   1.1000   3.3591   0.0000   0.0000   1.1000   3.3591  ?   ?    4.6371   1.9072 0.000000 1.907205 
1 1 1   21   32   28 o   11.669   2.5424   18.300   6.8074   0.0000   0.0000   18.300   6.8074  ?   ?    11.669   2.5424 0.000000 2.542367 
1 1 1   21   32   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   32   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   32   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   32   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   33    0 o   11.487   2.9050   18.500   6.8143   18.500   6.8143   18.500   6.8143   11.487   2.9050   11.487   2.9050 0.000000 0.000000 
1 1 1   21   33    1 o   28.658   2.1355   99.546   14.348  101.100   20.314   98.000   20.268   28.499   3.0669   28.032   3.1145 0.4669170 4.371024 
1 1 1   21   33    2 o   11.246   1.7827   15.509   4.5760   22.000   6.4423   8.9000   6.5011   13.358   2.1127   8.6243   2.7947 4.733378 3.503429 
1 1 1   21   33    3 o   28.639   2.1286   99.448   14.292   98.600   20.187  100.300   20.238   28.117   3.0915   28.371   3.0699 -0.2539539 4.356830 
1 1 1   21   33    4 o   60.285   3.6741  458.686   52.052  390.600   73.605  526.800   73.620   52.896   5.9989   62.948   4.9938 -10.05215 7.805423 
1 1 1   21   33    5 o   32.097   2.1948  125.086   16.535  143.100   23.459  107.300   23.310   33.974   2.9536   29.127   3.4566 4.846453 4.546637 
1 1 1   21   33    6 o   22.961   1.8818   63.762   10.114   72.000   14.426   55.800   14.183   24.173   2.5666   21.115   2.9229 3.058041 3.889847 
1 1 1   21   33    7 o   20.753   1.7713   52.029   8.5974   63.300   12.311   41.300   12.011   22.731   2.3264   18.116   2.9061 4.615273 3.722528 
1 1 1   21   33    8 f   27.552   2.0990   92.184   13.553  102.200   19.182   82.200   19.152   28.684   2.8705   25.518   3.2523 3.166204 4.337867 
1 1 1   21   33    9 o   25.134   2.0232   76.669   11.906   66.400   16.854   86.900   16.822   22.914   3.2024   26.487   2.7287 -3.572828 4.207268 
1 1 1   21   33   10 o   9.6330   1.8504   11.519   4.0562   10.300   5.6654   12.800   5.8099   9.0502   2.5447   10.052   2.4662 -1.002276 3.543665 
1 1 1   21   33   11 f   39.914   3.9203  205.700   36.472   0.0000   0.0000  205.700   36.472  ?   ?    39.914   3.9203 0.000000 3.920257 
1 1 1   21   33   12 o   20.564   2.7647   52.900   13.085   0.0000   0.0000   52.900   13.085  ?   ?    20.564   2.7647 0.000000 2.764696 
1 1 1   21   33   13 o   22.614   2.9062   64.200   15.160   0.0000   0.0000   64.200   15.160  ?   ?    22.614   2.9062 0.000000 2.906238 
1 1 1   21   33   14 o   4.7275   1.8402   1.7000   2.9551   0.0000   0.0000   1.7000   2.9551  ?   ?    4.7275   1.8402 0.000000 1.840243 
1 1 1   21   33   15 o   52.071   5.0293  370.200   61.070   0.0000   0.0000  370.200   61.070  ?   ?    52.071   5.0293 0.000000 5.029333 
1 1 1   21   33   16 o   10.770   2.5836   14.800   6.4861   0.0000   0.0000   14.800   6.4861  ?   ?    10.770   2.5836 0.000000 2.583601 
1 1 1   21   33   17 o   28.288   3.1940  101.700   20.962   0.0000   0.0000  101.700   20.962  ?   ?    28.288   3.1940 0.000000 3.193992 
1 1 1   21   33   18 o   33.667   3.5452  146.300   27.761   0.0000   0.0000  146.300   27.761  ?   ?    33.667   3.5452 0.000000 3.545156 
1 1 1   21   33   19 o   31.026   3.3158  123.500   23.916   0.0000   0.0000  123.500   23.916  ?   ?    31.026   3.3158 0.000000 3.315759 
1 1 1   21   33   20 o   7.6460   2.5319   7.0000   5.3246   0.0000   0.0000   7.0000   5.3246  ?   ?    7.6460   2.5319 0.000000 2.531917 
1 1 1   21   33   21 o   15.813   2.7263   32.100   9.8124   0.0000   0.0000   32.100   9.8124  ?   ?    15.813   2.7263 0.000000 2.726333 
1 1 1   21   33   22 o   8.9201   2.7196   10.200   6.2479   0.0000   0.0000   10.200   6.2479  ?   ?    8.9201   2.7196 0.000000 2.719553 
1 1 1   21   33   23 o   5.8706   2.1455   3.6000   3.8753   0.0000   0.0000   3.6000   3.8753  ?   ?    5.8706   2.1455 0.000000 2.145534 
1 1 1   21   33   24 o   14.909   2.6792   29.200   9.0857   0.0000   0.0000   29.200   9.0857  ?   ?    14.909   2.6792 0.000000 2.679217 
1 1 1   21   33   25 f   10.278   2.5558   14.100   6.1765   0.0000   0.0000   14.100   6.1765  ?   ?    10.278   2.5558 0.000000 2.555756 
1 1 1   21   33   26 o   4.5983   1.8773   1.2000   3.2247   0.0000   0.0000   1.2000   3.2247  ?   ?    4.5983   1.8773 0.000000 1.877311 
1 1 1   21   33   27 o   10.037   2.6128   13.700   6.2530   0.0000   0.0000   13.700   6.2530  ?   ?    10.037   2.6128 0.000000 2.612767 
1 1 1   21   33   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   33   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   33   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   33   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   34    0 o   30.368   3.2487  115.400   22.624  115.400   22.624  115.400   22.624   30.368   3.2487   30.368   3.2487 0.000000 0.000000 
1 1 1   21   34    1 o   25.858   2.0278   81.100   12.283   91.700   17.370   70.500   17.370   27.220   2.7397   23.637   3.1939 3.583317 4.207956 
1 1 1   21   34    2 o   4.4511   1.7021   1.6388   2.4959  -2.3000   3.7405   4.8000   3.3509   3.9713   1.8092   6.3445   2.0013 -2.373195 2.697872 
1 1 1   21   34    3 o   8.2417   1.7390   8.4452   3.2779  10.0000   4.8129   7.1000   4.4767   8.9138   2.2780   7.6104   2.2980 1.303436 3.235747 
1 1 1   21   34    4 o   13.612   1.7287   22.561   5.4310   19.900   7.6960   25.200   7.6654   12.523   2.6832   14.226   2.3649 -1.702606 3.576644 
1 1 1   21   34    5 o   13.241   1.7878   21.418   5.4473   27.200   7.5973   15.300   7.8145   14.827   2.2398   10.941   2.9552 3.886024 3.708078 
1 1 1   21   34    6 o   7.2725   2.0022   6.5808   3.5471   12.900   4.7889  -1.1000   5.2797   10.160   2.0664   5.1511   2.2604 5.009295 3.062540 
1 1 1   21   34    7 o   15.845   1.6067   30.360   5.9285   17.200   8.0218   46.200   8.8006   11.579   2.9311   19.490   1.9379 -7.910457 3.513803 
1 1 1   21   34    8 o   12.517   1.8972   19.267   5.4317   8.6000   7.6698   30.000   7.6935   8.6999   3.0362   15.607   2.1443 -6.906919 3.717030 
1 1 1   21   34    9 o   38.242   3.8007  188.100   33.867   0.0000   0.0000  188.100   33.867  ?   ?    38.242   3.8007 0.000000 3.800651 
1 1 1   21   34   10 o   18.191   2.7246   41.500   11.344   0.0000   0.0000   41.500   11.344  ?   ?    18.191   2.7246 0.000000 2.724609 
1 1 1   21   34   11 o   48.349   4.6657  312.400   52.606   0.0000   0.0000  312.400   52.606  ?   ?    48.349   4.6657 0.000000 4.665714 
1 1 1   21   34   12 o   42.360   4.1260  234.400   40.747   0.0000   0.0000  234.400   40.747  ?   ?    42.360   4.1260 0.000000 4.126004 
1 1 1   21   34   13 o   21.447   2.8578   57.800   14.113   0.0000   0.0000   57.800   14.113  ?   ?    21.447   2.8578 0.000000 2.857805 
1 1 1   21   34   14 o   33.903   3.5096  147.300   27.690   0.0000   0.0000  147.300   27.690  ?   ?    33.903   3.5096 0.000000 3.509562 
1 1 1   21   34   15 o   23.099   2.8438   67.100   15.184   0.0000   0.0000   67.100   15.184  ?   ?    23.099   2.8438 0.000000 2.843840 
1 1 1   21   34   16 o   24.105   2.9969   73.600   16.691   0.0000   0.0000   73.600   16.691  ?   ?    24.105   2.9969 0.000000 2.996891 
1 1 1   21   34   17 o   8.3090   2.3597   8.7000   4.8465   0.0000   0.0000   8.7000   4.8465  ?   ?    8.3090   2.3597 0.000000 2.359711 
1 1 1   21   34   18 o   10.576   2.8307   14.500   7.2091   0.0000   0.0000   14.500   7.2091  ?   ?    10.576   2.8307 0.000000 2.830745 
1 1 1   21   34   19 o   6.6775   2.3362   5.0000   4.5422   0.0000   0.0000   5.0000   4.5422  ?   ?    6.6775   2.3362 0.000000 2.336171 
1 1 1   21   34   20 o   15.882   2.7121   32.500   9.8064   0.0000   0.0000   32.500   9.8064  ?   ?    15.882   2.7121 0.000000 2.712122 
1 1 1   21   34   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   34   22 o   16.642   2.8353   36.500   10.743   0.0000   0.0000   36.500   10.743  ?   ?    16.642   2.8353 0.000000 2.835284 
1 1 1   21   34   23 o   14.167   2.7957   26.800   9.0204   0.0000   0.0000   26.800   9.0204  ?   ?    14.167   2.7957 0.000000 2.795682 
1 1 1   21   34   24 o   4.8660   1.9427   1.7000   3.3676   0.0000   0.0000   1.7000   3.3676  ?   ?    4.8660   1.9427 0.000000 1.942697 
1 1 1   21   34   25 o   5.7790   2.2160   3.2000   4.2375   0.0000   0.0000   3.2000   4.2375  ?   ?    5.7790   2.2160 0.000000 2.215973 
1 1 1   21   34   26 o   7.2088   2.2822   6.7000   4.3545   0.0000   0.0000   6.7000   4.3545  ?   ?    7.2088   2.2822 0.000000 2.282168 
1 1 1   21   34   27 o   8.0777   2.5373   8.7000   5.3920   0.0000   0.0000   8.7000   5.3920  ?   ?    8.0777   2.5373 0.000000 2.537299 
1 1 1   21   34   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   34   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   35    0 o   4.3821   2.3438   3.3000   3.3158   3.3000   3.3158   3.3000   3.3158   4.3821   2.3438   4.3821   2.3438 0.000000 0.000000 
1 1 1   21   35    1 o   42.297   2.7170  220.646   26.993  233.400   38.256  208.000   38.094   42.622   3.8424   40.009   4.0896 2.612175 5.611465 
1 1 1   21   35    2 o   22.627   1.9078   62.079   10.099   64.900   14.336   59.300   14.227   22.844   2.7106   21.773   2.8344 1.070898 3.921872 
1 1 1   21   35    3 o   26.996   1.9795   88.364   12.531  110.900   17.796   66.200   17.648   30.020   2.5341   22.763   3.3864 7.256472 4.229560 
1 1 1   21   35    4 o   7.0172   1.8291   6.1400   3.0619   8.2000   4.6815   4.6000   4.0476   8.1103   2.3246   6.4202   2.2076 1.690122 3.205832 
1 1 1   21   35    5 o   8.3974   1.9337   8.8295   3.7552   8.2000   4.8217   9.8000   5.9869   8.1205   2.3684   8.8690   2.6528 -0.7484636 3.556244 
1 1 1   21   35    6 o   26.888   3.0815   90.900   19.212   0.0000   0.0000   90.900   19.212  ?   ?    26.888   3.0815 0.000000 3.081470 
1 1 1   21   35    7 o   9.6084   2.5833   11.700   5.9880   0.0000   0.0000   11.700   5.9880  ?   ?    9.6084   2.5833 0.000000 2.583321 
1 1 1   21   35    8 o   17.807   2.7866   39.900   11.333   0.0000   0.0000   39.900   11.333  ?   ?    17.807   2.7866 0.000000 2.786578 
1 1 1   21   35    9 o   16.813   2.7408   35.600   10.506   0.0000   0.0000   35.600   10.506  ?   ?    16.813   2.7408 0.000000 2.740771 
1 1 1   21   35   10 o   26.696   3.0867   89.900   19.099   0.0000   0.0000   89.900   19.099  ?   ?    26.696   3.0867 0.000000 3.086658 
1 1 1   21   35   11 o   45.921   4.4621  281.100   47.774   0.0000   0.0000  281.100   47.774  ?   ?    45.921   4.4621 0.000000 4.462052 
1 1 1   21   35   12 f   65.361   6.7734  651.800  103.022   0.0000   0.0000  651.800  103.022  ?   ?    65.361   6.7734 0.000000 6.773360 
1 1 1   21   35   13 o   39.985   3.9946  209.700   37.212   0.0000   0.0000  209.700   37.212  ?   ?    39.985   3.9946 0.000000 3.994616 
1 1 1   21   35   14 o   36.076   3.7093  169.100   31.149   0.0000   0.0000  169.100   31.149  ?   ?    36.076   3.7093 0.000000 3.709317 
1 1 1   21   35   15 o   17.673   2.7826   39.700   11.229   0.0000   0.0000   39.700   11.229  ?   ?    17.673   2.7826 0.000000 2.782629 
1 1 1   21   35   16 o   2.1946   1.0969  -6.4000   2.3571   0.0000   0.0000  -6.4000   2.3571  ?   ?    2.1946   1.0969 0.000000 1.096937 
1 1 1   21   35   17 o   12.456   2.7148   20.100   7.7597   0.0000   0.0000   20.100   7.7597  ?   ?    12.456   2.7148 0.000000 2.714836 
1 1 1   21   35   18 o   10.816   2.9095   15.400   7.5930   0.0000   0.0000   15.400   7.5930  ?   ?    10.816   2.9095 0.000000 2.909472 
1 1 1   21   35   19 o   7.0558   2.2755   6.1000   4.3139   0.0000   0.0000   6.1000   4.3139  ?   ?    7.0558   2.2755 0.000000 2.275548 
1 1 1   21   35   20 o   6.8443   2.5001   5.1000   5.2611   0.0000   0.0000   5.1000   5.2611  ?   ?    6.8443   2.5001 0.000000 2.500109 
1 1 1   21   35   21 o   11.415   2.8041   17.500   7.5037   0.0000   0.0000   17.500   7.5037  ?   ?    11.415   2.8041 0.000000 2.804080 
1 1 1   21   35   22 o   20.123   2.9738   54.400   13.705   0.0000   0.0000   54.400   13.705  ?   ?    20.123   2.9738 0.000000 2.973774 
1 1 1   21   35   23 o   17.691   2.9034   42.300   11.707   0.0000   0.0000   42.300   11.707  ?   ?    17.691   2.9034 0.000000 2.903351 
1 1 1   21   35   24 o   8.5252   2.5753   9.7000   5.6216   0.0000   0.0000   9.7000   5.6216  ?   ?    8.5252   2.5753 0.000000 2.575319 
1 1 1   21   35   25 o   8.6910   2.6770   10.200   6.0352   0.0000   0.0000   10.200   6.0352  ?   ?    8.6910   2.6770 0.000000 2.676984 
1 1 1   21   35   26 o   8.4005   2.5034   9.5000   5.3387   0.0000   0.0000   9.5000   5.3387  ?   ?    8.4005   2.5034 0.000000 2.503426 
1 1 1   21   35   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   35   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   36    0 o   39.710   3.8447  198.900   35.276  198.900   35.276  198.900   35.276   39.710   3.8447   39.710   3.8447 0.000000 0.000000 
1 1 1   21   36    1 o   22.535   1.9218   61.637   10.129   64.400   14.357   58.900   14.291   22.734   2.7289   21.672   2.8626 1.061506 3.954975 
1 1 1   21   36    2 o   14.274   1.8119   24.878   5.9697   32.000   8.3973   17.600   8.4883   16.081   2.2749   11.687   3.0452 4.394502 3.801085 
1 1 1   21   36    3 o   18.213   1.7946   40.259   7.6179   38.500   10.802   42.000   10.745   17.514   2.6986   18.364   2.5464 -0.8501167 3.710294 
1 1 1   21   36    4 o   19.279   2.7432   46.600   12.136   0.0000   0.0000   46.600   12.136  ?   ?    19.279   2.7432 0.000000 2.743227 
1 1 1   21   36    5 o   13.876   2.7607   24.500   8.7274   0.0000   0.0000   24.500   8.7274  ?   ?    13.876   2.7607 0.000000 2.760666 
1 1 1   21   36    6 o   32.908   3.4562  138.200   26.456   0.0000   0.0000  138.200   26.456  ?   ?    32.908   3.4562 0.000000 3.456187 
1 1 1   21   36    7 o   19.513   2.7948   47.900   12.510   0.0000   0.0000   47.900   12.510  ?   ?    19.513   2.7948 0.000000 2.794832 
1 1 1   21   36    8 o   26.303   3.1500   87.700   19.176   0.0000   0.0000   87.700   19.176  ?   ?    26.303   3.1500 0.000000 3.149968 
1 1 1   21   36    9 o   16.774   2.7627   35.600   10.562   0.0000   0.0000   35.600   10.562  ?   ?    16.774   2.7627 0.000000 2.762725 
1 1 1   21   36   10 o   47.753   4.7042  309.400   52.356   0.0000   0.0000  309.400   52.356  ?   ?    47.753   4.7042 0.000000 4.704182 
1 1 1   21   36   11 o   15.053   2.7839   28.900   9.5314   0.0000   0.0000   28.900   9.5314  ?   ?    15.053   2.7839 0.000000 2.783915 
1 1 1   21   36   12 o   31.562   3.3628  128.100   24.677   0.0000   0.0000  128.100   24.677  ?   ?    31.562   3.3628 0.000000 3.362832 
1 1 1   21   36   13 o   24.894   3.0068   79.000   17.317   0.0000   0.0000   79.000   17.317  ?   ?    24.894   3.0068 0.000000 3.006789 
1 1 1   21   36   14 o   17.435   2.8054   38.900   11.158   0.0000   0.0000   38.900   11.158  ?   ?    17.435   2.8054 0.000000 2.805446 
1 1 1   21   36   15 o   16.093   2.9140   33.600   10.666   0.0000   0.0000   33.600   10.666  ?   ?    16.093   2.9140 0.000000 2.914009 
1 1 1   21   36   16 o   19.674   2.7932   49.800   12.612   0.0000   0.0000   49.800   12.612  ?   ?    19.674   2.7932 0.000000 2.793247 
1 1 1   21   36   17 o   14.804   2.7493   28.600   9.2568   0.0000   0.0000   28.600   9.2568  ?   ?    14.804   2.7493 0.000000 2.749272 
1 1 1   21   36   18 o   7.2352   2.3206   6.5000   4.4912   0.0000   0.0000   6.5000   4.4912  ?   ?    7.2352   2.3206 0.000000 2.320616 
1 1 1   21   36   19 o   6.6114   2.3755   4.9000   4.7231   0.0000   0.0000   4.9000   4.7231  ?   ?    6.6114   2.3755 0.000000 2.375455 
1 1 1   21   36   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   36   21 o   8.0560   2.7035   8.3000   6.0669   0.0000   0.0000   8.3000   6.0669  ?   ?    8.0560   2.7035 0.000000 2.703521 
1 1 1   21   36   22 o   7.4194   2.6953   6.5000   6.1026   0.0000   0.0000   6.5000   6.1026  ?   ?    7.4194   2.6953 0.000000 2.695311 
1 1 1   21   36   23 o   14.938   2.7002   30.100   9.1744   0.0000   0.0000   30.100   9.1744  ?   ?    14.938   2.7002 0.000000 2.700233 
1 1 1   21   36   24 o   7.0303   2.4942   6.0000   5.1914   0.0000   0.0000   6.0000   5.1914  ?   ?    7.0303   2.4942 0.000000 2.494192 
1 1 1   21   36   25 f   8.5672   2.7304   9.9000   6.2249   0.0000   0.0000   9.9000   6.2249  ?   ?    8.5672   2.7304 0.000000 2.730385 
1 1 1   21   36   26 o   7.0570   2.4040   6.3000   4.7976   0.0000   0.0000   6.3000   4.7976  ?   ?    7.0570   2.4040 0.000000 2.403957 
1 1 1   21   36   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37    0 o   6.1425   2.7993   6.6000   4.4073   6.6000   4.4073   6.6000   4.4073   6.1425   2.7993   6.1425   2.7993 0.000000 0.000000 
1 1 1   21   37    1 o   12.544   1.8237   19.332   5.2437   23.100   7.8530   16.300   7.0442   13.516   2.5541   11.285   2.6828 2.231284 3.704155 
1 1 1   21   37    2 o   11.681   2.7479   17.500   7.4530   0.0000   0.0000   17.500   7.4530  ?   ?    11.681   2.7479 0.000000 2.747878 
1 1 1   21   37    3 o   25.326   3.0825   81.200   18.054   0.0000   0.0000   81.200   18.054  ?   ?    25.326   3.0825 0.000000 3.082477 
1 1 1   21   37    4 o   32.961   3.4521  139.100   26.470   0.0000   0.0000  139.100   26.470  ?   ?    32.961   3.4521 0.000000 3.452085 
1 1 1   21   37    5 o   10.159   2.6674   13.200   6.4807   0.0000   0.0000   13.200   6.4807  ?   ?    10.159   2.6674 0.000000 2.667433 
1 1 1   21   37    6 o   34.646   3.5920  154.900   28.960   0.0000   0.0000  154.900   28.960  ?   ?    34.646   3.5920 0.000000 3.592016 
1 1 1   21   37    7 f   30.574   3.4006  120.100   24.135   0.0000   0.0000  120.100   24.135  ?   ?    30.574   3.4006 0.000000 3.400595 
1 1 1   21   37    8 o   7.2440   2.5608   5.8000   5.4675   0.0000   0.0000   5.8000   5.4675  ?   ?    7.2440   2.5608 0.000000 2.560765 
1 1 1   21   37    9 o   10.123   2.7861   13.200   6.8698   0.0000   0.0000   13.200   6.8698  ?   ?    10.123   2.7861 0.000000 2.786055 
1 1 1   21   37   10 o   21.044   2.9546   56.600   14.278   0.0000   0.0000   56.600   14.278  ?   ?    21.044   2.9546 0.000000 2.954558 
1 1 1   21   37   11 o   10.351   2.7787   13.900   6.9345   0.0000   0.0000   13.900   6.9345  ?   ?    10.351   2.7787 0.000000 2.778682 
1 1 1   21   37   12 o   10.339   2.7315   13.900   6.7684   0.0000   0.0000   13.900   6.7684  ?   ?    10.339   2.7315 0.000000 2.731482 
1 1 1   21   37   13 o   7.5756   2.4769   7.0000   5.1018   0.0000   0.0000   7.0000   5.1018  ?   ?    7.5756   2.4769 0.000000 2.476921 
1 1 1   21   37   14 o   7.9562   2.6210   7.8000   5.7087   0.0000   0.0000   7.8000   5.7087  ?   ?    7.9562   2.6210 0.000000 2.621021 
1 1 1   21   37   15 o   11.126   2.7662   16.400   7.2365   0.0000   0.0000   16.400   7.2365  ?   ?    11.126   2.7662 0.000000 2.766151 
1 1 1   21   37   16 o   12.997   2.7249   22.300   8.0956   0.0000   0.0000   22.300   8.0956  ?   ?    12.997   2.7249 0.000000 2.724860 
1 1 1   21   37   17 o   1.8447   0.9282  -5.6000   1.8283   0.0000   0.0000  -5.6000   1.8283  ?   ?    1.8447   0.9282 0.000000 0.9281520 
1 1 1   21   37   18 o   8.0525   2.7070   8.2000   6.0827   0.0000   0.0000   8.2000   6.0827  ?   ?    8.0525   2.7070 0.000000 2.707026 
1 1 1   21   37   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   37   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38    2 o   40.219   4.0800  215.600   38.212   0.0000   0.0000  215.600   38.212  ?   ?    40.219   4.0800 0.000000 4.079969 
1 1 1   21   38    3 o   14.396   2.7022   26.500   8.8487   0.0000   0.0000   26.500   8.8487  ?   ?    14.396   2.7022 0.000000 2.702244 
1 1 1   21   38    4 o   26.949   3.1323   93.000   19.561   0.0000   0.0000   93.000   19.561  ?   ?    26.949   3.1323 0.000000 3.132336 
1 1 1   21   38    5 o   13.166   2.6196   22.200   7.8578   0.0000   0.0000   22.200   7.8578  ?   ?    13.166   2.6196 0.000000 2.619589 
1 1 1   21   38    6 o   7.1838   2.4011   6.1000   4.7852   0.0000   0.0000   6.1000   4.7852  ?   ?    7.1838   2.4011 0.000000 2.401073 
1 1 1   21   38    7 o   20.338   2.8615   52.900   13.362   0.0000   0.0000   52.900   13.362  ?   ?    20.338   2.8615 0.000000 2.861491 
1 1 1   21   38    8 o   5.5106   2.2423   1.7000   4.5813   0.0000   0.0000   1.7000   4.5813  ?   ?    5.5106   2.2423 0.000000 2.242301 
1 1 1   21   38    9 o   7.4520   2.5641   6.5000   5.4608   0.0000   0.0000   6.5000   5.4608  ?   ?    7.4520   2.5641 0.000000 2.564110 
1 1 1   21   38   10 o   33.790   3.6640  153.100   28.767   0.0000   0.0000  153.100   28.767  ?   ?    33.790   3.6640 0.000000 3.663990 
1 1 1   21   38   11 o   22.488   3.0359   66.100   15.710   0.0000   0.0000   66.100   15.710  ?   ?    22.488   3.0359 0.000000 3.035946 
1 1 1   21   38   12 o   13.358   2.7124   23.400   8.2635   0.0000   0.0000   23.400   8.2635  ?   ?    13.358   2.7124 0.000000 2.712433 
1 1 1   21   38   13 o   23.714   3.0170   74.000   16.512   0.0000   0.0000   74.000   16.512  ?   ?    23.714   3.0170 0.000000 3.016999 
1 1 1   21   38   14 o   19.700   2.8812   51.200   13.006   0.0000   0.0000   51.200   13.006  ?   ?    19.700   2.8812 0.000000 2.881161 
1 1 1   21   38   15 o   19.617   3.0266   51.600   13.569   0.0000   0.0000   51.600   13.569  ?   ?    19.617   3.0266 0.000000 3.026584 
1 1 1   21   38   16 o   13.169   2.7231   23.200   8.1885   0.0000   0.0000   23.200   8.1885  ?   ?    13.169   2.7231 0.000000 2.723118 
1 1 1   21   38   17 o   16.650   2.8487   37.200   10.797   0.0000   0.0000   37.200   10.797  ?   ?    16.650   2.8487 0.000000 2.848706 
1 1 1   21   38   18 o   23.663   3.1537   76.800   17.183   0.0000   0.0000   76.800   17.183  ?   ?    23.663   3.1537 0.000000 3.153706 
1 1 1   21   38   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   38   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39    5 o   20.816   2.9535   56.300   14.110   0.0000   0.0000   56.300   14.110  ?   ?    20.816   2.9535 0.000000 2.953462 
1 1 1   21   39    6 o   9.0447   2.5617   10.600   5.7196   0.0000   0.0000   10.600   5.7196  ?   ?    9.0447   2.5617 0.000000 2.561672 
1 1 1   21   39    7 o   12.056   2.7070   19.100   7.5176   0.0000   0.0000   19.100   7.5176  ?   ?    12.056   2.7070 0.000000 2.706983 
1 1 1   21   39    8 o   10.250   2.6127   13.800   6.3424   0.0000   0.0000   13.800   6.3424  ?   ?    10.250   2.6127 0.000000 2.612677 
1 1 1   21   39    9 o   1.8051   0.9007  -4.1000   1.5580   0.0000   0.0000  -4.1000   1.5580  ?   ?    1.8051   0.9007 0.000000 0.9006568 
1 1 1   21   39   10 o   21.154   2.8700   58.700   13.966   0.0000   0.0000   58.700   13.966  ?   ?    21.154   2.8700 0.000000 2.869992 
1 1 1   21   39   11 o   19.542   2.8359   50.300   12.705   0.0000   0.0000   50.300   12.705  ?   ?    19.542   2.8359 0.000000 2.835901 
1 1 1   21   39   12 o   4.8509   2.0138   1.0000   3.7928   0.0000   0.0000   1.0000   3.7928  ?   ?    4.8509   2.0138 0.000000 2.013752 
1 1 1   21   39   13 o   2.6837   1.3015  -4.2000   2.5676   0.0000   0.0000  -4.2000   2.5676  ?   ?    2.6837   1.3015 0.000000 1.301476 
1 1 1   21   39   14 o   10.996   2.9733   16.600   7.9056   0.0000   0.0000   16.600   7.9056  ?   ?    10.996   2.9733 0.000000 2.973263 
1 1 1   21   39   15 o   34.201   3.9227  169.900   31.108   0.0000   0.0000  169.900   31.108  ?   ?    34.201   3.9227 0.000000 3.922718 
1 1 1   21   39   16 o   8.6241   2.5412   9.9000   5.5259   0.0000   0.0000   9.9000   5.5259  ?   ?    8.6241   2.5412 0.000000 2.541249 
1 1 1   21   39   17 o   20.178   3.0027   55.600   13.871   0.0000   0.0000   55.600   13.871  ?   ?    20.178   3.0027 0.000000 3.002654 
1 1 1   21   39   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   39   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40    9 o   11.675   2.7323   18.300   7.3994   0.0000   0.0000   18.300   7.3994  ?   ?    11.675   2.7323 0.000000 2.732309 
1 1 1   21   40   10 o   1.6482   0.8299  -4.6000   1.4763   0.0000   0.0000  -4.6000   1.4763  ?   ?    1.6482   0.8299 0.000000 0.8298854 
1 1 1   21   40   11 o   17.256   2.9364   40.100   11.537   0.0000   0.0000   40.100   11.537  ?   ?    17.256   2.9364 0.000000 2.936441 
1 1 1   21   40   12 o   2.8839   1.4034  -5.2000   3.0541   0.0000   0.0000  -5.2000   3.0541  ?   ?    2.8839   1.4034 0.000000 1.403357 
1 1 1   21   40   13 o   6.1007   2.4501   2.9000   5.3912   0.0000   0.0000   2.9000   5.3912  ?   ?    6.1007   2.4501 0.000000 2.450126 
1 1 1   21   40   14 o   13.190   2.9969   24.100   9.1218   0.0000   0.0000   24.100   9.1218  ?   ?    13.190   2.9969 0.000000 2.996852 
1 1 1   21   40   15 o   11.882   2.7002   19.200   7.4043   0.0000   0.0000   19.200   7.4043  ?   ?    11.882   2.7002 0.000000 2.700195 
1 1 1   21   40   16 o   13.338   2.8588   24.400   8.7335   0.0000   0.0000   24.400   8.7335  ?   ?    13.338   2.8588 0.000000 2.858795 
1 1 1   21   40   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   40   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   41   12 f   3.3215   1.5867  -4.4000   3.4932   0.0000   0.0000  -4.4000   3.4932  ?   ?    3.3215   1.5867 0.000000 1.586676 
1 1 1   21   41   13 o   4.8199   2.1182  -0.6000   4.6522   0.0000   0.0000  -0.6000   4.6522  ?   ?    4.8199   2.1182 0.000000 2.118246 
1 1 1   21   41   14 o   8.8426   2.6359   10.500   5.9183   0.0000   0.0000   10.500   5.9183  ?   ?    8.8426   2.6359 0.000000 2.635949 
1 1 1   21   41   15 o   9.6229   2.8920   12.800   7.1026   0.0000   0.0000   12.800   7.1026  ?   ?    9.6229   2.8920 0.000000 2.892013 
1 1 1   21   41   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   42   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   21   43    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0    0 o   85.011   6.9015  879.900  136.440  879.900  136.440  879.900  136.440   85.011   6.9015   85.011   6.9015 0.000000 0.000000 
1 1 1   22    0    1 o   34.304   2.3383  141.236   18.739  141.236   18.739  141.236   18.739   34.304   2.3383   34.304   2.3383 0.000000 0.000000 
1 1 1   22    0    2 o   31.939   2.2501  122.526   16.777  122.526   16.777  122.526   16.777   31.939   2.2501   31.939   2.2501 0.000000 0.000000 
1 1 1   22    0    3 o   30.382   2.1956  110.943   15.563  110.943   15.563  110.943   15.563   30.382   2.1956   30.382   2.1956 0.000000 0.000000 
1 1 1   22    0    4 o   9.9412   3.0651   14.600   6.2953   14.600   6.2953   14.600   6.2953   9.9412   3.0651   9.9412   3.0651 0.000000 0.000000 
1 1 1   22    0    5 o   78.981   4.3791  750.539   81.097  750.539   81.097  750.539   81.097   78.981   4.3791   78.981   4.3791 0.000000 0.000000 
1 1 1   22    0    6 o  103.579   5.7891  1300.86  140.582  1300.86  140.582  1300.86  140.582  103.579   5.7891  103.579   5.7891 0.000000 0.000000 
1 1 1   22    0    7 o   75.872   4.3093  692.997   76.637  692.997   76.637  692.997   76.637   75.872   4.3093   75.872   4.3093 0.000000 0.000000 
1 1 1   22    0    8 o  213.597   12.362  5891.87  618.718  5891.87  618.718  5891.87  618.718  213.597   12.362  213.597   12.362 0.000000 0.000000 
1 1 1   22    0    9 o   46.337   2.8655  257.561   31.079  257.561   31.079  257.561   31.079   46.337   2.8655   46.337   2.8655 0.000000 0.000000 
1 1 1   22    0   10 o   49.315   3.0626  292.007   35.349  292.007   35.349  292.007   35.349   49.315   3.0626   49.315   3.0626 0.000000 0.000000 
1 1 1   22    0   11 o   18.488   1.7417   41.492   7.4485   41.492   7.4485   41.492   7.4485   18.488   1.7417   18.488   1.7417 0.000000 0.000000 
1 1 1   22    0   12 o   25.778   2.0068   80.067   12.046   80.067   12.046   80.067   12.046   25.778   2.0068   25.778   2.0068 0.000000 0.000000 
1 1 1   22    0   13 o   39.198   2.5517  184.458   23.389  184.458   23.389  184.458   23.389   39.198   2.5517   39.198   2.5517 0.000000 0.000000 
1 1 1   22    0   14 o   79.610   4.5310  765.979   84.546  765.979   84.546  765.979   84.546   79.610   4.5310   79.610   4.5310 0.000000 0.000000 
1 1 1   22    0   15 o   12.964   1.7975   20.999   5.2006   20.999   5.2006   20.999   5.2006   12.964   1.7975   12.964   1.7975 0.000000 0.000000 
1 1 1   22    0   16 o   23.074   1.9536   64.381   10.469   64.381   10.469   64.381   10.469   23.074   1.9536   23.074   1.9536 0.000000 0.000000 
1 1 1   22    0   17 o   14.752   1.7570   26.830   5.8912   26.830   5.8912   26.830   5.8912   14.752   1.7570   14.752   1.7570 0.000000 0.000000 
1 1 1   22    0   18 o   42.850   2.6924  220.771   26.997  220.771   26.997  220.771   26.997   42.850   2.6924   42.850   2.6924 0.000000 0.000000 
1 1 1   22    0   19 f   20.553   1.8509   51.242   8.8151   51.242   8.8151   51.242   8.8151   20.553   1.8509   20.553   1.8509 0.000000 0.000000 
1 1 1   22    0   20 o   44.450   2.8807  238.313   29.945  238.313   29.945  238.313   29.945   44.450   2.8807   44.450   2.8807 0.000000 0.000000 
1 1 1   22    0   21 o   7.0537   2.1255   7.2954   3.0868   7.2954   3.0868   7.2954   3.0868   7.0537   2.1255   7.0537   2.1255 0.000000 0.000000 
1 1 1   22    0   22 o   3.7290   1.8781   2.4222   2.0417   2.4222   2.0417   2.4222   2.0417   3.7290   1.8781   3.7290   1.8781 0.000000 0.000000 
1 1 1   22    0   23 o   31.314   2.1811  118.231   15.948  118.231   15.948  118.231   15.948   31.314   2.1811   31.314   2.1811 0.000000 0.000000 
1 1 1   22    0   24 o   34.022   2.2506  139.508   17.900  139.508   17.900  139.508   17.900   34.022   2.2506   34.022   2.2506 0.000000 0.000000 
1 1 1   22    0   25 o   11.894   1.6038   17.656   4.2739   17.656   4.2739   17.656   4.2739   11.894   1.6038   11.894   1.6038 0.000000 0.000000 
1 1 1   22    0   26 o   38.310   2.4169  177.087   21.665  177.087   21.665  177.087   21.665   38.310   2.4169   38.310   2.4169 0.000000 0.000000 
1 1 1   22    0   27 o   19.787   1.7178   47.501   7.8868   47.501   7.8868   47.501   7.8868   19.787   1.7178   19.787   1.7178 0.000000 0.000000 
1 1 1   22    0   28 o   41.274   3.9757  212.500   37.923  212.500   37.923  212.500   37.923   41.274   3.9757   41.274   3.9757 0.000000 0.000000 
1 1 1   22    0   29 o   5.3437   2.9735   4.7000   5.5594   4.7000   5.5594   4.7000   5.5594   5.3437   2.9735   5.3437   2.9735 0.000000 0.000000 
1 1 1   22    0   30 o   17.698   2.9510   40.500   11.302   40.500   11.302   40.500   11.302   17.698   2.9510   17.698   2.9510 0.000000 0.000000 
1 1 1   22    0   31 o   45.522   4.3249  261.600   45.526  261.600   45.526  261.600   45.526   45.522   4.3249   45.522   4.3249 0.000000 0.000000 
1 1 1   22    0   32 o   3.3300   2.0263   1.2000   2.9857   1.2000   2.9857   1.2000   2.9857   3.3300   2.0263   3.3300   2.0263 0.000000 0.000000 
1 1 1   22    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    0   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1    0 o   35.992   3.4853  158.100   28.983  158.100   28.983  158.100   28.983   35.992   3.4853   35.992   3.4853 0.000000 0.000000 
1 1 1   22    1    1 o   73.301   4.1141  647.112   70.923  703.500  100.379  590.900  100.223   75.792   5.6491   69.172   6.2017 6.620354 8.388908 
1 1 1   22    1    2 o   14.819   1.6614   26.323   5.7134   33.100   8.0962   19.600   8.0637   16.573   2.1172   12.592   2.7858 3.981441 3.498979 
1 1 1   22    1    3 o   68.243   3.8550  559.876   61.869  513.000   87.427  606.900   87.565   64.588   5.7939   70.512   5.2977 -5.924202 7.850786 
1 1 1   22    1    4 o   80.063   4.4520  774.473   83.835  811.100  119.015  738.400  118.112   81.050   6.2672   77.161   6.5440 3.888977 9.061035 
1 1 1   22    1    5 o   43.589   2.6847  226.853   27.499  214.000   38.819  239.800   38.961   42.055   3.9555   44.594   3.7343 -2.539104 5.439762 
1 1 1   22    1    6 o   24.485   1.8779   71.466   10.775   60.800   15.179   82.300   15.298   22.403   2.9404   26.197   2.5035 -3.794067 3.861816 
1 1 1   22    1    7 o   69.250   3.8250  576.896   62.305  516.700   87.964  637.500   88.261   64.738   5.8162   72.249   5.2083 -7.510696 7.807398 
1 1 1   22    1    8 f   55.810   3.2753  373.376   42.975  392.000   60.816  354.800   60.737   56.791   4.5737   53.926   4.8205 2.864872 6.645028 
1 1 1   22    1    9 f   69.777   4.0059  587.170   65.728  609.600   92.911  564.700   92.996   70.392   5.6369   67.613   5.8833 2.778526 8.147906 
1 1 1   22    1   10 o   20.593   1.8047   50.641   8.6874   49.600   12.235   51.700   12.337   20.250   2.6202   20.688   2.5815 -0.4379234 3.678289 
1 1 1   22    1   11 o   36.738   2.4069  161.148   20.765  159.700   29.346  162.600   29.386   36.357   3.4600   36.695   3.4312 -0.3382607 4.872881 
1 1 1   22    1   12 o   24.812   1.8932   73.434   11.009   86.900   15.607   60.100   15.530   26.914   2.4837   22.235   3.0373 4.678869 3.923533 
1 1 1   22    1   13 o   28.413   2.0704   96.348   13.795   99.900   19.515   92.800   19.504   28.788   2.9108   27.711   3.0300 1.076458 4.201610 
1 1 1   22    1   14 o   49.314   2.9373  291.545   34.049  317.000   48.205  266.200   48.101   51.098   4.0278   46.666   4.4176 4.431919 5.978134 
1 1 1   22    1   15 o   12.817   1.6352   19.785   4.8366   21.600   6.8684   18.000   6.8119   13.294   2.2694   12.078   2.4718 1.216355 3.355559 
1 1 1   22    1   16 o   53.042   3.0491  337.986   38.030  382.300   53.883  294.000   53.683   56.046   4.0998   48.873   4.7099 7.173332 6.244339 
1 1 1   22    1   17 o   28.479   2.0615   96.931   13.770  103.100   19.503   90.800   19.444   29.217   2.8637   27.356   3.0626 1.860893 4.192908 
1 1 1   22    1   18 o   19.597   1.7961   45.990   8.2191   44.100   11.594   47.900   11.654   19.027   2.6526   19.868   2.5423 -0.8404961 3.674135 
1 1 1   22    1   19 o   31.221   2.1882  116.750   16.030  121.200   22.670  112.300   22.670   31.598   3.0773   30.368   3.2100 1.229965 4.446795 
1 1 1   22    1   20 o   7.3279   1.5758   6.6185   2.6457   12.400   3.9946   2.1000   3.5314   10.073   1.7425   5.2227   2.0176 4.850273 2.665877 
1 1 1   22    1   21 o   56.387   3.3367  386.923   44.230  435.500   62.568  338.400   62.534   59.119   4.5161   51.636   5.1994 7.483467 6.886865 
1 1 1   22    1   22 o   30.141   2.0845  109.022   14.745  125.000   20.904   93.200   20.802   32.090   2.7863   27.527   3.2638 4.562780 4.291355 
1 1 1   22    1   23 o   23.056   1.8636   63.795   10.059   70.400   14.286   57.300   14.167   24.065   2.5529   21.605   2.8462 2.459999 3.823409 
1 1 1   22    1   24 o   29.653   2.1047  105.757   14.642  123.200   20.732   88.400   20.681   31.806   2.7886   26.712   3.3527 5.094172 4.360789 
1 1 1   22    1   25 o   19.092   1.6515   43.744   7.3722   54.700   10.527   33.200   10.327   21.263   2.1251   16.350   2.7740 4.912714 3.494414 
1 1 1   22    1   26 o   30.403   2.0806  111.287   14.847  126.200   21.078   96.600   20.917   32.140   2.8054   27.931   3.2311 4.209185 4.279021 
1 1 1   22    1   27 o   29.387   2.0127  103.927   13.883  125.100   19.738   83.200   19.530   32.049   2.6314   25.866   3.2705 6.183149 4.197685 
1 1 1   22    1   28 o   42.628   3.9787  229.100   39.586  229.100   39.586   0.0000   0.0000   42.628   3.9787  ?   ?  0.000000 3.978681 
1 1 1   22    1   29 o   22.222   2.7550   60.900   14.147   60.900   14.147   0.0000   0.0000   22.222   2.7550  ?   ?  0.000000 2.754981 
1 1 1   22    1   30 o   65.024   6.0188  578.100   91.368  578.100   91.368   0.0000   0.0000   65.024   6.0188  ?   ?  0.000000 6.018833 
1 1 1   22    1   31 o   39.341   3.8093  196.700   34.944  196.700   34.944   0.0000   0.0000   39.341   3.8093  ?   ?  0.000000 3.809260 
1 1 1   22    1   32 o   28.859   3.1115  104.300   20.868  104.300   20.868   0.0000   0.0000   28.859   3.1115  ?   ?  0.000000 3.111460 
1 1 1   22    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    1   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2    0 o  107.825   8.7836  1451.70  220.227  1451.70  220.227  1451.70  220.227  107.825   8.7836  107.825   8.7836 0.000000 0.000000 
1 1 1   22    2    1 o  111.888   6.2745  1541.16  165.107  1585.30  233.464  1497.00  233.529  111.162   8.9704  107.718   9.2713 3.444427 12.90065 
1 1 1   22    2    2 o   87.698   4.9386  933.271  101.856  964.100  143.997  902.400  144.095   87.971   6.9895   84.923   7.2552 3.047897 10.07429 
1 1 1   22    2    3 o   45.896   2.8291  251.664   30.511  264.900   43.126  238.400   43.173   46.840   3.9356   44.357   4.1708 2.482750 5.734455 
1 1 1   22    2    4 o  122.606   6.8102  1864.65  196.391  1789.40  277.458  1940.20  278.020  116.733   10.167  122.093   9.7238 -5.360840 14.06855 
1 1 1   22    2    5 o   36.030   2.3220  154.770   19.650  142.100   27.703  167.600   27.877   34.308   3.4672   37.345   3.1918 -3.037193 4.712657 
1 1 1   22    2    6 o   76.115   4.3151  699.800   77.238  694.500  109.231  705.100  109.231   74.924   6.2305   75.525   6.1789 -0.6011734 8.774878 
1 1 1   22    2    7 o   98.140   5.5351  1178.64  127.749  1206.30  180.524  1150.90  180.805   97.541   7.9057   95.075   8.1316 2.465347 11.34124 
1 1 1   22    2    8 o   85.456   4.7458  886.453   95.390  975.800  134.976  797.300  134.828   88.638   6.4939   79.594   7.2532 9.043770 9.735532 
1 1 1   22    2    9 o   20.205   1.8129   48.765   8.5573   53.400   12.082   44.100   12.122   21.051   2.4780   19.049   2.7765 2.002542 3.721519 
1 1 1   22    2   10 o   61.197   3.5572  450.249   51.182  456.000   72.387  444.500   72.378   61.033   5.0685   60.224   5.1387 0.8091660 7.217716 
1 1 1   22    2   11 o   22.061   1.8758   58.123   9.6793   65.300   13.666   50.900   13.711   23.294   2.5250   20.457   2.9212 2.836407 3.861278 
1 1 1   22    2   12 o   64.426   3.6952  500.011   55.981  543.400   79.205  456.700   79.134   66.598   5.0747   60.794   5.5744 5.804031 7.538352 
1 1 1   22    2   13 o   94.078   5.2640  1085.99  116.472  1157.60  164.782  1014.50  164.650   95.449   7.3681   88.831   7.9328 6.617744 10.82675 
1 1 1   22    2   14 o   25.138   1.9711   75.463   11.607   70.300   16.435   80.600   16.393   24.082   2.9520   25.855   2.7261 -1.773180 4.018204 
1 1 1   22    2   15 o   62.583   3.6292  472.844   53.403  483.300   75.546  462.400   75.499   62.583   5.1580   61.143   5.2810 1.439320 7.381974 
1 1 1   22    2   16 o   71.229   4.0801  616.239   68.341  648.500   96.664  584.000   96.632   72.120   5.7230   68.199   6.0636 3.920952 8.337930 
1 1 1   22    2   17 o   41.564   2.6327  207.151   25.706  197.500   36.356  216.800   36.350   40.222   3.8758   42.222   3.6828 -2.000217 5.346490 
1 1 1   22    2   18 o   34.865   2.1528  145.290   17.637  180.400   25.036  110.700   24.850   38.722   2.7560   30.070   3.5693 8.652029 4.509495 
1 1 1   22    2   19 o   19.935   1.7896   47.598   8.3344   49.000   11.794   46.200   11.779   20.087   2.5435   19.477   2.6283 0.6102123 3.657473 
1 1 1   22    2   20 o   71.801   4.0672  633.024   68.675  720.700   97.191  545.600   97.052   75.460   5.4921   64.816   6.4257 10.64405 8.452970 
1 1 1   22    2   21 o   24.641   1.9472   72.798   11.238   77.300   15.896   68.300   15.889   25.221   2.7117   23.639   2.9078 1.582264 3.975994 
1 1 1   22    2   22 o   3.6032   1.3776   1.0452   1.6347   0.5000   2.6034   1.4000   2.1003   4.0372   1.6715   4.1114   1.5640 -0.7422733E-01 2.289139 
1 1 1   22    2   23 o   10.514   1.6080   13.446   3.8652   16.500   5.6179   10.700   5.3263   11.568   2.1352   9.2709   2.4105 2.297289 3.220209 
1 1 1   22    2   24 o   57.538   3.2853  405.301   44.452  482.200   62.946  328.800   62.783   61.985   4.3277   50.338   5.3645 11.64634 6.892496 
1 1 1   22    2   25 o   14.549   1.6644   25.544   5.6152   27.300   8.0756   23.900   7.8130   14.891   2.3765   13.890   2.4727 1.001465 3.429582 
1 1 1   22    2   26 f   35.806   2.3310  154.880   19.602  170.200   27.784  139.700   27.658   37.183   3.1955   33.500   3.5504 3.682472 4.776669 
1 1 1   22    2   27 o   21.662   1.8473   56.484   9.3592   63.000   13.252   50.000   13.220   22.710   2.5133   20.096   2.8670 2.614080 3.812644 
1 1 1   22    2   28 o   16.026   2.5679   31.800   9.3895   31.800   9.3895   0.0000   0.0000   16.026   2.5679  ?   ?  0.000000 2.567903 
1 1 1   22    2   29 o   24.609   2.8447   74.700   16.226   74.700   16.226   0.0000   0.0000   24.609   2.8447  ?   ?  0.000000 2.844745 
1 1 1   22    2   30 o   40.605   3.8666  208.500   36.626  208.500   36.626   0.0000   0.0000   40.605   3.8666  ?   ?  0.000000 3.866578 
1 1 1   22    2   31 o   32.129   3.2954  129.300   24.648  129.300   24.648   0.0000   0.0000   32.129   3.2954  ?   ?  0.000000 3.295415 
1 1 1   22    2   32 o   18.785   2.6217   43.900   11.312   43.900   11.312   0.0000   0.0000   18.785   2.6217  ?   ?  0.000000 2.621680 
1 1 1   22    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    2   46 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3    0 o  102.148   8.3096  1298.20  197.383  1298.20  197.383  1298.20  197.383  102.148   8.3096  102.148   8.3096 0.000000 0.000000 
1 1 1   22    3    1 o   83.257   4.6219  838.618   90.510  747.700  127.943  929.700  128.059   77.353   7.0831   86.805   6.2901 -9.451927 9.472936 
1 1 1   22    3    2 o   69.738   3.9443  585.117   64.688  530.300   91.455  640.000   91.510   65.593   5.9699   72.373   5.3934 -6.780502 8.045381 
1 1 1   22    3    3 o   72.700   4.1088  636.770   70.247  728.900   99.360  544.700   99.328   77.209   5.4855   66.256   6.4296 10.95254 8.451668 
1 1 1   22    3    4 o   23.655   1.8870   66.728   10.453   62.100   14.748   71.400   14.818   22.671   2.8155   24.368   2.6161 -1.696644 3.843264 
1 1 1   22    3    5 o   52.006   3.0976  323.692   37.867  312.000   53.533  335.400   53.571   50.670   4.5217   52.602   4.3519 -1.932613 6.275709 
1 1 1   22    3    6 f   16.310   1.7086   31.850   6.4828   29.900   9.1681   33.800   9.1681   15.658   2.5687   16.702   2.3930 -1.043867 3.510715 
1 1 1   22    3    7 o   15.950   1.6377   30.439   6.0805   26.600   8.5326   34.400   8.6674   14.752   2.5411   16.879   2.2291 -2.126591 3.380260 
1 1 1   22    3    8 o  101.284   5.5632  1256.74  132.544  1459.30  187.541  1054.60  187.351  107.678   7.4211   90.244   8.9080 17.43380 11.59420 
1 1 1   22    3    9 o   82.998   4.6307  835.836   90.395  789.300  127.683  882.600  127.994   79.375   6.8803   84.227   6.4853 -4.852531 9.455009 
1 1 1   22    3   10 o   54.089   3.2090  350.850   40.804  395.900   57.705  305.800   57.705   57.125   4.3096   49.940   4.9589 7.184200 6.569864 
1 1 1   22    3   11 o   40.705   2.5829  197.997   24.698  196.100   34.902  199.900   34.955   40.253   3.7138   40.653   3.6812 -0.3997383 5.229156 
1 1 1   22    3   12 o   31.457   2.1885  118.096   16.155  135.100   22.850  101.100   22.844   33.524   2.9154   28.857   3.4189 4.667244 4.493135 
1 1 1   22    3   13 o   73.483   4.2237  654.637   72.981  676.000  103.122  633.200  103.301   73.731   5.9743   71.204   6.2058 2.526672 8.614202 
1 1 1   22    3   14 o   46.314   2.8369  257.043   30.876  286.900   43.669  227.200   43.660   48.653   3.8321   43.096   4.3498 5.557076 5.797054 
1 1 1   22    3   15 o   96.538   5.4867  1152.51  124.559  1158.20  175.991  1146.80  176.315   94.469   7.9636   93.935   8.0258 0.5339813 11.30627 
1 1 1   22    3   16 o   41.807   2.6258  209.382   25.791  227.200   36.493  191.600   36.456   43.290   3.6026   39.623   3.9490 3.667473 5.345406 
1 1 1   22    3   17 o   19.610   1.8297   46.055   8.3748   50.600   11.773   41.400   11.915   20.447   2.4898   18.394   2.8343 2.053259 3.772551 
1 1 1   22    3   18 o   23.468   1.8813   65.871   10.338   71.800   14.656   60.000   14.584   24.376   2.5857   22.201   2.8476 2.174561 3.846366 
1 1 1   22    3   19 o   40.251   2.6863  194.954   25.386  220.400   35.794  169.200   36.009   42.502   3.6002   36.980   4.1981 5.522152 5.530403 
1 1 1   22    3   20 o   34.934   2.2734  146.368   18.652  165.200   26.436  127.700   26.320   36.897   3.0618   32.266   3.5111 4.631397 4.658584 
1 1 1   22    3   21 o   23.283   1.8973   65.000   10.340   64.200   14.620   65.800   14.627   22.946   2.7533   23.244   2.7162 -0.2975044 3.867565 
1 1 1   22    3   22 o   36.105   2.2818  156.698   19.353  186.100   27.441  127.600   27.299   39.118   2.9934   32.104   3.6668 7.014290 4.733526 
1 1 1   22    3   23 o   16.453   1.6527   32.532   6.3340   38.700   9.0080   26.500   8.9080   17.854   2.1821   14.612   2.6805 3.241504 3.456388 
1 1 1   22    3   24 o   31.480   2.0955  119.140   15.488  143.300   21.977   95.300   21.831   34.332   2.7335   27.720   3.4069 6.612223 4.367958 
1 1 1   22    3   25 o   4.6394   1.4929   2.4908   1.8575   2.8000   3.0071   2.3000   2.3621   5.2712   1.8953   4.7324   1.6820 0.5387964 2.534025 
1 1 1   22    3   26 o   15.810   1.6410   30.102   6.0371   33.400   8.6008   26.900   8.4759   16.525   2.2636   14.735   2.5269 1.790425 3.392528 
1 1 1   22    3   27 o   28.513   2.1077   98.050   14.091   99.300   19.923   96.800   19.931   28.388   3.0184   28.008   3.0636 0.3803921 4.300718 
1 1 1   22    3   28 o   18.889   1.5460   42.785   6.8353   55.300   9.7937   30.900   9.5443   21.400   1.9599   15.768   2.6579 5.632383 3.302354 
1 1 1   22    3   29 o   45.181   4.2044  259.900   44.341  259.900   44.341   0.0000   0.0000   45.181   4.2044  ?   ?  0.000000 4.204355 
1 1 1   22    3   30 f   18.802   2.6109   43.700   11.280   43.700   11.280   0.0000   0.0000   18.802   2.6109  ?   ?  0.000000 2.610930 
1 1 1   22    3   31 o   22.878   2.8177   65.000   14.900   65.000   14.900   0.0000   0.0000   22.878   2.8177  ?   ?  0.000000 2.817687 
1 1 1   22    3   32 o   8.9563   2.3715   10.100   5.0947   10.100   5.0947   0.0000   0.0000   8.9563   2.3715  ?   ?  0.000000 2.371546 
1 1 1   22    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    3   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4    0 o   46.841   4.1736  267.400   45.321  267.400   45.321  267.400   45.321   46.841   4.1736   46.841   4.1736 0.000000 0.000000 
1 1 1   22    4    1 o  111.821   6.2505  1539.73  164.384  1511.50  232.402  1568.00  232.546  108.270   9.1765  110.466   8.9930 -2.196709 12.84843 
1 1 1   22    4    2 o   75.024   4.1562  678.372   73.343  608.700  103.628  748.300  103.818   70.118   6.3269   78.142   5.6648 -8.024078 8.492332 
1 1 1   22    4    3 o   60.620   3.5026  440.829   49.924  452.600   70.666  429.100   70.541   60.953   4.9525   59.290   5.0878 1.663799 7.100225 
1 1 1   22    4    4 f  103.809   5.7860  1321.06  141.268  1269.10  199.715  1373.10  199.850   99.586   8.5764  103.939   8.2094 -4.352936 11.87225 
1 1 1   22    4    5 o   78.870   4.4567  752.350   82.663  751.200  116.908  753.500  116.897   77.830   6.4184   77.957   6.4069 -0.1265564 9.068857 
1 1 1   22    4    6 o   86.650   4.8196  911.563   98.225  870.300  138.765  953.000  139.057   83.323   7.1211   87.443   6.7877 -4.119919 9.837802 
1 1 1   22    4    7 o   17.815   1.7367   37.950   7.2128   37.700   10.196   38.200   10.205   17.632   2.5206   17.754   2.5036 -0.1218853 3.552645 
1 1 1   22    4    8 o   92.801   5.2065  1051.03  113.632  1110.50  160.726  991.600  160.673   93.950   7.3022   88.390   7.7772 5.560181 10.66803 
1 1 1   22    4    9 o   61.092   3.5524  448.599   51.025  453.400   72.165  443.800   72.156   60.870   5.0668   60.193   5.1253 0.6766891 7.207005 
1 1 1   22    4   10 o   60.438   3.5223  439.152   50.051  449.300   70.774  429.000   70.791   60.597   4.9905   59.150   5.1188 1.447025 7.148894 
1 1 1   22    4   11 o   21.692   1.8258   56.177   9.2653   66.200   13.118   46.200   13.088   23.476   2.4002   19.467   2.9387 4.008787 3.794306 
1 1 1   22    4   12 o   19.994   1.8328   47.795   8.5571   55.600   12.067   39.900   12.137   21.487   2.4203   18.057   2.9481 3.430300 3.814341 
1 1 1   22    4   13 o   44.459   2.7622  236.657   28.855  250.900   40.797  222.400   40.817   45.498   3.8330   42.738   4.0946 2.759583 5.608706 
1 1 1   22    4   14 o   7.6000   1.6446   7.1099   2.8658   7.5000   4.0034   6.7000   4.1041   7.8167   2.1168   7.4475   2.1888 0.3692031 3.044884 
1 1 1   22    4   15 o   22.756   1.8247   61.833   9.7225   74.500   13.787   49.300   13.713   24.904   2.3730   20.092   2.9808 4.812832 3.810039 
1 1 1   22    4   16 o   10.330   1.6698   12.972   3.9339   12.000   5.6305   13.900   5.4988   9.8427   2.4357   10.609   2.2640 -0.7658396 3.325446 
1 1 1   22    4   17 o   62.089   3.7148  467.699   54.215  498.800   76.489  436.300   76.855   63.358   5.1573   58.979   5.5849 4.378716 7.601896 
1 1 1   22    4   18 o   67.834   3.8981  560.738   62.178  650.900   87.963  470.700   87.902   72.254   5.1901   60.688   6.2219 11.56612 8.102412 
1 1 1   22    4   19 o   26.233   1.9977   82.394   12.282   87.200   17.379   77.600   17.359   26.821   2.7845   25.240   2.9693 1.581345 4.070665 
1 1 1   22    4   20 o   22.938   1.8816   63.035   10.102   66.200   14.321   59.900   14.251   23.350   2.6439   22.163   2.7846 1.187134 3.839798 
1 1 1   22    4   21 o   44.032   2.7427  234.182   28.376  250.400   40.152  218.000   40.107   45.078   3.8077   41.897   4.1067 3.180378 5.600329 
1 1 1   22    4   22 o   56.664   3.3394  391.997   44.485  432.100   62.953  352.000   62.870   58.671   4.5802   52.526   5.1345 6.145370 6.880545 
1 1 1   22    4   23 o   40.740   2.5083  200.318   24.013  233.700   34.027  167.200   33.893   43.668   3.3249   36.596   3.9865 7.071499 5.191038 
1 1 1   22    4   24 o   3.6585   1.3630   1.2044   1.5769   2.0000   2.7164   0.8000   1.9366   4.7559   1.7855   3.6887   1.4731 1.067153 2.314739 
1 1 1   22    4   25 o   39.658   2.5119  190.386   23.402  212.000   33.145  168.900   33.047   41.435   3.4181   36.728   3.8685 4.707123 5.162267 
1 1 1   22    4   26 o   25.484   1.7804   77.906   10.647   95.200   15.189   61.200   14.928   28.040   2.3147   22.265   2.9090 5.775814 3.717517 
1 1 1   22    4   27 o   36.237   2.4235  159.044   20.618  185.600   29.162  132.500   29.155   38.801   3.2117   32.420   3.8858 6.381363 5.041287 
1 1 1   22    4   28 o   57.457   3.0731  404.849   41.544  495.400   59.016  315.900   58.492   62.779   4.0018   49.142   5.1155 13.63703 6.494836 
1 1 1   22    4   29 o   20.876   2.6644   53.700   12.835   53.700   12.835   0.0000   0.0000   20.876   2.6644  ?   ?  0.000000 2.664354 
1 1 1   22    4   30 o   18.126   2.6261   40.700   10.913   40.700   10.913   0.0000   0.0000   18.126   2.6261  ?   ?  0.000000 2.626086 
1 1 1   22    4   31 o   3.5251   1.5260  -0.3000   2.3381  -0.3000   2.3381   0.0000   0.0000   3.5251   1.5260  ?   ?  0.000000 1.526024 
1 1 1   22    4   32 o   22.362   2.7750   62.300   14.338   62.300   14.338   0.0000   0.0000   22.362   2.7750  ?   ?  0.000000 2.774997 
1 1 1   22    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    4   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5    0 o   71.268   5.9027  622.500   97.769  622.500   97.769  622.500   97.769   71.268   5.9027   71.268   5.9027 0.000000 0.000000 
1 1 1   22    5    1 o   41.951   2.6343  210.098   25.963  217.100   36.722  203.100   36.713   42.423   3.7029   40.989   3.8377 1.433678 5.332853 
1 1 1   22    5    2 o   14.200   1.6760   24.207   5.5114   22.600   7.8113   25.800   7.7776   13.575   2.5299   14.560   2.3414 -0.9856415 3.447134 
1 1 1   22    5    3 o   4.9922   1.5163   2.9602   1.9449   2.1000   2.6917   3.9000   2.8134   4.8071   1.7828   5.7897   1.8346 -0.9826579 2.558094 
1 1 1   22    5    4 o   37.053   2.4105  163.788   20.976  172.300   29.685  155.300   29.644   37.829   3.3581   35.858   3.5475 1.971092 4.884795 
1 1 1   22    5    5 o   13.707   1.6890   22.584   5.3510   20.500   7.6320   24.600   7.5046   12.903   2.5948   14.213   2.3158 -1.309938 3.477951 
1 1 1   22    5    6 o   30.364   2.1608  109.963   15.392  102.300   21.787  117.600   21.749   29.096   3.2252   31.269   2.9816 -2.172348 4.392291 
1 1 1   22    5    7 o   71.895   4.0779  623.570   68.945  653.300   97.552  593.900   97.454   72.859   5.7160   69.297   6.0152 3.561172 8.297929 
1 1 1   22    5    8 o   39.640   2.5410  187.656   23.660  194.600   33.445  180.700   33.475   40.154   3.5643   38.646   3.7140 1.508205 5.147623 
1 1 1   22    5    9 o  113.089   6.3620  1586.85  169.203  1540.20  239.167  1633.60  239.411  108.333   9.4438  111.939   9.1370 -3.606201 13.14040 
1 1 1   22    5   10 f   5.2573   1.5740   3.3037   2.1069   2.0000   2.9297   4.7000   3.0320   4.8827   1.8496   6.2736   1.8905 -1.390879 2.644799 
1 1 1   22    5   11 f   25.608   1.9921   78.271   11.951   89.200   16.885   67.300   16.917   27.240   2.6590   23.534   3.1212 3.705933 4.100223 
1 1 1   22    5   12 o   60.927   3.5592  446.962   50.984  479.400   72.089  414.500   72.116   62.566   4.9191   57.970   5.3279 4.595863 7.251467 
1 1 1   22    5   13 o   56.340   3.3158  381.692   43.918  419.300   62.116  344.100   62.103   58.614   4.5229   52.856   5.0366 5.757641 6.769328 
1 1 1   22    5   14 o   35.488   2.3834  150.575   19.857  181.400   28.070  119.700   28.093   38.812   3.0884   31.276   3.8878 7.535925 4.965157 
1 1 1   22    5   15 o   59.433   3.4835  426.102   48.675  461.900   68.834  390.300   68.839   61.319   4.7919   56.115   5.2563 5.204300 7.112741 
1 1 1   22    5   16 o   26.423   1.9620   83.399   12.154  100.100   17.215   66.800   17.163   28.855   2.5530   23.387   3.1910 5.467258 4.086576 
1 1 1   22    5   17 o   39.920   2.6539  191.344   24.874  239.000   35.125  143.400   35.231   44.418   3.3740   33.973   4.5026 10.44516 5.626458 
1 1 1   22    5   18 o   51.158   3.1039  315.920   37.318  352.400   52.762  279.400   52.790   53.564   4.2052   47.387   4.7831 6.177086 6.368824 
1 1 1   22    5   19 o   28.912   2.1041  100.148   14.266  100.700   20.206   99.600   20.146   28.775   3.0188   28.613   3.0277 0.1619339 4.275505 
1 1 1   22    5   20 o   18.338   1.7671   40.358   7.5571   45.000   10.678   35.700   10.697   19.249   2.4014   17.032   2.7536 2.217089 3.653598 
1 1 1   22    5   21 o   22.707   1.8541   61.826   9.8551   70.400   13.957   53.300   13.917   24.101   2.4882   20.829   2.9089 3.272017 3.827936 
1 1 1   22    5   22 o   51.441   3.0043  321.284   36.335  365.100   51.483  277.800   51.288   54.254   4.0476   46.899   4.6942 7.355785 6.198337 
1 1 1   22    5   23 o   49.720   3.0386  300.993   35.503  309.500   50.231  292.500   50.187   49.664   4.3265   48.183   4.4617 1.480862 6.214888 
1 1 1   22    5   24 o   13.074   1.5945   20.642   4.8208   25.100   6.9039   16.400   6.7346   14.333   2.1023   11.448   2.5560 2.885000 3.309490 
1 1 1   22    5   25 o   22.085   1.7984   58.603   9.2974   66.500   13.231   50.900   13.068   23.377   2.4324   20.316   2.7981 3.060625 3.707597 
1 1 1   22    5   26 o   43.358   2.7609  228.812   28.119  232.100   39.692  225.500   39.842   43.007   3.9526   42.336   4.0342 0.6716080 5.647844 
1 1 1   22    5   27 o   30.880   2.1925  115.141   15.884  129.500   22.470  100.800   22.456   32.472   2.9631   28.434   3.4127 4.037392 4.519579 
1 1 1   22    5   28 o   11.537   1.5101   16.116   4.0153   21.600   5.8404   11.200   5.5293   13.302   1.9145   9.4560   2.4547 3.845932 3.113064 
1 1 1   22    5   29 o   14.447   1.5009   25.129   5.0458   32.100   7.3771   19.000   6.9167   16.250   1.9622   12.330   2.4619 3.920753 3.148171 
1 1 1   22    5   30 o   20.575   2.6538   52.300   12.593   52.300   12.593   0.0000   0.0000   20.575   2.6538  ?   ?  0.000000 2.653782 
1 1 1   22    5   31 o   9.3071   2.2992   10.900   5.0235   10.900   5.0235   0.0000   0.0000   9.3071   2.2992  ?   ?  0.000000 2.299221 
1 1 1   22    5   32 o   42.397   4.0706  233.000   40.252  233.000   40.252   0.0000   0.0000   42.397   4.0706  ?   ?  0.000000 4.070600 
1 1 1   22    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    5   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6    0 o   5.2174   2.4137   4.7000   3.2818   4.7000   3.2818   4.7000   3.2818   5.2174   2.4137   5.2174   2.4137 0.000000 0.000000 
1 1 1   22    6    1 o   73.665   4.1286  654.283   71.528  592.700  101.101  716.000  101.210   69.173   6.2572   76.394   5.6506 -7.220833 8.431038 
1 1 1   22    6    2 o   53.360   3.1700  340.954   39.763  316.900   56.238  365.000   56.229   50.999   4.7235   54.876   4.3756 -3.877525 6.438782 
1 1 1   22    6    3 f   61.707   3.5749  457.247   51.868  464.400   73.365  450.100   73.340   61.669   5.0834   60.672   5.1683 0.9965515 7.249290 
1 1 1   22    6    4 o   90.620   5.1021  1000.01  108.734  987.200  153.861  1012.80  153.687   88.555   7.4264   89.787   7.3123 -1.231270 10.42214 
1 1 1   22    6    5 o   86.633   4.7724  911.010   97.253  972.700  137.750  849.700  137.324   88.416   6.6464   82.287   7.1380 6.129036 9.753188 
1 1 1   22    6    6 o  105.820   5.9252  1377.93  147.464  1310.30  208.512  1445.60  208.579  100.719   8.8571  106.292   8.3781 -5.572380 12.19184 
1 1 1   22    6    7 o   31.604   2.1768  119.117   16.146   89.300   22.821  149.000   22.847   27.060   3.6659   35.265   2.7658 -8.205084 4.592213 
1 1 1   22    6    8 o   8.0847   1.6635   8.0264   3.0699   6.6000   4.3830   9.4000   4.3011   7.4496   2.2791   8.7267   2.1104 -1.277083 3.106107 
1 1 1   22    6    9 o   11.670   1.6703   16.457   4.4713   15.900   6.3669   17.000   6.2808   11.349   2.4478   11.756   2.3448 -0.4072533 3.389653 
1 1 1   22    6   10 o   15.112   1.6790   27.388   5.8901   26.100   8.2925   28.700   8.3678   14.613   2.4927   15.360   2.3844 -0.7473927 3.449438 
1 1 1   22    6   11 o   41.659   2.5454  207.344   24.920  181.300   35.170  233.600   35.313   38.626   3.9098   44.026   3.4237 -5.399918 5.196935 
1 1 1   22    6   12 o   64.044   3.7268  494.824   56.117  510.800   79.302  478.800   79.421   64.404   5.2604   62.243   5.4587 2.160122 7.580848 
1 1 1   22    6   13 o   28.064   2.0581   94.040   13.544  108.500   19.161   79.600   19.148   30.037   2.7313   25.582   3.2426 4.455267 4.239620 
1 1 1   22    6   14 o   38.493   2.5394  177.352   22.953  195.900   32.415  158.700   32.505   40.243   3.4443   36.071   3.8771 4.172062 5.186008 
1 1 1   22    6   15 o   26.586   2.0087   84.444   12.517   82.900   17.668   86.000   17.737   26.172   2.9080   26.673   2.8607 -0.5009441 4.079196 
1 1 1   22    6   16 o   92.210   5.1517  1051.79  111.726  1220.60  158.079  883.300  157.931   97.630   6.9014   81.577   8.3148 16.05382 10.80579 
1 1 1   22    6   17 o   12.625   1.6367   19.223   4.7644   11.300   6.6855   27.400   6.7915   9.6133   2.7845   15.057   1.9564 -5.443765 3.403096 
1 1 1   22    6   18 o   46.774   2.8899  263.613   31.763  291.200   44.909  236.000   44.930   48.764   3.9335   43.660   4.4188 5.103363 5.915934 
1 1 1   22    6   19 o   31.039   2.1839  115.501   15.905  116.700   22.484  114.300   22.501   30.962   3.1178   30.627   3.1565 0.3346596 4.436668 
1 1 1   22    6   20 o   28.203   2.0504   95.362   13.562  110.900   19.203   79.900   19.156   30.261   2.7162   25.496   3.2560 4.765158 4.240203 
1 1 1   22    6   21 f   26.235   2.0503   82.658   12.601   91.900   17.765   73.300   17.877   27.487   2.7749   24.402   3.1778 3.085266 4.218798 
1 1 1   22    6   22 o   48.942   3.0106  291.111   34.625  319.800   48.957  262.400   48.976   50.687   4.1261   45.592   4.6126 5.094673 6.188792 
1 1 1   22    6   23 o   59.346   3.3871  431.674   47.269  509.800   66.946  354.000   66.752   63.652   4.4827   52.184   5.4999 11.46752 7.095316 
1 1 1   22    6   24 o   55.853   3.3052  382.671   43.398  421.900   61.435  343.600   61.312   57.714   4.5447   51.607   5.0979 6.106895 6.829521 
1 1 1   22    6   25 o   22.543   1.7716   61.012   9.3543   70.500   13.328   51.800   13.132   24.092   2.3735   20.500   2.7848 3.591862 3.659093 
1 1 1   22    6   26 o   15.735   1.5499   29.762   5.6841   42.100   8.1723   18.200   7.9112   18.675   1.8787   12.012   2.8348 6.663047 3.400817 
1 1 1   22    6   27 o   12.813   1.6335   19.885   4.8302   24.200   6.8834   15.700   6.7796   14.044   2.1436   11.172   2.6159 2.871271 3.381970 
1 1 1   22    6   28 o   18.441   1.6201   40.862   6.9832   50.400   10.033   31.900   9.7257   20.380   2.1156   16.021   2.6643 4.359175 3.402098 
1 1 1   22    6   29 o   16.785   1.5768   33.887   6.1766   42.300   8.8505   25.900   8.6240   18.665   2.0413   14.401   2.6330 4.263868 3.331662 
1 1 1   22    6   30 o   13.335   1.4249   21.422   4.4173   28.800   6.4490   14.900   6.0630   15.404   1.8072   10.887   2.4210 4.517597 3.021181 
1 1 1   22    6   31 o   48.882   4.5736  313.600   52.179  313.600   52.179   0.0000   0.0000   48.882   4.5736  ?   ?  0.000000 4.573649 
1 1 1   22    6   32 o   17.440   2.7422   38.200   10.920   38.200   10.920   0.0000   0.0000   17.440   2.7422  ?   ?  0.000000 2.742222 
1 1 1   22    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    6   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7    0 o   32.807   3.2949  131.600   24.935  131.600   24.935  131.600   24.935   32.807   3.2949   32.807   3.2949 0.000000 0.000000 
1 1 1   22    7    1 o   62.926   3.6350  475.750   53.783  478.300   76.063  473.200   76.059   62.538   5.1978   62.189   5.2279 0.3490562 7.372118 
1 1 1   22    7    2 o   85.183   4.7065  879.942   94.303  987.800  133.431  772.300  133.298   89.311   6.3686   78.354   7.2880 10.95717 9.678546 
1 1 1   22    7    3 o   60.611   3.5064  441.030   49.971  462.100   70.705  420.000   70.636   61.571   4.9037   58.584   5.1587 2.987232 7.117510 
1 1 1   22    7    4 o   47.736   2.9115  272.558   32.662  264.400   46.215  280.700   46.169   46.678   4.2390   48.147   4.0999 -1.468792 5.897349 
1 1 1   22    7    5 o  150.100   8.5948  2887.73  303.366  2571.00  428.975  3204.60  429.073  133.706   13.784  152.604   12.004 -18.89795 18.27855 
1 1 1   22    7    6 o   72.007   4.1062  625.903   69.530  607.100   98.338  644.700   98.322   70.052   6.0028   72.305   5.8076 -2.253922 8.352403 
1 1 1   22    7    7 o   28.560   2.0895   97.311   13.994   83.800   19.799  110.800   19.782   26.285   3.2598   30.371   2.7895 -4.086500 4.290433 
1 1 1   22    7    8 o   72.243   4.0829  630.394   69.365  654.700   98.211  606.200   97.985   72.831   5.7575   69.941   5.9907 2.890053 8.308923 
1 1 1   22    7    9 f   52.894   3.1155  335.363   38.741  356.200   54.837  314.600   54.740   54.150   4.3247   50.769   4.6165 3.380436 6.325758 
1 1 1   22    7   10 o   64.910   3.7412  507.795   57.101  523.100   80.766  492.500   80.742   65.234   5.2887   63.202   5.4638 2.031689 7.604172 
1 1 1   22    7   11 o  111.875   6.3108  1558.97  166.037  1625.90  234.865  1492.10  234.759  111.323   9.0119  106.077   9.4718 5.245819 13.07397 
1 1 1   22    7   12 f   54.678   3.2435  359.304   41.692  366.300   58.946  352.300   58.976   54.730   4.6038   53.627   4.7048 1.103214 6.582600 
1 1 1   22    7   13 o   24.832   1.9454   73.645   11.316   73.000   15.945   74.300   16.062   24.574   2.7978   24.796   2.7919 -0.2217522 3.952471 
1 1 1   22    7   14 o   44.443   2.7895  236.836   29.126  251.000   41.139  222.600   41.243   45.444   3.8706   42.687   4.1438 2.756828 5.670331 
1 1 1   22    7   15 o   39.032   2.5301  182.465   23.194  199.900   32.788  165.000   32.816   40.622   3.4508   36.765   3.8364 3.856647 5.160076 
1 1 1   22    7   16 o   22.648   1.8723   61.342   9.9233   68.800   14.041   53.900   14.026   23.876   2.5290   21.021   2.9031 2.854799 3.850186 
1 1 1   22    7   17 o   15.862   1.7095   30.214   6.3019   28.600   8.9523   31.800   8.8727   15.266   2.5751   16.153   2.3991 -0.8872461 3.519439 
1 1 1   22    7   18 o   62.058   3.6403  468.796   53.112  530.500   75.114  407.100   75.109   65.245   4.9114   56.599   5.6973 8.645939 7.522026 
1 1 1   22    7   19 o   12.181   1.6535   17.945   4.6333   19.300   6.5654   16.600   6.5396   12.518   2.3060   11.563   2.4701 0.9551268 3.379168 
1 1 1   22    7   20 o   23.128   1.8935   64.139   10.250   74.100   14.504   54.200   14.488   24.733   2.5186   20.988   3.0094 3.744177 3.924295 
1 1 1   22    7   21 o   37.413   2.5052  168.803   22.004  190.100   31.080  147.400   31.157   39.388   3.3742   34.434   3.9007 4.954113 5.157564 
1 1 1   22    7   22 o   12.433   1.6807   18.727   4.8079   20.300   6.7422   17.100   6.8582   12.826   2.3112   11.705   2.5531 1.120296 3.443816 
1 1 1   22    7   23 o   37.841   2.3583  172.643   20.967  207.700   29.719  137.900   29.586   41.231   3.0746   33.225   3.8419 8.005695 4.920726 
1 1 1   22    7   24 o   42.751   2.6669  221.684   26.788  252.000   37.925  191.500   37.842   45.118   3.5894   38.975   4.1769 6.143097 5.507288 
1 1 1   22    7   25 o   20.700   1.6829   51.419   8.1548   63.600   11.646   39.700   11.423   22.923   2.1777   17.900   2.7937 5.022671 3.542164 
1 1 1   22    7   26 o   29.533   2.0860  105.084   14.454  126.200   20.473   84.100   20.409   32.162   2.7213   25.957   3.4124 6.205168 4.364604 
1 1 1   22    7   27 o   23.057   1.9117   64.050   10.314   76.300   14.587   51.800   14.587   25.011   2.5034   20.363   3.1341 4.648973 4.011198 
1 1 1   22    7   28 o   15.996   1.6792   30.869   6.2480   34.100   8.8788   27.700   8.7938   16.670   2.3184   14.923   2.5895 1.746992 3.475693 
1 1 1   22    7   29 o   14.423   1.5934   25.112   5.3365   30.200   7.6542   20.300   7.4440   15.715   2.1164   12.726   2.5657 2.988688 3.325966 
1 1 1   22    7   30 o   44.351   2.6172  240.344   27.288  276.700   38.729  204.500   38.455   46.976   3.5169   39.902   4.1417 7.073925 5.433453 
1 1 1   22    7   31 o   21.102   2.6989   55.300   13.140   55.300   13.140   0.0000   0.0000   21.102   2.6989  ?   ?  0.000000 2.698891 
1 1 1   22    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    7   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8    0 o   16.430   2.6701   34.400   9.5387   34.400   9.5387   34.400   9.5387   16.430   2.6701   16.430   2.6701 0.000000 0.000000 
1 1 1   22    8    1 f   39.919   2.4556  190.105   23.035  224.900   32.620  155.500   32.532   43.282   3.2147   35.786   3.9135 7.495506 5.064541 
1 1 1   22    8    2 o   76.902   4.2938  714.655   77.662  626.300  109.771  803.200  109.889   70.849   6.6388   80.795   5.7984 -9.946136 8.814426 
1 1 1   22    8    3 o   12.723   1.6932   19.510   4.9609   12.800   7.0477   26.100   6.9842   10.214   2.8264   14.690   2.0708 -4.476700 3.503830 
1 1 1   22    8    4 o   46.327   2.8423  256.655   30.943  234.500   43.765  278.800   43.755   43.919   4.2742   48.033   3.8911 -4.114727 5.780086 
1 1 1   22    8    5 o   96.836   5.2496  1145.41  119.591  988.100  168.998  1303.20  169.257   87.799   8.2480  101.950   7.0745 -14.15068 10.86635 
1 1 1   22    8    6 o   72.958   4.0431  642.400   69.382  710.100   98.230  575.000   98.012   76.028   5.5089   68.038   6.1675 7.989983 8.269599 
1 1 1   22    8    7 o   57.838   3.2577  401.205   44.311  449.800   62.792  353.000   62.540   60.874   4.3979   53.673   4.9917 7.200485 6.652703 
1 1 1   22    8    8 o  133.112   7.6004  2244.89  237.909  2272.50  336.513  2217.30  336.395  129.027   11.155  127.195   11.318 1.832405 15.89109 
1 1 1   22    8    9 o   45.337   2.7940  245.950   29.766  245.900   42.084  246.000   42.108   45.022   4.0002   45.031   4.0017 -0.8773804E-02 5.658149 
1 1 1   22    8   10 o   16.305   1.7008   31.844   6.4519   34.800   9.1341   28.900   9.1147   16.951   2.3448   15.371   2.6042 1.579728 3.504243 
1 1 1   22    8   11 o   77.395   4.3609  727.546   79.374  760.900  112.342  694.300  112.161   78.104   6.1408   74.385   6.4493 3.718208 8.905215 
1 1 1   22    8   12 o   9.3203   1.6435   10.598   3.4850   10.800   4.9510   10.400   4.9064   9.3452   2.2668   9.1724   2.2761 0.1727934 3.212305 
1 1 1   22    8   13 o   8.8510   1.6520   9.5853   3.3257   5.4000   4.6951   13.800   4.7115   7.0036   2.3782   10.616   1.9513 -3.612865 3.076243 
1 1 1   22    8   14 o   47.163   2.8415  266.839   31.498  307.500   44.578  226.300   44.511   50.346   3.7771   42.914   4.4575 7.432873 5.842628 
1 1 1   22    8   15 o   36.655   2.3116  160.680   19.906  190.000   28.233  131.700   28.069   39.697   3.0349   32.833   3.6840 6.864063 4.773070 
1 1 1   22    8   16 o   30.477   2.1840  111.177   15.613  123.800   22.057   98.500   22.104   31.997   2.9527   28.405   3.3606 3.591427 4.473429 
1 1 1   22    8   17 o   46.202   2.9050  257.219   31.532  306.500   44.562  207.800   44.625   50.107   3.7944   40.825   4.7158 9.282009 6.052769 
1 1 1   22    8   18 o   31.300   2.2223  117.480   16.318  134.000   23.057  100.900   23.099   33.247   2.9680   28.664   3.4843 4.583488 4.577104 
1 1 1   22    8   19 o   49.699   2.9325  298.562   34.262  344.700   48.527  252.700   48.382   52.950   3.9087   44.933   4.6260 8.017040 6.056248 
1 1 1   22    8   20 f   34.555   2.3174  143.566   18.800  154.300   26.628  132.900   26.545   35.543   3.2072   32.871   3.4725 2.672211 4.726974 
1 1 1   22    8   21 f   41.824   2.5000  210.805   24.577  261.800   34.842  160.300   34.674   46.335   3.2041   35.785   4.1822 10.54958 5.268522 
1 1 1   22    8   22 o   35.194   2.3521  149.279   19.435  165.200   27.503  133.400   27.468   36.722   3.2038   32.811   3.6046 3.911217 4.822642 
1 1 1   22    8   23 o   7.4786   1.6779   6.9236   2.8902   12.400   4.1571   1.8000   4.0210   10.045   1.8197   5.3444   2.1262 4.700146 2.798593 
1 1 1   22    8   24 o   29.633   2.0173  105.570   14.032  124.000   19.971   87.600   19.720   31.919   2.6743   26.609   3.2028 5.309801 4.172490 
1 1 1   22    8   25 o   21.882   1.8520   57.606   9.4799   70.300   13.430   45.000   13.383   24.048   2.3969   18.987   3.0913 5.061020 3.911721 
1 1 1   22    8   26 o   8.1475   1.6484   8.1949   3.0625   13.100   4.4035   3.6000   4.2620   10.313   1.8775   6.1108   2.2475 4.201921 2.928482 
1 1 1   22    8   27 o   48.800   3.0316  291.908   34.761  353.500   49.157  230.300   49.163   53.056   3.9520   41.969   5.0630 11.08675 6.422756 
1 1 1   22    8   28 o   40.041   2.3612  194.117   22.226  233.300   31.589  155.700   31.279   43.534   3.0930   35.131   3.8327 8.402565 4.925047 
1 1 1   22    8   29 o   36.736   2.0792  162.767   17.963  214.200   25.576  112.700   25.234   41.921   2.5964   29.873   3.6533 12.04770 4.481991 
1 1 1   22    8   30 o   18.753   1.7239   42.452   7.5484   47.200   10.730   37.800   10.621   19.603   2.3657   17.420   2.6671 2.183935 3.565077 
1 1 1   22    8   31 o   19.578   1.7697   46.356   8.0929   48.400   11.574   44.400   11.320   19.770   2.5378   18.900   2.6057 0.8701191 3.637370 
1 1 1   22    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    8   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9    0 o   52.937   4.5894  342.100   56.377  342.100   56.377  342.100   56.377   52.937   4.5894   52.937   4.5894 0.000000 0.000000 
1 1 1   22    9    1 f   65.858   3.7883  522.100   58.666  521.000   82.964  523.200   82.968   65.132   5.4441   65.276   5.4319 -0.1440506 7.690543 
1 1 1   22    9    2 o   41.508   2.6054  205.788   25.407  212.700   35.962  198.900   35.899   41.969   3.6654   40.542   3.7940 1.427174 5.275398 
1 1 1   22    9    3 o   54.960   3.2930  362.358   42.540  307.500   60.192  417.100   60.129   50.024   5.1702   58.639   4.3739 -8.614632 6.772197 
1 1 1   22    9    4 o  104.715   5.8357  1349.92  143.727  1267.50  203.160  1432.50  203.362   98.949   8.7863  105.814   8.2030 -6.864998 12.02033 
1 1 1   22    9    5 o  109.483   6.1613  1482.99  158.641  1440.10  224.324  1525.90  224.379  105.082   9.1312  108.507   8.8339 -3.425011 12.70494 
1 1 1   22    9    6 o   33.378   2.2716  132.952   17.798  137.600   25.164  128.300   25.175   33.787   3.1919   32.588   3.3179 1.199505 4.603929 
1 1 1   22    9    7 f   70.061   3.9961  592.635   65.837  636.800   93.124  548.500   93.092   71.924   5.5254   66.482   5.9944 5.442032 8.152429 
1 1 1   22    9    8 o   56.489   3.1937  382.726   42.427  440.900   60.092  324.900   59.912   60.294   4.2478   51.444   4.9949 8.850510 6.556894 
1 1 1   22    9    9 o   86.952   4.9096  923.096  100.395  914.900  141.945  931.300  142.014   85.036   7.1349   85.852   7.0680 -0.8159256 10.04304 
1 1 1   22    9   10 o   84.042   4.7455  861.632   93.791  931.500  132.657  791.800  132.623   86.149   6.5706   78.931   7.1946 7.217712 9.743435 
1 1 1   22    9   11 o   53.457   3.1775  343.340   39.930  356.100   56.491  330.600   56.448   53.996   4.4707   51.944   4.6513 2.052792 6.451539 
1 1 1   22    9   12 o  131.423   7.5229  2213.08  232.493  2348.40  328.946  2078.00  328.644  130.154   10.801  120.980   11.648 9.173744 15.88489 
1 1 1   22    9   13 o   11.665   1.6511   16.450   4.4211   17.900   6.2524   15.000   6.2524   12.071   2.2769   11.007   2.4667 1.064680 3.356949 
1 1 1   22    9   14 o   44.708   2.7796  239.859   29.199  231.100   41.314  248.600   41.272   43.481   4.0712   45.169   3.9080 -1.687927 5.643328 
1 1 1   22    9   15 o   55.349   3.2498  369.705   42.288  405.000   59.843  334.500   59.766   57.410   4.4491   51.909   4.9352 5.501244 6.644598 
1 1 1   22    9   16 o   28.798   2.1060   99.261   14.222  115.700   20.106   82.800   20.119   30.956   2.7802   26.002   3.3549 4.954268 4.357180 
1 1 1   22    9   17 o   25.695   2.0004   79.070   12.042   85.100   17.002   73.000   17.058   26.501   2.7573   24.460   3.0173 2.041454 4.087399 
1 1 1   22    9   18 o   26.565   1.9954   84.527   12.425   96.900   17.588   72.200   17.555   28.303   2.6629   24.273   3.1361 4.030039 4.114177 
1 1 1   22    9   19 o   22.931   1.8708   63.031   10.042   69.500   14.222   56.600   14.180   23.938   2.5555   21.498   2.8646 2.439985 3.838774 
1 1 1   22    9   20 o   74.586   4.3626  692.353   76.502  782.600  108.189  602.100  108.193   77.649   5.9456   66.990   6.9402 10.65888 9.138748 
1 1 1   22    9   21 o   37.854   2.4090  172.644   21.421  199.800   30.353  145.700   30.235   40.433   3.2054   34.245   3.8032 6.187405 4.973831 
1 1 1   22    9   22 o   19.618   1.8081   46.270   8.2814   53.600   11.696   38.900   11.728   20.993   2.4026   17.711   2.9051 3.281912 3.769869 
1 1 1   22    9   23 o   35.239   2.2398  149.578   18.541  179.500   26.319  120.100   26.123   38.356   2.9279   31.050   3.6314 7.306244 4.664742 
1 1 1   22    9   24 o   47.829   2.9116  278.855   32.727  341.900   46.318  216.000   46.248   52.440   3.7655   40.919   4.8829 11.52132 6.166166 
1 1 1   22    9   25 o   22.620   1.9025   61.600   10.068   74.700   14.238   48.500   14.238   24.773   2.4667   19.699   3.1681 5.073626 4.015125 
1 1 1   22    9   26 o   28.926   2.1184  100.944   14.369  117.900   20.325   84.000   20.318   31.036   2.8037   25.931   3.4001 5.104414 4.406924 
1 1 1   22    9   27 o   18.377   1.7877   40.726   7.6595   50.400   10.818   31.000   10.847   20.336   2.2927   15.685   3.0383 4.651144 3.806272 
1 1 1   22    9   28 o   18.719   1.6076   42.096   7.0370   53.300   10.118   31.600   9.7934   20.971   2.0702   15.928   2.7003 5.043674 3.402594 
1 1 1   22    9   29 o   16.399   1.6164   32.415   6.1780   39.300   8.8602   25.900   8.6188   17.947   2.1324   14.386   2.6342 3.561312 3.389096 
1 1 1   22    9   30 f   27.159   1.8715   88.986   11.929  109.700   17.023   69.000   16.722   29.961   2.4270   23.456   3.0946 6.505314 3.932822 
1 1 1   22    9   31 o   9.2139   1.5945   10.441   3.3436   13.800   5.2858   8.2000   4.3171   10.488   2.2043   8.0944   2.2007 2.393424 3.114860 
1 1 1   22    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22    9   45 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10    0 o   51.608   4.5007  325.200   53.889  325.200   53.889  325.200   53.889   51.608   4.5007   51.608   4.5007 0.000000 0.000000 
1 1 1   22   10    1 o   65.769   3.7964  521.012   58.709  489.000   83.043  553.000   83.011   62.960   5.6457   67.158   5.2770 -4.197605 7.727894 
1 1 1   22   10    2 o   20.572   1.8005   50.540   8.6586   42.700   12.237   58.400   12.253   18.719   2.8593   22.039   2.3928 -3.320026 3.728419 
1 1 1   22   10    3 o   91.348   4.7480  1014.11  102.063  1166.00  144.792  864.100  143.891   96.892   6.3637   82.592   7.4584 14.30034 9.804336 
1 1 1   22   10    4 o   52.412   3.1267  329.250   38.521  330.100   54.472  328.400   54.481   52.077   4.4730   51.938   4.4863 0.1396217 6.335171 
1 1 1   22   10    5 f   78.082   4.4136  738.987   81.045  772.200  114.637  705.800  114.594   78.842   6.2077   75.166   6.5208 3.676208 9.003125 
1 1 1   22   10    6 o   64.512   3.7142  501.273   56.342  508.900   79.818  493.700   79.540   64.354   5.2996   63.348   5.3678 1.005775 7.543092 
1 1 1   22   10    7 o   57.371   3.3507  395.377   45.195  408.000   63.973  382.800   63.858   57.801   4.7284   55.914   4.8856 1.887558 6.799043 
1 1 1   22   10    8 o   21.769   1.8470   56.600   9.4048   60.300   13.300   52.900   13.300   22.361   2.5653   20.887   2.7646 1.473776 3.771436 
1 1 1   22   10    9 o   20.492   1.7899   50.166   8.5742   54.600   12.172   45.800   12.080   21.278   2.4684   19.418   2.7081 1.859858 3.664316 
1 1 1   22   10   10 o   58.359   3.3947  409.917   46.580  438.100   65.913  381.800   65.835   59.827   4.7036   55.671   5.0634 4.156380 6.910957 
1 1 1   22   10   11 o   92.292   5.1715  1047.52  112.252  1112.80  158.843  982.400  158.653   93.360   7.2623   87.209   7.7860 6.151260 10.64719 
1 1 1   22   10   12 f   14.558   1.6417   25.440   5.5450   28.300   7.9270   22.700   7.7594   15.261   2.2688   13.591   2.5101 1.669240 3.383507 
1 1 1   22   10   13 o   22.242   1.8570   59.137   9.6644   60.700   13.726   57.600   13.610   22.398   2.6464   21.800   2.7018 0.5984898 3.781898 
1 1 1   22   10   14 o   61.625   3.5366  459.534   51.249  507.400   72.527  411.800   72.426   64.110   4.8263   57.401   5.4071 6.708858 7.247710 
1 1 1   22   10   15 o   17.326   1.7044   35.972   6.8827   39.100   9.7784   32.900   9.6895   17.955   2.3638   16.399   2.5881 1.556192 3.505111 
1 1 1   22   10   16 o   24.122   1.9067   69.626   10.772   77.100   15.259   62.200   15.210   25.256   2.5955   22.581   2.9209 2.674316 3.907524 
1 1 1   22   10   17 o   43.719   2.6981  230.096   27.718  269.800   39.226  190.500   39.172   47.032   3.5582   39.175   4.3056 7.857651 5.585654 
1 1 1   22   10   18 o   32.093   2.3501  123.845   17.686  143.000   24.887  104.300   25.139   34.277   3.1085   29.020   3.7567 5.256912 4.875995 
1 1 1   22   10   19 o   27.126   2.0213   88.270   12.854   97.700   18.207   78.900   18.150   28.363   2.7532   25.364   3.0946 2.999060 4.142112 
1 1 1   22   10   20 o   12.062   1.6904   17.642   4.6824   18.100   6.6850   17.200   6.5605   12.077   2.4284   11.764   2.4416 0.3127365 3.443645 
1 1 1   22   10   21 o   16.900   1.6565   34.311   6.5257   44.400   9.2937   24.500   9.1650   19.161   2.0879   13.994   2.8697 5.166080 3.548889 
1 1 1   22   10   22 o   6.3854   1.7508   5.0134   2.7187   2.1000   4.0515   7.4000   3.6669   5.4658   2.1470   7.7244   1.9960 -2.258616 2.931489 
1 1 1   22   10   23 o   45.934   2.8576  256.788   30.841  282.500   43.627  231.100   43.606   47.577   3.9181   42.713   4.3856 4.863205 5.880895 
1 1 1   22   10   24 o   11.912   1.6377   17.216   4.4849   18.900   6.5153   15.700   6.1830   12.346   2.3200   11.214   2.4070 1.132586 3.343038 
1 1 1   22   10   25 o   64.025   5.7720  544.300   86.326  544.300   86.326   0.0000   0.0000   64.025   5.7720  ?   ?  0.000000 5.772008 
1 1 1   22   10   26 o   11.870   1.7390   17.165   4.7295   22.500   6.6188   11.600   6.7606   13.532   2.1427   9.6636   2.8004 3.868865 3.526104 
1 1 1   22   10   27 o   50.928   3.0910  318.699   36.997  379.900   52.364  257.700   52.278   54.850   4.0720   44.327   5.0866 10.52292 6.515706 
1 1 1   22   10   28 o   7.9177   1.7122   7.7736   3.1081   6.4000   4.5254   9.0000   4.2762   7.3333   2.3270   8.4887   2.1353 -1.155406 3.158238 
1 1 1   22   10   29 f   33.438   2.2042  135.481   17.307  159.700   24.536  111.500   24.415   35.983   2.9126   29.714   3.5499 6.269236 4.591890 
1 1 1   22   10   30 f   24.317   1.8033   71.324   10.281   88.300   14.661   54.900   14.420   26.890   2.3320   20.910   3.0070 5.979248 3.805284 
1 1 1   22   10   31 o   9.8233   2.3605   12.200   5.4075   0.0000   0.0000   12.200   5.4075  ?   ?    9.8233   2.3605 0.000000 2.360528 
1 1 1   22   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   10   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11    0 o   6.2657   2.6669   6.6000   4.0119   6.6000   4.0119   6.6000   4.0119   6.2657   2.6669   6.2657   2.6669 0.000000 0.000000 
1 1 1   22   11    1 o   46.819   2.8584  262.297   31.450  260.100   44.444  264.500   44.510   46.296   4.1081   46.698   4.0772 -0.4021721 5.787937 
1 1 1   22   11    2 o   61.156   3.5623  449.809   51.220  468.700   72.420  430.900   72.453   61.894   4.9976   59.230   5.2341 2.664227 7.236897 
1 1 1   22   11    3 o   42.938   2.7186  220.491   27.422  202.800   38.825  238.100   38.735   40.842   4.0804   44.383   3.7305 -3.541771 5.528693 
1 1 1   22   11    4 o   61.743   3.5766  458.641   51.923  470.000   73.459  447.300   73.401   61.934   5.0672   60.352   5.2013 1.581963 7.261547 
1 1 1   22   11    5 f   24.464   1.9119   71.411   10.957   79.500   15.534   63.400   15.458   25.714   2.5937   22.870   2.9297 2.843786 3.912852 
1 1 1   22   11    6 o   35.360   2.2840  149.214   18.969  167.100   26.891  131.500   26.761   37.271   3.0831   32.940   3.4938 4.330719 4.659609 
1 1 1   22   11    7 o   61.829   3.5925  460.499   52.225  462.300   73.877  458.700   73.839   61.318   5.1499   61.069   5.1689 0.2492409 7.296506 
1 1 1   22   11    8 o   36.074   2.4029  155.520   20.351  145.200   28.809  165.800   28.753   34.593   3.5785   37.054   3.3214 -2.461277 4.882371 
1 1 1   22   11    9 o   25.754   1.9626   79.181   11.846   84.000   16.785   74.400   16.720   26.398   2.7322   24.792   2.9114 1.606571 3.992638 
1 1 1   22   11   10 o   42.221   2.6144  213.348   25.937  236.400   36.722  190.400   36.639   44.210   3.5475   39.520   3.9803 4.689995 5.331744 
1 1 1   22   11   11 o   67.761   3.8259  555.652   60.968  596.900   86.324  514.600   86.119   69.476   5.3018   64.234   5.7380 5.241570 7.812448 
1 1 1   22   11   12 o   70.401   3.9339  601.342   65.137  684.900   92.205  518.100   92.030   74.362   5.2854   64.093   6.1565 10.26918 8.114045 
1 1 1   22   11   13 o   28.891   2.0980   99.802   14.215  107.400   20.100   92.200   20.106   29.813   2.8915   27.542   3.1481 2.271627 4.274439 
1 1 1   22   11   14 o   31.369   2.1559  117.708   15.872  134.200   22.476  101.300   22.418   33.342   2.8831   28.812   3.3580 4.529638 4.425853 
1 1 1   22   11   15 o   21.720   1.8096   56.441   9.1967   63.900   13.058   49.100   12.954   23.004   2.4412   20.051   2.8135 2.953779 3.724941 
1 1 1   22   11   16 o   46.191   2.7419  256.808   29.773  295.000   42.184  218.900   42.027   49.163   3.6599   42.046   4.2931 7.116634 5.641425 
1 1 1   22   11   17 o   80.114   4.5578  796.292   85.868  882.400  121.512  710.400  121.360   82.601   6.2767   73.188   7.1120 9.413124 9.485627 
1 1 1   22   11   18 o   40.465   2.5970  197.398   24.684  196.500   34.868  198.300   34.950   39.937   3.7409   40.125   3.7314 -0.1883507 5.283710 
1 1 1   22   11   19 o   28.576   2.0257   97.945   13.580  120.200   19.251   75.900   19.160   31.518   2.6101   24.777   3.3616 6.741228 4.255922 
1 1 1   22   11   20 o   8.2712   1.7419   8.4497   3.2948   6.1000   4.7663   10.600   4.5596   7.2806   2.3947   9.2346   2.1338 -1.953989 3.207494 
1 1 1   22   11   21 o   52.198   3.0097  331.581   36.940  416.700   52.308  246.900   52.174   58.006   3.8406   43.768   5.1464 14.23816 6.421486 
1 1 1   22   11   22 o   67.061   3.9976  560.031   63.017  589.200   89.072  530.800   89.167   67.070   5.6773   63.233   6.0453 3.837086 8.293250 
1 1 1   22   11   23 o   24.984   1.9579   75.092   11.458   81.100   16.215   69.100   16.194   25.761   2.7060   23.676   2.9613 2.084366 4.011455 
1 1 1   22   11   24 o   65.421   3.9969  535.178   61.449  609.400   86.799  460.600   87.006   68.259   5.4299   58.178   6.4413 10.08088 8.424669 
1 1 1   22   11   25 o   42.757   2.7481  222.632   27.599  253.700   39.011  191.500   39.051   45.115   3.6942   38.771   4.3398 6.344357 5.699235 
1 1 1   22   11   26 o   50.244   4.5868  323.600   53.819  323.600   53.819   0.0000   0.0000   50.244   4.5868  ?   ?  0.000000 4.586756 
1 1 1   22   11   27 o   16.248   1.7050   31.861   6.4442   40.000   9.1645   23.900   9.0632   18.113   2.1870   13.765   2.8808 4.347872 3.616891 
1 1 1   22   11   28 o   16.387   1.7022   32.428   6.4907   34.700   9.2236   30.200   9.1357   16.783   2.3953   15.586   2.5719 1.196535 3.514565 
1 1 1   22   11   29 o   28.791   1.8906   99.945   12.782  135.100   18.183   65.600   17.972   33.325   2.3252   22.718   3.4594 10.60646 4.168234 
1 1 1   22   11   30 o   9.3099   1.6951   10.697   3.5892   9.1000   5.1548   12.200   5.0005   8.5369   2.4368   9.8548   2.2041 -1.317922 3.285708 
1 1 1   22   11   31 o   9.3678   2.3798   11.100   5.2747   0.0000   0.0000   11.100   5.2747  ?   ?    9.3678   2.3798 0.000000 2.379801 
1 1 1   22   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   11   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12    0 o   73.417   6.0880  663.700  103.874  663.700  103.874  663.700  103.874   73.417   6.0880   73.417   6.0880 0.000000 0.000000 
1 1 1   22   12    1 o   49.745   2.9742  296.422   34.777  263.200   49.162  329.700   49.203   46.414   4.5438   52.171   4.0250 -5.757294 6.070138 
1 1 1   22   12    2 o   51.961   3.1033  323.747   37.903  305.600   53.598  341.900   53.607   50.023   4.5886   53.030   4.3185 -3.006577 6.301157 
1 1 1   22   12    3 o   63.344   3.6710  483.400   54.674  458.900   77.321  507.900   77.321   60.997   5.4248   64.333   5.1326 -3.335892 7.468054 
1 1 1   22   12    4 o   58.207   3.4065  407.343   46.617  397.100   65.904  417.600   65.949   56.903   4.9542   58.419   4.8238 -1.515465 6.914695 
1 1 1   22   12    5 o   31.789   2.2265  120.671   16.608  113.900   23.524  127.400   23.451   30.671   3.3000   32.503   3.0928 -1.832142 4.522720 
1 1 1   22   12    6 o   63.579   3.6852  487.552   55.091  481.000   77.924  494.100   77.895   62.436   5.3366   63.326   5.2566 -0.8900642 7.490777 
1 1 1   22   12    7 f   30.571   2.1210  111.555   15.217  126.200   21.553   97.000   21.487   32.392   2.8467   28.272   3.2794 4.119617 4.342587 
1 1 1   22   12    8 o   26.261   1.9950   82.347   12.279   83.500   17.384   81.200   17.346   26.295   2.8451   25.918   2.8830 0.3765202 4.050429 
1 1 1   22   12    9 o   20.826   1.8108   51.836   8.8165   59.000   12.480   44.700   12.456   22.130   2.4282   19.145   2.8416 2.985275 3.737766 
1 1 1   22   12   10 f   29.595   2.0631  104.574   14.328  131.700   20.291   77.600   20.234   33.128   2.6152   25.178   3.4978 7.949371 4.367329 
1 1 1   22   12   11 o   41.024   2.6052  201.652   25.107  198.700   35.521  204.600   35.492   40.403   3.7665   41.023   3.7038 -0.6200714 5.282480 
1 1 1   22   12   12 o   90.482   4.8856  1008.76  103.999  1182.40  147.266  836.000  146.888   96.461   6.5032   79.712   7.9081 16.74966 10.23864 
1 1 1   22   12   13 o   44.750   2.6078  240.148   27.438  289.900   38.882  190.800   38.724   48.933   3.3858   39.358   4.2332 9.575516 5.420676 
1 1 1   22   12   14 o   37.075   2.3920  164.761   20.830  183.900   29.487  145.700   29.428   38.945   3.2358   34.500   3.6685 4.444374 4.891634 
1 1 1   22   12   15 o   43.292   2.6301  225.289   26.760  263.500   37.899  187.300   37.789   46.535   3.4740   38.923   4.1767 7.611366 5.432599 
1 1 1   22   12   16 o   32.696   2.1902  128.133   16.812  156.400   23.804  100.000   23.748   35.969   2.8254   28.480   3.6123 7.488249 4.586008 
1 1 1   22   12   17 o   21.201   1.8308   53.896   9.0755   55.700   12.850   52.100   12.820   21.394   2.5968   20.658   2.6919 0.7357235 3.740272 
1 1 1   22   12   18 o   25.220   1.9241   76.256   11.372   87.300   16.115   65.300   16.051   26.843   2.5739   23.061   3.0201 3.781618 3.968094 
1 1 1   22   12   19 o   48.007   2.9301  279.560   33.058  314.800   46.777  244.400   46.724   50.412   3.9614   44.049   4.5579 6.363602 6.038829 
1 1 1   22   12   20 o   30.039   2.1836  108.587   15.383  129.400   21.736   87.700   21.775   32.600   2.8523   26.551   3.5629 6.048918 4.564020 
1 1 1   22   12   21 f   33.837   2.1650  137.705   17.208  174.700   24.434  101.300   24.238   37.927   2.7468   28.483   3.6905 9.444500 4.600530 
1 1 1   22   12   22 o   16.437   1.7159   32.549   6.5617   33.900   9.2845   31.200   9.2746   16.616   2.4390   15.897   2.5574 0.7183743 3.533934 
1 1 1   22   12   23 o   39.655   2.5282  190.441   23.551  217.100   33.342  163.900   33.269   41.940   3.3959   36.118   3.9661 5.822308 5.221297 
1 1 1   22   12   24 o   12.071   1.6851   17.701   4.6723   13.900   6.4867   21.800   6.7355   10.521   2.6208   13.303   2.2227 -2.782062 3.436390 
1 1 1   22   12   25 o   21.235   1.8837   54.340   9.3475   71.100   13.204   37.500   13.235   24.191   2.3407   17.196   3.3798 6.995081 4.111170 
1 1 1   22   12   26 o   26.259   2.1065   83.307   12.951  105.900   18.253   60.400   18.379   29.442   2.6541   21.792   3.7042 7.649673 4.556919 
1 1 1   22   12   27 o   14.878   1.7483   26.803   6.0250   29.500   8.4392   24.000   8.6046   15.462   2.3883   13.827   2.7322 1.635300 3.628898 
1 1 1   22   12   28 o   26.237   1.8980   82.988   11.679  105.500   16.596   60.900   16.439   29.423   2.4099   21.991   3.2648 7.432056 4.057909 
1 1 1   22   12   29 o   6.8632   1.5957   5.8531   2.5371   9.2000   3.7400   3.0000   3.4531   8.5893   1.8948   5.5322   2.0248 3.057015 2.773099 
1 1 1   22   12   30 f   16.564   2.5282   34.200   9.5750   0.0000   0.0000   34.200   9.5750  ?   ?    16.564   2.5282 0.000000 2.528159 
1 1 1   22   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   12   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13    0 o   52.183   4.5437  333.000   55.013  333.000   55.013  333.000   55.013   52.183   4.5437   52.183   4.5437 0.000000 0.000000 
1 1 1   22   13    1 o   39.538   2.4956  186.812   23.180  209.600   32.809  164.100   32.755   41.694   3.3610   36.738   3.8321 4.955700 5.097141 
1 1 1   22   13    2 o   81.324   4.5544  804.731   87.109  721.300  123.139  888.300  123.241   75.484   6.9877   84.389   6.2285 -8.905754 9.360715 
1 1 1   22   13    3 o   53.291   3.0971  340.737   38.806  379.800   54.959  301.900   54.800   55.912   4.1932   49.618   4.7345 6.294029 6.324432 
1 1 1   22   13    4 o   55.395   3.2315  368.659   42.086  401.900   59.556  335.500   59.482   57.423   4.4262   52.260   4.8764 5.163651 6.585678 
1 1 1   22   13    5 o   17.206   1.7071   35.436   6.8445   33.500   9.6457   37.400   9.7139   16.584   2.5444   17.569   2.4046 -0.9847565 3.500877 
1 1 1   22   13    6 o   36.599   2.3855  160.080   20.504  178.900   29.012  141.300   28.982   38.517   3.2193   34.090   3.6574 4.426838 4.872454 
1 1 1   22   13    7 o   65.910   3.8035  525.244   58.945  512.600   83.342  537.900   83.380   64.272   5.5457   65.928   5.4033 -1.656609 7.742742 
1 1 1   22   13    8 o   71.755   4.0736  624.647   68.738  662.400   97.278  587.000   97.142   72.988   5.6891   68.445   6.0734 4.542870 8.321831 
1 1 1   22   13    9 o   77.959   4.4303  741.432   81.221  712.200  114.829  770.700  114.898   74.996   6.5498   78.250   6.2709 -3.253578 9.067783 
1 1 1   22   13   10 o   11.809   1.6014   16.834   4.3505   20.100   6.2172   13.700   6.0899   12.834   2.1259   10.511   2.4916 2.323010 3.275301 
1 1 1   22   13   11 o   59.163   3.3403  422.528   46.475  486.100   65.815  359.300   65.637   62.948   4.4565   53.680   5.2452 9.267918 6.882757 
1 1 1   22   13   12 o   37.599   2.4055  169.340   21.245  195.000   30.081  143.800   30.010   40.145   3.1998   34.266   3.7713 5.879372 4.945830 
1 1 1   22   13   13 o   44.239   2.7569  235.351   28.657  232.200   40.534  238.500   40.520   43.512   3.9894   44.127   3.9298 -0.6148148 5.599861 
1 1 1   22   13   14 o   32.800   2.2158  128.895   17.061  150.600   24.159  107.300   24.098   35.286   2.9259   29.574   3.5198 5.711689 4.577139 
1 1 1   22   13   15 o   21.508   1.7224   55.322   8.6743   69.800   12.366   41.300   12.170   24.088   2.1983   18.318   2.9110 5.770174 3.647835 
1 1 1   22   13   16 o   52.456   3.0403  333.187   37.498  384.300   53.115  282.400   52.946   55.819   4.0574   47.402   4.7961 8.417213 6.282135 
1 1 1   22   13   17 o   41.191   2.3991  203.964   23.235  253.800   32.954  154.700   32.764   45.714   3.0706   35.276   4.0042 10.43818 5.046014 
1 1 1   22   13   18 o   31.254   2.1762  117.358   15.961  131.300   22.606  103.500   22.539   32.840   2.9465   28.993   3.3540 3.847176 4.464440 
1 1 1   22   13   19 o   42.686   2.6000  220.100   26.083  269.000   36.963  171.600   36.811   46.863   3.3625   36.940   4.3005 9.922859 5.459040 
1 1 1   22   13   20 o   65.778   3.5528  532.166   54.978  640.700   77.926  424.600   77.578   71.185   4.6616   56.809   5.8675 14.37601 7.493895 
1 1 1   22   13   21 o   23.611   1.8610   66.956   10.292   78.500   14.615   55.600   14.495   25.424   2.4654   21.211   2.9759 4.213476 3.864512 
1 1 1   22   13   22 o   16.446   1.7058   32.581   6.5280   37.500   9.2983   27.800   9.1669   17.524   2.3028   14.949   2.6960 2.574615 3.545574 
1 1 1   22   13   23 o   25.176   1.9458   76.251   11.478   84.300   16.282   68.300   16.182   26.276   2.6609   23.523   2.9802 2.752798 3.995215 
1 1 1   22   13   24 o   13.404   1.8184   21.843   5.6068   31.600   7.8345   11.600   8.0275   16.100   2.1117   9.7891   3.0986 6.310420 3.749745 
1 1 1   22   13   25 o   28.485   2.1560   97.986   14.395  111.200   20.292   84.600   20.423   30.098   2.8906   26.020   3.4057 4.078524 4.467044 
1 1 1   22   13   26 o   6.8398   1.7638   5.8000   2.8673  -1.1000   4.0549   12.700   4.0549   4.4767   1.9722   10.172   1.7514 -5.694989 2.637618 
1 1 1   22   13   27 o   11.090   1.8366   15.101   4.6413   25.300   6.4716   4.3000   6.6599   14.398   1.9540   7.1875   2.7724 7.210263 3.391800 
1 1 1   22   13   28 o   22.154   1.6660   59.020   8.6515   86.300   12.358   32.800   12.116   26.724   1.9723   15.996   3.3164 10.72773 3.858592 
1 1 1   22   13   29 o   19.632   1.5778   46.373   7.2526   68.200   10.361   25.400   10.156   23.754   1.8619   14.063   3.1379 9.691426 3.648754 
1 1 1   22   13   30 o   22.351   2.7591   62.300   14.253   0.0000   0.0000   62.300   14.253  ?   ?    22.351   2.7591 0.000000 2.759102 
1 1 1   22   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   13   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14    0 o   61.134   5.1882  458.700   73.655  458.700   73.655  458.700   73.655   61.134   5.1882   61.134   5.1882 0.000000 0.000000 
1 1 1   22   14    1 o   53.191   3.1430  339.771   39.301  357.800   55.625  321.800   55.536   54.166   4.3866   51.254   4.6389 2.911552 6.384472 
1 1 1   22   14    2 o   24.485   1.9238   71.584   11.033   75.200   15.639   68.000   15.569   24.970   2.6950   23.702   2.8381 1.267855 3.913792 
1 1 1   22   14    3 o   14.654   1.6667   25.778   5.6647   22.600   7.9833   29.000   8.0393   13.551   2.5894   15.455   2.2705 -1.904685 3.443827 
1 1 1   22   14    4 o   76.710   4.3336  715.501   78.177  671.000  110.498  760.100  110.620   72.992   6.4782   78.020   6.0517 -5.028175 8.865102 
1 1 1   22   14    5 o   45.395   2.7564  246.855   29.408  268.000   41.633  225.800   41.545   47.016   3.7819   43.017   4.1410 3.999233 5.608121 
1 1 1   22   14    6 o   41.084   2.5883  202.029   24.982  230.200   35.342  173.900   35.316   43.642   3.4578   37.730   4.0261 5.911835 5.307116 
1 1 1   22   14    7 o   38.496   2.4532  177.273   22.184  193.800   31.446  160.900   31.301   40.038   3.3571   36.362   3.6968 3.675377 4.993645 
1 1 1   22   14    8 o   66.912   3.8589  542.839   60.713  556.400   85.895  529.300   85.829   66.866   5.4885   65.116   5.6375 1.749405 7.867936 
1 1 1   22   14    9 o   41.882   2.5884  210.210   25.473  243.300   36.074  177.300   35.976   44.829   3.4339   38.028   4.0695 6.801334 5.324702 
1 1 1   22   14   10 o   42.602   2.6632  217.778   26.657  223.900   37.767  211.700   37.629   42.860   3.7700   41.632   3.8721 1.228313 5.404307 
1 1 1   22   14   11 o   40.181   2.4220  193.370   22.873  236.000   32.417  151.100   32.279   44.205   3.1257   35.061   3.9687 9.143593 5.051754 
1 1 1   22   14   12 o   4.8615   1.5294   2.7657   1.9583   6.4000   2.7828  -0.8000   2.7563   7.2000   1.6693   3.6934   1.6266 3.506566 2.330733 
1 1 1   22   14   13 o   11.670   1.6538   16.489   4.4300   17.800   6.2928   15.200   6.2375   12.017   2.3015   11.065   2.4518 0.9517155 3.362774 
1 1 1   22   14   14 o   44.824   2.7854  242.197   29.336  247.500   41.499  236.900   41.476   44.852   3.9589   43.833   4.0530 1.019768 5.665694 
1 1 1   22   14   15 o   4.1782   1.4780   1.7958   1.8217   1.0000   2.6588   2.5000   2.5010   4.2805   1.7201   4.9092   1.7323 -0.6287389 2.441239 
1 1 1   22   14   16 o   28.612   2.1036   98.256   14.113   97.100   20.012   99.400   19.906   28.190   3.0552   28.543   2.9982 -0.3531208 4.280551 
1 1 1   22   14   17 o   52.943   3.0298  340.093   37.721  405.300   53.430  275.300   53.261   57.270   3.9755   46.598   4.9145 10.67292 6.321190 
1 1 1   22   14   18 o   18.285   1.7276   40.157   7.3712   46.400   10.461   34.000   10.388   19.546   2.3112   16.586   2.7486 2.960072 3.591101 
1 1 1   22   14   19 o   35.835   2.2929  154.632   19.301  182.400   27.354  127.100   27.237   38.665   3.0199   31.977   3.6738 6.687344 4.755723 
1 1 1   22   14   20 o   10.320   1.7181   13.024   4.0398   11.700   5.5638   14.500   5.8752   9.6780   2.4363   10.782   2.3720 -1.104334 3.400248 
1 1 1   22   14   21 o   26.484   1.8982   84.216   11.793  103.500   16.758   65.300   16.598   29.222   2.4512   22.953   3.1449 6.268585 3.987387 
1 1 1   22   14   22 f   6.0758   1.7117   4.5202   2.5607   3.8000   3.6749   5.2000   3.5702   5.9843   2.1009   6.6108   2.0627 -0.6265430 2.944230 
1 1 1   22   14   23 o   17.305   1.9184   36.236   7.7071   54.700   10.790   17.000   11.013   21.240   2.1823   11.704   3.6180 9.535506 4.225202 
1 1 1   22   14   24 o   12.296   1.7385   18.392   4.9072   22.100   6.8572   14.500   7.0254   13.386   2.2490   10.733   2.7572 2.652976 3.558176 
1 1 1   22   14   25 o   21.303   1.8547   54.679   9.2368   63.900   13.078   45.500   13.048   22.878   2.4594   19.102   2.9908 3.776606 3.872174 
1 1 1   22   14   26 o   17.514   1.8919   37.145   7.6997   48.200   10.750   25.500   11.033   19.860   2.3370   14.111   3.3596 5.749059 4.092479 
1 1 1   22   14   27 o   45.259   2.7894  251.061   29.666  336.100   41.989  166.300   41.920   51.904   3.4454   35.234   5.1942 16.66999 6.232998 
1 1 1   22   14   28 o   23.335   1.8204   65.703   9.9517   87.300   14.156   44.600   13.993   26.773   2.2603   18.717   3.2859 8.056553 3.988232 
1 1 1   22   14   29 o   36.018   3.5779  165.000   30.028   0.0000   0.0000  165.000   30.028  ?   ?    36.018   3.5779 0.000000 3.577943 
1 1 1   22   14   30 o   19.859   2.7044   49.300   12.352   0.0000   0.0000   49.300   12.352  ?   ?    19.859   2.7044 0.000000 2.704377 
1 1 1   22   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   14   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15    0 o   14.114   2.7330   26.100   8.1261   26.100   8.1261   26.100   8.1261   14.114   2.7330   14.114   2.7330 0.000000 0.000000 
1 1 1   22   15    1 o   30.340   2.0927  109.886   14.901  124.300   21.120   95.600   21.026   32.143   2.8108   28.065   3.2317 4.077871 4.283063 
1 1 1   22   15    2 o   26.888   2.0251   86.351   12.763   87.200   18.040   85.500   18.060   26.863   2.8894   26.589   2.9249 0.2736053 4.111375 
1 1 1   22   15    3 o   22.631   1.8733   61.198   9.9212   56.700   14.027   65.700   14.034   21.611   2.8155   23.334   2.5908 -1.722275 3.826154 
1 1 1   22   15    4 o   69.173   3.8777  579.545   63.084  650.100   89.312  509.300   89.116   72.533   5.2500   63.726   5.9925 8.806721 7.966949 
1 1 1   22   15    5 o   16.039   1.7018   30.848   6.3467   30.500   8.9455   31.200   9.0061   15.813   2.4771   16.000   2.4628 -0.1870050 3.493007 
1 1 1   22   15    6 o   43.511   2.7522  227.124   28.132  225.800   40.165  228.400   39.414   43.009   4.0007   43.293   3.8971 -0.2844353 5.585093 
1 1 1   22   15    7 o   31.695   2.1545  120.067   16.029  146.100   22.705   94.200   22.633   34.845   2.7827   27.748   3.5344 7.096724 4.498358 
1 1 1   22   15    8 o   51.260   3.0456  316.303   36.699  293.600   51.847  339.100   51.954   48.804   4.5514   52.629   4.2159 -3.824776 6.203995 
1 1 1   22   15    9 o   51.294   3.0182  316.811   36.397  356.900   51.530  276.900   51.416   54.036   4.0683   47.302   4.6638 6.733704 6.188866 
1 1 1   22   15   10 o   1.6738   0.7880  -0.8911   0.8028  -4.1000   1.2143   1.6000   1.0699   1.4549   0.7350   3.6770   1.1262 -2.222130 1.344861 
1 1 1   22   15   11 o   17.541   1.7317   36.896   7.0792   39.000   10.021   34.800   10.002   17.910   2.4322   16.867   2.5945 1.043880 3.556312 
1 1 1   22   15   12 o   82.473   4.5780  840.951   88.806  959.500  125.722  722.900  125.458   86.530   6.1939   73.970   7.2768 12.56037 9.555933 
1 1 1   22   15   13 o  ?   ?   -2.0672   0.3309  -2.6000   0.4307  -1.3000   0.5169  ?   ?    1.0618   0.5280 0.000000 0.5279993 
1 1 1   22   15   14 o   27.473   2.0488   90.502   13.196   95.300   18.658   85.700   18.665   27.997   2.8625   26.486   3.0394 1.511551 4.175146 
1 1 1   22   15   15 f   35.456   2.3708  151.197   19.735  154.800   27.921  147.600   27.898   35.554   3.3657   34.678   3.4528 0.8761330 4.821814 
1 1 1   22   15   16 o   14.209   1.6474   24.326   5.4252   30.300   7.6880   18.400   7.6570   15.791   2.1149   12.131   2.7380 3.660112 3.459718 
1 1 1   22   15   17 o   15.946   1.7076   30.605   6.3300   35.000   8.9470   26.200   8.9570   16.945   2.2951   14.525   2.7111 2.419768 3.552119 
1 1 1   22   15   18 o   7.5656   1.6558   7.0760   2.8760   9.7000   4.0861   4.5000   4.0486   8.8388   2.0040   6.4164   2.2078 2.422389 2.981650 
1 1 1   22   15   19 o   12.771   1.6530   19.738   4.8681   21.500   6.9092   18.000   6.8601   13.203   2.2996   12.017   2.4991 1.186890 3.396107 
1 1 1   22   15   20 o   26.629   1.9616   85.217   12.248  102.600   17.363   68.000   17.280   29.064   2.5559   23.412   3.2102 5.652550 4.103417 
1 1 1   22   15   21 o   69.661   3.3760  594.886   55.534  785.200   78.833  407.400   78.245   79.108   4.2355   55.175   6.1080 23.93276 7.432853 
1 1 1   22   15   22 o   37.553   2.1472  169.689   18.962  223.300   26.972  117.300   26.663   42.882   2.6770   30.579   3.7726 12.30317 4.625873 
1 1 1   22   15   23 o   23.382   2.0258   65.965   11.075   78.000   15.526   53.500   15.801   25.261   2.6419   20.640   3.3574 4.621109 4.272191 
1 1 1   22   15   24 o   11.081   1.8371   15.057   4.6387   22.600   6.4355   6.9000   6.6923   13.579   2.0728   8.0112   2.8330 5.567435 3.510293 
1 1 1   22   15   25 o   11.928   1.9032   17.440   5.1805   25.700   7.1295   8.2000   7.5405   14.475   2.1512   8.6145   3.0103 5.860953 3.699900 
1 1 1   22   15   26 o   46.575   2.9248  266.356   32.004  263.300   44.945  269.500   45.583   45.363   4.2452   45.890   4.2549 -0.5267410 6.010488 
1 1 1   22   15   27 o   11.869   1.7887   17.242   4.8575   26.100   6.8162   8.1000   6.9242   14.595   2.0330   8.4251   2.8879 6.169902 3.531744 
1 1 1   22   15   28 o   32.916   2.1680  131.524   16.756  152.500   24.399  112.800   23.052   35.043   2.9768   29.924   3.3182 5.118393 4.457774 
1 1 1   22   15   29 o   14.037   2.4794   24.700   7.9179   0.0000   0.0000   24.700   7.9179  ?   ?    14.037   2.4794 0.000000 2.479403 
1 1 1   22   15   30 o   20.466   2.6876   52.400   12.675   0.0000   0.0000   52.400   12.675  ?   ?    20.466   2.6876 0.000000 2.687644 
1 1 1   22   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   15   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16    0 o   57.305   4.9234  403.500   65.490  403.500   65.490  403.500   65.490   57.305   4.9234   57.305   4.9234 0.000000 0.000000 
1 1 1   22   16    1 o   96.863   5.4864  1164.41  124.974  1074.90  176.705  1254.00  176.775   90.192   8.3933   98.297   7.6767 -8.105377 11.37451 
1 1 1   22   16    2 o   48.253   2.9221  279.681   33.138  293.900   46.895  265.500   46.834   49.078   4.0835   46.545   4.3101 2.533516 5.937328 
1 1 1   22   16    3 o   34.699   2.3266  144.049   18.953  140.700   26.801  147.400   26.806   34.045   3.3784   34.877   3.2939 -0.8316650 4.718401 
1 1 1   22   16    4 o   37.358   2.4268  167.088   21.292  156.500   30.095  177.700   30.128   35.851   3.6038   38.294   3.3660 -2.443207 4.931303 
1 1 1   22   16    5 o   48.608   2.9334  284.075   33.512  309.800   47.416  258.400   47.370   50.382   4.0189   45.822   4.4333 4.560005 5.983836 
1 1 1   22   16    6 o   51.212   3.0967  315.965   37.272  323.400   52.660  308.500   52.763   51.306   4.3889   50.046   4.5133 1.259438 6.295391 
1 1 1   22   16    7 o   16.018   1.6951   30.787   6.3143   36.400   8.9400   25.200   8.9197   17.340   2.2353   14.280   2.7449 3.060456 3.539956 
1 1 1   22   16    8 o   52.239   3.0962  329.106   38.024  360.200   53.812  298.100   53.736   54.174   4.2403   49.042   4.6977 5.132938 6.328391 
1 1 1   22   16    9 o   35.382   2.3869  150.128   19.826  175.500   28.023  124.700   28.054   38.062   3.1461   31.840   3.8068 6.221720 4.938570 
1 1 1   22   16   10 o   19.723   1.7971   46.610   8.2776   45.000   11.742   48.200   11.671   19.209   2.6600   19.918   2.5392 -0.7097721 3.677398 
1 1 1   22   16   11 o   16.579   1.7027   32.994   6.5713   36.200   9.3021   29.800   9.2843   17.256   2.3435   15.569   2.6183 1.686745 3.513913 
1 1 1   22   16   12 o   11.265   1.6636   15.399   4.2924   14.800   6.0632   16.000   6.0776   10.914   2.4164   11.367   2.3423 -0.4524269 3.365299 
1 1 1   22   16   13 o   11.559   1.6735   16.207   4.4350   14.600   6.2866   17.800   6.2577   10.825   2.5084   12.008   2.2905 -1.182813 3.396827 
1 1 1   22   16   14 o   27.107   2.0038   88.111   12.735   98.900   18.043   77.400   17.978   28.555   2.7083   25.122   3.0960 3.432102 4.113414 
1 1 1   22   16   15 o   25.380   1.9783   77.298   11.763   78.200   16.650   76.400   16.620   25.319   2.8335   25.013   2.8656 0.3055687 4.029968 
1 1 1   22   16   16 o   37.703   2.4399  171.315   21.607  188.500   30.588  154.200   30.525   39.221   3.3343   35.288   3.7192 3.932858 4.994987 
1 1 1   22   16   17 o   50.934   2.8730  314.748   34.413  384.900   48.773  245.200   48.563   55.848   3.7196   43.910   4.7598 11.93862 6.040787 
1 1 1   22   16   18 o   47.627   2.7600  274.990   30.907  326.000   43.799  224.400   43.618   51.392   3.6326   42.129   4.4520 9.262924 5.745908 
1 1 1   22   16   19 o   16.325   1.6360   32.047   6.2215   42.500   8.8426   21.800   8.7551   18.742   2.0305   13.166   2.8949 5.576359 3.535996 
1 1 1   22   16   20 o   40.388   2.4441  197.086   23.200  238.000   32.896  156.600   32.724   44.059   3.1833   35.307   3.9953 8.752174 5.108383 
1 1 1   22   16   21 o   23.487   1.7924   66.217   9.8661   80.700   14.043   52.100   13.864   25.807   2.3295   20.515   2.9466 5.292009 3.756206 
1 1 1   22   16   22 o   55.599   3.3247  380.491   43.450  452.700   61.473  308.400   61.422   59.785   4.3850   48.391   5.4714 11.39391 7.011744 
1 1 1   22   16   23 o   18.633   1.7649   41.818   7.6729   47.500   10.882   36.200   10.820   19.719   2.3856   17.069   2.7804 2.650143 3.663525 
1 1 1   22   16   24 o   30.872   2.1265  114.974   15.408  135.100   21.859   95.100   21.722   33.223   2.8127   27.599   3.4052 5.623684 4.416656 
1 1 1   22   16   25 o   13.967   1.8082   23.714   5.8237   31.700   8.1307   15.300   8.3455   16.087   2.1978   11.007   3.0862 5.079872 3.788826 
1 1 1   22   16   26 o   19.705   2.0427   47.184   9.3670   66.000   13.100   27.500   13.399   23.219   2.4251   14.519   3.8466 8.699949 4.547227 
1 1 1   22   16   27 o   35.848   2.5362  157.214   21.330  183.100   30.042  130.900   30.289   38.210   3.3639   31.794   4.1321 6.416037 5.328184 
1 1 1   22   16   28 o   17.669   2.5900   38.900   10.485   0.0000   0.0000   38.900   10.485  ?   ?    17.669   2.5900 0.000000 2.589959 
1 1 1   22   16   29 o   19.469   2.6437   47.300   11.839   0.0000   0.0000   47.300   11.839  ?   ?    19.469   2.6437 0.000000 2.643686 
1 1 1   22   16   30 o   26.955   3.0305   91.800   18.955   0.0000   0.0000   91.800   18.955  ?   ?    26.955   3.0305 0.000000 3.030502 
1 1 1   22   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   16   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17    0 o   4.9070   2.4601   4.2000   3.4935   4.2000   3.4935   4.2000   3.4935   4.9070   2.4601   4.9070   2.4601 0.000000 0.000000 
1 1 1   22   17    1 o   63.747   3.7073  492.897   55.564  497.000   78.612  488.800   78.547   63.137   5.3224   62.584   5.3670 0.5536728 7.558628 
1 1 1   22   17    2 o   48.216   2.9530  279.715   33.460  260.500   47.338  298.900   47.301   45.997   4.4125   49.435   4.0888 -3.437950 6.015663 
1 1 1   22   17    3 o   20.792   1.7847   51.707   8.6776   61.500   12.299   42.000   12.245   22.595   2.3391   18.510   2.8963 4.084465 3.722886 
1 1 1   22   17    4 o   39.827   2.5464  190.240   23.823  196.000   33.719  184.500   33.661   40.123   3.5972   38.881   3.7114 1.242001 5.168577 
1 1 1   22   17    5 o   22.737   1.8768   61.847   9.9865   65.200   14.130   58.500   14.116   23.209   2.6244   21.933   2.7886 1.276028 3.829366 
1 1 1   22   17    6 o   28.492   2.0719   97.138   13.845  101.100   19.610   93.200   19.549   28.888   2.9145   27.694   3.0393 1.194134 4.210898 
1 1 1   22   17    7 o   61.043   3.5786  452.597   51.358  465.200   72.640  440.000   72.623   61.039   5.0860   59.251   5.2448 1.787704 7.305860 
1 1 1   22   17    8 o   19.920   1.7803   47.523   8.2859   42.300   11.688   52.800   11.748   18.594   2.7445   20.885   2.4274 -2.291231 3.663965 
1 1 1   22   17    9 o   53.404   3.1672  345.059   39.762  368.900   56.280  321.300   56.184   54.625   4.4005   50.774   4.7410 3.851059 6.468484 
1 1 1   22   17   10 o   49.529   2.9110  296.114   33.896  337.500   48.015  255.000   47.857   52.443   3.9053   45.241   4.5410 7.201809 5.989332 
1 1 1   22   17   11 o   19.504   1.7456   45.591   7.9545   53.400   11.293   37.900   11.206   21.011   2.3144   17.549   2.7984 3.462767 3.631453 
1 1 1   22   17   12 o   43.683   2.6778  230.110   27.488  264.100   38.926  196.300   38.823   46.439   3.5772   39.722   4.2028 6.717266 5.519076 
1 1 1   22   17   13 o   33.872   2.2703  137.844   18.054  150.400   25.589  125.400   25.476   35.127   3.1173   31.944   3.4311 3.183542 4.635791 
1 1 1   22   17   14 o   27.153   2.0383   88.498   12.974   91.500   18.355   85.500   18.341   27.394   2.8806   26.438   2.9905 0.9557209 4.152198 
1 1 1   22   17   15 o  ?   ?   -3.2204   0.4395  -7.4000   0.6605   0.1000   0.5887  ?   ?    1.9145   0.7939 0.000000 0.7939460 
1 1 1   22   17   16 o   44.940   2.7666  244.755   29.216  277.300   41.347  212.300   41.289   47.362   3.7271   41.087   4.3204 6.275280 5.705912 
1 1 1   22   17   17 o   6.9571   1.7455   5.9928   2.8628   6.1000   4.2029   5.9000   3.9102   7.1597   2.2387   7.0150   2.1537 0.1446815 3.106499 
1 1 1   22   17   18 o   46.875   2.8026  266.859   30.879  309.600   43.742  224.400   43.598   49.978   3.7334   42.083   4.4551 7.895088 5.812576 
1 1 1   22   17   19 o   8.8211   1.7503   9.5988   3.5171   11.700   4.8659   7.3000   5.0895   9.6926   2.1790   7.8264   2.4662 1.866173 3.290873 
1 1 1   22   17   20 o   39.036   2.4985  184.402   22.910  211.300   32.428  157.600   32.370   41.410   3.3449   35.439   3.9346 5.971485 5.164186 
1 1 1   22   17   21 o   11.901   1.6812   17.211   4.5930   16.700   6.5681   17.700   6.4253   11.557   2.4809   11.928   2.3648 -0.3709326 3.427392 
1 1 1   22   17   22 o   41.217   2.4751  205.692   23.978  259.600   34.008  152.400   33.813   45.978   3.1513   34.626   4.2228 11.35175 5.269019 
1 1 1   22   17   23 o   42.548   2.8182  220.969   28.155  250.900   39.705  190.700   39.929   44.774   3.7910   38.575   4.4661 6.198921 5.858151 
1 1 1   22   17   24 o   7.0537   1.9587   6.1416   3.3786   13.200   4.5659  -2.4000   5.0228   10.334   1.9424   4.7421   2.1347 5.591768 2.886151 
1 1 1   22   17   25 o   24.447   1.8767   72.051   10.751   91.400   15.263   53.000   15.146   27.388   2.3838   20.508   3.2348 6.880791 4.018290 
1 1 1   22   17   26 o   21.338   1.8867   55.070   9.4084   63.200   13.289   46.900   13.322   22.669   2.5256   19.317   3.0193 3.351582 3.936345 
1 1 1   22   17   27 o   30.740   2.1094  114.658   15.219  149.500   21.695   80.900   21.355   34.856   2.6558   25.073   3.7196 9.783415 4.570399 
1 1 1   22   17   28 o   23.576   2.8351   69.400   15.467   0.0000   0.0000   69.400   15.467  ?   ?    23.576   2.8351 0.000000 2.835062 
1 1 1   22   17   29 o   14.369   2.5255   26.000   8.2562   0.0000   0.0000   26.000   8.2562  ?   ?    14.369   2.5255 0.000000 2.525474 
1 1 1   22   17   30 o   12.772   2.5178   20.700   7.3237   0.0000   0.0000   20.700   7.3237  ?   ?    12.772   2.5178 0.000000 2.517807 
1 1 1   22   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   17   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18    0 o   66.978   5.6639  556.800   88.106  556.800   88.106  556.800   88.106   66.978   5.6639   66.978   5.6639 0.000000 0.000000 
1 1 1   22   18    1 o   25.441   1.9540   77.424   11.649   97.900   16.485   57.000   16.463   28.524   2.4718   21.501   3.3519 7.023006 4.164793 
1 1 1   22   18    2 o   67.552   3.9239  556.654   62.323  567.000   88.122  546.300   88.154   67.073   5.6155   65.741   5.7361 1.331795 8.027220 
1 1 1   22   18    3 o   42.283   2.6593  214.843   26.416  225.400   37.370  204.300   37.346   42.961   3.7204   40.811   3.9237 2.150925 5.407118 
1 1 1   22   18    4 o   5.4930   1.5952   3.6500   2.1917   9.9000   3.0995  -2.6000   3.0995   9.0161   1.5092   3.4675   1.6042 5.548640 2.202464 
1 1 1   22   18    5 o   61.608   3.6122  461.549   52.321  463.000   74.019  460.100   73.966   60.770   5.2084   60.570   5.2225 0.2007484 7.375824 
1 1 1   22   18    6 o   25.785   1.9846   79.603   11.991   81.900   16.948   77.300   16.967   25.981   2.8072   25.208   2.9034 0.7721176 4.038561 
1 1 1   22   18    7 o   28.607   2.1184   98.082   14.209   89.600   20.133  106.500   20.056   27.070   3.2123   29.630   2.9037 -2.559988 4.330155 
1 1 1   22   18    8 o   9.8995   1.7013   11.970   3.8336   14.900   5.4494   9.1000   5.3940   10.987   2.1773   8.6289   2.5017 2.358581 3.316467 
1 1 1   22   18    9 o   39.831   2.5174  190.835   23.555  216.200   33.355  165.600   33.270   42.102   3.3836   36.611   3.9087 5.490211 5.169790 
1 1 1   22   18   10 o   13.333   1.6676   21.455   5.1355   18.300   7.2685   24.600   7.2568   12.123   2.6158   14.181   2.2416 -2.057736 3.444873 
1 1 1   22   18   11 o   34.127   2.3268  140.005   18.639  160.200   26.356  119.800   26.363   36.272   3.1071   31.142   3.6544 5.130411 4.796736 
1 1 1   22   18   12 o   30.791   2.0264  113.609   14.651  143.200   20.806   84.500   20.635   34.437   2.5772   26.154   3.4234 8.283337 4.285080 
1 1 1   22   18   13 o   11.517   1.6149   16.073   4.2711   20.800   6.1255   11.600   5.9585   13.045   2.0567   9.6565   2.5684 3.388696 3.290382 
1 1 1   22   18   14 o   54.795   3.2648  366.407   42.051  399.700   59.508  333.200   59.431   56.431   4.5033   51.158   4.9830 5.273045 6.716384 
1 1 1   22   18   15 o   27.472   2.0059   90.638   12.923  103.700   18.320   77.700   18.232   29.209   2.6862   25.109   3.1440 4.100042 4.135238 
1 1 1   22   18   16 o   48.256   2.8233  282.587   32.031  330.300   45.401  235.300   45.198   51.667   3.7468   43.123   4.5051 8.543743 5.859570 
1 1 1   22   18   17 o   18.427   1.7211   40.812   7.4023   52.400   10.509   29.400   10.428   20.803   2.1712   15.318   2.9904 5.485340 3.695505 
1 1 1   22   18   18 o   28.832   2.0266   99.931   13.710  119.800   19.447   80.300   19.330   31.393   2.6481   25.444   3.2947 5.948853 4.227021 
1 1 1   22   18   19 o   69.461   3.8851  599.996   63.469  716.800   89.877  483.800   89.642   74.563   5.1359   59.779   6.4528 14.78476 8.247164 
1 1 1   22   18   20 o   59.289   3.3851  432.794   47.196  512.000   66.832  354.000   66.658   63.543   4.4828   51.870   5.5273 11.67306 7.116646 
1 1 1   22   18   21 o   12.148   1.6146   17.886   4.5170   23.800   6.5111   12.400   6.2716   13.956   2.0358   9.9487   2.6298 4.006809 3.325653 
1 1 1   22   18   22 o   29.141   2.2192  102.650   15.156  137.300   21.388   67.700   21.481   33.542   2.7239   22.949   4.1151 10.59319 4.934951 
1 1 1   22   18   23 o   15.927   1.7170   30.634   6.3553   43.200   8.9937   18.100   8.9819   18.868   2.0517   11.937   3.1431 6.930610 3.753469 
1 1 1   22   18   24 o   44.220   2.8817  239.947   29.926  253.000   42.088  226.600   42.559   44.620   4.0383   41.972   4.3576 2.648529 5.941130 
1 1 1   22   18   25 o   18.595   1.7954   41.800   7.7853   48.600   11.010   35.000   11.010   19.895   2.3915   16.681   2.9005 3.214205 3.759289 
1 1 1   22   18   26 o   18.909   1.7112   43.174   7.5580   53.900   11.067   33.800   10.346   20.982   2.2699   16.405   2.7695 4.577055 3.580883 
1 1 1   22   18   27 o   40.395   3.9541  210.500   37.233   0.0000   0.0000  210.500   37.233  ?   ?    40.395   3.9541 0.000000 3.954094 
1 1 1   22   18   28 o   24.041   2.9913   72.800   16.615   0.0000   0.0000   72.800   16.615  ?   ?    24.041   2.9913 0.000000 2.991300 
1 1 1   22   18   29 o   17.992   2.6002   40.600   10.726   0.0000   0.0000   40.600   10.726  ?   ?    17.992   2.6002 0.000000 2.600153 
1 1 1   22   18   30 o   15.755   2.7515   31.600   9.8639   0.0000   0.0000   31.600   9.8639  ?   ?    15.755   2.7515 0.000000 2.751534 
1 1 1   22   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   18   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19    0 f   32.906   3.3124  133.100   25.140  133.100   25.140  133.100   25.140   32.906   3.3124   32.906   3.3124 0.000000 0.000000 
1 1 1   22   19    1 o   53.259   3.1891  343.247   39.923  326.500   56.456  360.000   56.464   51.205   4.7223   53.926   4.4746 -2.720158 6.505543 
1 1 1   22   19    2 o   27.902   2.0682   93.254   13.530   92.300   19.177   94.200   19.092   27.544   2.9967   27.842   2.9488 -0.2978687 4.204272 
1 1 1   22   19    3 o   20.192   1.8270   48.876   8.6171   45.400   12.233   52.300   12.141   19.263   2.7688   20.757   2.5293 -1.493116 3.750167 
1 1 1   22   19    4 o   35.924   2.3970  154.957   20.217  166.500   28.582  143.400   28.600   36.972   3.3089   34.194   3.5959 2.777767 4.886656 
1 1 1   22   19    5 o   28.054   1.9849   94.203   13.064  109.200   18.567   79.500   18.384   30.066   2.6421   25.493   3.1190 4.572336 4.087630 
1 1 1   22   19    6 o   60.064   3.5467  439.800   50.081  438.700   70.817  440.900   70.834   58.991   5.1350   59.149   5.1220 -0.1580811 7.252852 
1 1 1   22   19    7 o   49.202   2.9729  292.855   34.377  307.500   48.691  278.300   48.543   49.852   4.1747   47.293   4.3972 2.558800 6.063260 
1 1 1   22   19    8 o   57.313   3.3315  399.598   44.893  448.100   63.556  351.300   63.422   59.978   4.5207   52.650   5.1679 7.328415 6.866162 
1 1 1   22   19    9 o   44.094   2.7132  234.627   28.113  249.100   39.859  220.300   39.657   44.988   3.7873   42.176   4.0310 2.812019 5.531003 
1 1 1   22   19   10 o   57.939   3.2337  408.187   44.065  480.700   62.453  336.300   62.182   62.230   4.2759   51.404   5.1940 10.82565 6.727646 
1 1 1   22   19   11 o   23.275   1.8869   64.981   10.281   74.500   14.555   55.500   14.526   24.789   2.5216   21.240   2.9780 3.548971 3.902150 
1 1 1   22   19   12 o   35.957   2.3346  155.582   19.715  171.600   27.941  139.700   27.823   37.475   3.1878   33.645   3.5559 3.829350 4.775596 
1 1 1   22   19   13 o   18.521   1.6697   41.153   7.2240   55.300   10.289   27.400   10.145   21.415   2.0601   14.788   3.0076 6.626486 3.645484 
1 1 1   22   19   14 o   31.857   2.1898  122.093   16.373  135.700   23.204  108.600   23.106   33.340   2.9787   29.663   3.3580 3.677799 4.488743 
1 1 1   22   19   15 o   49.707   2.9780  300.732   34.793  329.700   49.264  271.900   49.147   51.386   4.0939   46.343   4.5497 5.042744 6.120437 
1 1 1   22   19   16 o   21.292   1.8252   54.475   9.0879   59.500   12.884   49.500   12.820   22.094   2.5144   20.054   2.7822 2.040136 3.750037 
1 1 1   22   19   17 o   24.621   1.9112   72.839   11.024   82.700   15.639   63.100   15.542   26.068   2.5743   22.615   2.9832 3.452791 3.940325 
1 1 1   22   19   18 o   6.2509   1.6636   4.8189   2.4989   3.3000   3.4991   6.4000   3.5699   5.6998   2.0450   7.2115   2.0173 -1.511776 2.872509 
1 1 1   22   19   19 o   43.727   2.6074  231.796   26.800  280.400   37.982  183.600   37.822   47.688   3.3950   38.055   4.2833 9.632999 5.465619 
1 1 1   22   19   20 o   22.947   1.8551   63.321   9.9659   82.300   14.123   44.500   14.065   26.058   2.3195   18.815   3.2852 7.243374 4.021561 
1 1 1   22   19   21 o   52.605   3.0891  339.183   38.204  414.000   54.107  264.800   53.950   57.427   4.0153   44.996   5.1716 12.43058 6.547395 
1 1 1   22   19   22 o   48.189   2.8408  283.594   32.183  351.500   45.600  216.200   45.427   53.102   3.6589   40.807   4.8065 12.29443 6.040673 
1 1 1   22   19   23 o   77.376   4.8999  780.138   89.065  861.700  125.659  697.800  126.256   77.868   6.9056   68.175   7.9945 9.692993 10.56407 
1 1 1   22   19   24 o   20.638   1.7884   51.388   8.6295   74.300   12.234   28.700   12.174   24.750   2.1136   14.898   3.5170 9.851778 4.103200 
1 1 1   22   19   25 o   11.270   1.6753   15.520   4.3228   22.600   6.6726   10.400   5.6747   13.523   2.1624   9.1054   2.5421 4.417976 3.337378 
1 1 1   22   19   26 o   23.783   2.9214   70.700   16.062   0.0000   0.0000   70.700   16.062  ?   ?    23.783   2.9214 0.000000 2.921441 
1 1 1   22   19   27 o   38.613   3.8678  192.500   34.792   0.0000   0.0000  192.500   34.792  ?   ?    38.613   3.8678 0.000000 3.867802 
1 1 1   22   19   28 o   26.824   3.0249   90.800   18.826   0.0000   0.0000   90.800   18.826  ?   ?    26.824   3.0249 0.000000 3.024939 
1 1 1   22   19   29 o   16.846   2.5770   35.700   9.9252   0.0000   0.0000   35.700   9.9252  ?   ?    16.846   2.5770 0.000000 2.576983 
1 1 1   22   19   30 o   11.218   2.6876   16.200   7.0260   0.0000   0.0000   16.200   7.0260  ?   ?    11.218   2.6876 0.000000 2.687609 
1 1 1   22   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   19   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20    0 o   41.988   3.8817  217.000   37.731  217.000   37.731  217.000   37.731   41.988   3.8817   41.988   3.8817 0.000000 0.000000 
1 1 1   22   20    1 o   24.259   1.8677   70.462   10.617   85.700   15.058   55.400   14.971   26.653   2.4189   21.221   3.0774 5.432632 3.914313 
1 1 1   22   20    2 o   49.123   3.0054  292.009   34.694  326.200   49.058  257.800   49.071   51.419   4.0737   45.383   4.6445 6.036777 6.177912 
1 1 1   22   20    3 o   52.068   3.1353  328.696   38.369  320.500   54.248  336.900   54.277   50.671   4.5833   52.033   4.4606 -1.361897 6.395586 
1 1 1   22   20    4 o   6.2731   1.6505   4.8455   2.4779   4.5000   3.4821   5.2000   3.5268   6.2622   2.0463   6.6154   2.0479 -0.3531175 2.894984 
1 1 1   22   20    5 o   36.732   2.4154  162.241   20.833  156.000   29.442  168.500   29.483   35.646   3.5449   37.113   3.4021 -1.467331 4.913333 
1 1 1   22   20    6 o   42.886   2.6759  221.822   26.963  237.400   38.165  206.300   38.098   43.955   3.7118   40.824   4.0036 3.130726 5.459446 
1 1 1   22   20    7 o   28.688   2.0954   98.747   14.096   97.200   19.919  100.300   19.951   28.215   3.0376   28.680   2.9899 -0.4655933 4.262202 
1 1 1   22   20    8 f   32.762   2.2671  129.008   17.432  125.800   24.682  132.200   24.622   32.033   3.3108   32.880   3.2122 -0.8471565 4.613016 
1 1 1   22   20    9 o   52.770   3.0715  338.094   38.108  386.100   53.981  290.400   53.804   55.802   4.1259   47.938   4.8184 7.863873 6.343473 
1 1 1   22   20   10 o   39.814   2.4423  190.909   22.851  225.000   32.383  157.100   32.249   42.936   3.2173   35.552   3.9057 7.384033 5.060210 
1 1 1   22   20   11 o   37.788   2.3839  171.984   21.163  207.500   30.000  136.800   29.859   41.250   3.1026   33.132   3.8905 8.118279 4.976172 
1 1 1   22   20   12 o   22.437   1.7991   60.375   9.4518   71.900   13.441   49.100   13.294   24.369   2.3656   19.954   2.9067 4.414949 3.747645 
1 1 1   22   20   13 o   18.389   1.7432   40.644   7.4792   45.500   10.640   35.900   10.516   19.328   2.3816   17.055   2.7011 2.272413 3.601106 
1 1 1   22   20   14 o   10.060   1.6996   12.380   3.8936   11.100   5.5734   13.600   5.4416   9.4352   2.4719   10.453   2.2696 -1.017781 3.355827 
1 1 1   22   20   15 o   48.908   2.7919  290.280   32.110  359.900   45.498  221.200   45.322   54.013   3.5877   41.646   4.6902 12.36665 5.905027 
1 1 1   22   20   16 o   38.625   2.4844  180.368   22.540  216.100   31.912  144.800   31.839   41.958   3.2462   33.926   4.0548 8.032234 5.194122 
1 1 1   22   20   17 o   47.224   2.7208  270.628   30.212  346.500   42.818  195.400   42.635   53.040   3.4372   39.037   4.7211 14.00269 5.839818 
1 1 1   22   20   18 o   8.7223   1.7037   9.3773   3.3831   7.3000   4.7055   11.600   4.8674   7.7645   2.3585   9.6470   2.1871 -1.882477 3.216553 
1 1 1   22   20   19 o   45.037   2.6313  246.089   27.862  291.100   39.518  201.600   39.288   48.526   3.4716   39.900   4.2346 8.626423 5.475802 
1 1 1   22   20   20 o   39.644   2.5858  190.809   24.074  203.200   34.033  178.400   34.058   40.405   3.6048   37.687   3.8826 2.718010 5.298028 
1 1 1   22   20   21 o   47.872   2.9398  280.492   33.072  318.200   46.807  242.900   46.735   50.284   3.9745   43.423   4.6293 6.861217 6.101348 
1 1 1   22   20   22 o   30.766   2.1272  114.363   15.359  135.300   21.792   93.700   21.649   33.207   2.8054   27.330   3.4301 5.876822 4.431265 
1 1 1   22   20   23 o   25.312   2.0088   77.478   11.908   89.500   16.822   65.400   16.860   26.981   2.6755   22.817   3.2187 4.164219 4.185505 
1 1 1   22   20   24 o   27.286   2.0134   90.094   12.882  114.000   18.258   66.400   18.177   30.495   2.5592   22.839   3.4803 7.655813 4.319979 
1 1 1   22   20   25 o   11.619   2.4278   17.000   6.4463   0.0000   0.0000   17.000   6.4463  ?   ?    11.619   2.4278 0.000000 2.427805 
1 1 1   22   20   26 o   21.655   2.7959   58.600   13.963   0.0000   0.0000   58.600   13.963  ?   ?    21.655   2.7959 0.000000 2.795933 
1 1 1   22   20   27 o   14.136   2.5460   25.200   8.1859   0.0000   0.0000   25.200   8.1859  ?   ?    14.136   2.5460 0.000000 2.546005 
1 1 1   22   20   28 o   19.153   2.6750   46.100   11.768   0.0000   0.0000   46.100   11.768  ?   ?    19.153   2.6750 0.000000 2.675024 
1 1 1   22   20   29 f   17.507   2.6123   38.600   10.469   0.0000   0.0000   38.600   10.469  ?   ?    17.507   2.6123 0.000000 2.612286 
1 1 1   22   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   20   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21    0 o   8.1438   2.8380   10.300   4.9341   10.300   4.9341   10.300   4.9341   8.1438   2.8380   8.1438   2.8380 0.000000 0.000000 
1 1 1   22   21    1 o   65.009   3.8051  518.540   58.157  543.300   82.263  493.800   82.231   65.345   5.3790   62.030   5.6770 3.315445 7.820604 
1 1 1   22   21    2 o   25.941   1.9917   80.700   12.107   76.600   17.122   84.800   17.122   25.037   2.9529   26.405   2.7882 -1.368254 4.061271 
1 1 1   22   21    3 o   56.960   3.3491  395.207   44.848  439.600   63.456  350.900   63.394   59.322   4.5650   52.558   5.1751 6.764614 6.900805 
1 1 1   22   21    4 o   8.8130   1.6043   9.5139   3.2157   13.600   4.5975   5.6000   4.4996   10.523   1.9210   7.0149   2.3277 3.507833 3.018043 
1 1 1   22   21    5 o   37.695   2.4523  171.068   21.710  178.600   30.768  163.600   30.636   38.166   3.4513   36.454   3.6064 1.712170 4.991746 
1 1 1   22   21    6 f   10.174   1.6603   12.624   3.8514   10.500   5.3545   14.900   5.5438   9.1949   2.4296   10.971   2.2162 -1.776451 3.288496 
1 1 1   22   21    7 o   42.239   2.6790  215.551   26.582  217.100   37.575  214.000   37.611   41.897   3.8407   41.578   3.8754 0.3192215 5.456193 
1 1 1   22   21    8 f   52.518   3.1894  335.962   39.365  332.900   55.779  339.000   55.564   51.410   4.6450   51.927   4.5783 -0.5176392 6.521977 
1 1 1   22   21    9 o   32.600   2.2663  127.911   17.337  124.700   24.562  131.100   24.476   31.846   3.3148   32.700   3.2113 -0.8538666 4.615217 
1 1 1   22   21   10 o  ?   ?   -1.8314   0.4287  -1.6000   0.8965  -1.9000   0.4882   1.5644   0.7611  ?   ?  0.000000 0.7610555 
1 1 1   22   21   11 o   7.6672   1.6895   7.2707   2.9764   8.4000   4.3777   6.3000   4.0588   8.2339   2.2067   7.2285   2.1893 1.005353 3.108487 
1 1 1   22   21   12 f   34.723   2.3132  145.309   18.858  157.200   26.715  133.500   26.624   35.802   3.1936   32.854   3.4851 2.948437 4.726998 
1 1 1   22   21   13 o   38.643   2.5114  180.492   22.792  187.200   32.251  173.800   32.215   38.919   3.5483   37.420   3.6940 1.498978 5.122130 
1 1 1   22   21   14 o   22.489   1.6763   60.571   8.8382   81.700   12.599   40.100   12.401   26.051   2.0650   17.942   3.0353 8.108713 3.671131 
1 1 1   22   21   15 o   67.635   3.7565  566.281   59.759  666.000   84.648  467.200   84.377   72.106   5.0024   59.208   6.1235 12.89780 7.907019 
1 1 1   22   21   16 o   19.376   1.7699   45.152   8.0087   50.800   11.375   39.600   11.278   20.413   2.4059   17.895   2.7575 2.517700 3.659531 
1 1 1   22   21   17 o   16.476   1.7370   32.726   6.6561   36.900   9.3837   28.500   9.4429   17.368   2.3482   15.127   2.7447 2.241578 3.612086 
1 1 1   22   21   18 o   52.676   2.9726  338.794   36.825  412.400   52.205  265.900   51.952   57.492   3.8679   45.353   4.9305 12.13989 6.266581 
1 1 1   22   21   19 o   24.834   1.8578   74.120   10.816   94.400   15.384   54.300   15.209   27.904   2.3568   20.854   3.1900 7.050911 3.966179 
1 1 1   22   21   20 o   22.183   1.8112   59.206   9.4046   76.500   13.356   42.200   13.245   25.109   2.2775   18.320   3.1768 6.788748 3.908820 
1 1 1   22   21   21 f   12.476   1.7109   18.932   4.9076   23.900   6.9179   13.900   6.9629   13.936   2.1731   10.496   2.7692 3.440026 3.520046 
1 1 1   22   21   22 o   10.052   1.6988   12.405   3.8889   12.900   5.4743   11.900   5.5255   10.135   2.3354   9.7258   2.4166 0.4090462 3.360682 
1 1 1   22   21   23 o   17.742   1.6465   37.959   6.8192   51.800   9.8067   25.000   9.4888   20.646   2.0381   14.018   2.9595 6.628839 3.593403 
1 1 1   22   21   24 o   22.489   2.7749   62.900   14.424   0.0000   0.0000   62.900   14.424  ?   ?    22.489   2.7749 0.000000 2.774874 
1 1 1   22   21   25 o   33.405   3.4204  141.400   26.601   0.0000   0.0000  141.400   26.601  ?   ?    33.405   3.4204 0.000000 3.420435 
1 1 1   22   21   26 o   10.876   2.6229   15.100   6.6577   0.0000   0.0000   15.100   6.6577  ?   ?    10.876   2.6229 0.000000 2.622855 
1 1 1   22   21   27 o   15.305   2.5561   29.500   8.9121   0.0000   0.0000   29.500   8.9121  ?   ?    15.305   2.5561 0.000000 2.556099 
1 1 1   22   21   28 o   29.249   3.1879  109.000   21.661   0.0000   0.0000  109.000   21.661  ?   ?    29.249   3.1879 0.000000 3.187882 
1 1 1   22   21   29 o   22.729   2.8203   65.200   14.811   0.0000   0.0000   65.200   14.811  ?   ?    22.729   2.8203 0.000000 2.820272 
1 1 1   22   21   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   21   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22    0 o   51.203   4.5352  325.000   53.845  325.000   53.845  325.000   53.845   51.203   4.5352   51.203   4.5352 0.000000 0.000000 
1 1 1   22   22    1 o   10.788   1.6355   14.146   4.0358   18.300   5.7453   10.100   5.6703   12.217   2.0650   9.0463   2.5466 3.171168 3.278645 
1 1 1   22   22    2 o   44.825   2.6916  242.682   28.358  277.900   40.172  207.700   40.036   47.567   3.6032   40.789   4.2176 6.778072 5.547167 
1 1 1   22   22    3 o   61.060   3.6158  457.251   51.901  459.400   73.379  455.100   73.420   60.008   5.2308   59.698   5.2621 0.3092918 7.419611 
1 1 1   22   22    4 o   30.713   2.0818  113.200   15.009  137.800   21.269   88.800   21.183   33.726   2.6931   26.799   3.4258 6.927694 4.357612 
1 1 1   22   22    5 o   28.092   2.0805   94.805   13.703   98.500   19.366   91.100   19.391   28.403   2.9294   27.262   3.0654 1.141386 4.240062 
1 1 1   22   22    6 o   9.3653   1.6872   10.753   3.5941   11.500   5.0742  10.0000   5.0914   9.6099   2.2719   8.9717   2.3685 0.6382160 3.281925 
1 1 1   22   22    7 o   51.310   2.9177  319.392   35.204  370.900   49.986  268.700   49.589   54.748   3.8919   46.126   4.6147 8.621861 6.036739 
1 1 1   22   22    8 o   18.075   1.7335   39.261   7.3079   42.800   10.472   35.900   10.204   18.731   2.4244   17.083   2.6124 1.648054 3.564034 
1 1 1   22   22    9 o   28.120   1.9886   94.924   13.120  113.100   18.619   77.000   18.490   30.536   2.6072   24.969   3.2102 5.566881 4.135564 
1 1 1   22   22   10 o   21.426   1.8775   55.189   9.4035   67.300   13.277   43.000   13.320   23.548   2.4224   18.571   3.1499 4.976791 3.973645 
1 1 1   22   22   11 o   26.261   1.9691   82.844   12.122  102.300   17.167   63.500   17.118   29.047   2.5281   22.600   3.3053 6.446978 4.161314 
1 1 1   22   22   12 o   52.697   3.1987  339.499   39.615  339.800   56.150  339.200   55.898   51.760   4.6434   51.728   4.6250 0.3179169E-01 6.553771 
1 1 1   22   22   13 o   55.213   3.0856  371.880   40.068  439.800   56.800  304.600   56.531   59.363   4.0767   48.707   4.9854 10.65580 6.439970 
1 1 1   22   22   14 f   36.410   2.2819  159.780   19.520  198.000   27.667  121.900   27.544   40.291   2.9280   31.197   3.8187 9.094603 4.812006 
1 1 1   22   22   15 o   71.540   4.0821  639.519   68.675  739.400   97.209  540.000   97.032   75.282   5.5065   62.985   6.6233 12.29765 8.613357 
1 1 1   22   22   16 o   17.769   1.6725   37.955   6.9351   51.900   9.8596   24.300   9.7566   20.723   2.0413   13.870   3.0609 6.852964 3.679109 
1 1 1   22   22   17 o   60.381   3.3678  448.878   47.827  530.900   67.772  367.500   67.505   64.700   4.4632   52.861   5.4880 11.83981 7.073771 
1 1 1   22   22   18 o   24.997   1.8418   75.069   10.795  105.900   15.324   44.700   15.209   29.611   2.2074   18.757   3.5640 10.85425 4.192260 
1 1 1   22   22   19 o   5.1023   1.6286   3.0402   2.2141   6.8000   3.2280  -0.3000   3.0426   7.3970   1.8522   4.0494   1.7469 3.347664 2.546016 
1 1 1   22   22   20 o   15.781   1.6577   30.057   6.0851   39.800   8.7670   21.000   8.4527   18.082   2.0919   12.882   2.8539 5.199946 3.538500 
1 1 1   22   22   21 o   30.398   2.1481  111.855   15.320  136.700   21.685   87.100   21.646   33.355   2.7785   26.219   3.5905 7.135654 4.540030 
1 1 1   22   22   22 o   30.922   2.1636  115.947   15.698  140.500   22.248   91.600   22.154   33.756   2.8168   26.847   3.5840 6.908686 4.558475 
1 1 1   22   22   23 o   24.174   2.8423   72.700   15.915   0.0000   0.0000   72.700   15.915  ?   ?    24.174   2.8423 0.000000 2.842330 
1 1 1   22   22   24 o   9.8219   2.4039   12.200   5.5302   0.0000   0.0000   12.200   5.5302  ?   ?    9.8219   2.4039 0.000000 2.403909 
1 1 1   22   22   25 o   3.5276   1.4729   0.3000   2.0457   0.0000   0.0000   0.3000   2.0457  ?   ?    3.5276   1.4729 0.000000 1.472876 
1 1 1   22   22   26 o   14.419   2.6090   26.300   8.5560   0.0000   0.0000   26.300   8.5560  ?   ?    14.419   2.6090 0.000000 2.608956 
1 1 1   22   22   27 o   16.306   2.5932   33.500   9.6506   0.0000   0.0000   33.500   9.6506  ?   ?    16.306   2.5932 0.000000 2.593206 
1 1 1   22   22   28 o   3.1236   1.3308   0.0000   1.7253   0.0000   0.0000   0.0000   1.7253  ?   ?    3.1236   1.3308 0.000000 1.330779 
1 1 1   22   22   29 o   13.947   2.5430   24.700   8.0669   0.0000   0.0000   24.700   8.0669  ?   ?    13.947   2.5430 0.000000 2.543028 
1 1 1   22   22   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   22   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23    0 o   36.484   3.5542  164.300   29.953  164.300   29.953  164.300   29.953   36.484   3.5542   36.484   3.5542 0.000000 0.000000 
1 1 1   22   23    1 o   24.874   1.9607   74.297   11.423   73.200   16.132   75.400   16.177   24.465   2.8456   24.846   2.8066 -0.3808002 3.996812 
1 1 1   22   23    2 o   10.360   1.6707   13.090   3.9481   12.200   5.5520   14.000   5.6155   9.8897   2.4014   10.609   2.3073 -0.7193079 3.330231 
1 1 1   22   23    3 o   34.241   2.3227  141.201   18.669  137.700   26.405  144.700   26.400   33.446   3.3902   34.330   3.2971 -0.8843307 4.729082 
1 1 1   22   23    4 o   25.574   1.9826   78.553   11.879   87.200   16.797   69.900   16.803   26.769   2.6939   23.832   3.0563 2.937178 4.074053 
1 1 1   22   23    5 o   14.104   1.6877   24.011   5.5089   21.500   7.8085   26.500   7.7732   13.144   2.6079   14.696   2.3167 -1.552188 3.488324 
1 1 1   22   23    6 o   19.256   1.8222   44.598   8.1872   48.400   11.506   40.700   11.652   19.914   2.5022   18.156   2.8084 1.757719 3.761430 
1 1 1   22   23    7 o   28.102   2.0803   94.950   13.707   92.300   19.384   97.600   19.384   27.426   3.0445   28.243   2.9501 -0.8167763 4.239318 
1 1 1   22   23    8 o   38.428   2.5096  178.402   22.648  176.800   32.052  180.000   32.006   37.791   3.6367   38.154   3.5949 -0.3628006 5.113540 
1 1 1   22   23    9 o   17.661   1.7102   37.496   7.0428   45.500   9.9939   29.600   9.9266   19.362   2.2263   15.418   2.8308 3.944126 3.601372 
1 1 1   22   23   10 o   41.933   2.5720  212.632   25.344  248.200   35.902  177.300   35.783   44.927   3.4096   37.593   4.0972 7.333836 5.330371 
1 1 1   22   23   11 o   36.393   2.4313  159.961   20.774  155.700   29.417  164.200   29.340   35.455   3.5618   36.470   3.4478 -1.015503 4.957228 
1 1 1   22   23   12 o   13.162   1.6451   20.946   5.0015   23.400   7.0783   18.500   7.0680   13.796   2.2504   12.174   2.5408 1.621666 3.394097 
1 1 1   22   23   13 o   62.501   3.6326  482.624   53.382  560.800   75.579  404.800   75.408   66.251   4.8651   55.306   5.8636 10.94566 7.619083 
1 1 1   22   23   14 o   15.965   1.7504   30.754   6.4909   35.600   9.1289   25.800   9.2310   17.062   2.3264   14.359   2.8230 2.703161 3.658111 
1 1 1   22   23   15 o   62.197   3.4466  476.777   50.422  632.400   71.428  322.200   71.187   70.860   4.2890   48.727   6.3368 22.13311 7.651840 
1 1 1   22   23   16 o   27.143   1.9426   88.572   12.369  116.500   17.533   60.900   17.452   31.008   2.4135   22.017   3.4719 8.991581 4.228363 
1 1 1   22   23   17 o   19.858   1.8397   47.530   8.5291   52.200   12.024   42.800   12.100   20.644   2.5188   18.568   2.8508 2.076336 3.804157 
1 1 1   22   23   18 o   30.969   2.0953  115.688   15.233  151.400   21.669   80.800   21.418   35.246   2.6223   25.266   3.6994 9.979841 4.534574 
1 1 1   22   23   19 o   32.429   2.2648  127.438   17.234  167.000   24.376   87.900   24.369   36.896   2.8192   26.133   4.0826 10.76304 4.961371 
1 1 1   22   23   20 o   20.292   1.9625   49.888   9.2865   66.700   13.042   32.600   13.226   23.357   2.3988   15.874   3.6099 7.482998 4.334265 
1 1 1   22   23   21 o   6.8997   1.8182   5.9153   3.0039   5.3000   4.3035   6.5000   4.1948   6.8003   2.2770   7.3104   2.2283 -0.5101595 3.185896 
1 1 1   22   23   22 o   9.3454   2.5628   11.000   5.8251   0.0000   0.0000   11.000   5.8251  ?   ?    9.3454   2.5628 0.000000 2.562821 
1 1 1   22   23   23 o   13.029   2.5516   21.400   7.5692   0.0000   0.0000   21.400   7.5692  ?   ?    13.029   2.5516 0.000000 2.551579 
1 1 1   22   23   24 o   14.463   2.6167   26.400   8.6078   0.0000   0.0000   26.400   8.6078  ?   ?    14.463   2.6167 0.000000 2.616748 
1 1 1   22   23   25 o   20.273   2.6938   51.500   12.576   0.0000   0.0000   51.500   12.576  ?   ?    20.273   2.6938 0.000000 2.693752 
1 1 1   22   23   26 o   23.833   2.9156   71.700   16.066   0.0000   0.0000   71.700   16.066  ?   ?    23.833   2.9156 0.000000 2.915552 
1 1 1   22   23   27 o   9.4211   2.4078   11.300   5.3766   0.0000   0.0000   11.300   5.3766  ?   ?    9.4211   2.4078 0.000000 2.407765 
1 1 1   22   23   28 o   12.309   2.5093   19.300   7.0460   0.0000   0.0000   19.300   7.0460  ?   ?    12.309   2.5093 0.000000 2.509323 
1 1 1   22   23   29 o   18.290   2.9145   42.900   12.165   0.0000   0.0000   42.900   12.165  ?   ?    18.290   2.9145 0.000000 2.914543 
1 1 1   22   23   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   23   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24    0 o   9.6929   2.8996   13.800   5.7805   13.800   5.7805   13.800   5.7805   9.6929   2.8996   9.6929   2.8996 0.000000 0.000000 
1 1 1   22   24    1 o   25.202   1.9578   76.284   11.559   85.700   16.361   66.900   16.334   26.543   2.6457   23.305   3.0405 3.237867 4.030390 
1 1 1   22   24    2 o   31.775   2.2313  121.547   16.636  122.200   23.589  120.900   23.464   31.541   3.2120   31.371   3.2128 0.1698627 4.543018 
1 1 1   22   24    3 o   10.954   1.6419   14.590   4.1162   13.500   5.7945   15.700   5.8483   10.400   2.4070   11.248   2.2799 -0.8479366 3.315372 
1 1 1   22   24    4 o   67.009   3.8985  556.038   61.421  594.000   86.933  518.200   86.791   67.765   5.4796   62.821   5.9205 4.944500 8.067119 
1 1 1   22   24    5 o   27.642   2.0209   91.795   13.100   98.400   18.603   85.300   18.449   28.402   2.8107   26.360   3.0182 2.042223 4.124290 
1 1 1   22   24    6 o   34.528   2.3198  143.680   18.804  153.200   26.620  134.200   26.565   35.332   3.2263   32.954   3.4657 2.377777 4.735017 
1 1 1   22   24    7 o   22.504   1.8791   60.853   9.8942   55.700   13.996   66.000   13.989   21.278   2.8577   23.269   2.5898 -1.990690 3.856651 
1 1 1   22   24    8 o   71.779   4.0207  640.573   67.875  762.200   96.139  519.700   95.841   76.887   5.3281   62.008   6.6492 14.87865 8.520586 
1 1 1   22   24    9 o   14.076   1.6966   23.937   5.5257   22.900   7.7673   25.000   7.8624   13.587   2.5135   14.231   2.4267 -0.6444569 3.493794 
1 1 1   22   24   10 o   49.691   2.8870  300.298   33.730  369.100   47.807  232.100   47.597   54.589   3.7311   42.560   4.8210 12.02847 6.096170 
1 1 1   22   24   11 o   30.544   2.1812  112.391   15.628  118.900   22.117  105.900   22.087   31.133   3.0475   29.291   3.2479 1.841974 4.453828 
1 1 1   22   24   12 o   56.502   3.3371  392.009   44.326  475.400   62.721  308.800   62.653   61.434   4.3517   48.492   5.5728 12.94182 7.070603 
1 1 1   22   24   13 o   30.520   2.1842  112.307   15.637  124.200   22.108  100.400   22.121   31.830   2.9759   28.445   3.3581 3.384893 4.486940 
1 1 1   22   24   14 o   16.979   1.7229   34.728   6.8120   38.800   9.6596   30.700   9.6077   17.813   2.3542   15.727   2.6834 2.086052 3.569749 
1 1 1   22   24   15 o   18.038   1.7718   39.208   7.4494   40.100   10.488   38.300   10.582   18.061   2.5286   17.617   2.6239 0.4436283 3.643941 
1 1 1   22   24   16 o   25.200   1.9919   76.558   11.756   84.100   16.618   69.000   16.635   26.193   2.7267   23.585   3.0589 2.608252 4.097797 
1 1 1   22   24   17 o   11.660   1.8789   16.674   4.9976   22.200   6.8285   10.300   7.3339   13.408   2.2354   9.2531   2.9652 4.155338 3.713378 
1 1 1   22   24   18 o   27.971   2.0498   94.516   13.445  127.400   19.039   61.800   18.990   32.323   2.5141   21.949   3.8017 10.37467 4.557795 
1 1 1   22   24   19 o   26.016   1.9609   81.744   11.958  110.900   17.001   53.200   16.822   30.165   2.4069   20.370   3.6302 9.794064 4.355622 
1 1 1   22   24   20 o   35.216   2.4249  151.266   20.042  177.200   28.335  125.300   28.353   37.686   3.2148   31.233   3.9315 6.453403 5.078527 
1 1 1   22   24   21 o   23.558   2.8932   69.200   15.757   0.0000   0.0000   69.200   15.757  ?   ?    23.558   2.8932 0.000000 2.893214 
1 1 1   22   24   22 o  ?   ?   -6.1000   1.0194   0.0000   0.0000  -6.1000   1.0194  ?   ?   ?   ?  0.000000      ? 
1 1 1   22   24   23 o   26.046   3.0611   85.500   18.468   0.0000   0.0000   85.500   18.468  ?   ?    26.046   3.0611 0.000000 3.061101 
1 1 1   22   24   24 o   21.496   2.8212   58.100   13.975   0.0000   0.0000   58.100   13.975  ?   ?    21.496   2.8212 0.000000 2.821219 
1 1 1   22   24   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   26 o   22.518   2.9350   64.200   15.235   0.0000   0.0000   64.200   15.235  ?   ?    22.518   2.9350 0.000000 2.935028 
1 1 1   22   24   27 o   12.501   2.8384   20.200   8.1875   0.0000   0.0000   20.200   8.1875  ?   ?    12.501   2.8384 0.000000 2.838405 
1 1 1   22   24   28 o   45.455   4.5836  284.300   48.526   0.0000   0.0000  284.300   48.526  ?   ?    45.455   4.5836 0.000000 4.583578 
1 1 1   22   24   29 o   26.162   3.1316   88.200   18.962   0.0000   0.0000   88.200   18.962  ?   ?    26.162   3.1316 0.000000 3.131620 
1 1 1   22   24   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   24   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25    0 o   16.406   2.7259   34.600   9.6838   34.600   9.6838   34.600   9.6838   16.406   2.7259   16.406   2.7259 0.000000 0.000000 
1 1 1   22   25    1 o   43.921   2.7560  233.889   28.439  254.100   40.229  213.700   40.208   45.266   3.7988   41.278   4.1829 3.988163 5.650429 
1 1 1   22   25    2 o   28.560   2.0967   98.102   14.041  101.800   19.851   94.400   19.864   28.842   2.9566   27.719   3.0872 1.122793 4.274569 
1 1 1   22   25    3 o   81.813   4.7866  848.164   92.069  924.000  130.236  772.400  130.174   82.737   6.7243   74.507   7.5009 8.229828 10.07369 
1 1 1   22   25    4 o   11.976   1.6625   17.397   4.5746   16.900   6.4492   17.900   6.4899   11.651   2.4232   12.008   2.3730 -0.3569078 3.391564 
1 1 1   22   25    5 o   31.053   2.1829  116.087   15.905  121.500   22.519  110.700   22.465   31.483   3.0681   29.981   3.2239 1.501883 4.450527 
1 1 1   22   25    6 o   12.903   1.6336   20.130   4.8660   23.300   7.0206   17.200   6.7504   13.771   2.2356   11.738   2.5113 2.033227 3.362266 
1 1 1   22   25    7 o   27.934   2.1254   93.974   13.914   75.200   19.717  112.600   19.639   24.545   3.5010   30.396   2.7664 -5.851526 4.462057 
1 1 1   22   25    8 o   55.710   3.3544  380.846   43.921  388.000   62.131  373.700   62.097   55.148   4.8195   54.032   4.9209 1.115852 6.887918 
1 1 1   22   25    9 o   32.213   2.2555  125.112   17.048  132.300   24.090  117.900   24.129   32.816   3.1474   30.877   3.3638 1.938719 4.606689 
1 1 1   22   25   10 o   27.189   1.9343   88.793   12.338  114.200   17.574   64.100   17.325   30.706   2.4439   22.672   3.3359 8.034775 4.135374 
1 1 1   22   25   11 o   22.889   1.8889   63.012   10.118   58.500   14.250   67.600   14.369   21.797   2.8357   23.518   2.6326 -1.720520 3.869368 
1 1 1   22   25   12 o   17.575   1.7565   37.210   7.1921   38.900   10.141   35.500   10.202   17.805   2.4792   16.954   2.6336 0.8508625 3.616956 
1 1 1   22   25   13 o   45.097   2.8409  247.861   30.098  270.500   42.554  225.200   42.576   46.483   3.9133   42.111   4.3440 4.372177 5.846723 
1 1 1   22   25   14 o   27.568   2.0774   91.664   13.424   84.100   19.003   99.200   18.967   26.043   3.1544   28.424   2.8648 -2.381748 4.261197 
1 1 1   22   25   15 o   54.270   3.2957  363.731   42.035  379.800   59.482  347.700   59.411   54.270   4.6876   51.688   4.9272 2.582287 6.800820 
1 1 1   22   25   16 o   17.251   1.9011   36.075   7.6154   47.900   10.628   23.600   10.917   19.796   2.3176   13.556   3.4127 6.239501 4.125243 
1 1 1   22   25   17 o   40.509   2.7404  200.900   26.060  264.000   36.796  137.400   36.913   46.028   3.4097   32.131   5.0301 13.89733 6.076877 
1 1 1   22   25   18 o   35.648   2.1904  153.927   18.349  220.000   26.084   89.200   25.817   42.423   2.6166   26.106   4.3402 16.31621 5.067964 
1 1 1   22   25   19 o   39.935   2.3635  194.074   22.189  251.900   31.638  138.100   31.128   45.127   2.9859   32.670   4.1270 12.45694 5.093888 
1 1 1   22   25   20 o   5.8882   2.1847   3.3000   4.0431   0.0000   0.0000   3.3000   4.0431  ?   ?    5.8882   2.1847 0.000000 2.184677 
1 1 1   22   25   21 o   9.8199   2.3851   12.200   5.4756   0.0000   0.0000   12.200   5.4756  ?   ?    9.8199   2.3851 0.000000 2.385083 
1 1 1   22   25   22 o   13.097   2.5681   21.700   7.6586   0.0000   0.0000   21.700   7.6586  ?   ?    13.097   2.5681 0.000000 2.568066 
1 1 1   22   25   23 o   10.205   2.6197   13.300   6.3451   0.0000   0.0000   13.300   6.3451  ?   ?    10.205   2.6197 0.000000 2.619742 
1 1 1   22   25   24 o   28.470   3.1391  102.800   20.753   0.0000   0.0000  102.800   20.753  ?   ?    28.470   3.1391 0.000000 3.139090 
1 1 1   22   25   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   26 o   15.254   2.8327   29.800   9.8277   0.0000   0.0000   29.800   9.8277  ?   ?    15.254   2.8327 0.000000 2.832714 
1 1 1   22   25   27 o   39.934   4.0940  213.300   38.060   0.0000   0.0000  213.300   38.060  ?   ?    39.934   4.0940 0.000000 4.094012 
1 1 1   22   25   28 o   17.266   2.8565   38.300   11.239   0.0000   0.0000   38.300   11.239  ?   ?    17.266   2.8565 0.000000 2.856529 
1 1 1   22   25   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   25   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26    0 o   22.101   2.8258   61.100   14.088   61.100   14.088   61.100   14.088   22.101   2.8258   22.101   2.8258 0.000000 0.000000 
1 1 1   22   26    1 o   12.004   1.6260   17.461   4.4906   12.600   6.2943   22.500   6.4086   10.039   2.6254   13.565   2.0659 -3.526585 3.340731 
1 1 1   22   26    2 f   52.721   3.1855  339.784   39.472  333.300   55.755  346.300   55.888   51.237   4.6591   52.300   4.5713 -1.062889 6.527175 
1 1 1   22   26    3 o   35.480   2.3863  151.944   19.876  149.800   28.068  154.100   28.150   34.815   3.4600   35.335   3.4163 -0.5199471 4.862398 
1 1 1   22   26    4 o   22.444   1.9095   60.586   10.024   70.400   14.151   50.700   14.202   24.051   2.5296   20.213   3.0722 3.837646 3.979590 
1 1 1   22   26    5 o   62.373   3.7036  480.992   54.304  517.300   76.807  444.700   76.789   63.365   5.1785   58.268   5.6520 5.096527 7.665631 
1 1 1   22   26    6 o   10.447   1.5500   13.263   3.7079   20.500   5.3556   6.6000   5.1386   12.990   1.7938   7.5553   2.4866 5.435031 3.066067 
1 1 1   22   26    7 o   37.945   2.4979  174.201   22.256  171.200   31.482  177.200   31.469   37.122   3.6382   37.808   3.5670 -0.6857147 5.095100 
1 1 1   22   26    8 o   26.316   2.0638   83.414   12.722  110.100   17.970   56.600   18.013   30.111   2.5513   21.132   3.7470 8.979105 4.533105 
1 1 1   22   26    9 o   10.075   1.7973   12.469   4.1192   16.600   5.7142   8.0000   5.9434   11.586   2.1683   8.2452   2.6722 3.340768 3.441263 
1 1 1   22   26   10 o   45.135   2.8509  248.126   30.229  262.600   42.712  233.600   42.788   45.781   3.9909   42.983   4.2722 2.797836 5.846258 
1 1 1   22   26   11 o   18.103   1.8155   39.524   7.6562   44.300   10.746   34.600   10.911   19.021   2.4494   16.657   2.8782 2.364473 3.779323 
1 1 1   22   26   12 o   52.638   3.2126  340.798   39.741  346.600   56.210  335.000   56.195   51.994   4.6265   51.034   4.7165 0.9605675 6.606837 
1 1 1   22   26   13 o   6.2584   1.6943   4.8312   2.5653   1.1000   3.3528   10.100   3.9841   4.7289   1.9205   9.0166   1.9295 -4.287783 2.722409 
1 1 1   22   26   14 o   24.494   1.9533   72.381   11.204   69.900   15.785   74.900   15.904   23.778   2.8693   24.657   2.7800 -0.8787441 3.995176 
1 1 1   22   26   15 o   20.953   1.9105   53.057   9.3488   59.000   13.106   46.900   13.340   21.906   2.5832   19.356   3.0169 2.550571 3.971774 
1 1 1   22   26   16 o   41.363   2.7029  209.462   26.255  235.400   37.121  183.500   37.138   43.227   3.6714   37.741   4.2405 5.485817 5.609030 
1 1 1   22   26   17 o   28.764   2.0226  100.054   13.651  134.800   19.403   66.000   19.208   33.216   2.4919   22.670   3.7171 10.54578 4.475110 
1 1 1   22   26   18 o   19.814   1.8469   47.525   8.5420   58.700   12.206   36.800   11.958   21.866   2.4037   17.027   3.0877 4.838850 3.913047 
1 1 1   22   26   19 o   31.853   3.3529  128.000   24.840   0.0000   0.0000  128.000   24.840  ?   ?    31.853   3.3529 0.000000 3.352875 
1 1 1   22   26   20 o  ?   ?  -11.9000   0.9189   0.0000   0.0000 -11.9000   0.9189  ?   ?   ?   ?  0.000000      ? 
1 1 1   22   26   21 o   12.918   2.5427   21.100   7.4801   0.0000   0.0000   21.100   7.4801  ?   ?    12.918   2.5427 0.000000 2.542738 
1 1 1   22   26   22 o   6.7765   2.2248   5.4000   4.1144   0.0000   0.0000   5.4000   4.1144  ?   ?    6.7765   2.2248 0.000000 2.224790 
1 1 1   22   26   23 o   13.407   2.5862   22.800   7.8909   0.0000   0.0000   22.800   7.8909  ?   ?    13.407   2.5862 0.000000 2.586229 
1 1 1   22   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   26 o   16.567   2.7049   34.900   10.216   0.0000   0.0000   34.900   10.216  ?   ?    16.567   2.7049 0.000000 2.704865 
1 1 1   22   26   27 o   20.077   2.8535   51.500   13.147   0.0000   0.0000   51.500   13.147  ?   ?    20.077   2.8535 0.000000 2.853465 
1 1 1   22   26   28 o   4.1919   1.8814  -1.6000   3.8692   0.0000   0.0000  -1.6000   3.8692  ?   ?    4.1919   1.8814 0.000000 1.881405 
1 1 1   22   26   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   26   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27    0 o   86.701   7.5382  987.500  151.647  987.500  151.647  987.500  151.647   86.701   7.5382   86.701   7.5382 0.000000 0.000000 
1 1 1   22   27    1 o   55.049   3.3493  372.180   43.330  395.900   61.240  348.400   61.318   55.767   4.6941   51.996   5.0581 3.771439 6.900620 
1 1 1   22   27    2 o   44.130   2.7245  236.368   28.252  271.000   40.002  201.900   39.907   46.771   3.6509   39.970   4.2956 6.801395 5.637522 
1 1 1   22   27    3 o   67.294   3.7534  560.997   59.407  642.900   84.249  480.000   83.781   70.706   5.0798   60.119   5.9810 10.58717 7.847122 
1 1 1   22   27    4 o   4.3513   1.5668   1.8876   2.0558   7.3000   2.7843  -4.6000   3.0483   7.6925   1.5855   3.0171   1.4520 4.675385 2.149912 
1 1 1   22   27    5 o   19.851   1.8040   47.401   8.3640   47.500   11.769   47.300   11.889   19.680   2.5959   19.629   2.6312 0.5163765E-01 3.696205 
1 1 1   22   27    6 o   30.181   2.0978  109.646   14.858   93.100   20.947  126.400   21.078   27.406   3.3034   32.184   2.8015 -4.778429 4.331330 
1 1 1   22   27    7 o   21.025   1.8406   53.191   9.0463   52.100   12.744   54.300   12.844   20.592   2.6847   21.040   2.6435 -0.4486732 3.767686 
1 1 1   22   27    8 o   12.513   1.7559   19.041   5.0455   17.500   7.2351   20.500   7.0397   11.803   2.6596   12.847   2.4089 -1.044413 3.588402 
1 1 1   22   27    9 o   34.718   2.3669  145.854   19.289  140.300   27.289  151.400   27.267   33.574   3.4932   34.962   3.3436 -1.387741 4.835502 
1 1 1   22   27   10 o   44.140   2.7996  237.735   29.029  244.200   41.429  231.500   40.687   43.991   4.0332   42.795   4.0755 1.195648 5.733741 
1 1 1   22   27   11 o   8.8408   1.6715   9.6295   3.3617   7.9000   4.6638   11.500   4.8501   8.0102   2.3273   9.5930   2.1894 -1.582860 3.195250 
1 1 1   22   27   12 o   7.8615   1.8250   7.6878   3.3228   10.300   4.5146   4.6000   4.9084   9.0774   2.1409   6.7066   2.4202 2.370774 3.231196 
1 1 1   22   27   13 o   62.610   3.8082  492.738   56.035  516.400   79.182  469.000   79.309   62.186   5.4472   58.825   5.7843 3.361374 7.945446 
1 1 1   22   27   14 o   30.492   2.3616  113.127   16.871  141.400   23.704   84.100   24.018   33.817   2.9996   25.482   4.1332 8.334517 5.106924 
1 1 1   22   27   15 o   30.388   2.2011  112.042   15.687  131.700   22.190   92.400   22.181   32.643   2.9092   26.991   3.5677 5.652540 4.603452 
1 1 1   22   27   16 o   10.615   1.7962   13.868   4.3418   16.500   5.9642   10.900   6.3330   11.488   2.2790   9.3372   2.7117 2.150842 3.542245 
1 1 1   22   27   17 o   9.1901   1.8872   10.509   3.9583   13.400   5.6909   7.8000   5.5093   10.308   2.3854   8.0516   2.5689 2.256092 3.505612 
1 1 1   22   27   18 o   31.972   3.3608  129.300   24.993   0.0000   0.0000  129.300   24.993  ?   ?    31.972   3.3608 0.000000 3.360754 
1 1 1   22   27   19 o   9.1999   2.3858   10.700   5.2267   0.0000   0.0000   10.700   5.2267  ?   ?    9.1999   2.3858 0.000000 2.385833 
1 1 1   22   27   20 o   9.4381   2.5547   11.300   5.8327   0.0000   0.0000   11.300   5.8327  ?   ?    9.4381   2.5547 0.000000 2.554684 
1 1 1   22   27   21 o   6.4204   2.2538   4.5000   4.2292   0.0000   0.0000   4.5000   4.2292  ?   ?    6.4204   2.2538 0.000000 2.253812 
1 1 1   22   27   22 o   5.6863   2.0865   3.2000   3.6702   0.0000   0.0000   3.2000   3.6702  ?   ?    5.6863   2.0865 0.000000 2.086488 
1 1 1   22   27   23 o   10.500   2.5806   14.100   6.3528   0.0000   0.0000   14.100   6.3528  ?   ?    10.500   2.5806 0.000000 2.580629 
1 1 1   22   27   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   25 o   15.529   2.7444   30.800   9.6952   0.0000   0.0000   30.800   9.6952  ?   ?    15.529   2.7444 0.000000 2.744353 
1 1 1   22   27   26 o   29.070   3.3516  109.900   22.585   0.0000   0.0000  109.900   22.585  ?   ?    29.070   3.3516 0.000000 3.351574 
1 1 1   22   27   27 f   8.7656   2.6608   9.8000   5.9903   0.0000   0.0000   9.8000   5.9903  ?   ?    8.7656   2.6608 0.000000 2.660786 
1 1 1   22   27   28 o   23.181   3.0345   70.500   16.212   0.0000   0.0000   70.500   16.212  ?   ?    23.181   3.0345 0.000000 3.034483 
1 1 1   22   27   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   27   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28    0 o   4.7223   2.5351   3.8000   3.8932   3.8000   3.8932   3.8000   3.8932   4.7223   2.5351   4.7223   2.5351 0.000000 0.000000 
1 1 1   22   28    1 o   12.352   1.6706   18.509   4.7476   17.800   6.5395   19.300   6.9037   11.955   2.3998   12.453   2.4350 -0.4975052 3.418836 
1 1 1   22   28    2 o   11.126   1.7227   15.104   4.3797   20.700   6.3095   9.9000   6.0844   12.975   2.1334   8.9785   2.6718 3.996911 3.419083 
1 1 1   22   28    3 o   15.932   1.7289   30.630   6.3998   32.200   9.1092   29.100   8.9934   16.169   2.4637   15.325   2.5766 0.8435335 3.564938 
1 1 1   22   28    4 o   31.410   2.2222  119.108   16.375  134.000   23.152  104.200   23.165   33.036   3.0006   28.912   3.4618 4.123129 4.581216 
1 1 1   22   28    5 o   17.945   1.7530   38.800   7.3334   36.200   10.275   41.500   10.469   17.113   2.6267   18.390   2.4737 -1.277000 3.608150 
1 1 1   22   28    6 o   25.641   1.9876   79.221   11.941   76.800   16.788   81.700   16.987   24.963   2.9022   25.779   2.8375 -0.8163414 4.058847 
1 1 1   22   28    7 o   43.684   2.7173  232.512   27.891  212.200   39.359  253.000   39.529   40.907   4.1312   44.955   3.7582 -4.048088 5.584847 
1 1 1   22   28    8 o   31.261   2.1932  118.117   16.088  114.100   22.658  122.200   22.846   30.325   3.2131   31.436   3.1188 -1.110699 4.477785 
1 1 1   22   28    9 o   36.638   2.4129  162.874   20.758  187.400   29.402  138.500   29.311   38.910   3.2292   33.106   3.8195 5.803497 5.001655 
1 1 1   22   28   10 o   17.188   1.7762   35.697   7.1051   38.500   9.9668   32.800   10.131   17.683   2.4530   16.213   2.7442 1.470028 3.680734 
1 1 1   22   28   11 o   21.179   1.8419   54.124   9.1198   42.100   12.883   66.200   12.911   18.287   3.0938   23.283   2.3819 -4.995642 3.904489 
1 1 1   22   28   12 o   12.606   1.7237   19.351   4.9965   20.900   6.9562   17.700   7.1815   12.955   2.3609   11.840   2.6364 1.115379 3.538946 
1 1 1   22   28   13 o   15.683   1.7818   29.830   6.4813   24.600   9.2376   34.900   9.0959   13.926   2.9032   16.827   2.3535 -2.901120 3.737329 
1 1 1   22   28   14 o   25.314   2.0149   77.591   11.945   92.200   16.897   63.000   16.887   27.373   2.6472   22.320   3.3039 5.053215 4.233602 
1 1 1   22   28   15 o   39.303   2.5595  189.082   23.625  216.100   33.484  162.300   33.337   41.443   3.4530   35.472   4.0528 5.971531 5.324309 
1 1 1   22   28   16 o   17.896   2.7253   40.100   11.153   0.0000   0.0000   40.100   11.153  ?   ?    17.896   2.7253 0.000000 2.725330 
1 1 1   22   28   17 o   39.053   3.8421  196.400   34.973   0.0000   0.0000  196.400   34.973  ?   ?    39.053   3.8421 0.000000 3.842109 
1 1 1   22   28   18 o   5.2323   2.0387   2.1000   3.6296   0.0000   0.0000   2.1000   3.6296  ?   ?    5.2323   2.0387 0.000000 2.038697 
1 1 1   22   28   19 o   2.5334   1.1926  -2.0000   1.8381   0.0000   0.0000  -2.0000   1.8381  ?   ?    2.5334   1.1926 0.000000 1.192594 
1 1 1   22   28   20 o   24.800   2.9970   77.600   17.195   0.0000   0.0000   77.600   17.195  ?   ?    24.800   2.9970 0.000000 2.996959 
1 1 1   22   28   21 o   6.4188   2.3403   4.2000   4.6069   0.0000   0.0000   4.2000   4.6069  ?   ?    6.4188   2.3403 0.000000 2.340293 
1 1 1   22   28   22 o   5.8685   2.1059   3.6000   3.7109   0.0000   0.0000   3.6000   3.7109  ?   ?    5.8685   2.1059 0.000000 2.105901 
1 1 1   22   28   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   25 o   16.109   2.8132   33.400   10.312   0.0000   0.0000   33.400   10.312  ?   ?    16.109   2.8132 0.000000 2.813206 
1 1 1   22   28   26 o   3.4808   1.5376  -0.7000   2.4813   0.0000   0.0000  -0.7000   2.4813  ?   ?    3.4808   1.5376 0.000000 1.537627 
1 1 1   22   28   27 o   17.139   2.7452   38.200   10.735   0.0000   0.0000   38.200   10.735  ?   ?    17.139   2.7452 0.000000 2.745164 
1 1 1   22   28   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   28   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29    0 o   55.642   4.9475  391.000   63.824  391.000   63.824  391.000   63.824   55.642   4.9475   55.642   4.9475 0.000000 0.000000 
1 1 1   22   29    1 o   25.701   2.0210   79.699   12.167   79.400   17.181   80.000   17.231   25.362   2.9224   25.460   2.9188 -0.9832954E-01 4.130353 
1 1 1   22   29    2 o   28.965   2.1352  101.350   14.502   99.700   20.508  103.000   20.508   28.373   3.1120   28.868   3.0550 -0.4941864 4.360898 
1 1 1   22   29    3 o   19.151   1.8207   44.250   8.1345   52.900   11.504   35.600   11.504   20.808   2.3843   16.838   3.0034 3.969248 3.834757 
1 1 1   22   29    4 o   51.242   3.1915  323.708   38.425  339.400   54.242  307.900   54.442   51.414   4.5135   48.707   4.7956 2.706585 6.585572 
1 1 1   22   29    5 o   33.479   2.3186  135.801   18.217  135.900   25.622  135.700   25.905   33.052   3.3282   33.006   3.3711 0.4606247E-01 4.737174 
1 1 1   22   29    6 o   43.605   2.7701  232.391   28.375  230.400   40.042  234.400   40.215   42.631   4.0253   43.016   4.0051 -0.3854256 5.678355 
1 1 1   22   29    7 o   9.9285   1.6864   12.094   3.8122   7.8000   5.2202   17.000   5.5804   8.0298   2.4924   11.725   2.0923 -3.694895 3.254198 
1 1 1   22   29    8 o   24.662   2.0131   73.524   11.621   83.300   16.373   63.600   16.496   26.027   2.7035   22.527   3.1903 3.500576 4.181770 
1 1 1   22   29    9 o   9.0798   1.7576   10.193   3.6322   10.700   4.9482   9.6000   5.3486   9.2340   2.2824   8.7755   2.4743 0.4585142 3.366218 
1 1 1   22   29   10 f   14.551   1.6705   25.637   5.6361   20.000   7.9271   31.400   8.0149   12.571   2.7471   15.998   2.1782 -3.426817 3.505878 
1 1 1   22   29   11 o   15.672   1.8172   29.822   6.6000   23.800   9.4743   35.500   9.1995   13.662   3.0174   16.970   2.3595 -3.308620 3.830387 
1 1 1   22   29   12 o   26.078   2.0175   82.329   12.327   87.000   17.670   77.900   17.205   26.487   2.8712   25.006   2.9719 1.480862 4.132319 
1 1 1   22   29   13 o   36.814   2.3853  165.235   20.624  135.200   29.041  195.800   29.296   32.462   3.8644   39.632   3.1566 -7.169598 4.989726 
1 1 1   22   29   14 o   28.835   2.1571  101.128   14.581   94.900   20.584  107.400   20.658   27.433   3.2401   29.317   3.0277 -1.883724 4.434537 
1 1 1   22   29   15 o   19.798   2.7446   49.000   12.486   0.0000   0.0000   49.000   12.486  ?   ?    19.798   2.7446 0.000000 2.744624 
1 1 1   22   29   16 o   16.670   2.6063   34.800   9.9232   0.0000   0.0000   34.800   9.9232  ?   ?    16.670   2.6063 0.000000 2.606311 
1 1 1   22   29   17 o   10.330   2.5971   13.600   6.3282   0.0000   0.0000   13.600   6.3282  ?   ?    10.330   2.5971 0.000000 2.597075 
1 1 1   22   29   18 o   13.571   2.5844   23.300   7.9795   0.0000   0.0000   23.300   7.9795  ?   ?    13.571   2.5844 0.000000 2.584385 
1 1 1   22   29   19 o   14.624   2.5981   27.000   8.6433   0.0000   0.0000   27.000   8.6433  ?   ?    14.624   2.5981 0.000000 2.598086 
1 1 1   22   29   20 f   15.483   2.6593   30.300   9.3726   0.0000   0.0000   30.300   9.3726  ?   ?    15.483   2.6593 0.000000 2.659321 
1 1 1   22   29   21 o   7.2217   2.2997   6.3000   4.4166   0.0000   0.0000   6.3000   4.4166  ?   ?    7.2217   2.2997 0.000000 2.299674 
1 1 1   22   29   22 o   11.201   2.7601   16.200   7.2534   0.0000   0.0000   16.200   7.2534  ?   ?    11.201   2.7601 0.000000 2.760127 
1 1 1   22   29   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   25 o   3.7315   1.7438  -3.5000   3.8085   0.0000   0.0000  -3.5000   3.8085  ?   ?    3.7315   1.7438 0.000000 1.743796 
1 1 1   22   29   26 o  ?   ?  -10.1000   1.0481   0.0000   0.0000 -10.1000   1.0481  ?   ?   ?   ?  0.000000      ? 
1 1 1   22   29   27 o   3.6924   1.6977  -2.3000   3.3954   0.0000   0.0000  -2.3000   3.3954  ?   ?    3.6924   1.6977 0.000000 1.697681 
1 1 1   22   29   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   29   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30    0 o  ?   ?   -2.8000   0.6892  -2.8000   0.6892  -2.8000   0.6892  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   22   30    1 o   41.876   2.7005  214.332   26.562  219.100   37.634  209.600   37.494   41.611   3.8747   40.634   3.9578 0.9765587 5.538723 
1 1 1   22   30    2 o   45.485   2.8695  253.852   30.662  255.500   43.338  252.200   43.387   44.733   4.1501   44.412   4.1866 0.3209877 5.894974 
1 1 1   22   30    3 f   2.8310   1.2175  -0.1238   1.4688  -1.9000   2.1254   1.5000   2.0322   2.8349   1.3174   4.1154   1.5445 -1.280480 2.030023 
1 1 1   22   30    4 o   27.063   2.0016   88.463   12.701   79.200   17.879   97.900   18.046   25.219   3.0653   28.210   2.7438 -2.990385 4.113914 
1 1 1   22   30    5 o   17.103   1.7403   35.348   6.9305   35.000   9.7758   35.700   9.8268   16.804   2.5431   16.979   2.5281 -0.1747608 3.585893 
1 1 1   22   30    6 o   24.325   1.9566   71.502   11.143   70.900   15.787   72.100   15.731   23.919   2.8512   24.138   2.8127 -0.2189960 4.005040 
1 1 1   22   30    7 o   38.068   2.5214  176.802   22.537  179.000   31.856  174.600   31.887   37.671   3.6259   37.165   3.6819 0.5058937 5.167551 
1 1 1   22   30    8 o   11.534   1.7707   16.287   4.6683   11.700   6.6668   20.700   6.5389   9.6614   2.7755   12.922   2.2231 -3.260818 3.556046 
1 1 1   22   30    9 f   37.541   2.4085  171.667   21.238  139.100   29.930  204.700   30.143   32.949   3.9240   40.564   3.1721 -7.615826 5.045804 
1 1 1   22   30   10 f   7.2181   1.8662   6.4907   3.2044   8.5000   4.3903   4.2000   4.6876   8.2434   2.2102   6.4700   2.3604 1.773335 3.233661 
1 1 1   22   30   11 o   11.870   1.9655   17.392   5.3163   5.2000   7.7554   28.200   7.3019   7.7536   2.9915   15.148   2.0976 -7.394674 3.653619 
1 1 1   22   30   12 f   31.194   2.2351  118.535   16.355  133.500   23.466  104.400   22.807   32.680   3.0771   28.673   3.4370 4.007233 4.613204 
1 1 1   22   30   13 o   17.662   2.7150   39.100   10.961   0.0000   0.0000   39.100   10.961  ?   ?    17.662   2.7150 0.000000 2.714982 
1 1 1   22   30   14 o   36.675   3.7044  172.600   31.641   0.0000   0.0000  172.600   31.641  ?   ?    36.675   3.7044 0.000000 3.704385 
1 1 1   22   30   15 o   23.266   2.9208   68.000   15.693   0.0000   0.0000   68.000   15.693  ?   ?    23.266   2.9208 0.000000 2.920823 
1 1 1   22   30   16 o   27.309   3.0444   93.900   19.298   0.0000   0.0000   93.900   19.298  ?   ?    27.309   3.0444 0.000000 3.044384 
1 1 1   22   30   17 o   22.166   2.8781   61.800   14.709   0.0000   0.0000   61.800   14.709  ?   ?    22.166   2.8781 0.000000 2.878055 
1 1 1   22   30   18 o   21.386   2.7793   57.400   13.704   0.0000   0.0000   57.400   13.704  ?   ?    21.386   2.7793 0.000000 2.779317 
1 1 1   22   30   19 o   10.722   2.5773   14.700   6.4446   0.0000   0.0000   14.700   6.4446  ?   ?    10.722   2.5773 0.000000 2.577312 
1 1 1   22   30   20 o   12.752   2.5603   20.700   7.4420   0.0000   0.0000   20.700   7.4420  ?   ?    12.752   2.5603 0.000000 2.560286 
1 1 1   22   30   21 o   19.123   2.7568   46.300   12.089   0.0000   0.0000   46.300   12.089  ?   ?    19.123   2.7568 0.000000 2.756818 
1 1 1   22   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   24 o   22.119   2.9912   63.700   15.222   0.0000   0.0000   63.700   15.222  ?   ?    22.119   2.9912 0.000000 2.991159 
1 1 1   22   30   25 o   12.540   2.7313   20.800   7.8585   0.0000   0.0000   20.800   7.8585  ?   ?    12.540   2.7313 0.000000 2.731294 
1 1 1   22   30   26 o   9.2270   2.7748   11.300   6.5368   0.0000   0.0000   11.300   6.5368  ?   ?    9.2270   2.7748 0.000000 2.774760 
1 1 1   22   30   27 o   9.5542   2.8409   12.400   6.8809   0.0000   0.0000   12.400   6.8809  ?   ?    9.5542   2.8409 0.000000 2.840922 
1 1 1   22   30   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   30   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31    0 o   17.978   2.7852   41.400   10.979   41.400   10.979   41.400   10.979   17.978   2.7852   17.978   2.7852 0.000000 0.000000 
1 1 1   22   31    1 o   27.684   2.0663   92.762   13.410   98.300   19.030   87.300   18.900   28.177   2.9016   26.460   3.0827 1.717478 4.233515 
1 1 1   22   31    2 o   11.338   1.7642   15.747   4.5697   23.700   6.4438   7.7000   6.4814   13.899   2.0226   8.2030   2.7942 5.696243 3.449404 
1 1 1   22   31    3 o   28.067   2.1009   95.439   13.823  103.800   19.561   87.100   19.535   28.955   2.8999   26.366   3.2035 2.588915 4.321151 
1 1 1   22   31    4 o   35.693   2.3903  155.139   20.030  173.400   28.374  137.000   28.280   37.273   3.2565   32.837   3.7124 4.436337 4.938266 
1 1 1   22   31    5 o   15.285   1.7797   28.367   6.3033   31.400   8.7535   25.100   9.0840   15.925   2.4025   14.082   2.8301 1.843291 3.712339 
1 1 1   22   31    6 o   42.472   2.7501  221.822   27.433  233.800   38.760  209.800   38.832   42.788   3.8784   40.311   4.1382 2.477066 5.671566 
1 1 1   22   31    7 o   25.289   2.0238   77.552   11.984   78.600   16.932   76.500   16.964   25.118   2.9085   24.753   2.9611 0.3647251 4.150591 
1 1 1   22   31    8 o   15.030   1.6942   27.397   5.9080   22.800   8.1836   32.400   8.5380   13.431   2.6743   16.196   2.2968 -2.765201 3.525160 
1 1 1   22   31    9 o   2.7050   1.1786  -0.2687   1.4130  -4.5000   2.3917   2.0000   1.7513   2.5057   1.2242   4.2620   1.4524 -1.756303 1.899529 
1 1 1   22   31   10 o   7.3309   1.7590   6.7059   3.0061   4.1000   4.1790   9.5000   4.3273   6.2537   2.2358   8.6947   2.1255 -2.441069 3.084879 
1 1 1   22   31   11 o   24.915   2.9972   77.900   17.279   0.0000   0.0000   77.900   17.279  ?   ?    24.915   2.9972 0.000000 2.997156 
1 1 1   22   31   12 o   19.124   2.7270   45.800   11.966   0.0000   0.0000   45.800   11.966  ?   ?    19.124   2.7270 0.000000 2.727042 
1 1 1   22   31   13 o   40.112   3.9429  208.700   36.864   0.0000   0.0000  208.700   36.864  ?   ?    40.112   3.9429 0.000000 3.942873 
1 1 1   22   31   14 o   18.785   2.7380   44.300   11.788   0.0000   0.0000   44.300   11.788  ?   ?    18.785   2.7380 0.000000 2.737974 
1 1 1   22   31   15 o   22.529   2.8886   63.800   15.013   0.0000   0.0000   63.800   15.013  ?   ?    22.529   2.8886 0.000000 2.888635 
1 1 1   22   31   16 o   11.944   2.6467   18.200   7.2685   0.0000   0.0000   18.200   7.2685  ?   ?    11.944   2.6467 0.000000 2.646735 
1 1 1   22   31   17 o   19.849   2.7686   49.600   12.623   0.0000   0.0000   49.600   12.623  ?   ?    19.849   2.7686 0.000000 2.768575 
1 1 1   22   31   18 o   8.0192   2.4040   8.0000   4.9125   0.0000   0.0000   8.0000   4.9125  ?   ?    8.0192   2.4040 0.000000 2.404044 
1 1 1   22   31   19 o   5.7020   2.1471   3.0000   3.9335   0.0000   0.0000   3.0000   3.9335  ?   ?    5.7020   2.1471 0.000000 2.147091 
1 1 1   22   31   20 o   9.4744   2.5550   11.500   5.8471   0.0000   0.0000   11.500   5.8471  ?   ?    9.4744   2.5550 0.000000 2.555023 
1 1 1   22   31   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   24 o   15.445   2.7000   31.300   9.4887   0.0000   0.0000   31.300   9.4887  ?   ?    15.445   2.7000 0.000000 2.699970 
1 1 1   22   31   25 o   5.2907   1.9699   2.8000   3.2929   0.0000   0.0000   2.8000   3.2929  ?   ?    5.2907   1.9699 0.000000 1.969887 
1 1 1   22   31   26 o   8.6702   2.6996  10.0000   6.1188   0.0000   0.0000  10.0000   6.1188  ?   ?    8.6702   2.6996 0.000000 2.699592 
1 1 1   22   31   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   31   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32    0 o   32.443   3.3592  131.700   25.103  131.700   25.103  131.700   25.103   32.443   3.3592   32.443   3.3592 0.000000 0.000000 
1 1 1   22   32    1 o   13.778   1.7835   23.144   5.6665   27.100   7.9226   19.000   8.1080   14.772   2.3499   12.196   2.8641 2.576171 3.704789 
1 1 1   22   32    2 o   9.9742   1.7960   12.292   4.0745   14.900   5.8911   9.9000   5.6414   10.877   2.3613   8.8946   2.5525 1.982816 3.477229 
1 1 1   22   32    3 o   21.368   1.8807   55.311   9.3928   53.700   13.329   56.900   13.238   20.743   2.7923   21.405   2.6775 -0.6629448 3.868611 
1 1 1   22   32    4 o   23.266   1.8908   65.527   10.298   59.400   14.368   72.000   14.768   21.801   2.8600   24.127   2.6351 -2.326206 3.888843 
1 1 1   22   32    5 o   26.125   2.0508   82.866   12.550   75.500   17.768   90.200   17.729   24.480   3.1465   26.941   2.8291 -2.460733 4.231360 
1 1 1   22   32    6 o   12.168   1.7114   18.090   4.7816   16.700   6.7379   19.500   6.7868   11.480   2.5516   12.466   2.3925 -0.9860544 3.497824 
1 1 1   22   32    7 o   25.929   2.0290   81.641   12.324   72.700   17.419   90.600   17.438   23.994   3.1506   27.009   2.7735 -3.014875 4.197427 
1 1 1   22   32    8 o   26.496   2.0315   85.270   12.614   73.300   17.780   97.400   17.897   24.055   3.2103   28.019   2.7401 -3.964771 4.220652 
1 1 1   22   32    9 o   8.1437   2.0321   8.3230   3.8950   3.7000   5.5853   12.700   5.4347   6.5975   2.5406   10.024   2.3388 -3.426241 3.453180 
1 1 1   22   32   10 o   33.838   3.5265  146.100   27.764   0.0000   0.0000  146.100   27.764  ?   ?    33.838   3.5265 0.000000 3.526489 
1 1 1   22   32   11 o   27.509   3.0888   95.300   19.717   0.0000   0.0000   95.300   19.717  ?   ?    27.509   3.0888 0.000000 3.088756 
1 1 1   22   32   12 o   9.3639   2.5914   11.100   5.9241   0.0000   0.0000   11.100   5.9241  ?   ?    9.3639   2.5914 0.000000 2.591362 
1 1 1   22   32   13 o   17.323   2.6836   37.700   10.622   0.0000   0.0000   37.700   10.622  ?   ?    17.323   2.6836 0.000000 2.683599 
1 1 1   22   32   14 o   17.929   2.7535   40.500   11.285   0.0000   0.0000   40.500   11.285  ?   ?    17.929   2.7535 0.000000 2.753524 
1 1 1   22   32   15 o  ?   ?  -12.1000   1.1199   0.0000   0.0000 -12.1000   1.1199  ?   ?   ?   ?  0.000000      ? 
1 1 1   22   32   16 o   5.0704   2.0313   1.6000   3.6954   0.0000   0.0000   1.6000   3.6954  ?   ?    5.0704   2.0313 0.000000 2.031282 
1 1 1   22   32   17 o   30.678   3.3352  120.700   23.772   0.0000   0.0000  120.700   23.772  ?   ?    30.678   3.3352 0.000000 3.335232 
1 1 1   22   32   18 o   14.437   2.6705   26.600   8.7690   0.0000   0.0000   26.600   8.7690  ?   ?    14.437   2.6705 0.000000 2.670541 
1 1 1   22   32   19 o   5.7455   2.1990   2.9000   4.1678   0.0000   0.0000   2.9000   4.1678  ?   ?    5.7455   2.1990 0.000000 2.198963 
1 1 1   22   32   20 o   28.838   3.2341  108.200   21.644   0.0000   0.0000  108.200   21.644  ?   ?    28.838   3.2341 0.000000 3.234094 
1 1 1   22   32   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32   23 o   6.8545   2.4973   5.2000   5.2443   0.0000   0.0000   5.2000   5.2443  ?   ?    6.8545   2.4973 0.000000 2.497280 
1 1 1   22   32   24 o   9.4398   2.8000   12.000   6.6902   0.0000   0.0000   12.000   6.6902  ?   ?    9.4398   2.8000 0.000000 2.799994 
1 1 1   22   32   25 o   6.8401   2.5077   5.3000   5.2999   0.0000   0.0000   5.3000   5.2999  ?   ?    6.8401   2.5077 0.000000 2.507667 
1 1 1   22   32   26 o   4.0447   1.8274  -1.6000   3.7201   0.0000   0.0000  -1.6000   3.7201  ?   ?    4.0447   1.8274 0.000000 1.827382 
1 1 1   22   32   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   32   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33    0 o   7.6867   3.1209   9.9000   5.5525   9.9000   5.5525   9.9000   5.5525   7.6867   3.1209   7.6867   3.1209 0.000000 0.000000 
1 1 1   22   33    1 o   39.995   2.6053  196.753   24.470  206.900   34.687  186.700   34.527   40.225   3.6930   38.033   3.8995 2.191704 5.370718 
1 1 1   22   33    2 o   15.556   1.7588   29.415   6.3470   26.100   8.8657   32.900   9.0907   14.364   2.7133   16.262   2.4429 -1.897798 3.650987 
1 1 1   22   33    3 o   23.927   1.9216   69.411   10.765   78.400   15.391   60.800   15.063   25.164   2.6290   21.982   2.9786 3.181763 3.972879 
1 1 1   22   33    4 o   26.633   2.0469   86.194   12.775   90.700   18.078   81.700   18.054   26.959   2.8846   25.487   3.0610 1.471779 4.206030 
1 1 1   22   33    5 o   25.922   2.0263   81.643   12.305   83.300   17.437   80.000   17.366   25.808   2.9121   25.259   2.9681 0.5484829 4.158155 
1 1 1   22   33    6 o   15.658   1.7510   29.800   6.3633   29.800   9.0479   29.800   8.9509   15.412   2.5771   15.422   2.5467 -0.1004410E-01 3.623120 
1 1 1   22   33    7 o   23.631   2.0266   67.952   11.199   61.400   16.030   74.200   15.653   21.986   3.1801   24.401   2.7654 -2.415470 4.214356 
1 1 1   22   33    8 o   30.751   3.2620  119.600   23.325   0.0000   0.0000  119.600   23.325  ?   ?    30.751   3.2620 0.000000 3.262013 
1 1 1   22   33    9 o   23.807   2.8756   71.000   15.839   0.0000   0.0000   71.000   15.839  ?   ?    23.807   2.8756 0.000000 2.875620 
1 1 1   22   33   10 o   47.406   4.6190  300.500   51.049   0.0000   0.0000  300.500   51.049  ?   ?    47.406   4.6190 0.000000 4.619029 
1 1 1   22   33   11 o   11.887   2.7625   18.100   7.6065   0.0000   0.0000   18.100   7.6065  ?   ?    11.887   2.7625 0.000000 2.762509 
1 1 1   22   33   12 o   21.875   2.8487   60.200   14.366   0.0000   0.0000   60.200   14.366  ?   ?    21.875   2.8487 0.000000 2.848684 
1 1 1   22   33   13 o   15.897   2.7825   32.100   10.064   0.0000   0.0000   32.100   10.064  ?   ?    15.897   2.7825 0.000000 2.782471 
1 1 1   22   33   14 o   30.480   3.3030  118.700   23.393   0.0000   0.0000  118.700   23.393  ?   ?    30.480   3.3030 0.000000 3.303034 
1 1 1   22   33   15 o   18.492   2.7832   43.300   11.776   0.0000   0.0000   43.300   11.776  ?   ?    18.492   2.7832 0.000000 2.783197 
1 1 1   22   33   16 o   29.198   3.2097  109.300   21.765   0.0000   0.0000  109.300   21.765  ?   ?    29.198   3.2097 0.000000 3.209668 
1 1 1   22   33   17 o   25.397   3.0797   82.800   18.092   0.0000   0.0000   82.800   18.092  ?   ?    25.397   3.0797 0.000000 3.079740 
1 1 1   22   33   18 o   30.152   3.3373  118.700   23.363   0.0000   0.0000  118.700   23.363  ?   ?    30.152   3.3373 0.000000 3.337260 
1 1 1   22   33   19 o   7.2890   2.4248   6.4000   4.8814   0.0000   0.0000   6.4000   4.8814  ?   ?    7.2890   2.4248 0.000000 2.424761 
1 1 1   22   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33   23 o   11.753   2.9280   19.000   8.0963   0.0000   0.0000   19.000   8.0963  ?   ?    11.753   2.9280 0.000000 2.928030 
1 1 1   22   33   24 o   10.941   2.7049   16.300   6.9485   0.0000   0.0000   16.300   6.9485  ?   ?    10.941   2.7049 0.000000 2.704873 
1 1 1   22   33   25 o   8.5386   2.6653   9.8000   5.9601   0.0000   0.0000   9.8000   5.9601  ?   ?    8.5386   2.6653 0.000000 2.665282 
1 1 1   22   33   26 o   6.1157   2.3611   3.7000   4.8335   0.0000   0.0000   3.7000   4.8335  ?   ?    6.1157   2.3611 0.000000 2.361055 
1 1 1   22   33   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   33   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   34    0 o   19.240   2.9006   47.500   12.293   47.500   12.293   47.500   12.293   19.240   2.9006   19.240   2.9006 0.000000 0.000000 
1 1 1   22   34    1 o   34.095   2.3436  142.165   18.754  128.300   26.489  156.100   26.556   31.647   3.6091   35.202   3.2307 -3.555424 4.843879 
1 1 1   22   34    2 o   31.832   2.2563  123.685   16.850  117.900   23.798  129.500   23.860   30.479   3.3626   32.063   3.1939 -1.583845 4.637716 
1 1 1   22   34    3 o   24.205   2.0184   71.248   11.431   53.600   16.212   88.700   16.122   20.373   3.4958   26.791   2.5802 -6.418409 4.344881 
1 1 1   22   34    4 o   29.135   2.1333  103.360   14.575   96.600   20.551  110.200   20.674   27.642   3.2082   29.666   2.9920 -2.024378 4.386858 
1 1 1   22   34    5 o   15.844   1.7593   30.521   6.4709   38.700   9.4849   23.400   8.8505   17.691   2.3270   13.529   2.8599 4.161932 3.686944 
1 1 1   22   34    6 f   29.790   3.2183  112.200   22.279   0.0000   0.0000  112.200   22.279  ?   ?    29.790   3.2183 0.000000 3.218267 
1 1 1   22   34    7 o   50.299   4.8687  343.100   57.103   0.0000   0.0000  343.100   57.103  ?   ?    50.299   4.8687 0.000000 4.868660 
1 1 1   22   34    8 o   26.958   3.0933   91.800   19.335   0.0000   0.0000   91.800   19.335  ?   ?    26.958   3.0933 0.000000 3.093330 
1 1 1   22   34    9 o   11.741   2.7802   17.700   7.5892   0.0000   0.0000   17.700   7.5892  ?   ?    11.741   2.7802 0.000000 2.780237 
1 1 1   22   34   10 o   31.656   3.3505  127.900   24.665   0.0000   0.0000  127.900   24.665  ?   ?    31.656   3.3505 0.000000 3.350461 
1 1 1   22   34   11 o   21.013   2.8400   55.700   13.731   0.0000   0.0000   55.700   13.731  ?   ?    21.013   2.8400 0.000000 2.840016 
1 1 1   22   34   12 o   29.268   3.2420  109.300   22.030   0.0000   0.0000  109.300   22.030  ?   ?    29.268   3.2420 0.000000 3.242013 
1 1 1   22   34   13 o   31.064   3.3742  124.200   24.353   0.0000   0.0000  124.200   24.353  ?   ?    31.064   3.3742 0.000000 3.374208 
1 1 1   22   34   14 o   20.065   2.8302   51.200   13.037   0.0000   0.0000   51.200   13.037  ?   ?    20.065   2.8302 0.000000 2.830168 
1 1 1   22   34   15 o   34.206   3.6249  153.900   28.833   0.0000   0.0000  153.900   28.833  ?   ?    34.206   3.6249 0.000000 3.624923 
1 1 1   22   34   16 o   23.288   2.9988   69.900   16.107   0.0000   0.0000   69.900   16.107  ?   ?    23.288   2.9988 0.000000 2.998767 
1 1 1   22   34   17 o   15.095   2.8747   29.800   9.8725   0.0000   0.0000   29.800   9.8725  ?   ?    15.095   2.8747 0.000000 2.874663 
1 1 1   22   34   18 o   14.296   2.7131   26.700   8.8238   0.0000   0.0000   26.700   8.8238  ?   ?    14.296   2.7131 0.000000 2.713112 
1 1 1   22   34   19 o   22.976   3.0437   69.900   16.107   0.0000   0.0000   69.900   16.107  ?   ?    22.976   3.0437 0.000000 3.043693 
1 1 1   22   34   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   34   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   34   22 o   17.731   2.8645   42.400   11.584   0.0000   0.0000   42.400   11.584  ?   ?    17.731   2.8645 0.000000 2.864517 
1 1 1   22   34   23 o   10.231   2.6030   14.200   6.3041   0.0000   0.0000   14.200   6.3041  ?   ?    10.231   2.6030 0.000000 2.603046 
1 1 1   22   34   24 o   6.6921   2.2947   5.5000   4.3719   0.0000   0.0000   5.5000   4.3719  ?   ?    6.6921   2.2947 0.000000 2.294732 
1 1 1   22   34   25 o   9.2954   2.8864   12.000   7.0004   0.0000   0.0000   12.000   7.0004  ?   ?    9.2954   2.8864 0.000000 2.886410 
1 1 1   22   34   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   34   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   35    0 o   40.441   3.9176  207.200   36.606  207.200   36.606  207.200   36.606   40.441   3.9176   40.441   3.9176 0.000000 0.000000 
1 1 1   22   35    1 o   18.678   1.8240   42.404   7.9419   43.700   11.212   41.100   11.251   18.694   2.6113   18.078   2.7197 0.6154900 3.770419 
1 1 1   22   35    2 o   22.620   1.9187   62.192   10.152   59.500   14.336   64.900   14.377   21.749   2.8610   22.790   2.7256 -1.040836 3.951468 
1 1 1   22   35    3 o   30.912   2.2847  117.039   16.559  111.600   23.615  122.300   23.224   29.516   3.4535   31.072   3.2116 -1.555775 4.716044 
1 1 1   22   35    4 o   19.626   2.6998   48.300   12.181   0.0000   0.0000   48.300   12.181  ?   ?    19.626   2.6998 0.000000 2.699767 
1 1 1   22   35    5 o   46.470   4.4993  289.200   48.753   0.0000   0.0000  289.200   48.753  ?   ?    46.470   4.4993 0.000000 4.499251 
1 1 1   22   35    6 o   6.5456   2.4676   4.0000   5.1987   0.0000   0.0000   4.0000   5.1987  ?   ?    6.5456   2.4676 0.000000 2.467617 
1 1 1   22   35    7 o   36.360   3.7011  171.200   31.334   0.0000   0.0000  171.200   31.334  ?   ?    36.360   3.7011 0.000000 3.701102 
1 1 1   22   35    8 o   32.348   3.4870  134.600   26.215   0.0000   0.0000  134.600   26.215  ?   ?    32.348   3.4870 0.000000 3.487015 
1 1 1   22   35    9 o   6.3198   2.4048   3.6000   4.9665   0.0000   0.0000   3.6000   4.9665  ?   ?    6.3198   2.4048 0.000000 2.404794 
1 1 1   22   35   10 o   12.558   2.8465   20.400   8.2460   0.0000   0.0000   20.400   8.2460  ?   ?    12.558   2.8465 0.000000 2.846525 
1 1 1   22   35   11 f   35.015   3.6715  160.600   29.905   0.0000   0.0000  160.600   29.905  ?   ?    35.015   3.6715 0.000000 3.671531 
1 1 1   22   35   12 o   19.546   2.8948   48.900   12.957   0.0000   0.0000   48.900   12.957  ?   ?    19.546   2.8948 0.000000 2.894809 
1 1 1   22   35   13 o   23.031   3.0184   68.300   16.021   0.0000   0.0000   68.300   16.021  ?   ?    23.031   3.0184 0.000000 3.018438 
1 1 1   22   35   14 o   4.3634   1.7603   1.1000   2.7965   0.0000   0.0000   1.1000   2.7965  ?   ?    4.3634   1.7603 0.000000 1.760314 
1 1 1   22   35   15 o   1.9698   0.9954  -7.5000   2.2364   0.0000   0.0000  -7.5000   2.2364  ?   ?    1.9698   0.9954 0.000000 0.9954497 
1 1 1   22   35   16 o   9.9885   2.5976   13.100   6.1843   0.0000   0.0000   13.100   6.1843  ?   ?    9.9885   2.5976 0.000000 2.597576 
1 1 1   22   35   17 f   2.6604   1.2991  -4.9000   2.6827   0.0000   0.0000  -4.9000   2.6827  ?   ?    2.6604   1.2991 0.000000 1.299124 
1 1 1   22   35   18 o   44.100   4.9940  304.100   51.088   0.0000   0.0000  304.100   51.088  ?   ?    44.100   4.9940 0.000000 4.993988 
1 1 1   22   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   35   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   35   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   35   22 o   18.128   2.9640   45.100   12.249   0.0000   0.0000   45.100   12.249  ?   ?    18.128   2.9640 0.000000 2.963984 
1 1 1   22   35   23 o   12.467   2.9922   21.900   8.6963   0.0000   0.0000   21.900   8.6963  ?   ?    12.467   2.9922 0.000000 2.992158 
1 1 1   22   35   24 o   7.1408   2.3692   6.5000   4.6615   0.0000   0.0000   6.5000   4.6615  ?   ?    7.1408   2.3692 0.000000 2.369219 
1 1 1   22   35   25 f   10.259   2.6107   14.500   6.3400   0.0000   0.0000   14.500   6.3400  ?   ?    10.259   2.6107 0.000000 2.610663 
1 1 1   22   35   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36    0 o  ?   ?  -16.6000   1.3640 -16.6000   1.3640 -16.6000   1.3640  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   22   36    1 o   6.3663   2.3066   4.2000   4.4651   0.0000   0.0000   4.2000   4.4651  ?   ?    6.3663   2.3066 0.000000 2.306605 
1 1 1   22   36    2 o   9.9815   2.4297   12.700   5.6729   0.0000   0.0000   12.700   5.6729  ?   ?    9.9815   2.4297 0.000000 2.429727 
1 1 1   22   36    3 f   22.394   2.8355   63.300   14.658   0.0000   0.0000   63.300   14.658  ?   ?    22.394   2.8355 0.000000 2.835478 
1 1 1   22   36    4 o   19.165   2.7834   46.500   12.228   0.0000   0.0000   46.500   12.228  ?   ?    19.165   2.7834 0.000000 2.783376 
1 1 1   22   36    5 o   14.247   2.8324   26.100   9.1935   0.0000   0.0000   26.100   9.1935  ?   ?    14.247   2.8324 0.000000 2.832392 
1 1 1   22   36    6 o   27.978   3.2134  100.400   20.844   0.0000   0.0000  100.400   20.844  ?   ?    27.978   3.2134 0.000000 3.213358 
1 1 1   22   36    7 o   27.873   3.2452  100.000   20.959   0.0000   0.0000  100.000   20.959  ?   ?    27.873   3.2452 0.000000 3.245234 
1 1 1   22   36    8 o   12.400   2.8610   20.000   8.2065   0.0000   0.0000   20.000   8.2065  ?   ?    12.400   2.8610 0.000000 2.860975 
1 1 1   22   36    9 o   32.195   3.4978  135.700   26.164   0.0000   0.0000  135.700   26.164  ?   ?    32.195   3.4978 0.000000 3.497790 
1 1 1   22   36   10 f   18.994   2.8733   46.400   12.485   0.0000   0.0000   46.400   12.485  ?   ?    18.994   2.8733 0.000000 2.873284 
1 1 1   22   36   11 o   22.647   2.9510   66.200   15.406   0.0000   0.0000   66.200   15.406  ?   ?    22.647   2.9510 0.000000 2.951034 
1 1 1   22   36   12 o   17.439   2.7615   39.300   10.993   0.0000   0.0000   39.300   10.993  ?   ?    17.439   2.7615 0.000000 2.761513 
1 1 1   22   36   13 o   10.125   2.7202   13.500   6.6423   0.0000   0.0000   13.500   6.6423  ?   ?    10.125   2.7202 0.000000 2.720249 
1 1 1   22   36   14 o   15.443   2.8681   31.500   10.074   0.0000   0.0000   31.500   10.074  ?   ?    15.443   2.8681 0.000000 2.868145 
1 1 1   22   36   15 o   23.733   3.0698   74.800   16.801   0.0000   0.0000   74.800   16.801  ?   ?    23.733   3.0698 0.000000 3.069797 
1 1 1   22   36   16 o   15.338   2.7970   31.300   9.7570   0.0000   0.0000   31.300   9.7570  ?   ?    15.338   2.7970 0.000000 2.797019 
1 1 1   22   36   17 o   29.910   3.5612  125.100   24.658   0.0000   0.0000  125.100   24.658  ?   ?    29.910   3.5612 0.000000 3.561194 
1 1 1   22   36   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   36   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37    2 o   18.555   2.7027   43.800   11.494   0.0000   0.0000   43.800   11.494  ?   ?    18.555   2.7027 0.000000 2.702699 
1 1 1   22   37    3 o   23.028   2.8760   67.700   15.298   0.0000   0.0000   67.700   15.298  ?   ?    23.028   2.8760 0.000000 2.875978 
1 1 1   22   37    4 o   8.4971   2.7088   9.0000   6.1266   0.0000   0.0000   9.0000   6.1266  ?   ?    8.4971   2.7088 0.000000 2.708811 
1 1 1   22   37    5 o   18.514   2.8542   44.100   12.077   0.0000   0.0000   44.100   12.077  ?   ?    18.514   2.8542 0.000000 2.854216 
1 1 1   22   37    6 o   9.0869   2.7032   10.600   6.2289   0.0000   0.0000   10.600   6.2289  ?   ?    9.0869   2.7032 0.000000 2.703207 
1 1 1   22   37    7 o   6.4224   2.4565   3.8000   5.1991   0.0000   0.0000   3.8000   5.1991  ?   ?    6.4224   2.4565 0.000000 2.456500 
1 1 1   22   37    8 o   12.843   2.8399   21.700   8.3839   0.0000   0.0000   21.700   8.3839  ?   ?    12.843   2.8399 0.000000 2.839901 
1 1 1   22   37    9 o   6.2727   2.4247   3.5000   5.1025   0.0000   0.0000   3.5000   5.1025  ?   ?    6.2727   2.4247 0.000000 2.424686 
1 1 1   22   37   10 o   10.483   2.8460   14.600   7.2261   0.0000   0.0000   14.600   7.2261  ?   ?    10.483   2.8460 0.000000 2.845951 
1 1 1   22   37   11 o   29.017   3.3296  112.700   22.401   0.0000   0.0000  112.700   22.401  ?   ?    29.017   3.3296 0.000000 3.329624 
1 1 1   22   37   12 o   16.147   2.7769   34.300   10.206   0.0000   0.0000   34.300   10.206  ?   ?    16.147   2.7769 0.000000 2.776901 
1 1 1   22   37   13 f   14.554   2.7992   28.200   9.2712   0.0000   0.0000   28.200   9.2712  ?   ?    14.554   2.7992 0.000000 2.799229 
1 1 1   22   37   14 o   2.1605   1.0732  -5.1000   2.1132   0.0000   0.0000  -5.1000   2.1132  ?   ?    2.1605   1.0732 0.000000 1.073182 
1 1 1   22   37   15 o   27.108   3.3333  101.200   20.888   0.0000   0.0000  101.200   20.888  ?   ?    27.108   3.3333 0.000000 3.333321 
1 1 1   22   37   16 o   18.499   2.9412   46.200   12.418   0.0000   0.0000   46.200   12.418  ?   ?    18.499   2.9412 0.000000 2.941245 
1 1 1   22   37   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   37   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38    5 o   17.503   2.8524   40.100   11.383   0.0000   0.0000   40.100   11.383  ?   ?    17.503   2.8524 0.000000 2.852363 
1 1 1   22   38    6 o   4.1315   1.8365  -1.1000   3.5940   0.0000   0.0000  -1.1000   3.5940  ?   ?    4.1315   1.8365 0.000000 1.836517 
1 1 1   22   38    7 o  ?   ?  -12.1000   1.1917   0.0000   0.0000 -12.1000   1.1917  ?   ?   ?   ?  0.000000      ? 
1 1 1   22   38    8 o   14.117   2.8863   26.600   9.2967   0.0000   0.0000   26.600   9.2967  ?   ?    14.117   2.8863 0.000000 2.886311 
1 1 1   22   38    9 o   21.401   3.0402   61.100   14.932   0.0000   0.0000   61.100   14.932  ?   ?    21.401   3.0402 0.000000 3.040176 
1 1 1   22   38   10 o   22.215   3.0606   66.100   15.629   0.0000   0.0000   66.100   15.629  ?   ?    22.215   3.0606 0.000000 3.060584 
1 1 1   22   38   11 o   18.993   2.9524   48.300   12.811   0.0000   0.0000   48.300   12.811  ?   ?    18.993   2.9524 0.000000 2.952416 
1 1 1   22   38   12 o   20.594   2.8893   56.600   13.664   0.0000   0.0000   56.600   13.664  ?   ?    20.594   2.8893 0.000000 2.889292 
1 1 1   22   38   13 o   7.0096   2.6065   5.4000   5.7612   0.0000   0.0000   5.4000   5.7612  ?   ?    7.0096   2.6065 0.000000 2.606469 
1 1 1   22   38   14 o   13.951   2.8713   26.500   9.1438   0.0000   0.0000   26.500   9.1438  ?   ?    13.951   2.8713 0.000000 2.871342 
1 1 1   22   38   15 o   8.8973   2.5372   10.600   5.5911   0.0000   0.0000   10.600   5.5911  ?   ?    8.8973   2.5372 0.000000 2.537208 
1 1 1   22   38   16 f   20.246   2.9838   56.000   13.837   0.0000   0.0000   56.000   13.837  ?   ?    20.246   2.9838 0.000000 2.983795 
1 1 1   22   38   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   38   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39    8 o   29.764   3.5241  123.300   24.288   0.0000   0.0000  123.300   24.288  ?   ?    29.764   3.5241 0.000000 3.524136 
1 1 1   22   39    9 o   4.7797   2.0278   0.5000   3.9762   0.0000   0.0000   0.5000   3.9762  ?   ?    4.7797   2.0278 0.000000 2.027772 
1 1 1   22   39   10 f   9.1383   2.7602   11.200   6.4582   0.0000   0.0000   11.200   6.4582  ?   ?    9.1383   2.7602 0.000000 2.760247 
1 1 1   22   39   11 o   7.9235   2.4159   8.2000   4.9304   0.0000   0.0000   8.2000   4.9304  ?   ?    7.9235   2.4159 0.000000 2.415896 
1 1 1   22   39   12 o   24.068   3.0893   79.100   17.152   0.0000   0.0000   79.100   17.152  ?   ?    24.068   3.0893 0.000000 3.089328 
1 1 1   22   39   13 o   9.1698   2.7517   11.400   6.4339   0.0000   0.0000   11.400   6.4339  ?   ?    9.1698   2.7517 0.000000 2.751746 
1 1 1   22   39   14 o   9.5150   2.7968   12.400   6.7006   0.0000   0.0000   12.400   6.7006  ?   ?    9.5150   2.7968 0.000000 2.796799 
1 1 1   22   39   15 o   11.774   2.7148   18.900   7.3937   0.0000   0.0000   18.900   7.3937  ?   ?    11.774   2.7148 0.000000 2.714824 
1 1 1   22   39   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   39   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   40   12 o   17.722   2.8829   42.600   11.650   0.0000   0.0000   42.600   11.650  ?   ?    17.722   2.8829 0.000000 2.882863 
1 1 1   22   40   13 o   9.4393   2.8322   12.200   6.8160   0.0000   0.0000   12.200   6.8160  ?   ?    9.4393   2.8322 0.000000 2.832222 
1 1 1   22   40   14 o   10.048   2.9376   14.100   7.4102   0.0000   0.0000   14.100   7.4102  ?   ?    10.048   2.9376 0.000000 2.937636 
1 1 1   22   40   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   41   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   22   42    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0    1 o   63.121   3.6386  478.840   53.822  478.840   53.822  478.840   53.822   63.121   3.6386   63.121   3.6386 0.000000 0.000000 
1 1 1   23    0    2 o   33.337   2.3264  133.548   18.109  133.548   18.109  133.548   18.109   33.337   2.3264   33.337   2.3264 0.000000 0.000000 
1 1 1   23    0    3 o   14.114   1.5359   24.377   4.9651   24.377   4.9651   24.377   4.9651   14.114   1.5359   14.114   1.5359 0.000000 0.000000 
1 1 1   23    0    4 o   92.672   5.2238  1040.62  113.482  1040.62  113.482  1040.62  113.482   92.672   5.2238   92.672   5.2238 0.000000 0.000000 
1 1 1   23    0    5 o   19.863   1.8042   47.816   8.3016   47.816   8.3016   47.816   8.3016   19.863   1.8042   19.863   1.8042 0.000000 0.000000 
1 1 1   23    0    6 o   28.262   2.1313   96.174   14.038   96.174   14.038   96.174   14.038   28.262   2.1313   28.262   2.1313 0.000000 0.000000 
1 1 1   23    0    7 o   45.198   2.8180  245.251   29.808  245.251   29.808  245.251   29.808   45.198   2.8180   45.198   2.8180 0.000000 0.000000 
1 1 1   23    0    8 o   14.636   1.7674   26.430   5.8719   26.430   5.8719   26.430   5.8719   14.636   1.7674   14.636   1.7674 0.000000 0.000000 
1 1 1   23    0    9 o   6.1788   2.3873   6.1666   3.3064   6.1666   3.3064   6.1666   3.3064   6.1788   2.3873   6.1788   2.3873 0.000000 0.000000 
1 1 1   23    0   10 o   3.3379   1.9498   1.5574   2.5581   1.5574   2.5581   1.5574   2.5581   3.3379   1.9498   3.3379   1.9498 0.000000 0.000000 
1 1 1   23    0   11 o   50.383   3.0201  304.964   35.635  304.964   35.635  304.964   35.635   50.383   3.0201   50.383   3.0201 0.000000 0.000000 
1 1 1   23    0   12 o   95.262   5.3138  1105.23  118.683  1105.23  118.683  1105.23  118.683   95.262   5.3138   95.262   5.3138 0.000000 0.000000 
1 1 1   23    0   13 o   27.857   1.9958   93.329   12.973   93.329   12.973   93.329   12.973   27.857   1.9958   27.857   1.9958 0.000000 0.000000 
1 1 1   23    0   14 o   4.6272   2.0612   3.6585   2.3876   3.6585   2.3876   3.6585   2.3876   4.6272   2.0612   4.6272   2.0612 0.000000 0.000000 
1 1 1   23    0   15 o   6.4421   2.2710   6.4560   3.1374   6.4560   3.1374   6.4560   3.1374   6.4421   2.2710   6.4421   2.2710 0.000000 0.000000 
1 1 1   23    0   16 o   18.807   1.8303   43.078   7.9516   43.078   7.9516   43.078   7.9516   18.807   1.8303   18.807   1.8303 0.000000 0.000000 
1 1 1   23    0   17 o   39.889   2.6197  191.745   24.432  191.745   24.432  191.745   24.432   39.889   2.6197   39.889   2.6197 0.000000 0.000000 
1 1 1   23    0   18 o   1.0173   0.7387  -2.0937   0.9856  -2.0937   0.9856  -2.0937   0.9856   1.0173   0.7387   1.0173   0.7387 0.000000 0.000000 
1 1 1   23    0   19 o   84.105   4.6874  867.521   92.431  867.521   92.431  867.521   92.431   84.105   4.6874   84.105   4.6874 0.000000 0.000000 
1 1 1   23    0   20 o   23.198   1.9353   65.189   10.432   65.189   10.432   65.189   10.432   23.198   1.9353   23.198   1.9353 0.000000 0.000000 
1 1 1   23    0   21 o   0.9050   0.6573  -1.6764   0.7838  -1.6764   0.7838  -1.6764   0.7838   0.9050   0.6573   0.9050   0.6573 0.000000 0.000000 
1 1 1   23    0   22 o   3.1326   1.7972   1.4737   2.1136   1.4737   2.1136   1.4737   2.1136   3.1326   1.7972   3.1326   1.7972 0.000000 0.000000 
1 1 1   23    0   23 o   41.967   2.4540  212.202   24.128  212.202   24.128  212.202   24.128   41.967   2.4540   41.967   2.4540 0.000000 0.000000 
1 1 1   23    0   24 o   3.8443   2.0305   2.5372   2.4625   2.5372   2.4625   2.5372   2.4625   3.8443   2.0305   3.8443   2.0305 0.000000 0.000000 
1 1 1   23    0   25 o   26.674   2.0609   86.141   12.803   86.141   12.803   86.141   12.803   26.674   2.0609   26.674   2.0609 0.000000 0.000000 
1 1 1   23    0   26 o   55.215   3.1714  370.319   41.038  370.319   41.038  370.319   41.038   55.215   3.1714   55.215   3.1714 0.000000 0.000000 
1 1 1   23    0   27 o   19.436   1.5013   45.590   6.7956   45.590   6.7956   45.590   6.7956   19.436   1.5013   19.436   1.5013 0.000000 0.000000 
1 1 1   23    0   28 o   16.176   3.1002   34.600   10.583   34.600   10.583   34.600   10.583   16.176   3.1002   16.176   3.1002 0.000000 0.000000 
1 1 1   23    0   29 o   49.762   4.6080  314.200   53.079  314.200   53.079  314.200   53.079   49.762   4.6080   49.762   4.6080 0.000000 0.000000 
1 1 1   23    0   30 o   31.774   3.4778  127.000   25.299  127.000   25.299  127.000   25.299   31.774   3.4778   31.774   3.4778 0.000000 0.000000 
1 1 1   23    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    0   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1    0 o   20.928   2.7761   54.600   13.045   54.600   13.045   54.600   13.045   20.928   2.7761   20.928   2.7761 0.000000 0.000000 
1 1 1   23    1    1 o   36.496   2.4078  159.054   20.634  168.400   29.175  149.700   29.187   37.369   3.3415   35.164   3.5643 2.205376 4.885727 
1 1 1   23    1    2 o  123.610   7.0363  1918.66  204.532  1982.00  289.228  1855.30  289.274  121.826   10.146  117.300   10.557 4.526512 14.64206 
1 1 1   23    1    3 o  113.973   6.3864  1615.23  171.185  1717.10  242.234  1513.60  241.950  114.720   9.0146  106.899   9.6902 7.820351 13.23496 
1 1 1   23    1    4 o  113.420   6.3879  1600.43  170.388  1522.90  240.853  1678.10  241.077  107.271   9.6103  113.264   9.0903 -5.993324 13.22839 
1 1 1   23    1    5 o   22.926   1.8984   62.760   10.185   61.100   14.449   64.400   14.359   22.473   2.7823   23.099   2.6824 -0.6262379 3.864805 
1 1 1   23    1    6 o   57.197   3.3078  392.981   44.485  418.600   63.122  367.700   62.703   58.581   4.6001   54.763   4.9007 3.817677 6.721433 
1 1 1   23    1    7 o  125.939   7.2008  2006.93  213.254  1946.80  301.528  2067.10  301.645  119.168   10.834  123.395   10.450 -4.227188 15.05258 
1 1 1   23    1    8 o   13.122   1.6886   20.742   5.1108   22.500   7.1453   18.900   7.3130   13.570   2.3129   12.369   2.5870 1.200733 3.470174 
1 1 1   23    1    9 o   69.977   3.9712  592.889   65.351  633.600   92.489  552.300   92.350   71.537   5.5178   66.519   5.9419 5.017731 8.108756 
1 1 1   23    1   10 o   74.018   4.1957  665.490   73.032  726.700  103.334  604.400  103.233   76.425   5.7684   69.268   6.3832 7.157677 8.603498 
1 1 1   23    1   11 o   40.802   2.6041  199.361   24.959  203.400   35.251  195.300   35.345   40.930   3.6868   40.073   3.7799 0.8575516 5.280145 
1 1 1   23    1   12 o   89.582   5.1433  990.411  108.342  1081.90  153.167  898.800  153.270   91.863   7.1165   82.915   7.9247 8.947845 10.65103 
1 1 1   23    1   13 o   48.636   2.9586  284.497   33.818  308.500   47.828  260.500   47.823   50.256   4.0651   45.997   4.4589 4.258450 6.033793 
1 1 1   23    1   14 o   27.830   2.0482   92.645   13.366   96.200   18.916   89.100   18.888   28.188   2.8824   27.088   3.0035 1.100357 4.162827 
1 1 1   23    1   15 o   39.069   2.4943  183.155   22.891  197.200   32.425  169.200   32.320   40.259   3.4439   37.173   3.7324 3.085796 5.078477 
1 1 1   23    1   16 o   50.134   3.0239  303.635   35.631  332.400   50.403  274.900   50.378   51.961   4.1424   47.000   4.5981 4.960407 6.188802 
1 1 1   23    1   17 f   55.965   3.2807  380.220   43.166  424.400   61.101  336.200   60.990   58.474   4.4587   51.643   5.0665 6.831097 6.749044 
1 1 1   23    1   18 o   44.759   2.7544  241.958   28.970  269.000   41.002  215.000   40.938   46.770   3.7440   41.550   4.2316 5.219891 5.650106 
1 1 1   23    1   19 f   46.466   3.0204  262.261   32.961  318.400   46.526  205.700   46.701   50.751   3.9125   40.128   5.0397 10.62304 6.380170 
1 1 1   23    1   20 o   12.775   1.6693   19.746   4.9154   22.100   6.9580   17.400   6.9448   13.403   2.2801   11.808   2.5641 1.594854 3.431311 
1 1 1   23    1   21 f   33.819   2.2450  137.708   17.826  166.400   25.251  109.200   25.170   36.953   2.9175   29.602   3.6802 7.351263 4.696334 
1 1 1   23    1   22 o   47.776   2.9280  278.010   32.873  310.200   46.518  245.900   46.461   49.841   3.9859   43.990   4.5379 5.850876 6.039850 
1 1 1   23    1   23 o   33.211   2.2574  133.097   17.598  153.000   24.921  113.300   24.855   35.330   3.0161   30.143   3.5607 5.187059 4.666390 
1 1 1   23    1   24 o   21.597   1.8282   56.109   9.2363   66.900   13.087   45.400   13.038   23.451   2.3970   19.102   2.9884 4.348991 3.830902 
1 1 1   23    1   25 o   30.424   2.0955  111.563   14.963  128.100   21.249   95.300   21.073   32.358   2.8089   27.691   3.2868 4.666559 4.323530 
1 1 1   23    1   26 o   26.833   1.9044   86.605   11.989  106.000   17.041   67.600   16.869   29.526   2.4668   23.305   3.1456 6.220255 3.997495 
1 1 1   23    1   27 o   40.755   2.1685  200.346   20.794  263.200   29.623  139.300   29.194   46.461   2.7119   33.227   3.7887 13.23396 4.659259 
1 1 1   23    1   28 o   20.152   2.6709   50.200   12.397   50.200   12.397   0.0000   0.0000   20.152   2.6709  ?   ?  0.000000 2.670910 
1 1 1   23    1   29 o   39.334   3.7986  196.800   34.843  196.800   34.843   0.0000   0.0000   39.334   3.7986  ?   ?  0.000000 3.798622 
1 1 1   23    1   30 o   4.0828   1.7819  -0.6000   3.2421  -0.6000   3.2421   0.0000   0.0000   4.0828   1.7819  ?   ?  0.000000 1.781906 
1 1 1   23    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    1   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2    0 o   55.316   4.7641  374.100   61.166  374.100   61.166  374.100   61.166   55.316   4.7641   55.316   4.7641 0.000000 0.000000 
1 1 1   23    2    1 o   51.406   3.0915  316.763   37.353  339.200   52.810  294.300   52.840   52.851   4.2679   49.090   4.6124 3.761368 6.284076 
1 1 1   23    2    2 o   67.322   3.8697  546.692   61.259  542.700   86.544  550.700   86.722   66.330   5.5772   66.837   5.5449 -0.5065994 7.864526 
1 1 1   23    2    3 o   92.680   5.2317  1051.56  114.029  1094.80  161.243  1008.30  161.278   92.945   7.4082   88.885   7.7618 4.059929 10.72971 
1 1 1   23    2    4 o   73.452   4.1756  652.877   72.125  639.500  101.912  666.300  102.088   71.734   6.0735   73.303   5.9491 -1.569359 8.501683 
1 1 1   23    2    5 o   75.750   4.3154  695.604   76.872  744.500  108.709  646.700  108.717   77.460   5.9898   71.872   6.4753 5.587791 8.820866 
1 1 1   23    2    6 o   26.196   2.0171   81.924   12.381   72.200   17.531   91.600   17.488   24.385   3.1158   27.591   2.7195 -3.206425 4.135680 
1 1 1   23    2    7 o   91.858   5.2462  1035.93  113.323  1068.30  160.062  1003.40  160.464   91.525   7.4712   88.429   7.7632 3.096016 10.77437 
1 1 1   23    2    8 o   61.257   3.5835  452.368   51.610  472.500   72.954  432.200   73.020   62.003   5.0260   59.163   5.2823 2.840397 7.291339 
1 1 1   23    2    9 o   79.027   4.5020  760.956   83.666  768.100  118.272  753.800  118.369   78.135   6.4685   77.346   6.5423 0.7886124 9.200164 
1 1 1   23    2   10 o   14.963   1.7108   26.890   5.9360   29.100   8.3219   24.600   8.4697   15.465   2.3531   14.141   2.6333 1.323690 3.531496 
1 1 1   23    2   11 o   62.499   3.6319  471.944   53.370  508.400   75.482  435.500   75.470   64.227   5.0168   59.186   5.4616 5.040676 7.416001 
1 1 1   23    2   12 o   33.881   2.3006  137.305   18.297  133.200   25.893  141.400   25.859   33.128   3.3564   34.172   3.2436 -1.043903 4.667549 
1 1 1   23    2   13 o   9.2917   1.6717   10.553   3.5331   11.000   4.9801   10.100   5.0131   9.4238   2.2658   9.0377   2.3331 0.3860807 3.252250 
1 1 1   23    2   14 o   39.346   2.5255  185.692   23.341  183.300   32.956  188.100   33.063   38.767   3.6428   39.288   3.6040 -0.5214462 5.124347 
1 1 1   23    2   15 o   70.027   3.9107  598.384   64.409  694.400   91.191  502.800   90.986   74.536   5.2140   62.629   6.2352 11.90678 8.127983 
1 1 1   23    2   16 o   28.079   1.9477   94.295   12.834  118.700   18.228   70.300   18.074   31.405   2.4781   23.915   3.2874 7.489704 4.116834 
1 1 1   23    2   17 o   26.378   1.9572   83.331   12.104   92.900   17.180   73.900   17.057   27.701   2.6591   24.590   2.9996 3.110947 4.008574 
1 1 1   23    2   18 o   15.632   1.7085   29.405   6.2038   29.000   8.8343   29.800   8.7141   15.356   2.5241   15.588   2.4480 -0.2324734 3.516233 
1 1 1   23    2   19 f   37.317   2.4512  167.797   21.479  170.400   30.392  165.200   30.361   37.224   3.4986   36.623   3.5555 0.6005669 4.988216 
1 1 1   23    2   20 o   23.897   2.0636   68.745   11.531   94.100   16.229   42.900   16.385   27.877   2.4918   18.344   3.9026 9.532715 4.630270 
1 1 1   23    2   21 o   44.513   2.7751  240.381   29.024  272.200   41.059  208.600   41.034   46.879   3.7403   40.672   4.3395 6.206516 5.728971 
1 1 1   23    2   22 o   21.637   1.8350   56.273   9.2872   61.200   13.170   51.400   13.099   22.398   2.5347   20.432   2.7877 1.966200 3.767742 
1 1 1   23    2   23 o   63.585   3.4755  498.573   51.986  602.900   73.707  395.300   73.334   68.910   4.5553   54.599   5.7756 14.31094 7.355876 
1 1 1   23    2   24 o   37.759   2.3775  172.362   21.090  207.700   29.906  137.400   29.746   41.137   3.1014   33.046   3.8862 8.091858 4.972099 
1 1 1   23    2   25 o   54.387   3.1752  363.419   40.600  410.300   57.529  316.900   57.307   56.882   4.3152   49.396   4.9810 7.485683 6.590231 
1 1 1   23    2   26 o   20.459   1.7519   50.356   8.3819   57.300   11.936   43.600   11.773   21.677   2.3705   18.770   2.7367 2.907089 3.620628 
1 1 1   23    2   27 o   38.976   1.7240  181.502   15.867  273.000   22.741   94.700   22.149   47.696   2.0191   27.468   3.4939 20.22816 4.035366 
1 1 1   23    2   28 o   30.041   1.7590  108.341   12.423  145.100   17.783   73.300   17.363   34.634   2.1856   24.242   3.1044 10.39196 3.796636 
1 1 1   23    2   29 f   43.254   4.1105  240.600   41.479  240.600   41.479   0.0000   0.0000   43.254   4.1105  ?   ?  0.000000 4.110505 
1 1 1   23    2   30 o   21.605   2.7405   58.100   13.667   58.100   13.667   0.0000   0.0000   21.605   2.7405  ?   ?  0.000000 2.740480 
1 1 1   23    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    2   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3    0 o  127.374   10.567  2082.70  312.807  2082.70  312.807  2082.70  312.807  127.374   10.567  127.374   10.567 0.000000 0.000000 
1 1 1   23    3    1 o  115.608   6.5538  1666.16  178.178  1674.90  251.805  1657.40  252.160  112.646   9.5566  111.962   9.6315 0.6840897 13.56813 
1 1 1   23    3    2 o   11.421   1.6779   15.780   4.3900   18.400   6.1734   13.100   6.2440   12.261   2.2136   10.291   2.5755 1.970043 3.396083 
1 1 1   23    3    3 o   32.913   2.2241  129.270   17.185  114.700   24.277  143.900   24.328   30.768   3.3982   34.590   3.0085 -3.821434 4.538583 
1 1 1   23    3    4 o  112.419   6.0734  1565.59  160.627  1375.20  226.827  1757.10  227.498  101.930   9.5346  116.789   8.3033 -14.85834 12.64334 
1 1 1   23    3    5 f   41.441   2.6140  205.337   25.449  210.900   36.033  199.800   35.947   41.745   3.6936   40.595   3.7939 1.149147 5.294924 
1 1 1   23    3    6 o   42.452   2.6770  215.613   26.698  238.900   37.745  192.300   37.767   44.458   3.6270   39.728   4.0840 4.730576 5.462040 
1 1 1   23    3    7 o   51.254   3.0178  315.036   36.363  283.500   51.372  346.700   51.477   48.125   4.5757   53.433   4.1114 -5.308033 6.151424 
1 1 1   23    3    8 o   27.371   2.0461   89.457   13.129   93.200   18.550   85.700   18.584   27.794   2.8676   26.610   3.0105 1.183657 4.157669 
1 1 1   23    3    9 o   28.056   2.0659   94.003   13.590   95.200   19.198   92.800   19.241   28.074   2.9395   27.703   2.9886 0.3708248 4.192002 
1 1 1   23    3   10 o   76.419   4.3567  711.089   78.292  689.000  110.695  733.200  110.749   73.939   6.4033   76.444   6.1884 -2.505203 8.904946 
1 1 1   23    3   11 o   34.726   2.3047  144.162   18.791  162.700   26.602  125.700   26.548   36.726   3.0963   32.132   3.5587 4.594707 4.717156 
1 1 1   23    3   12 o   29.595   2.1426  104.721   14.872  111.300   20.999   98.100   21.065   30.346   2.9685   28.418   3.1945 1.927578 4.360766 
1 1 1   23    3   13 o   47.095   2.8712  266.629   31.778  258.700   44.882  274.600   45.001   45.931   4.1840   47.381   4.0613 -1.449986 5.830964 
1 1 1   23    3   14 o   46.745   2.8770  262.956   31.603  280.900   44.686  245.000   44.700   47.913   3.9858   44.598   4.2977 3.314926 5.861445 
1 1 1   23    3   15 o   33.644   2.2138  135.535   17.489  163.700   24.784  107.600   24.683   36.822   2.8731   29.600   3.6059 7.222549 4.610547 
1 1 1   23    3   16 o   50.788   3.0654  311.889   36.591  306.900   51.692  316.900   51.803   49.743   4.4477   50.588   4.3798 -0.8453484 6.242172 
1 1 1   23    3   17 o   28.784   2.1015   99.355   14.185  104.500   20.051   94.200   20.069   29.314   2.9362   27.766   3.1146 1.547798 4.280419 
1 1 1   23    3   18 o   38.265   2.5004  176.403   22.469  192.900   31.773  159.900   31.779   39.685   3.4241   35.953   3.8008 3.731785 5.115692 
1 1 1   23    3   19 o   6.0995   1.6329   4.5770   2.3986   2.4000   3.4136   6.7000   3.3711   5.2820   1.9976   7.3611   1.9195 -2.079125 2.770364 
1 1 1   23    3   20 o   49.861   2.8274  301.270   33.153  365.800   47.007  237.400   46.766   54.489   3.6748   43.297   4.6468 11.19208 5.924262 
1 1 1   23    3   21 f   52.965   3.1934  342.927   39.753  357.200   56.264  328.700   56.174   53.167   4.5246   50.833   4.7343 2.334064 6.548712 
1 1 1   23    3   22 o   4.4878   1.5076   2.2424   1.8866   1.4000   2.8494   2.9000   2.5175   4.5600   1.7975   5.1268   1.7414 -0.5668473 2.502724 
1 1 1   23    3   23 o   36.285   2.3914  159.165   20.376  178.800   28.841  139.600   28.790   38.109   3.2355   33.424   3.7103 4.685101 4.922856 
1 1 1   23    3   24 o   47.687   2.8096  276.954   31.499  339.500   44.634  214.900   44.458   52.290   3.6374   40.880   4.6904 11.40990 5.935559 
1 1 1   23    3   25 o   31.547   2.1684  120.104   16.055  134.300   22.783  106.100   22.629   33.074   2.9480   29.207   3.3412 3.866999 4.455795 
1 1 1   23    3   26 o   43.865   2.6532  234.115   27.353  276.600   38.744  191.900   38.621   47.188   3.5020   38.779   4.2894 8.408829 5.537444 
1 1 1   23    3   27 o   8.7943   1.6884   9.5382   3.3788   11.100   4.7965   8.0000   4.7603   9.4213   2.1965   8.0620   2.3538 1.359301 3.219496 
1 1 1   23    3   28 o   50.088   3.0943  309.673   36.420  349.300   51.523  270.100   51.487   52.267   4.2103   45.333   4.8870 6.933506 6.450508 
1 1 1   23    3   29 o   24.566   2.8716   75.000   16.344   75.000   16.344   0.0000   0.0000   24.566   2.8716  ?   ?  0.000000 2.871603 
1 1 1   23    3   30 o   29.570   3.2624  110.200   22.401  110.200   22.401   0.0000   0.0000   29.570   3.2624  ?   ?  0.000000 3.262392 
1 1 1   23    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    3   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4    0 o   63.505   5.3450  494.400   78.845  494.400   78.845  494.400   78.845   63.505   5.3450   63.505   5.3450 0.000000 0.000000 
1 1 1   23    4    1 o   56.117   3.0711  377.268   40.542  448.500   57.449  306.600   57.221   60.898   4.0176   49.994   4.9104 10.90440 6.344515 
1 1 1   23    4    2 o   14.730   1.6446   26.021   5.6226   20.100   7.9320   32.000   7.9714   12.751   2.7175   16.282   2.1239 -3.530975 3.449040 
1 1 1   23    4    3 o   51.539   3.0909  318.506   37.444  322.300   52.911  314.700   52.996   51.448   4.3975   50.812   4.4621 0.6365280 6.264842 
1 1 1   23    4    4 o   31.342   2.1799  117.239   16.033  122.700   22.697  111.800   22.650   31.907   3.0496   30.411   3.2022 1.495853 4.422016 
1 1 1   23    4    5 o   57.976   3.3452  403.935   45.603  422.100   64.789  386.100   64.198   58.774   4.7078   56.120   4.8934 2.653736 6.790311 
1 1 1   23    4    6 o   45.349   2.7981  246.253   29.817  259.000   42.163  233.500   42.173   46.214   3.9001   43.794   4.1267 2.419865 5.678057 
1 1 1   23    4    7 o   70.616   3.9385  603.079   65.414  559.200   92.330  647.300   92.690   67.014   5.8946   72.391   5.4626 -5.376045 8.036516 
1 1 1   23    4    8 o  102.063   5.6853  1289.67  136.477  1210.50  192.793  1369.20  193.222   96.090   8.5872  102.872   8.0175 -6.782074 11.74817 
1 1 1   23    4    9 o   55.832   3.3103  375.161   43.448  411.100   61.436  339.200   61.454   57.990   4.5222   52.431   5.0253 5.559528 6.760477 
1 1 1   23    4   10 o   62.870   3.6527  477.541   53.993  524.000   76.365  431.100   76.351   65.236   4.9952   58.848   5.5603 6.388508 7.474580 
1 1 1   23    4   11 o   97.792   5.5652  1187.24  127.982  1238.20  181.013  1136.30  180.975   97.476   7.9329   92.911   8.3376 4.565628 11.50851 
1 1 1   23    4   12 f   30.164   2.1274  108.768   15.056  104.300   21.217  113.300   21.368   29.328   3.1112   30.609   2.9947 -1.280546 4.318285 
1 1 1   23    4   13 o   53.012   3.1619  338.932   39.401  332.900   55.639  345.000   55.804   51.944   4.5831   52.922   4.5084 -0.9779701 6.428881 
1 1 1   23    4   14 o   51.299   3.1058  317.565   37.446  339.200   52.937  295.900   52.975   52.513   4.3070   48.864   4.6471 3.649303 6.336039 
1 1 1   23    4   15 f   48.435   2.8917  282.726   32.923  339.100   46.590  226.500   46.529   52.700   3.7688   42.613   4.7024 10.08705 6.026313 
1 1 1   23    4   16 o   15.800   1.7004   30.000   6.2441   30.000   8.7851   30.000   8.8765   15.654   2.4575   15.648   2.4853 0.6087303E-02 3.495185 
1 1 1   23    4   17 o   41.076   2.6183  203.300   25.264  212.400   35.729  194.200   35.729   41.591   3.6758   39.677   3.8624 1.914135 5.331972 
1 1 1   23    4   18 o   21.233   1.8387   54.091   9.1279   57.400   12.926   50.800   12.892   21.718   2.5704   20.368   2.7507 1.349609 3.764728 
1 1 1   23    4   19 o   56.161   3.1387  383.610   41.458  468.500   58.748  299.400   58.512   61.485   4.0693   48.363   5.2055 13.12181 6.607337 
1 1 1   23    4   20 o   14.111   1.6625   24.021   5.4333   28.800   7.7076   19.300   7.6604   15.363   2.1863   12.423   2.6892 2.939486 3.465803 
1 1 1   23    4   21 o   33.835   2.4856  138.517   19.720  171.200   27.776  105.300   28.002   37.360   3.1787   28.794   4.2457 8.565531 5.303762 
1 1 1   23    4   22 o   35.296   2.2469  150.142   18.630  184.700   26.407  115.900   26.287   38.913   2.8946   30.436   3.7360 8.477650 4.726107 
1 1 1   23    4   23 o   16.797   1.6565   33.945   6.4847   43.900   9.2439   24.300   9.0993   19.029   2.0917   13.910   2.8657 5.119481 3.547867 
1 1 1   23    4   24 o   11.933   1.5221   17.220   4.1913   24.500   6.0039   10.300   5.8537   14.207   1.8324   9.1130   2.5952 5.093566 3.176923 
1 1 1   23    4   25 o   20.596   1.7338   50.994   8.3538   61.900   11.873   40.300   11.756   22.576   2.2573   17.999   2.8618 4.576941 3.644937 
1 1 1   23    4   26 o   18.303   1.7394   40.363   7.4272   41.900   10.636   38.900   10.377   18.459   2.5047   17.763   2.5468 0.6963158 3.572055 
1 1 1   23    4   27 o   31.579   2.2610  120.746   16.749  144.800   23.664   96.600   23.709   34.309   2.9496   27.632   3.7288 6.676785 4.754353 
1 1 1   23    4   28 o   10.629   1.6880   13.828   4.0952   14.800   5.8596   12.900   5.7258   10.864   2.3523   10.125   2.4266 0.7390852 3.379598 
1 1 1   23    4   29 o   35.716   2.1354  154.518   17.927  183.900   25.613  126.300   25.100   38.618   2.8284   31.656   3.4117 6.961300 4.431691 
1 1 1   23    4   30 o   15.398   2.9716   30.200   10.414   30.200   10.414   0.0000   0.0000   15.398   2.9716  ?   ?  0.000000 2.971563 
1 1 1   23    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    4   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5    0 o   67.755   5.6601  563.900   89.103  563.900   89.103  563.900   89.103   67.755   5.6601   67.755   5.6601 0.000000 0.000000 
1 1 1   23    5    1 o   22.806   1.8691   62.087   9.9773   67.000   14.128   57.200   14.092   23.586   2.5787   21.727   2.8128 1.859047 3.815949 
1 1 1   23    5    2 o   27.718   2.0244   91.662   13.159  102.100   18.643   81.300   18.576   29.142   2.7414   25.905   3.0981 3.237036 4.136795 
1 1 1   23    5    3 f   59.044   3.4542  419.299   47.951  418.300   67.790  420.300   67.835   58.412   4.9617   58.557   4.9523 -0.1444588 7.010261 
1 1 1   23    5    4 o   69.830   3.8955  588.870   63.979  495.800   90.417  682.200   90.543   63.003   6.1562   74.557   5.1749 -11.55417 8.042257 
1 1 1   23    5    5 o   86.053   4.8838  904.716   98.832  867.700  139.799  941.700  139.740   82.640   7.2368   86.378   6.9089 -3.737495 10.00520 
1 1 1   23    5    6 o   76.362   4.3175  708.066   77.533  636.700  109.622  779.500  109.675   71.096   6.6052   79.200   5.9069 -8.103470 8.861105 
1 1 1   23    5    7 o   68.303   3.8933  564.244   62.534  527.600   88.370  601.000   88.504   65.101   5.8095   69.739   5.4168 -4.638496 7.943081 
1 1 1   23    5    8 o   21.118   1.8346   53.301   9.0574   54.400   12.801   52.200   12.818   21.206   2.6115   20.753   2.6779 0.4528275 3.740470 
1 1 1   23    5    9 f   55.047   3.2708  364.656   42.325  368.900   59.814  360.400   59.899   54.841   4.6632   54.172   4.7300 0.6686172 6.642128 
1 1 1   23    5   10 o   41.134   2.6306  202.676   25.418  216.200   35.912  189.100   35.980   42.221   3.6376   39.380   3.9214 2.841064 5.348796 
1 1 1   23    5   11 o   33.160   2.2682  131.496   17.654  145.600   24.970  117.400   24.963   34.722   3.0773   31.053   3.4634 3.669388 4.633007 
1 1 1   23    5   12 o   33.859   2.3042  137.210   18.313  141.800   25.871  132.600   25.926   34.201   3.2421   33.028   3.3714 1.173130 4.677348 
1 1 1   23    5   13 o   20.820   1.8055   51.868   8.7885   61.100   12.450   42.700   12.408   22.510   2.3783   18.661   2.9108 3.849379 3.758835 
1 1 1   23    5   14 o   56.254   3.3075  382.909   43.742  419.500   61.896  346.400   61.826   58.283   4.5330   52.662   5.0331 5.621216 6.773449 
1 1 1   23    5   15 o   55.246   3.2980  369.903   42.828  406.800   60.565  333.000   60.570   57.316   4.5114   51.526   5.0427 5.789646 6.766211 
1 1 1   23    5   16 o   40.268   2.5488  195.010   24.111  218.100   34.127  172.000   34.068   42.283   3.4480   37.337   3.9227 4.945747 5.222672 
1 1 1   23    5   17 o   28.163   2.0902   95.166   13.801  100.500   19.489   89.800   19.547   28.736   2.9123   27.090   3.1123 1.646492 4.262346 
1 1 1   23    5   18 o   40.059   2.4978  193.327   23.510  232.000   33.302  154.900   33.196   43.604   3.2578   35.252   4.0621 8.351521 5.207115 
1 1 1   23    5   19 o   31.000   2.2031  115.565   16.022  121.600   22.631  109.500   22.687   31.537   3.0782   29.845   3.2728 1.691633 4.492968 
1 1 1   23    5   20 o   25.085   1.9665   75.599   11.555   75.900   16.355   75.300   16.328   24.908   2.8310   24.806   2.8385 0.1018257 4.008976 
1 1 1   23    5   21 o   16.738   1.7039   33.721   6.6406   40.700   9.4111   26.800   9.3716   18.294   2.2243   14.652   2.8110 3.642297 3.584570 
1 1 1   23    5   22 o   7.7473   1.6663   7.4235   2.9579   9.4000   4.2118   5.5000   4.1549   8.6886   2.0804   6.8762   2.2346 1.812394 3.053141 
1 1 1   23    5   23 o   13.626   1.6801   22.461   5.2912   22.000   7.5722   22.900   7.3966   13.301   2.5028   13.603   2.3898 -0.3027143 3.460543 
1 1 1   23    5   24 o   14.574   1.6427   25.634   5.5547   29.300   7.9290   22.100   7.7841   15.464   2.2364   13.312   2.5693 2.151576 3.406315 
1 1 1   23    5   25 o   11.781   1.3868   16.728   3.7841   25.600   5.5851   9.2000   5.1449   14.560   1.6538   8.6133   2.4261 5.946268 2.936187 
1 1 1   23    5   26 o   6.9369   1.5810   5.9631   2.5321   7.2000   3.7243   4.9000   3.4529   7.6154   2.0330   6.4320   2.0318 1.183390 2.874219 
1 1 1   23    5   27 o   32.071   2.1919  124.358   16.500  143.600   23.422  105.400   23.249   34.168   2.9313   29.002   3.4633 5.166273 4.537316 
1 1 1   23    5   28 o   19.324   1.7025   44.997   7.6893   64.600   10.932   25.800   10.818   23.094   2.0250   14.174   3.2947 8.920263 3.867289 
1 1 1   23    5   29 o   25.764   1.8363   80.076   11.099   95.300   15.870   65.500   15.528   27.904   2.4328   22.902   2.9392 5.002352 3.815378 
1 1 1   23    5   30 o   9.1974   2.7030   10.600   6.2591   10.600   6.2591   0.0000   0.0000   9.1974   2.7030  ?   ?  0.000000 2.702997 
1 1 1   23    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    5   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6    0 o   94.572   7.7601  1117.10  170.612  1117.10  170.612  1117.10  170.612   94.572   7.7601   94.572   7.7601 0.000000 0.000000 
1 1 1   23    6    1 o   53.142   3.1573  338.894   39.442  345.800   55.803  332.000   55.755   53.256   4.4790   52.140   4.5747 1.115444 6.402316 
1 1 1   23    6    2 o   47.672   2.7808  271.928   31.167  232.100   43.983  312.100   44.172   43.608   4.3284   50.832   3.7055 -7.223587 5.697902 
1 1 1   23    6    3 o   47.098   2.8364  265.606   31.398  284.000   44.457  247.300   44.350   48.406   3.9232   45.057   4.2175 3.349041 5.760054 
1 1 1   23    6    4 o   40.970   2.5965  200.749   24.990  196.100   35.338  205.400   35.343   40.208   3.7659   41.184   3.6728 -0.9764175 5.260350 
1 1 1   23    6    5 o   61.690   3.6275  458.898   52.610  432.200   74.469  485.500   74.335   59.123   5.3935   62.857   5.0508 -3.734135 7.389208 
1 1 1   23    6    6 o   46.817   2.6750  262.198   29.450  329.100   41.727  195.800   41.570   52.269   3.3992   39.935   4.4858 12.33391 5.628233 
1 1 1   23    6    7 o   54.828   3.2387  361.438   41.745  335.100   59.023  387.800   59.049   52.206   4.8429   56.348   4.4746 -4.142376 6.593649 
1 1 1   23    6    8 o   7.4377   1.7369   6.8236   2.9952   2.9000   4.3066   10.500   4.1686   5.8960   2.2403   9.2302   1.9724 -3.334174 2.984896 
1 1 1   23    6    9 o   62.619   3.5918  473.396   52.889  552.400   74.845  394.600   74.746   67.119   4.7531   56.202   5.7115 10.91611 7.430562 
1 1 1   23    6   10 o   74.411   4.2739  674.515   74.782  732.100  105.744  616.900  105.772   76.490   5.9001   69.767   6.4949 6.722549 8.774653 
1 1 1   23    6   11 o   68.343   4.0066  568.030   64.377  626.500   90.981  509.400   91.105   70.909   5.4760   63.464   6.1567 7.444885 8.239623 
1 1 1   23    6   12 o   7.3067   1.6891   6.5886   2.8559   7.7000   4.0600   5.5000   4.0181   7.9103   2.1273   6.8710   2.1941 1.039288 3.056046 
1 1 1   23    6   13 o   34.873   2.3217  145.671   19.009  135.800   26.844  155.600   26.922   33.372   3.4565   35.817   3.2174 -2.444897 4.722229 
1 1 1   23    6   14 o   36.931   2.4353  163.649   21.119  162.500   29.857  164.800   29.876   36.491   3.5082   36.759   3.4834 -0.2677040 4.943858 
1 1 1   23    6   15 o   39.797   2.5839  190.480   24.151  204.600   34.118  176.300   34.191   40.922   3.5664   37.847   3.8806 3.074841 5.270485 
1 1 1   23    6   16 f   33.096   2.2909  131.523   17.794  144.400   25.142  118.600   25.187   34.447   3.1249   31.073   3.4931 3.373762 4.686924 
1 1 1   23    6   17 o   19.417   1.7961   45.256   8.1420   46.300   11.482   44.200   11.547   19.482   2.5578   19.006   2.6444 0.4751492 3.679053 
1 1 1   23    6   18 o   36.278   2.3555  158.362   20.070  187.100   28.426  129.800   28.339   39.189   3.0971   32.341   3.7822 6.847240 4.888471 
1 1 1   23    6   19 o   2.0150   0.9161  -0.5962   0.9527  -6.3000   1.3203   5.6000   1.3761  ?   ?    6.8241   0.8740 0.000000 0.8740344 
1 1 1   23    6   20 o   12.432   1.6352   18.705   4.6838   21.300   6.6828   16.200   6.5666   13.158   2.2305   11.390   2.5093 1.768225 3.357329 
1 1 1   23    6   21 o   8.3008   1.5981   8.4746   3.0187   13.600   4.4216   4.0000   4.1314   10.525   1.8463   6.2298   2.2234 4.295464 2.890095 
1 1 1   23    6   22 f   10.373   1.6548   13.132   3.9170   14.100   5.5929   12.200   5.4874   10.635   2.2944   9.8766   2.3808 0.7588224 3.306404 
1 1 1   23    6   23 o   44.618   2.7792  242.264   29.136  273.300   41.228  211.300   41.180   46.836   3.7594   40.793   4.3419 6.043644 5.743262 
1 1 1   23    6   24 o   27.264   2.0070   89.504   12.830   99.700   18.185   79.400   18.103   28.555   2.7302   25.329   3.0909 3.226141 4.124050 
1 1 1   23    6   25 o   15.950   1.6471   30.656   6.1145   35.700   8.7303   25.800   8.5663   17.098   2.2144   14.391   2.6173 2.706984 3.428337 
1 1 1   23    6   26 o   20.525   1.6223   50.563   7.7991   64.300   11.149   37.400   10.914   23.054   2.0701   17.344   2.7569 5.709286 3.447615 
1 1 1   23    6   27 o   32.190   2.2453  125.480   16.961  148.500   23.996  102.500   23.975   34.726   2.9544   28.493   3.6472 6.233761 4.693625 
1 1 1   23    6   28 o   43.050   2.7857  227.494   28.166  244.100   39.781  210.800   39.885   43.831   3.8838   40.442   4.2396 3.388870 5.749643 
1 1 1   23    6   29 o   23.440   1.7412   66.212   9.5690   82.900   13.653   50.100   13.415   26.080   2.2386   19.987   2.9294 6.093620 3.686840 
1 1 1   23    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    6   44 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7    0 o   6.7582   2.7117   7.5000   4.2065   7.5000   4.2065   7.5000   4.2065   6.7582   2.7117   6.7582   2.7117 0.000000 0.000000 
1 1 1   23    7    1 o   21.865   1.8528   57.105   9.4764   58.400   13.377   55.800   13.427   21.987   2.6286   21.470   2.7087 0.5170822 3.774414 
1 1 1   23    7    2 o   48.377   2.9236  280.483   33.241  301.900   47.029  259.100   46.991   49.874   4.0276   46.066   4.3722 3.807796 5.944612 
1 1 1   23    7    3 o   30.951   2.1281  114.330   15.459   99.700   21.811  129.100   21.915   28.672   3.2805   32.765   2.8612 -4.093069 4.352986 
1 1 1   23    7    4 o   48.183   2.8494  278.108   32.276  311.300   45.709  245.100   45.581   50.696   3.8469   44.781   4.3660 5.914379 5.819013 
1 1 1   23    7    5 o   25.917   2.0067   80.222   12.185   67.700   17.247   92.700   17.217   23.576   3.1791   27.759   2.6591 -4.183819 4.144534 
1 1 1   23    7    6 o   82.583   4.6291  832.206   89.907  902.500  127.233  762.100  127.063   84.783   6.4024   77.406   7.0281 7.377029 9.507115 
1 1 1   23    7    7 o   63.307   3.5746  483.470   53.218  519.700   75.504  447.700   75.023   65.019   4.9550   60.130   5.3392 4.889114 7.284196 
1 1 1   23    7    8 o   45.349   2.7957  246.545   29.792  242.600   42.105  250.500   42.159   44.619   4.0400   45.367   3.9755 -0.7482185 5.667999 
1 1 1   23    7    9 o   22.225   1.8296   59.015   9.5166   68.400   13.484   49.700   13.434   23.840   2.4291   20.188   2.9014 3.652578 3.783995 
1 1 1   23    7   10 o   51.467   3.0661  318.626   37.094  334.900   52.497  302.400   52.421   52.318   4.2870   49.598   4.5257 2.719391 6.233815 
1 1 1   23    7   11 o   30.236   2.1551  109.352   15.286  107.900   21.634  110.800   21.601   29.825   3.1179   30.239   3.0676 -0.4145489 4.374004 
1 1 1   23    7   12 o   19.482   1.7967   45.455   8.1726   48.800   11.548   42.100   11.567   20.067   2.4906   18.569   2.7185 1.498325 3.686952 
1 1 1   23    7   13 o   5.9274   1.6629   4.2849   2.4220   5.6000   3.3259   2.8000   3.5342   6.7907   1.9631   5.5134   2.0432 1.277356 2.833445 
1 1 1   23    7   14 o   38.766   2.5371  180.580   23.097  188.700   32.604  172.400   32.723   39.311   3.5506   37.492   3.7464 1.819832 5.161655 
1 1 1   23    7   15 o   94.543   5.4133  1127.57  120.351  1331.80  170.257  923.600  170.146  100.309   7.2365   81.097   9.0388 19.21243 11.57868 
1 1 1   23    7   16 o   35.273   2.3719  149.556   19.641  176.100   27.774  123.000   27.780   38.053   3.1183   31.520   3.8097 6.533445 4.923148 
1 1 1   23    7   17 o   24.785   1.9731   73.720   11.453   82.000   16.177   65.400   16.216   25.982   2.6750   23.071   3.0514 2.911165 4.057955 
1 1 1   23    7   18 o   35.225   2.3789  149.415   19.671  167.800   27.807  131.000   27.831   37.052   3.2100   32.523   3.6891 4.528381 4.890119 
1 1 1   23    7   19 o   18.929   1.8015   43.082   7.9554   55.800   11.236   30.300   11.265   21.469   2.2499   15.527   3.1794 5.942007 3.894905 
1 1 1   23    7   20 o   45.361   2.8301  249.943   30.163  280.400   42.662  219.500   42.652   47.514   3.8351   41.680   4.4001 5.834812 5.836864 
1 1 1   23    7   21 o   24.187   1.9431   70.358   11.004   73.500   15.542   67.200   15.583   24.511   2.7316   23.378   2.8839 1.133282 3.972244 
1 1 1   23    7   22 f   3.9762   1.3995   1.6465   1.6313   5.3000   2.5170  -1.0000   2.1422   6.5430   1.6340   3.1235   1.4011 3.419445 2.152399 
1 1 1   23    7   23 o   15.291   1.6296   28.171   5.7932   36.700   8.2565   19.900   8.1306   17.387   2.0505   12.572   2.8095 4.814674 3.478135 
1 1 1   23    7   24 o   13.169   1.4857   20.898   4.5392   30.700   6.5804   12.000   6.2698   15.937   1.7789   9.7909   2.6480 6.145956 3.190094 
1 1 1   23    7   25 o   22.551   1.6012   60.924   8.4713   84.200   12.135   38.800   11.831   26.444   1.9573   17.626   2.9466 8.818451 3.537435 
1 1 1   23    7   26 o   30.809   2.1651  114.680   15.651  143.700   22.161   85.800   22.108   34.271   2.7619   26.044   3.6987 8.226879 4.616110 
1 1 1   23    7   27 o   19.008   1.8133   43.632   8.0400   55.300   11.355   31.900   11.386   21.289   2.2951   15.853   3.1525 5.435753 3.899427 
1 1 1   23    7   28 o   48.309   2.9432  287.826   33.415  353.200   47.301  222.700   47.211   52.781   3.8210   40.877   4.9949 11.90444 6.288796 
1 1 1   23    7   29 o   23.776   1.7702   68.182   9.8673   82.400   14.226   55.000   13.698   25.953   2.3467   20.984   2.8371 4.968752 3.681875 
1 1 1   23    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    7   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8    0 o   2.3167   1.4695   0.2000   1.7427   0.2000   1.7427   0.2000   1.7427   2.3167   1.4695   2.3167   1.4695 0.000000 0.000000 
1 1 1   23    8    1 o   85.754   4.7532  897.806   95.873  781.700  135.500  1014.20  135.669   78.169   7.4302   89.958   6.4291 -11.78893 9.825538 
1 1 1   23    8    2 o   94.622   5.3052  1101.48  118.060  978.700  166.917  1224.40  167.006   86.754   8.2472   98.091   7.2617 -11.33685 10.98857 
1 1 1   23    8    3 o   26.733   1.9875   85.306   12.457   73.300   17.585   97.400   17.649   24.565   3.1006   28.461   2.6567 -3.896206 4.083080 
1 1 1   23    8    4 o   26.703   2.0146   85.145   12.610   86.400   17.868   83.900   17.797   26.747   2.8741   26.345   2.9094 0.4015999 4.089631 
1 1 1   23    8    5 o   69.522   3.9833  585.436   65.120  594.900   92.161  576.000   92.025   69.189   5.6914   68.020   5.7843 1.169769 8.114787 
1 1 1   23    8    6 o   75.198   4.0581  685.614   71.793  772.700  101.787  599.400  101.275   79.003   5.4903   69.044   6.2804 9.958519 8.341857 
1 1 1   23    8    7 o   35.277   2.3877  148.842   19.773  139.000   28.024  158.600   27.903   33.816   3.5631   36.215   3.2990 -2.399220 4.855855 
1 1 1   23    8    8 o   10.882   1.6832   14.368   4.1853   13.000   5.9581   15.700   5.8806   10.242   2.4881   11.286   2.2849 -1.044257 3.378088 
1 1 1   23    8    9 o  119.016   6.8720  1805.25  192.307  1811.30  271.929  1799.20  271.999  114.378   10.174  113.920   10.220 0.4577255 14.42098 
1 1 1   23    8   10 o   57.989   3.3924  406.173   46.251  430.200   65.445  382.200   65.372   59.070   4.7316   55.497   5.0434 3.572197 6.915481 
1 1 1   23    8   11 o   52.069   3.1317  326.907   38.327  333.600   54.173  320.200   54.231   52.059   4.4496   50.946   4.5560 1.112690 6.368387 
1 1 1   23    8   12 o   29.401   2.0786  103.408   14.338  114.500   20.316   92.400   20.239   30.783   2.8265   27.540   3.1700 3.242729 4.247076 
1 1 1   23    8   13 o   11.329   1.7065   15.579   4.4237   19.500   6.1954   11.500   6.3184   12.620   2.1565   9.6546   2.6778 2.965115 3.438147 
1 1 1   23    8   14 o   22.074   1.9049   58.404   9.8317   64.400   13.843   52.300   13.966   23.049   2.5882   20.656   2.9468 2.392347 3.922041 
1 1 1   23    8   15 o   25.698   1.9887   79.152   11.974   79.600   16.905   78.700   16.962   25.575   2.8476   25.420   2.8764 0.1544094 4.047559 
1 1 1   23    8   16 o   11.575   1.6687   16.252   4.4292   16.500   6.2425   16.000   6.2855   11.535   2.3711   11.347   2.4196 0.1872673 3.387731 
1 1 1   23    8   17 o   44.768   2.7653  242.351   29.090  288.400   41.162  196.400   41.118   48.455   3.6237   39.520   4.4855 8.934826 5.766295 
1 1 1   23    8   18 o   20.396   1.8231   49.961   8.6881   66.400   12.283   33.500   12.291   23.445   2.2461   16.321   3.3025 7.123861 3.993883 
1 1 1   23    8   19 o   10.889   1.6611   14.430   4.1359   10.100   5.7128   19.200   5.9954   9.0406   2.5600   12.505   2.1051 -3.464575 3.314397 
1 1 1   23    8   20 o   43.577   2.7214  230.308   27.863  268.100   39.426  192.600   39.382   46.573   3.6133   39.037   4.3460 7.535358 5.651894 
1 1 1   23    8   21 o   17.071   1.6733   35.054   6.6586   44.600   9.4909   25.800   9.3443   19.178   2.1319   14.351   2.8579 4.827005 3.565482 
1 1 1   23    8   22 o   59.620   3.4206  437.898   47.955  519.900   67.902  356.300   67.735   64.008   4.5216   51.978   5.6074 12.02959 7.203283 
1 1 1   23    8   23 o   43.133   2.6975  226.149   27.337  249.200   38.703  203.200   38.617   44.737   3.6968   40.109   4.1367 4.627525 5.547882 
1 1 1   23    8   24 o   29.746   2.1688  106.823   15.129  120.900   21.377   92.700   21.413   31.385   2.9179   27.258   3.4007 4.126661 4.480926 
1 1 1   23    8   25 o   22.064   1.8159   58.585   9.3771   71.300   13.295   46.000   13.227   24.210   2.3555   19.197   3.0175 5.012264 3.827981 
1 1 1   23    8   26 o   12.661   1.6423   19.439   4.7945   25.200   6.8477   13.900   6.7150   14.344   2.0825   10.502   2.6945 3.842478 3.405492 
1 1 1   23    8   27 o   44.432   2.8231  242.105   29.466  275.300   41.669  208.900   41.674   46.694   3.8123   40.155   4.4709 6.538807 5.875629 
1 1 1   23    8   28 o   7.2435   1.7278   6.5332   2.9139   9.6000   4.1323   3.5000   4.1095   8.7587   2.0365   5.9963   2.2067 2.762416 3.002815 
1 1 1   23    8   29 o   21.174   1.6371   53.996   8.1216   74.900   12.518   38.800   10.673   24.793   2.1597   17.629   2.6454 7.164009 3.415048 
1 1 1   23    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    8   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9    0 o  134.865   11.407  2385.00  357.305  2385.00  357.305  2385.00  357.305  134.865   11.407  134.865   11.407 0.000000 0.000000 
1 1 1   23    9    1 o   22.148   1.8768   58.619   9.7233   63.400   13.724   53.800   13.778   22.924   2.5801   21.041   2.8460 1.882654 3.841459 
1 1 1   23    9    2 o   32.108   2.2224  123.149   16.746  125.500   23.689  120.800   23.677   32.228   3.1533   31.597   3.2182 0.6300182 4.505549 
1 1 1   23    9    3 o   46.427   2.8461  258.400   31.051  237.700   43.913  279.100   43.913   44.103   4.2701   47.944   3.9129 -3.841129 5.791722 
1 1 1   23    9    4 o   37.624   2.4627  169.312   21.759  179.500   30.754  159.100   30.790   38.520   3.4164   36.184   3.6535 2.336010 5.002015 
1 1 1   23    9    5 f   72.018   4.0680  629.190   68.898  721.600   97.468  536.900   97.405   76.355   5.4414   65.227   6.4066 11.12776 8.405575 
1 1 1   23    9    6 o   60.880   3.5596  447.406   50.950  441.900   72.092  452.900   72.017   59.795   5.1561   60.577   5.0815 -0.7822151 7.239307 
1 1 1   23    9    7 o   90.597   5.1560  1012.11  109.848  958.400  155.359  1065.80  155.337   85.917   7.7407   91.096   7.2821 -5.178818 10.62770 
1 1 1   23    9    8 o   30.581   2.1692  111.808   15.563  101.600   22.018  122.000   22.001   28.906   3.2841   31.786   2.9654 -2.880173 4.424772 
1 1 1   23    9    9 o   78.731   4.4895  759.326   83.120  822.200  117.571  696.500  117.527   80.621   6.2239   73.672   6.8335 6.948845 9.243018 
1 1 1   23    9   10 o   67.751   3.6917  556.779   58.839  637.300   83.377  476.900   83.044   71.752   4.9513   61.503   5.7861 10.24905 7.615381 
1 1 1   23    9   11 o   39.312   2.4846  185.304   22.946  208.600   32.482  162.100   32.418   41.469   3.3456   36.366   3.8328 5.103230 5.087581 
1 1 1   23    9   12 o   24.731   1.9413   73.196   11.246   75.100   15.920   71.300   15.888   24.887   2.7554   24.224   2.8311 0.6630077 3.950558 
1 1 1   23    9   13 o   63.782   3.6822  495.738   55.223  539.200   78.153  452.400   78.041   65.625   5.0830   59.721   5.5994 5.903912 7.562403 
1 1 1   23    9   14 o   11.687   1.6805   16.557   4.5046   18.100   6.3556   15.000   6.3853   12.114   2.3061   10.979   2.5168 1.134962 3.413589 
1 1 1   23    9   15 o   13.642   1.6617   22.444   5.2426   21.800   7.3802   23.100   7.4486   13.290   2.4417   13.701   2.3892 -0.4109049 3.416116 
1 1 1   23    9   16 o   5.6801   1.6670   3.9006   2.3822   0.2000   3.4428   7.3000   3.2997   4.4836   1.8936   7.6771   1.8434 -3.193520 2.642735 
1 1 1   23    9   17 o   18.280   1.7702   40.153   7.5454   40.600   10.640   39.700   10.702   18.217   2.5428   17.998   2.5928 0.2189751 3.631577 
1 1 1   23    9   18 o   19.073   1.7460   43.682   7.7763   54.800   11.031   32.700   10.964   21.280   2.2283   16.198   2.9761 5.082384 3.717903 
1 1 1   23    9   19 o   36.837   2.5810  164.277   22.309  190.400   31.386  137.600   31.717   39.321   3.4142   33.048   4.1562 6.272907 5.378741 
1 1 1   23    9   20 o   49.940   3.0632  304.450   35.948  339.400   50.838  269.500   50.838   52.026   4.1733   45.929   4.7565 6.097294 6.327771 
1 1 1   23    9   21 o   18.159   1.7680   39.704   7.4848   41.100   10.570   38.300   10.600   18.304   2.5118   17.627   2.6269 0.6765881 3.634458 
1 1 1   23    9   22 o   52.569   3.0037  337.525   37.131  418.900   52.617  256.800   52.407   57.965   3.8664   44.469   5.0820 13.49577 6.385602 
1 1 1   23    9   23 o   20.951   1.7831   52.784   8.7374   69.800   12.381   35.900   12.333   24.007   2.2087   16.872   3.2128 7.135622 3.898779 
1 1 1   23    9   24 o   41.453   2.3826  207.803   23.224  270.900   32.988  145.800   32.701   47.042   2.9851   33.855   4.1793 13.18744 5.135882 
1 1 1   23    9   25 o   28.865   2.0909  100.546   14.155  116.500   20.052   84.700   19.984   30.834   2.7841   26.044   3.3253 4.789808 4.336923 
1 1 1   23    9   26 o   19.894   1.7845   47.705   8.2941   59.300   11.753   36.200   11.707   22.064   2.2891   16.963   3.0340 5.101059 3.800717 
1 1 1   23    9   27 f   13.487   1.6346   22.042   5.0993   33.800   7.2294   10.400   7.1938   16.689   1.8664   9.2498   2.9339 7.439498 3.477209 
1 1 1   23    9   28 o   6.0422   1.6381   4.5121   2.3958   7.0000   3.4923   2.3000   3.2930   7.4919   1.9538   5.1609   1.9595 2.330956 2.767103 
1 1 1   23    9   29 o   28.827   3.1019  104.300   20.783   0.0000   0.0000  104.300   20.783  ?   ?    28.827   3.1019 0.000000 3.101901 
1 1 1   23    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23    9   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10    0 o   33.495   3.3375  137.400   25.796  137.400   25.796  137.400   25.796   33.495   3.3375   33.495   3.3375 0.000000 0.000000 
1 1 1   23   10    1 o   10.159   1.6846   12.558   3.8995   14.300   5.4282   10.700   5.6055   10.773   2.2080   9.3180   2.4970 1.455164 3.333187 
1 1 1   23   10    2 o   54.441   3.2125  356.423   41.115  378.700   58.180  334.200   58.110   55.660   4.4641   52.139   4.7728 3.520741 6.535130 
1 1 1   23   10    3 o   56.775   3.3258  388.076   44.393  409.900   62.816  366.300   62.747   57.837   4.6384   54.528   4.9263 3.308929 6.766384 
1 1 1   23   10    4 o   37.689   2.4790  169.974   21.939  159.600   31.062  180.300   30.991   36.222   3.6828   38.591   3.4368 -2.368660 5.037285 
1 1 1   23   10    5 o   28.625   2.0790   97.895   13.957   93.700   19.727  102.100   19.750   27.812   3.0540   29.077   2.9158 -1.264860 4.222393 
1 1 1   23   10    6 o   43.476   2.6849  226.567   27.429  200.600   38.766  252.600   38.815   40.485   4.1121   45.641   3.6315 -5.155792 5.486133 
1 1 1   23   10    7 o   15.476   1.6985   28.750   6.1051   33.500   8.6339   24.000   8.6339   16.626   2.2575   13.940   2.7206 2.686581 3.535305 
1 1 1   23   10    8 o   41.039   2.5905  201.929   24.975  208.500   35.377  195.400   35.262   41.396   3.6567   40.026   3.7754 1.370266 5.255952 
1 1 1   23   10    9 o   62.637   3.6568  475.898   53.852  483.500   76.170  468.300   76.148   62.289   5.2269   61.240   5.3186 1.049053 7.457084 
1 1 1   23   10   10 o   55.049   3.2740  366.248   42.368  373.600   59.923  358.900   59.910   54.962   4.6611   53.808   4.7643 1.153435 6.665175 
1 1 1   23   10   11 o   62.267   3.6154  471.133   52.930  522.600   74.904  419.800   74.806   64.819   4.9307   57.661   5.5631 7.158195 7.433644 
1 1 1   23   10   12 o   37.372   2.4163  167.609   21.210  186.200   30.028  149.100   29.962   39.142   3.2790   34.858   3.6964 4.283669 4.941199 
1 1 1   23   10   13 o   19.917   1.7957   47.549   8.3547   47.800   11.839   47.300   11.791   19.812   2.5929   19.705   2.5973 0.1067181 3.670061 
1 1 1   23   10   14 o   32.495   2.1641  126.609   16.511  144.500   23.410  108.900   23.290   34.523   2.8984   29.793   3.3698 4.730360 4.444795 
1 1 1   23   10   15 o   27.014   2.0166   87.528   12.771   97.600   18.082   77.500   18.041   28.357   2.7342   25.136   3.1057 3.221655 4.137755 
1 1 1   23   10   16 o   40.929   2.6449  202.282   25.426  219.200   35.924  185.300   35.992   42.205   3.6402   38.614   4.0056 3.590546 5.412555 
1 1 1   23   10   17 o   12.637   1.6362   19.308   4.7679   27.300   6.8048   11.600   6.6825   15.000   1.9687   9.6894   2.7774 5.310564 3.404350 
1 1 1   23   10   18 o   48.746   3.0109  289.168   34.487  331.500   48.762  246.800   48.782   51.611   4.0332   44.042   4.7668 7.568993 6.244088 
1 1 1   23   10   19 o   42.905   2.6510  222.949   26.727  278.900   37.831  167.200   37.763   47.641   3.3849   36.263   4.5072 11.37765 5.636734 
1 1 1   23   10   20 o   15.397   1.7078   28.599   6.1049   28.800   8.6510   28.400   8.6163   15.278   2.4832   15.167   2.4923 0.1111317 3.518213 
1 1 1   23   10   21 o   45.707   2.6395  253.308   28.367  325.100   40.214  182.200   40.022   51.412   3.3303   37.734   4.5858 13.67799 5.667552 
1 1 1   23   10   22 o   35.925   2.2771  155.740   19.217  192.800   27.255  119.100   27.100   39.718   2.9266   30.789   3.8087 8.929596 4.803276 
1 1 1   23   10   23 o   16.876   1.7086   34.322   6.7150   38.000   9.6017   30.800   9.3947   17.612   2.3688   15.761   2.6161 1.851229 3.529186 
1 1 1   23   10   24 o   11.341   1.6520   15.653   4.2939   17.300   6.1641   14.100   5.9849   11.796   2.2957   10.605   2.4406 1.190893 3.350636 
1 1 1   23   10   25 o   12.855   1.6721   20.044   4.9553   26.200   7.1011   14.200   6.9183   14.625   2.1179   10.614   2.7412 4.011207 3.464026 
1 1 1   23   10   26 o   29.287   3.1200  106.500   21.245  106.500   21.245   0.0000   0.0000   29.287   3.1200  ?   ?  0.000000 3.120044 
1 1 1   23   10   27 o   37.356   2.4406  170.056   21.410  222.500   30.306  117.800   30.251   42.394   3.0477   30.014   4.3989 12.37987 5.351502 
1 1 1   23   10   28 o   12.868   1.6893   20.159   5.0088   25.000   7.1140   15.400   7.0535   14.225   2.1880   11.002   2.7284 3.223015 3.497379 
1 1 1   23   10   29 o   18.254   2.5680   41.500   10.763   0.0000   0.0000   41.500   10.763  ?   ?    18.254   2.5680 0.000000 2.568002 
1 1 1   23   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   10   43 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11    0 o   8.0122   2.8295  10.0000   4.8649  10.0000   4.8649  10.0000   4.8649   8.0122   2.8295   8.0122   2.8295 0.000000 0.000000 
1 1 1   23   11    1 o   32.249   2.2198  124.295   16.801  113.300   23.756  135.300   23.766   30.542   3.3487   33.483   3.0390 -2.940922 4.522093 
1 1 1   23   11    2 o   19.748   1.7916   46.650   8.2639   46.600   11.716   46.700   11.658   19.599   2.5954   19.624   2.5781 -0.2483940E-01 3.658225 
1 1 1   23   11    3 o   49.844   3.0077  298.546   35.235  292.000   49.814  305.100   49.845   48.826   4.3666   49.957   4.2663 -1.130642 6.104764 
1 1 1   23   11    4 o   40.827   2.5820  199.681   24.764  185.700   34.997  213.700   35.046   39.022   3.8482   41.974   3.5698 -2.952106 5.248982 
1 1 1   23   11    5 o   48.207   2.9271  279.236   33.163  272.400   46.853  286.100   46.946   47.160   4.2531   48.381   4.1494 -1.220947 5.941924 
1 1 1   23   11    6 o   27.208   2.0335   88.498   12.970   90.800   18.352   86.200   18.332   27.394   2.8802   26.665   2.9615 0.7292385 4.131111 
1 1 1   23   11    7 o   39.259   2.5198  184.745   23.236  176.100   32.851  193.400   32.870   37.993   3.7090   39.891   3.5258 -1.897842 5.117401 
1 1 1   23   11    8 o   51.248   2.8572  315.636   34.439  372.800   48.861  259.200   48.549   55.364   3.7597   45.798   4.5494 9.566090 5.901858 
1 1 1   23   11    9 o   38.923   2.5103  181.741   22.949  189.100   32.475  174.400   32.436   39.409   3.5269   37.783   3.6823 1.626583 5.098897 
1 1 1   23   11   10 o   54.264   3.1023  355.434   39.586  410.800   56.068  300.400   55.900   57.875   4.1297   49.074   4.8889 8.801086 6.399691 
1 1 1   23   11   11 o   15.057   1.7028   27.269   5.9480   28.600   8.3524   25.900   8.4723   15.296   2.3907   14.503   2.5678 0.7924824 3.508450 
1 1 1   23   11   12 o   42.084   2.5154  212.757   24.883  256.700   35.267  169.200   35.112   45.979   3.2696   36.977   4.0897 9.001591 5.236011 
1 1 1   23   11   13 o   63.138   3.5134  485.812   52.174  566.800   73.894  405.300   73.677   67.427   4.6698   56.303   5.6165 11.12339 7.304258 
1 1 1   23   11   14 o   36.027   2.3703  156.071   20.052  175.000   28.380  137.200   28.336   37.885   3.2023   33.349   3.6584 4.536678 4.861939 
1 1 1   23   11   15 o   28.909   2.1193  100.362   14.367  112.400   20.307   88.300   20.328   30.400   2.8625   26.785   3.2826 3.615213 4.355433 
1 1 1   23   11   16 o   12.680   1.6628   19.450   4.8589   22.500   6.8715   16.400   6.8715   13.542   2.2263   11.458   2.5994 2.083729 3.422462 
1 1 1   23   11   17 o   18.403   1.7895   40.733   7.6781   46.700   10.829   34.700   10.888   19.587   2.3910   16.726   2.8595 2.860725 3.727393 
1 1 1   23   11   18 o   31.038   2.2015  116.008   16.031  123.000   22.658  109.000   22.683   31.681   3.0671   29.726   3.2865 1.954887 4.495348 
1 1 1   23   11   19 o   32.127   2.1905  124.300   16.519  154.000   23.400   94.800   23.321   35.562   2.8095   27.529   3.6797 8.032841 4.629618 
1 1 1   23   11   20 o   18.385   1.7459   40.667   7.4885   46.800   10.619   34.600   10.562   19.599   2.3409   16.699   2.7760 2.900036 3.631237 
1 1 1   23   11   21 o   26.166   1.9597   82.347   12.021   93.900   17.077   71.000   16.924   27.753   2.6374   23.963   3.0608 3.790562 4.040342 
1 1 1   23   11   22 o   9.9881   1.6606   12.204   3.7792   10.900   5.3520   13.500   5.3371   9.3377   2.4107   10.408   2.2382 -1.069924 3.289503 
1 1 1   23   11   23 o   15.333   1.6233   28.330   5.7879   37.300   8.2900   19.800   8.0846   17.528   2.0412   12.535   2.8017 4.992133 3.466383 
1 1 1   23   11   24 o   13.797   1.6525   23.027   5.2769   27.300   7.5285   18.900   7.3987   14.915   2.2039   12.267   2.6330 2.648840 3.433648 
1 1 1   23   11   25 o   30.160   2.1817  109.995   15.433  123.700   21.829   96.300   21.821   31.694   2.9507   27.741   3.4024 3.952427 4.503703 
1 1 1   23   11   26 o   16.292   1.7432   32.105   6.6020   32.800   9.3004   31.400   9.3733   16.271   2.5007   15.887   2.5876 0.3836927 3.598477 
1 1 1   23   11   27 o   13.167   2.4633   21.700   7.3773   21.700   7.3773   0.0000   0.0000   13.167   2.4633  ?   ?  0.000000 2.463259 
1 1 1   23   11   28 o   29.774   1.8390  106.942   12.866  151.300   18.729   67.300   17.705   35.252   2.2618   22.994   3.3599 12.25751 4.050287 
1 1 1   23   11   29 o   17.707   2.5574   39.100   10.383   0.0000   0.0000   39.100   10.383  ?   ?    17.707   2.5574 0.000000 2.557391 
1 1 1   23   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   11   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12    0 o   78.693   6.5432  771.200  119.654  771.200  119.654  771.200  119.654   78.693   6.5432   78.693   6.5432 0.000000 0.000000 
1 1 1   23   12    1 o   69.624   3.9751  589.039   65.083  542.800   91.980  635.400   92.102   65.654   5.9993   71.412   5.5042 -5.758629 8.141768 
1 1 1   23   12    2 o   56.156   3.3109  380.377   43.709  404.800   61.844  356.000   61.785   57.383   4.6028   53.634   4.9338 3.749538 6.747395 
1 1 1   23   12    3 o   80.449   4.2721  789.760   80.866  621.000  114.196  959.500  114.527   69.378   7.0693   87.734   5.5568 -18.35529 8.991827 
1 1 1   23   12    4 f   89.681   5.0986  994.973  107.526  1043.50  152.107  946.500  152.023   89.825   7.2324   85.097   7.6470 4.727928 10.52547 
1 1 1   23   12    5 o   52.875   3.1601  337.043   39.275  320.100   55.532  354.000   55.556   50.907   4.6717   53.673   4.4227 -2.766338 6.433160 
1 1 1   23   12    6 o   26.208   2.0065   82.156   12.323   80.900   17.473   83.400   17.383   25.822   2.9167   26.238   2.8515 -0.4159203 4.079023 
1 1 1   23   12    7 o   45.723   2.7559  251.202   29.616  269.200   41.999  233.400   41.769   46.971   3.8197   43.606   4.1048 3.365379 5.607093 
1 1 1   23   12    8 o  103.631   6.0150  1360.53  146.561  1343.40  207.460  1377.60  207.077   98.992   8.9726  100.487   8.8160 -1.494530 12.57892 
1 1 1   23   12    9 o   72.080   4.1702  637.002   70.677  632.200   99.978  641.800   99.928   70.377   6.0756   70.960   6.0204 -0.5825500 8.553252 
1 1 1   23   12   10 o   69.737   4.0442  595.893   66.311  607.200   93.808  584.600   93.749   69.094   5.8034   67.687   5.9251 1.406319 8.293717 
1 1 1   23   12   11 o   13.432   1.6345   21.739   5.0773   26.200   7.2303   17.400   7.1316   14.671   2.1510   11.824   2.6229 2.846706 3.392100 
1 1 1   23   12   12 o   15.253   1.6840   27.982   5.9641   24.500   8.4126   31.500   8.4566   14.073   2.6282   16.079   2.2922 -2.005930 3.487381 
1 1 1   23   12   13 o   32.471   2.2365  126.628   17.044  132.900   24.146  120.400   24.061   33.007   3.1357   31.348   3.3000 1.658649 4.552197 
1 1 1   23   12   14 o   51.930   3.0197  327.047   36.869  383.200   52.213  271.200   52.070   55.687   3.9972   46.323   4.8314 9.364536 6.270566 
1 1 1   23   12   15 o   14.840   1.6605   26.518   5.7191   30.000   8.1253   23.100   8.0513   15.677   2.2603   13.647   2.5933 2.029826 3.440025 
1 1 1   23   12   16 o   78.856   4.4460  777.995   82.450  902.300  116.698  654.100  116.505   83.081   5.9885   69.182   7.2389 13.89944 9.394891 
1 1 1   23   12   17 o   6.0760   1.5963   4.5518   2.3200   8.3000   3.5294   1.7000   3.0786   8.1806   1.8681   4.8172   1.8774 3.363368 2.648503 
1 1 1   23   12   18 o   8.1317   1.6186   8.1454   2.9986   12.100   4.3297   4.5000   4.1570   9.9014   1.9211   6.4470   2.2361 3.454439 2.948009 
1 1 1   23   12   19 o   25.254   1.9317   76.659   11.432   93.100   16.213   60.400   16.122   27.687   2.5069   22.045   3.1898 5.642481 4.057059 
1 1 1   23   12   20 o   20.449   1.8786   50.370   8.9698   56.700   12.617   43.900   12.755   21.544   2.5281   18.794   2.9731 2.750225 3.902587 
1 1 1   23   12   21 o   8.3559   1.6860   8.6186   3.2120   9.4000   4.6406   7.9000   4.4502   8.6851   2.2460   8.0006   2.2574 0.6844263 3.184390 
1 1 1   23   12   22 o   14.715   1.5877   26.091   5.4294   36.400   7.7590   16.200   7.6002   17.339   1.9276   11.332   2.8446 6.007721 3.436218 
1 1 1   23   12   23 o   32.191   2.1794  125.071   16.469  163.400   23.330   87.000   23.252   36.604   2.7185   26.182   3.8782 10.42235 4.736162 
1 1 1   23   12   24 o   28.826   2.1976  100.496   14.846  123.900   20.931   76.800   21.061   31.795   2.8170   24.611   3.7419 7.183754 4.683768 
1 1 1   23   12   25 o   22.619   1.9741   61.839   10.438   73.000   14.672   50.400   14.853   24.399   2.5860   19.995   3.2580 4.403900 4.159521 
1 1 1   23   12   26 o   19.464   1.9077   45.902   8.6557   56.800   12.131   34.600   12.354   21.514   2.4306   16.449   3.2953 5.064747 4.094715 
1 1 1   23   12   27 o   10.123   1.7081   12.600   3.9379   16.800   5.6383   8.6000   5.5022   11.625   2.1326   8.3672   2.5524 3.257357 3.326054 
1 1 1   23   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   29 o   14.226   2.4742   25.400   8.0101   0.0000   0.0000   25.400   8.0101  ?   ?    14.226   2.4742 0.000000 2.474237 
1 1 1   23   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   12   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13    0 o   11.309   2.8662   17.800   6.6185   17.800   6.6185   17.800   6.6185   11.309   2.8662   11.309   2.8662 0.000000 0.000000 
1 1 1   23   13    1 o   64.150   3.6922  499.140   55.694  542.900   78.818  455.500   78.709   66.141   5.0855   60.246   5.5967 5.895756 7.562057 
1 1 1   23   13    2 o   9.4104   1.6564   10.813   3.5463   11.500   5.1626   10.200   4.8799   9.6331   2.3011   9.0772   2.2798 0.5559330 3.239208 
1 1 1   23   13    3 o   31.456   2.1805  118.378   16.097  108.000   22.741  128.800   22.788   29.785   3.2881   32.636   2.9902 -2.851208 4.444438 
1 1 1   23   13    4 o   42.628   2.6453  218.109   26.496  238.300   37.509  198.000   37.433   44.258   3.6207   40.184   3.9981 4.074322 5.393902 
1 1 1   23   13    5 o   21.901   1.8586   57.402   9.5211   56.800   13.485   58.000   13.445   21.625   2.6995   21.865   2.6589 -0.2394581 3.789065 
1 1 1   23   13    6 o   19.432   1.7720   45.217   8.0414   48.600   11.429   41.900   11.316   20.025   2.4693   18.531   2.6626 1.494558 3.631389 
1 1 1   23   13    7 o   42.071   2.6639  212.757   26.327  209.600   37.272  215.900   37.193   41.356   3.8613   42.006   3.7905 -0.6491013 5.410853 
1 1 1   23   13    8 o   4.9017   1.6179   2.7149   2.1749   0.9000   3.1853   4.3000   2.9769   4.5719   1.8661   6.0376   1.8835 -1.465718 2.651369 
1 1 1   23   13    9 o   15.368   1.6852   28.384   6.0150   32.500   8.5227   24.300   8.4904   16.350   2.2686   14.017   2.6626 2.333549 3.497965 
1 1 1   23   13   10 o   59.257   3.5042  427.450   48.815  426.300   69.046  428.600   69.023   58.236   5.0716   58.405   5.0546 -0.1697006 7.160285 
1 1 1   23   13   11 o   26.580   2.0315   84.717   12.654   78.900   17.923   90.500   17.869   25.400   3.0491   27.292   2.8130 -1.892118 4.148532 
1 1 1   23   13   12 o   33.393   2.2361  133.889   17.531  157.200   24.825  110.700   24.759   35.986   2.9473   29.953   3.5710 6.032621 4.630157 
1 1 1   23   13   13 o   35.639   2.2778  152.592   19.069  185.300   27.033  120.200   26.902   39.070   2.9520   31.148   3.7320 7.922121 4.758321 
1 1 1   23   13   14 o   21.552   1.8598   55.756   9.3723   54.300   13.281   57.200   13.228   21.067   2.7341   21.655   2.6417 -0.5877571 3.801886 
1 1 1   23   13   15 o   32.761   2.2625  129.150   17.396  131.800   24.601  126.500   24.601   32.787   3.2191   32.087   3.2935 0.6994438 4.605418 
1 1 1   23   13   16 o   29.763   2.1189  106.514   14.795  115.200   20.966   97.900   20.880   30.714   2.9262   28.203   3.1914 2.511251 4.329859 
1 1 1   23   13   17 o   28.703   2.0031   98.957   13.492  120.100   19.146   78.100   19.016   31.461   2.6004   25.107   3.2863 6.354465 4.190696 
1 1 1   23   13   18 o   27.378   2.0108   90.137   12.909  104.900   18.295   75.500   18.217   29.354   2.6686   24.692   3.1996 4.661835 4.166400 
1 1 1   23   13   19 o   11.256   1.6523   15.408   4.2610   19.200   6.0196   11.600   6.0324   12.494   2.1159   9.6396   2.5934 2.854230 3.347028 
1 1 1   23   13   20 o   57.239   3.3721  403.174   45.376  470.400   64.232  336.200   64.111   60.903   4.4981   50.637   5.4474 10.26637 7.064529 
1 1 1   23   13   21 o   14.319   1.6942   24.786   5.6174   26.200   7.9835   23.400   7.9056   14.566   2.4050   13.717   2.5341 0.8491678 3.493664 
1 1 1   23   13   22 o   20.626   1.8082   51.207   8.7182   60.900   12.357   41.600   12.302   22.363   2.3764   18.272   2.9518 4.091286 3.789521 
1 1 1   23   13   23 o   37.112   2.3612  166.704   20.585  208.100   29.163  125.600   29.060   41.171   3.0208   31.462   4.0022 9.709290 5.014224 
1 1 1   23   13   24 o   21.196   2.0584   54.432   10.173   74.100   14.234   33.900   14.544   24.633   2.4809   16.163   3.8632 8.469728 4.591186 
1 1 1   23   13   25 o   42.098   2.7528  217.075   27.214  231.400   38.386  202.600   38.588   42.757   3.8430   39.754   4.1728 3.002998 5.672853 
1 1 1   23   13   26 o   29.850   2.2128  108.224   15.486  128.200   21.860   88.100   21.941   32.188   2.9074   26.295   3.6304 5.892279 4.651083 
1 1 1   23   13   27 o   11.382   1.9433   16.010   5.0353   11.600   7.5758   19.500   6.7393   9.6698   3.0027   12.475   2.3744 -2.805600 3.828082 
1 1 1   23   13   28 o   20.179   2.7370   50.900   12.705   0.0000   0.0000   50.900   12.705  ?   ?    20.179   2.7370 0.000000 2.736984 
1 1 1   23   13   29 o   13.038   2.6150   21.600   7.7708   0.0000   0.0000   21.600   7.7708  ?   ?    13.038   2.6150 0.000000 2.614967 
1 1 1   23   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   13   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14    0 o   44.670   4.0536  244.900   41.949  244.900   41.949  244.900   41.949   44.670   4.0536   44.670   4.0536 0.000000 0.000000 
1 1 1   23   14    1 o   47.562   2.9090  272.346   32.514  284.600   45.990  260.100   45.975   48.184   4.0803   45.962   4.2855 2.222084 5.917335 
1 1 1   23   14    2 o   65.427   3.7999  520.989   58.454  492.000   82.652  550.000   82.682   62.451   5.6664   66.294   5.3267 -3.843250 7.776964 
1 1 1   23   14    3 o   16.620   1.7152   33.141   6.6346   35.300   9.4035   31.000   9.3622   17.034   2.4047   15.905   2.5812 1.128094 3.527774 
1 1 1   23   14    4 o   45.614   2.6856  249.986   28.799  298.300   40.798  202.000   40.659   49.548   3.5097   40.415   4.3277 9.132828 5.571944 
1 1 1   23   14    5 o   15.967   1.7129   30.620   6.3574   35.300   8.9720   25.900   9.0096   17.054   2.2854   14.473   2.7366 2.581422 3.565357 
1 1 1   23   14    6 o   63.409   3.6557  489.380   54.506  545.400   77.131  433.500   77.035   66.127   4.9761   58.467   5.6502 7.659672 7.529003 
1 1 1   23   14    7 o   24.529   1.9475   72.050   11.187   66.800   15.822   77.300   15.822   23.401   2.9272   25.256   2.6945 -1.854630 3.978586 
1 1 1   23   14    8 o   40.413   2.5871  196.451   24.559  198.400   34.726  194.500   34.736   40.233   3.6965   39.816   3.7383 0.4169197 5.257292 
1 1 1   23   14    9 o   52.750   3.0933  336.904   38.362  388.300   54.302  285.700   54.201   56.114   4.1270   47.681   4.8828 8.433167 6.393287 
1 1 1   23   14   10 o   67.317   3.9448  557.058   62.433  613.000   88.287  501.100   88.300   69.431   5.4282   62.170   6.0931 7.260952 8.160317 
1 1 1   23   14   11 o   45.996   2.8381  255.785   30.676  282.800   43.394  228.800   43.369   47.904   3.8691   42.821   4.3495 5.083881 5.821371 
1 1 1   23   14   12 o   36.289   2.3262  158.296   19.829  181.700   28.105  135.100   27.980   38.630   3.1073   33.080   3.6423 5.549870 4.787613 
1 1 1   23   14   13 o   73.267   4.2206  666.403   72.712  724.900  102.916  608.100  102.746   74.751   5.8779   67.768   6.5004 6.983292 8.763844 
1 1 1   23   14   14 o   19.686   1.7943   46.548   8.2495   49.600   11.671   43.500   11.662   20.171   2.5041   18.821   2.7016 1.350279 3.683606 
1 1 1   23   14   15 o   13.844   1.6860   23.150   5.3977   21.000   7.6336   25.300   7.6336   12.990   2.5795   14.346   2.3335 -1.356116 3.478391 
1 1 1   23   14   16 o   53.191   3.2239  345.950   40.302  343.800   56.998  348.100   56.993   52.047   4.6879   52.399   4.6545 -0.3520432 6.606160 
1 1 1   23   14   17 o   14.180   1.7327   24.316   5.6810   26.800   7.9315   21.700   8.1408   14.761   2.3546   13.173   2.7076 1.588120 3.588251 
1 1 1   23   14   18 o   10.554   1.6950   13.601   4.0813   12.300   5.8925   14.800   5.6584   9.9145   2.5135   10.908   2.2706 -0.9934015 3.387241 
1 1 1   23   14   19 o   63.955   3.6844  506.646   55.406  568.000   78.455  445.600   78.258   66.406   5.0409   58.024   5.7889 8.381573 7.676049 
1 1 1   23   14   20 o   17.366   1.6657   36.274   6.7468   46.500   9.6259   26.400   9.4590   19.583   2.1152   14.510   2.8624 5.073313 3.559125 
1 1 1   23   14   21 o   52.262   3.2387  335.772   39.772  417.800   56.221  253.600   56.270   57.597   4.1617   43.733   5.5758 13.86427 6.957662 
1 1 1   23   14   22 o   19.088   1.7616   43.877   7.8506   55.000   11.139   32.900   11.066   21.268   2.2523   16.183   3.0064 5.085205 3.756488 
1 1 1   23   14   23 o   33.444   2.3502  135.517   18.443  166.900   26.054  104.000   26.110   36.838   3.0218   28.592   3.9748 8.246515 4.992989 
1 1 1   23   14   24 o   28.219   2.1583   96.403   14.273  108.200   20.098   84.400   20.273   29.617   2.9114   25.923   3.3932 3.693665 4.471052 
1 1 1   23   14   25 o   12.193   1.9422   18.281   5.4047   27.700   7.4305   7.7000   7.8755   15.012   2.1582   8.5075   3.0663 6.504100 3.749680 
1 1 1   23   14   26 o   27.406   1.9918   90.900   12.802  111.100   18.219   71.200   17.992   30.070   2.5911   23.724   3.3011 6.345432 4.196542 
1 1 1   23   14   27 o   26.760   3.0177   89.700   18.736   0.0000   0.0000   89.700   18.736  ?   ?    26.760   3.0177 0.000000 3.017736 
1 1 1   23   14   28 o   10.846   2.4253   14.900   6.0559   0.0000   0.0000   14.900   6.0559  ?   ?    10.846   2.4253 0.000000 2.425340 
1 1 1   23   14   29 o   30.941   3.3639  122.500   24.182   0.0000   0.0000  122.500   24.182  ?   ?    30.941   3.3639 0.000000 3.363931 
1 1 1   23   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   14   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15    0 o   17.182   2.7186   37.600   10.204   37.600   10.204   37.600   10.204   17.182   2.7186   17.182   2.7186 0.000000 0.000000 
1 1 1   23   15    1 o  105.304   6.1174  1413.65  151.460  1426.80  214.224  1400.50  214.169  101.534   9.0292  100.427   9.1310 1.107231 12.84139 
1 1 1   23   15    2 o   43.954   2.7353  232.486   28.249  222.700   39.922  242.300   39.978   42.554   4.0206   44.475   3.8444 -1.921345 5.562821 
1 1 1   23   15    3 o   38.290   2.4879  176.049   22.372  175.300   31.629  176.800   31.649   37.873   3.5791   38.041   3.5649 -0.1677284 5.051579 
1 1 1   23   15    4 f   30.844   2.1491  113.958   15.555  131.800   22.023   96.200   21.972   33.010   2.8534   28.016   3.3902 4.994263 4.431160 
1 1 1   23   15    5 o   10.190   1.6487   12.642   3.8317   15.600   5.4262   9.7000   5.4116   11.261   2.1184   8.8790   2.4837 2.381648 3.264428 
1 1 1   23   15    6 o   40.494   2.5798  197.241   24.540  206.100   34.722  188.400   34.687   41.038   3.6202   39.153   3.7997 1.884941 5.248160 
1 1 1   23   15    7 o   5.3459   1.5580   3.4557   2.0872   0.7000   2.8385   6.7000   3.0799   4.2761   1.7553   7.3603   1.7894 -3.084179 2.506615 
1 1 1   23   15    8 o   33.397   2.2898  133.954   17.948  119.500   25.386  148.400   25.380   31.176   3.5094   34.919   3.1105 -3.743620 4.689509 
1 1 1   23   15    9 o   10.332   1.7516   13.045   4.1209   7.8000   5.9123   18.000   5.7470   8.1897   2.6659   12.116   2.0838 -3.926355 3.383680 
1 1 1   23   15   10 o   42.638   2.6890  219.439   26.935  235.200   38.105  203.700   38.078   43.719   3.7266   40.525   4.0326 3.193920 5.490907 
1 1 1   23   15   11 o   36.808   2.4194  163.085   20.911  172.200   29.598  154.000   29.548   37.493   3.3794   35.359   3.5886 2.134029 4.929339 
1 1 1   23   15   12 o   11.789   1.6537   16.846   4.4767   18.600   6.3376   15.100   6.3244   12.277   2.2696   11.003   2.4919 1.274007 3.370594 
1 1 1   23   15   13 o   21.546   1.8231   55.713   9.1885   67.700   13.015   43.800   12.975   23.646   2.3624   18.799   3.0255 4.847403 3.838559 
1 1 1   23   15   14 o   12.287   1.6627   18.291   4.7002   19.800   6.6675   16.800   6.6270   12.659   2.3159   11.607   2.4924 1.051952 3.402220 
1 1 1   23   15   15 o   44.798   2.7838  243.480   29.303  258.100   41.468  228.900   41.412   45.557   3.8921   42.735   4.1563 2.822205 5.694136 
1 1 1   23   15   16 o   35.051   2.3025  148.130   18.951  170.400   26.843  126.000   26.759   37.312   3.0741   31.822   3.6257 5.489143 4.753481 
1 1 1   23   15   17 o   30.747   2.0996  113.736   15.153  137.600   21.481   90.100   21.378   33.627   2.7288   26.913   3.4428 6.713669 4.393106 
1 1 1   23   15   18 o   42.332   2.4020  216.338   23.912  282.200   33.936  151.400   33.698   48.078   3.0043   34.582   4.2137 13.49631 5.174998 
1 1 1   23   15   19 o   65.151   3.7155  526.631   56.924  610.200   80.608  443.500   80.397   68.836   4.9931   57.598   5.9992 11.23803 7.805170 
1 1 1   23   15   20 o   43.241   2.5041  226.382   25.460  276.300   36.140  177.200   35.873   47.396   3.2488   37.440   4.1261 9.955692 5.251554 
1 1 1   23   15   21 o   28.900   2.0362  100.601   13.807  116.400   19.588   85.000   19.465   30.871   2.7147   26.161   3.2189 4.709930 4.210812 
1 1 1   23   15   22 o   54.240   3.1520  361.566   40.197  436.200   56.936  287.400   56.757   58.788   4.1276   46.763   5.2295 12.02482 6.662203 
1 1 1   23   15   23 o   10.498   1.5874   13.434   3.8124   3.5000   5.1575   25.400   5.6606   6.4067   2.4476   14.489   1.6860 -8.081882 2.972082 
1 1 1   23   15   24 o   14.542   1.9314   25.807   6.4680   35.000   8.8964   15.500   9.4203   16.876   2.2918   11.096   3.3297 5.779809 4.042169 
1 1 1   23   15   25 o   23.556   2.0121   67.249   11.085   73.700   15.501   60.500   15.856   24.411   2.7363   21.925   3.1534 2.485710 4.175094 
1 1 1   23   15   26 o   15.969   2.5992   31.900   9.4642   0.0000   0.0000   31.900   9.4642  ?   ?    15.969   2.5992 0.000000 2.599194 
1 1 1   23   15   27 o   30.672   3.2792  118.900   23.383   0.0000   0.0000  118.900   23.383  ?   ?    30.672   3.2792 0.000000 3.279183 
1 1 1   23   15   28 o   8.0336   2.4191   8.0000   4.9659   0.0000   0.0000   8.0000   4.9659  ?   ?    8.0336   2.4191 0.000000 2.419051 
1 1 1   23   15   29 o   25.246   3.0229   80.800   17.662   0.0000   0.0000   80.800   17.662  ?   ?    25.246   3.0229 0.000000 3.022873 
1 1 1   23   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   15   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16    0 o   50.144   4.4457  310.100   51.689  310.100   51.689  310.100   51.689   50.144   4.4457   50.144   4.4457 0.000000 0.000000 
1 1 1   23   16    1 o   70.951   3.9892  617.131   66.564  683.700   94.291  551.000   93.980   73.524   5.4701   65.392   6.1588 8.131882 8.237263 
1 1 1   23   16    2 o   50.618   2.9777  309.530   35.435  272.900   49.997  346.500   50.229   46.794   4.5835   53.074   4.0381 -6.279549 6.108623 
1 1 1   23   16    3 o   19.319   1.7766   44.750   8.0140   45.000   11.341   44.500   11.326   19.218   2.5631   19.106   2.5760 0.1118984 3.633870 
1 1 1   23   16    4 o   50.539   2.9671  308.703   35.255  343.600   49.964  274.100   49.753   52.822   4.0362   46.883   4.5514 5.939499 6.083313 
1 1 1   23   16    5 o   57.668   3.4056  404.728   46.170  446.000   65.312  363.500   65.277   59.785   4.6632   53.573   5.2266 6.212170 7.004519 
1 1 1   23   16    6 f   35.779   2.3887  153.895   20.066  154.700   28.461  153.100   28.294   35.540   3.4341   35.355   3.4324 0.1854057 4.855365 
1 1 1   23   16    7 o   27.764   2.0260   92.411   13.191  108.900   18.677   76.000   18.632   29.995   2.6646   24.853   3.2529 5.142145 4.204897 
1 1 1   23   16    8 o   37.842   2.5001  172.477   22.215  159.100   31.449  185.800   31.384   35.892   3.7668   38.946   3.4482 -3.054676 5.106773 
1 1 1   23   16    9 o   28.257   2.0095   95.723   13.321  117.100   18.873   74.500   18.805   31.122   2.5917   24.567   3.3272 6.554831 4.217436 
1 1 1   23   16   10 o   14.333   1.6765   24.765   5.5670   29.200   7.9049   20.400   7.8414   15.472   2.2280   12.792   2.6816 2.679464 3.486401 
1 1 1   23   16   11 o   53.901   3.2365  354.137   41.003  377.000   58.004  331.300   57.972   54.820   4.5211   51.139   4.8590 3.681084 6.637057 
1 1 1   23   16   12 o   18.439   1.7370   40.839   7.4738   46.700   10.625   35.100   10.515   19.601   2.3419   16.860   2.7348 2.741545 3.600524 
1 1 1   23   16   13 o   41.925   2.5606  212.342   25.228  257.600   35.741  167.400   35.616   45.848   3.3238   36.494   4.2101 9.353413 5.364074 
1 1 1   23   16   14 o   58.300   3.4061  416.956   46.687  471.000   66.083  363.100   65.968   61.038   4.6191   52.965   5.3478 8.072994 7.066445 
1 1 1   23   16   15 o   30.436   2.1447  111.512   15.315  125.500   21.689   97.600   21.630   32.054   2.8967   28.082   3.3265 3.971525 4.410981 
1 1 1   23   16   16 o   22.305   1.7913   59.727   9.3556   75.700   13.304   44.100   13.159   25.012   2.2774   18.819   3.0668 6.192789 3.819946 
1 1 1   23   16   17 o   4.2513   1.5258   1.8133   1.9482   2.1000   2.9826   1.6000   2.5729   4.9369   1.8672   4.4883   1.7254 0.4485927 2.542289 
1 1 1   23   16   18 o   45.923   2.6984  256.041   29.133  313.000   41.276  199.500   41.125   50.335   3.4943   39.563   4.4810 10.77268 5.682424 
1 1 1   23   16   19 o   18.848   1.7235   42.723   7.5860   52.200   10.802   33.500   10.656   20.729   2.2424   16.393   2.8568 4.336811 3.631757 
1 1 1   23   16   20 o   26.943   2.0652   87.529   13.040   96.100   18.409   78.900   18.472   27.996   2.8233   25.216   3.1725 2.779791 4.246872 
1 1 1   23   16   21 o   7.1555   1.7459   6.3560   2.9238   4.0000   4.2359   8.5000   4.0408   6.2578   2.2495   8.2592   2.0746 -2.001469 3.060107 
1 1 1   23   16   22 o   19.349   1.7936   45.140   8.1017   49.000   11.472   41.300   11.443   19.984   2.4847   18.246   2.7405 1.737560 3.699229 
1 1 1   23   16   23 o   33.373   2.2072  134.848   17.296  172.600   24.510   97.400   24.410   37.510   2.7870   27.631   3.8455 9.878790 4.749249 
1 1 1   23   16   24 o   30.989   2.2526  116.660   16.371  134.700   23.114   98.500   23.191   32.965   3.0022   27.853   3.6109 5.112242 4.695980 
1 1 1   23   16   25 o   6.6440   1.9260   5.4238   3.1973   8.2000   4.5869   2.8000   4.4593   8.1134   2.2927   5.8709   2.2675 2.242496 3.224543 
1 1 1   23   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   27 o   27.430   3.0885   94.900   19.657   0.0000   0.0000   94.900   19.657  ?   ?    27.430   3.0885 0.000000 3.088525 
1 1 1   23   16   28 o   14.194   2.5029   25.400   8.0823   0.0000   0.0000   25.400   8.0823  ?   ?    14.194   2.5029 0.000000 2.502923 
1 1 1   23   16   29 o   11.933   2.5735   18.200   7.0387   0.0000   0.0000   18.200   7.0387  ?   ?    11.933   2.5735 0.000000 2.573528 
1 1 1   23   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   16   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17    0 o   37.440   3.5916  172.500   31.082  172.500   31.082  172.500   31.082   37.440   3.5916   37.440   3.5916 0.000000 0.000000 
1 1 1   23   17    1 f   25.146   1.9699   75.808   11.604   85.800   16.404   65.800   16.416   26.608   2.6458   23.154   3.0788 3.453791 4.059516 
1 1 1   23   17    2 o   10.500   1.6817   13.427   4.0288   10.900   5.6725   16.000   5.7230   9.3756   2.5116   11.385   2.2084 -2.009650 3.344445 
1 1 1   23   17    3 o   45.187   2.7065  246.240   28.747  206.800   40.547  286.100   40.762   40.755   4.2770   48.344   3.5964 -7.589741 5.588098 
1 1 1   23   17    4 o   34.988   2.3476  147.144   19.284  140.100   27.260  154.200   27.283   33.786   3.4659   35.526   3.2896 -1.739399 4.778444 
1 1 1   23   17    5 o   16.847   1.7335   34.113   6.7979   32.200   9.6480   36.000   9.5797   16.181   2.6142   17.172   2.4303 -0.9912128 3.569358 
1 1 1   23   17    6 o   23.644   1.9253   67.057   10.656   62.900   15.082   71.200   15.058   22.673   2.8822   24.197   2.6804 -1.524004 3.935918 
1 1 1   23   17    7 o   21.912   1.8586   57.597   9.5261   52.700   13.468   62.500   13.476   20.735   2.8242   22.679   2.5613 -1.943729 3.812611 
1 1 1   23   17    8 o   34.297   2.3288  141.504   18.749  151.200   26.509  131.800   26.521   35.165   3.2285   32.719   3.4863 2.446369 4.751553 
1 1 1   23   17    9 o   38.089   2.4914  174.902   22.284  180.400   31.509  169.400   31.520   38.297   3.5238   37.048   3.6503 1.248791 5.073636 
1 1 1   23   17   10 o   27.437   2.0062   90.352   12.908  103.000   18.289   77.800   18.220   29.123   2.6898   25.145   3.1369 3.978666 4.132212 
1 1 1   23   17   11 o   44.765   2.7865  242.879   29.308  261.500   41.472  224.300   41.425   45.922   3.8603   42.323   4.2005 3.599106 5.704883 
1 1 1   23   17   12 o   12.360   1.6258   18.487   4.6303   23.700   6.6218   13.500   6.4770   13.932   2.0763   10.387   2.6362 3.544257 3.355685 
1 1 1   23   17   13 o   26.644   2.0227   85.348   12.631   83.700   17.853   87.000   17.873   26.124   2.9455   26.660   2.8852 -0.5353336 4.123124 
1 1 1   23   17   14 o   11.726   1.7082   16.718   4.5908   14.000   6.5778   19.300   6.4102   10.569   2.6427   12.502   2.2544 -1.932875 3.473592 
1 1 1   23   17   15 o   43.441   2.5290  228.160   25.830  278.900   36.653  178.100   36.407   47.678   3.2755   37.600   4.1707 10.07737 5.303190 
1 1 1   23   17   16 o   37.080   2.3917  166.058   20.830  184.900   29.530  147.400   29.386   38.775   3.2553   34.402   3.6741 4.372803 4.908775 
1 1 1   23   17   17 o   26.875   1.8950   86.737   11.949  110.400   16.994   63.600   16.804   30.192   2.4036   22.603   3.2412 7.589064 4.035172 
1 1 1   23   17   18 o   47.392   2.7379  272.947   30.509  331.000   43.260  215.500   43.034   51.707   3.5648   41.098   4.5084 10.60972 5.747447 
1 1 1   23   17   19 o   8.5169   1.6627   8.9415   3.2239   11.600   4.6596   6.5000   4.4653   9.6535   2.1035   7.3751   2.3078 2.278461 3.122597 
1 1 1   23   17   20 f   15.992   1.6870   30.843   6.2748   35.400   8.9302   26.400   8.8187   17.009   2.2808   14.550   2.6648 2.458861 3.507626 
1 1 1   23   17   21 o   12.662   1.6083   19.419   4.7002   24.100   6.7446   15.000   6.5536   14.019   2.1023   10.917   2.5826 3.101678 3.330117 
1 1 1   23   17   22 o   46.644   2.5950  265.012   28.469  346.300   40.397  184.800   40.128   52.890   3.2502   37.690   4.6046 15.20037 5.636133 
1 1 1   23   17   23 o   5.5365   1.7128   3.6586   2.4676   5.8000   3.3156   1.0000   3.6944   6.8615   1.9528   4.8806   2.0029 1.980894 2.797347 
1 1 1   23   17   24 o   15.716   1.8465   30.042   6.7221   37.100   9.3830   22.600   9.6350   17.344   2.3517   13.266   3.1269 4.078473 3.912546 
1 1 1   23   17   25 o   15.347   2.6656   29.600   9.3092   0.0000   0.0000   29.600   9.3092  ?   ?    15.347   2.6656 0.000000 2.665580 
1 1 1   23   17   26 o   43.828   4.2582  252.000   43.513   0.0000   0.0000  252.000   43.513  ?   ?    43.828   4.2582 0.000000 4.258194 
1 1 1   23   17   27 o   11.308   2.5555   16.300   6.6630   0.0000   0.0000   16.300   6.6630  ?   ?    11.308   2.5555 0.000000 2.555508 
1 1 1   23   17   28 o   12.923   2.5260   21.200   7.4321   0.0000   0.0000   21.200   7.4321  ?   ?    12.923   2.5260 0.000000 2.526047 
1 1 1   23   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   17   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18    0 o   12.190   2.8487   20.300   7.1279   20.300   7.1279   20.300   7.1279   12.190   2.8487   12.190   2.8487 0.000000 0.000000 
1 1 1   23   18    1 o   26.931   2.0398   87.011   12.875   97.000   18.199   77.000   18.219   28.264   2.7621   25.043   3.1506 3.221210 4.189882 
1 1 1   23   18    2 o   46.747   2.8764  264.387   31.598  275.200   44.713  253.600   44.660   47.148   4.0556   45.152   4.2383 1.996326 5.866140 
1 1 1   23   18    3 o   24.661   1.9033   72.896   10.998   66.500   15.489   79.400   15.619   23.321   2.8734   25.580   2.6229 -2.258501 3.890504 
1 1 1   23   18    4 o   28.177   2.0749   95.292   13.708   97.500   19.421   93.100   19.353   28.273   2.9524   27.602   3.0184 0.6717072 4.222313 
1 1 1   23   18    5 o   50.709   3.0626  312.176   36.500  349.700   51.635  274.700   51.602   53.085   4.1522   46.665   4.7490 6.420124 6.308260 
1 1 1   23   18    6 o   17.992   1.7498   38.891   7.3403   39.900   10.430   37.900   10.332   18.066   2.5128   17.587   2.5633 0.4787159 3.589534 
1 1 1   23   18    7 o   10.537   1.6945   13.537   4.0733   8.9000   5.7840   18.100   5.7373   8.5804   2.6168   12.145   2.0750 -3.565008 3.339667 
1 1 1   23   18    8 o   16.334   1.7029   32.094   6.4714   38.200   9.1567   26.000   9.1473   17.728   2.2371   14.452   2.7813 3.275975 3.569367 
1 1 1   23   18    9 o   35.186   2.3258  149.098   19.215  171.000   27.206  127.300   27.142   37.414   3.1076   32.034   3.6535 5.380051 4.796344 
1 1 1   23   18   10 o   34.389   2.2977  142.415   18.551  152.000   26.353  133.000   26.118   35.216   3.2041   32.840   3.4182 2.376122 4.685081 
1 1 1   23   18   11 o   24.444   1.9231   71.766   11.010   85.800   15.590   57.800   15.552   26.591   2.5126   21.599   3.1414 4.992250 4.022598 
1 1 1   23   18   12 o   42.907   2.4672  222.216   24.892  283.300   35.314  161.900   35.091   48.159   3.1222   35.830   4.2291 12.32884 5.256690 
1 1 1   23   18   13 o   53.373   3.1731  348.223   39.811  376.800   56.377  319.800   56.225   54.683   4.4033   50.047   4.8171 4.636734 6.526402 
1 1 1   23   18   14 o   4.9521   1.6085   2.8218   2.1528   1.6000   3.2285   3.8000   2.8888   4.8565   1.9137   5.7359   1.8633 -0.8794141 2.670979 
1 1 1   23   18   15 o   30.147   2.1653  109.498   15.311  109.900   21.696  109.100   21.611   29.886   3.1203   29.776   3.1200 0.1097412 4.412537 
1 1 1   23   18   16 o   68.640   3.6940  583.684   59.654  720.200   84.524  448.200   84.204   75.089   4.7920   57.630   6.2897 17.45853 7.907159 
1 1 1   23   18   17 o   19.938   1.8100   47.841   8.4285   49.500   11.953   46.200   11.886   20.093   2.5789   19.376   2.6687 0.7166595 3.711103 
1 1 1   23   18   18 o   35.960   2.3419  156.309   19.778  177.600   28.030  135.200   27.911   37.994   3.1528   32.885   3.6562 5.108959 4.827790 
1 1 1   23   18   19 o   39.532   2.3028  188.719   21.403  240.000   30.413  138.400   30.127   44.306   2.9234   33.117   3.9291 11.18877 4.897323 
1 1 1   23   18   20 o   47.454   2.8082  274.940   31.328  315.000   44.422  235.300   44.188   50.152   3.7787   42.852   4.4309 7.300415 5.823379 
1 1 1   23   18   21 o   48.067   2.9312  283.592   33.112  346.700   46.867  220.700   46.787   52.497   3.8066   40.981   4.9339 11.51539 6.231678 
1 1 1   23   18   22 o   26.519   1.9066   84.818   11.860  110.500   16.849   59.600   16.696   30.116   2.3889   21.698   3.3677 8.417641 4.128947 
1 1 1   23   18   23 o   6.1126   1.8252   4.5384   2.8357   12.300   3.8966  -4.2000   4.1346   10.001   1.7116   3.8399   1.8016 6.160819 2.485020 
1 1 1   23   18   24 o   20.346   2.6897   51.500   12.606   0.0000   0.0000   51.500   12.606  ?   ?    20.346   2.6897 0.000000 2.689746 
1 1 1   23   18   25 o   38.807   3.7906  193.500   34.293   0.0000   0.0000  193.500   34.293  ?   ?    38.807   3.7906 0.000000 3.790633 
1 1 1   23   18   26 o   9.3525   2.5129   11.100   5.6681   0.0000   0.0000   11.100   5.6681  ?   ?    9.3525   2.5129 0.000000 2.512863 
1 1 1   23   18   27 o   28.125   3.1530  100.500   20.580   0.0000   0.0000  100.500   20.580  ?   ?    28.125   3.1530 0.000000 3.153046 
1 1 1   23   18   28 o   33.640   3.4933  146.100   27.345   0.0000   0.0000  146.100   27.345  ?   ?    33.640   3.4933 0.000000 3.493323 
1 1 1   23   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   18   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19    0 o   15.020   2.7017   29.300   8.6607   29.300   8.6607   29.300   8.6607   15.020   2.7017   15.020   2.7017 0.000000 0.000000 
1 1 1   23   19    1 f   23.856   1.9073   68.276   10.655   74.400   15.098   62.200   15.038   24.742   2.6242   22.527   2.8939 2.215418 3.906585 
1 1 1   23   19    2 f   74.209   4.3420  685.504   75.755  692.300  107.103  678.700  107.164   72.551   6.3146   71.742   6.3928 0.8092804 8.985641 
1 1 1   23   19    3 o   35.426   2.3724  151.101   19.731  154.500   27.898  147.700   27.909   35.481   3.3703   34.651   3.4571 0.8300552 4.828071 
1 1 1   23   19    4 o   49.988   3.0213  303.511   35.496  320.900   50.256  286.200   50.143   50.738   4.2333   47.735   4.5016 3.002659 6.179418 
1 1 1   23   19    5 o   67.703   3.9854  567.103   63.434  573.600   89.690  560.600   89.729   66.468   5.7717   65.625   5.8517 0.8429108 8.219159 
1 1 1   23   19    6 o   49.217   3.0131  294.500   34.849  299.800   49.284  289.200   49.284   48.937   4.3089   48.003   4.3968 0.9341660 6.156137 
1 1 1   23   19    7 o   46.028   2.7197  256.355   29.429  306.200   41.700  206.900   41.537   49.898   3.5625   40.530   4.4113 9.368023 5.670224 
1 1 1   23   19    8 o   5.4634   1.6036   3.6100   2.2042   2.2000   3.1889   4.9000   3.0501   5.0869   1.9290   6.3662   1.8911 -1.279278 2.701368 
1 1 1   23   19    9 o   49.233   2.9475  294.672   34.109  334.200   48.316  255.400   48.159   51.845   3.9769   44.899   4.6076 6.946156 6.086500 
1 1 1   23   19   10 o   35.762   2.3897  154.329   20.064  159.900   28.430  148.800   28.321   36.023   3.3818   34.687   3.5058 1.336704 4.870995 
1 1 1   23   19   11 o   3.8986   1.4410   1.4069   1.7556   1.9000   2.4658   0.9000   2.5002   4.5762   1.7045   4.1301   1.6651 0.4461374 2.382807 
1 1 1   23   19   12 o   12.075   1.6451   17.675   4.5686   20.100   6.5661   15.400   6.3607   12.763   2.2615   11.100   2.4883 1.663032 3.362433 
1 1 1   23   19   13 o   30.240   2.1664  110.150   15.367  113.500   21.732  106.800   21.732   30.403   3.0691   29.444   3.1760 0.9594688 4.416603 
1 1 1   23   19   14 o   32.723   2.1753  128.946   16.713  152.500   23.688  105.600   23.583   35.356   2.8619   29.139   3.4972 6.216976 4.518950 
1 1 1   23   19   15 o   42.794   2.4767  221.432   24.921  270.000   35.398  173.700   35.092   46.903   3.2155   37.140   4.0679 9.762985 5.185246 
1 1 1   23   19   16 o   9.3832   1.7106   10.819   3.6506   10.100   5.2361   11.500   5.0924   9.0039   2.4135   9.5952   2.2810 -0.5912867 3.320890 
1 1 1   23   19   17 o   44.810   2.7380  244.287   28.832  282.400   40.862  206.500   40.687   47.652   3.6594   40.290   4.3453 7.362244 5.680906 
1 1 1   23   19   18 o   39.323   2.4364  187.204   22.512  224.100   31.923  150.700   31.752   42.672   3.1911   34.561   3.9622 8.111176 5.087518 
1 1 1   23   19   19 o   15.630   1.7289   29.522   6.2740   28.100   8.9433   30.900   8.8039   15.028   2.6153   15.825   2.4339 -0.7976942 3.572610 
1 1 1   23   19   20 o   16.840   1.6607   34.184   6.5178   41.500   9.3267   27.200   9.1121   18.444   2.1839   14.738   2.7185 3.706326 3.487083 
1 1 1   23   19   21 o   26.948   1.9870   87.712   12.555  110.300   17.810   65.400   17.701   30.035   2.5349   22.740   3.4009 7.295202 4.241620 
1 1 1   23   19   22 o   25.168   1.6986   76.158   10.036  107.800   14.492   47.000   13.911   29.842   2.0693   19.275   3.1665 10.56751 3.782680 
1 1 1   23   19   23 o   17.347   1.7447   36.436   7.0499   42.700   10.064   30.400   9.8787   18.621   2.3404   15.523   2.7979 3.098186 3.647751 
1 1 1   23   19   24 o   27.665   3.0672   96.000   19.700   0.0000   0.0000   96.000   19.700  ?   ?    27.665   3.0672 0.000000 3.067235 
1 1 1   23   19   25 o   13.206   2.4975   22.000   7.5029   0.0000   0.0000   22.000   7.5029  ?   ?    13.206   2.4975 0.000000 2.497468 
1 1 1   23   19   26 o   30.303   3.2644  116.900   22.990   0.0000   0.0000  116.900   22.990  ?   ?    30.303   3.2644 0.000000 3.264415 
1 1 1   23   19   27 o   33.670   3.4993  146.200   27.415   0.0000   0.0000  146.200   27.415  ?   ?    33.670   3.4993 0.000000 3.499296 
1 1 1   23   19   28 o   6.0674   2.0988   4.1000   3.6612   0.0000   0.0000   4.1000   3.6612  ?   ?    6.0674   2.0988 0.000000 2.098829 
1 1 1   23   19   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   19   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20    0 o   12.025   2.8287   19.800   6.9777   19.800   6.9777   19.800   6.9777   12.025   2.8287   12.025   2.8287 0.000000 0.000000 
1 1 1   23   20    1 o   14.118   1.6867   24.055   5.5120   27.600   7.7891   20.500   7.8011   15.018   2.2669   12.819   2.6641 2.199093 3.498059 
1 1 1   23   20    2 o   40.267   2.6330  196.050   24.899  170.500   35.247  221.500   35.178   36.917   4.1132   42.420   3.5443 -5.502682 5.429585 
1 1 1   23   20    3 o  ?   ?   -2.6764   0.5028  -0.5000   2.1688  -2.8000   0.5169   3.3216   1.4533  ?   ?  0.000000 1.453346 
1 1 1   23   20    4 o   36.073   2.4071  156.901   20.386  156.400   28.871  157.400   28.789   35.620   3.4768   35.745   3.4538 -0.1246567 4.900754 
1 1 1   23   20    5 o   15.726   1.7140   29.792   6.2617   32.800   8.8673   26.800   8.8436   16.373   2.3618   14.703   2.6443 1.669658 3.545518 
1 1 1   23   20    6 o   27.560   2.0520   91.293   13.259   84.400   18.741   98.200   18.760   26.200   3.0885   28.368   2.8387 -2.168346 4.194932 
1 1 1   23   20    7 o   21.657   1.8469   56.346   9.3546   58.100   13.244   54.600   13.215   21.808   2.6245   21.107   2.7143 0.7011509 3.775641 
1 1 1   23   20    8 o   36.545   2.3927  161.117   20.534  175.100   29.073  147.200   29.005   37.754   3.2941   34.453   3.6193 3.300560 4.893877 
1 1 1   23   20    9 o   12.361   1.7636   18.572   5.0021   22.900   8.1922   16.000   6.3162   13.557   2.6540   11.328   2.4338 2.229167 3.601024 
1 1 1   23   20   10 o   26.553   1.9658   84.702   12.238   98.700   17.369   70.900   17.247   28.496   2.6102   23.956   3.1231 4.539904 4.070209 
1 1 1   23   20   11 o   21.262   1.8443   54.350   9.1681   54.200   12.953   54.500   12.978   21.031   2.6684   21.090   2.6654 -0.5971527E-01 3.771571 
1 1 1   23   20   12 o   39.437   2.4434  187.878   22.643  234.600   32.081  141.500   31.962   43.784   3.1234   33.491   4.1289 10.29261 5.177241 
1 1 1   23   20   13 o   96.506   5.3371  1207.18  121.153  1448.30  171.576  967.400  171.097  102.202   7.1545   79.670   9.2679 22.53242 11.70814 
1 1 1   23   20   14 o   23.262   1.9040   65.088   10.367   66.900   14.710   63.300   14.614   23.369   2.7164   22.703   2.7843 0.6660519 3.889891 
1 1 1   23   20   15 o   24.743   1.9237   73.639   11.152   84.000   15.818   63.400   15.724   26.252   2.5852   22.638   3.0165 3.614115 3.972784 
1 1 1   23   20   16 o   62.556   3.3461  481.721   49.249  595.100   69.828  369.500   69.470   68.621   4.3316   52.801   5.6600 15.81979 7.127313 
1 1 1   23   20   17 f   6.3923   1.8031   5.0124   2.8398  -0.8000   4.1566   10.100   3.8888   4.6192   2.0168   9.0266   1.8853 -4.407400 2.760750 
1 1 1   23   20   18 o   59.869   3.2791  442.142   46.181  546.200   65.487  339.200   65.135   65.628   4.2485   50.439   5.5612 15.18913 6.998352 
1 1 1   23   20   19 o   37.145   2.3519  167.308   20.523  198.000   29.091  136.900   28.957   40.044   3.1007   32.891   3.7981 7.153202 4.903099 
1 1 1   23   20   20 o   51.303   2.9145  323.508   35.162  419.200   49.829  228.600   49.624   57.768   3.6720   41.363   5.1953 16.40451 6.361951 
1 1 1   23   20   21 f   11.402   1.6389   15.853   4.2858   20.700   6.1938   11.400   5.9364   12.950   2.0971   9.5156   2.5780 3.434805 3.323211 
1 1 1   23   20   22 o   31.520   1.8900  119.853   14.002  163.100   20.525   82.200   19.151   36.564   2.3903   25.532   3.2502 11.03168 4.034566 
1 1 1   23   20   23 o   20.252   2.6961   51.100   12.573   0.0000   0.0000   51.100   12.573  ?   ?    20.252   2.6961 0.000000 2.696084 
1 1 1   23   20   24 o   12.550   2.4927   19.900   7.1269   0.0000   0.0000   19.900   7.1269  ?   ?    12.550   2.4927 0.000000 2.492714 
1 1 1   23   20   25 o   34.475   3.5939  153.000   28.827   0.0000   0.0000  153.000   28.827  ?   ?    34.475   3.5939 0.000000 3.593874 
1 1 1   23   20   26 o   11.935   2.5996   18.200   7.1191   0.0000   0.0000   18.200   7.1191  ?   ?    11.935   2.5996 0.000000 2.599612 
1 1 1   23   20   27 f   19.653   2.8091   48.900   12.665   0.0000   0.0000   48.900   12.665  ?   ?    19.653   2.8091 0.000000 2.809099 
1 1 1   23   20   28 o   21.823   2.8072   60.200   14.131   0.0000   0.0000   60.200   14.131  ?   ?    21.823   2.8072 0.000000 2.807224 
1 1 1   23   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   20   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21    0 o   11.018   2.8830   17.100   6.4809   17.100   6.4809   17.100   6.4809   11.018   2.8830   11.018   2.8830 0.000000 0.000000 
1 1 1   23   21    1 f   69.150   3.9592  592.916   64.380  680.300   91.143  505.900   90.951   72.687   5.3477   61.616   6.3416 11.07095 8.295393 
1 1 1   23   21    2 o   37.464   2.4632  169.447   21.670  174.000   30.656  164.900   30.635   37.555   3.4972   36.505   3.6007 1.049622 5.019517 
1 1 1   23   21    3 f   27.735   2.0985   92.542   13.642  105.400   19.261   79.600   19.323   29.403   2.8083   25.355   3.3061 4.048006 4.337853 
1 1 1   23   21    4 o   21.979   1.8687   58.047   9.6069   56.400   13.573   59.700   13.599   21.450   2.7426   22.101   2.6591 -0.6514206 3.820072 
1 1 1   23   21    5 o   15.207   1.6011   27.815   5.6631   40.500   8.0856   15.600   7.9343   18.326   1.8959   11.149   2.9631 7.176713 3.517716 
1 1 1   23   21    6 o   10.288   1.6343   12.903   3.8376   15.300   5.5451   10.700   5.3166   11.115   2.1906   9.2662   2.4078 1.848558 3.255237 
1 1 1   23   21    7 o   39.613   2.6045  189.950   24.227  211.500   34.223  168.300   34.302   41.393   3.5352   36.653   4.0297 4.739857 5.360628 
1 1 1   23   21    8 o   13.009   1.6915   20.491   5.0732   24.500   7.1387   16.400   7.2111   14.135   2.2111   11.431   2.7123 2.704161 3.499353 
1 1 1   23   21    9 o   31.348   2.1819  118.323   16.051  126.300   22.737  110.400   22.661   32.109   3.0348   29.918   3.2605 2.191031 4.454289 
1 1 1   23   21   10 o   35.460   2.3362  151.696   19.452  164.900   27.566  138.600   27.452   36.636   3.2191   33.431   3.5309 3.204319 4.778070 
1 1 1   23   21   11 o   9.2390   1.7503   10.509   3.6788   2.6000   5.2221   18.300   5.1833   6.1568   2.4314   12.248   1.8498 -6.091223 3.055071 
1 1 1   23   21   12 o   52.915   3.1212  342.402   38.827  370.100   55.058  315.000   54.764   54.169   4.3408   49.659   4.7272 4.509933 6.417919 
1 1 1   23   21   13 o   43.536   2.6500  229.918   27.114  265.500   38.416  194.600   38.273   46.325   3.5386   39.257   4.1936 7.067757 5.487066 
1 1 1   23   21   14 o   75.207   4.0824  708.656   72.229  867.500  102.421  551.500  101.875   81.589   5.3457   62.987   6.9661 18.60226 8.780766 
1 1 1   23   21   15 o   25.435   1.9455   77.844   11.596   95.600   16.426   60.200   16.374   28.038   2.5073   21.959   3.2565 6.079477 4.109890 
1 1 1   23   21   16 o   41.207   2.6327  206.430   25.483  219.600   36.066  193.300   36.012   41.945   3.6785   39.176   3.9465 2.768078 5.394993 
1 1 1   23   21   17 o   58.583   3.2771  423.590   45.152  507.900   64.011  340.100   63.699   63.180   4.3164   50.623   5.4126 12.55719 6.923013 
1 1 1   23   21   18 o   18.724   1.7489   42.283   7.6432   48.300   10.870   36.400   10.749   19.861   2.3642   17.089   2.7576 2.772324 3.632361 
1 1 1   23   21   19 o   23.682   1.9272   67.740   10.684   77.200   15.117   58.300   15.101   25.075   2.5904   21.592   3.0464 3.483231 3.998805 
1 1 1   23   21   20 f   48.212   2.6690  284.600   30.267  353.300   43.107  217.800   42.507   53.106   3.4563   40.853   4.4798 12.25344 5.658129 
1 1 1   23   21   21 o   29.457   2.0589  105.144   14.231  124.200   20.377   87.000   19.884   31.723   2.7474   26.266   3.2772 5.456924 4.276484 
1 1 1   23   21   22 o   8.7390   2.3668   9.6000   5.0046   0.0000   0.0000   9.6000   5.0046  ?   ?    8.7390   2.3668 0.000000 2.366768 
1 1 1   23   21   23 o   14.554   2.5167   26.600   8.3362   0.0000   0.0000   26.600   8.3362  ?   ?    14.554   2.5167 0.000000 2.516710 
1 1 1   23   21   24 o   9.1875   2.4012   10.700   5.2675   0.0000   0.0000   10.700   5.2675  ?   ?    9.1875   2.4012 0.000000 2.401244 
1 1 1   23   21   25 o   19.021   2.6865   45.500   11.730   0.0000   0.0000   45.500   11.730  ?   ?    19.021   2.6865 0.000000 2.686489 
1 1 1   23   21   26 o   8.5122   2.5101   9.1000   5.3894   0.0000   0.0000   9.1000   5.3894  ?   ?    8.5122   2.5101 0.000000 2.510059 
1 1 1   23   21   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   28 o   23.578   3.0340   71.100   16.500   0.0000   0.0000   71.100   16.500  ?   ?    23.578   3.0340 0.000000 3.033993 
1 1 1   23   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   21   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22    0 o   5.5461   2.7272   5.4000   4.2585   5.4000   4.2585   5.4000   4.2585   5.5461   2.7272   5.5461   2.7272 0.000000 0.000000 
1 1 1   23   22    1 o   54.286   3.2736  360.595   41.767  344.800   59.058  376.400   59.077   51.998   4.8665   54.530   4.6318 -2.532391 6.718357 
1 1 1   23   22    2 o   35.719   2.3976  153.958   20.106  161.600   28.419  146.300   28.448   36.231   3.3600   34.375   3.5561 1.856369 4.892412 
1 1 1   23   22    3 o   55.440   3.3413  376.655   43.538  414.100   61.568  339.200   61.577   57.231   4.5945   51.338   5.1488 5.893005 6.900717 
1 1 1   23   22    4 o   25.707   2.0295   79.500   12.220   74.200   17.365   84.700   17.200   24.540   3.0634   26.323   2.8105 -1.783960 4.157303 
1 1 1   23   22    5 o   16.474   1.7114   32.676   6.5604   36.900   9.3049   28.500   9.2510   17.386   2.3247   15.156   2.6831 2.230272 3.550127 
1 1 1   23   22    6 f   18.281   1.7616   40.200   7.5102   41.400   10.621   39.000   10.621   18.384   2.5124   17.811   2.6022 0.5731564 3.617100 
1 1 1   23   22    7 f   37.369   2.4630  168.750   21.612  172.400   30.564  165.100   30.564   37.340   3.5074   36.495   3.5932 0.8453217 5.021235 
1 1 1   23   22    8 o   33.351   2.2777  134.130   17.830  144.200   25.240  124.100   25.191   34.266   3.1548   31.659   3.4243 2.607168 4.656004 
1 1 1   23   22    9 o   15.318   1.6479   28.263   5.8667   32.700   8.3809   24.000   8.2151   16.367   2.2264   13.892   2.5999 2.474857 3.422905 
1 1 1   23   22   10 o   25.511   2.0051   78.320   11.982   75.700   17.009   80.900   16.881   24.804   2.9627   25.696   2.8289 -0.8925438 4.096339 
1 1 1   23   22   11 o   47.887   2.9109  279.421   32.760  291.600   46.483  267.400   46.179   48.187   4.1249   46.013   4.2999 2.173328 5.958521 
1 1 1   23   22   12 o   37.917   2.4405  173.926   21.735  189.100   30.814  158.900   30.663   39.130   3.3677   35.688   3.6918 3.441826 4.997079 
1 1 1   23   22   13 o   32.882   2.2644  130.539   17.475  139.500   24.728  121.600   24.699   33.661   3.1475   31.304   3.3958 2.357330 4.630136 
1 1 1   23   22   14 o   20.840   1.8236   52.274   8.8838   61.200   12.582   43.400   12.546   22.411   2.4157   18.678   2.9418 3.732847 3.806524 
1 1 1   23   22   15 o   6.8734   1.6917   5.8609   2.7271   6.5000   3.8246   5.2000   3.8896   7.2796   2.1054   6.6734   2.1616 0.6061988 3.017494 
1 1 1   23   22   16 o   38.520   2.4957  180.296   22.579  191.700   32.007  169.000   31.856   39.205   3.4940   36.657   3.7323 2.548046 5.112534 
1 1 1   23   22   17 o   27.771   1.9931   93.064   12.983  117.300   18.413   69.100   18.309   30.997   2.5378   23.404   3.4134 7.593016 4.253410 
1 1 1   23   22   18 o   30.877   2.1138  115.336   15.319  137.500   21.745   93.500   21.584   33.444   2.7786   27.247   3.4308 6.197611 4.414834 
1 1 1   23   22   19 o   47.929   2.5714  280.649   28.997  371.300   41.297  192.500   40.723   54.645   3.2146   38.275   4.5978 16.36968 5.610086 
1 1 1   23   22   20 o   23.922   1.7219   68.923   9.6617   95.600   14.036   44.900   13.320   28.055   2.1347   18.832   3.1034 9.223310 3.766724 
1 1 1   23   22   21 o   24.145   2.9289   72.900   16.357   0.0000   0.0000   72.900   16.357  ?   ?    24.145   2.9289 0.000000 2.928899 
1 1 1   23   22   22 o   7.3603   2.2753   6.6000   4.3556   0.0000   0.0000   6.6000   4.3556  ?   ?    7.3603   2.2753 0.000000 2.275333 
1 1 1   23   22   23 o   7.4919   2.2749   6.9000   4.3781   0.0000   0.0000   6.9000   4.3781  ?   ?    7.4919   2.2749 0.000000 2.274852 
1 1 1   23   22   24 o   24.537   2.9763   76.100   16.892   0.0000   0.0000   76.100   16.892  ?   ?    24.537   2.9763 0.000000 2.976297 
1 1 1   23   22   25 f   17.124   2.6585   37.000   10.402   0.0000   0.0000   37.000   10.402  ?   ?    17.124   2.6585 0.000000 2.658531 
1 1 1   23   22   26 o   17.371   2.6610   38.100   10.568   0.0000   0.0000   38.100   10.568  ?   ?    17.371   2.6610 0.000000 2.661016 
1 1 1   23   22   27 o   29.201   3.3246  110.000   22.516   0.0000   0.0000  110.000   22.516  ?   ?    29.201   3.3246 0.000000 3.324647 
1 1 1   23   22   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   22   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23    0 o   17.596   2.6925   39.400   10.410   39.400   10.410   39.400   10.410   17.596   2.6925   17.596   2.6925 0.000000 0.000000 
1 1 1   23   23    1 o   40.215   2.5883  195.749   24.448  196.800   34.592  194.700   34.558   39.810   3.7230   39.587   3.7412 0.2237320 5.278010 
1 1 1   23   23    2 o   20.433   1.8156   50.192   8.6690   54.200   12.273   46.200   12.247   21.074   2.5160   19.370   2.7553 1.704466 3.731166 
1 1 1   23   23    3 o   49.853   2.9603  302.635   34.692  343.200   49.132  262.300   48.993   52.460   3.9962   45.411   4.6338 7.049133 6.118970 
1 1 1   23   23    4 o   52.694   3.1518  339.434   39.038  367.000   55.275  312.000   55.142   53.965   4.3753   49.432   4.7839 4.533058 6.482916 
1 1 1   23   23    5 o   35.481   2.3454  151.906   19.540  135.500   27.596  168.400   27.670   33.021   3.5974   37.034   3.1954 -4.013397 4.811614 
1 1 1   23   23    6 o   31.279   2.1425  117.761   15.730  129.700   22.329  106.000   22.162   32.570   2.9348   29.300   3.2584 3.269842 4.385210 
1 1 1   23   23    7 o   52.208   3.1983  333.676   39.239  350.500   55.450  316.800   55.534   52.613   4.5067   49.796   4.7816 2.817242 6.570708 
1 1 1   23   23    8 o   62.677   3.7332  486.702   55.003  492.600   77.775  480.800   77.796   61.510   5.4097   60.683   5.4886 0.8268890 7.706462 
1 1 1   23   23    9 o   63.384   3.6883  497.606   54.966  530.600   77.905  464.900   77.563   64.020   5.1982   59.508   5.5851 4.512421 7.629852 
1 1 1   23   23   10 o   20.952   1.8485   52.832   9.0517   53.900   12.911   51.800   12.693   20.955   2.6700   20.533   2.6821 0.4218292 3.784508 
1 1 1   23   23   11 o   69.126   4.0554  598.092   65.906  632.600   93.285  563.700   93.127   69.153   5.7652   64.773   6.1628 4.379463 8.439076 
1 1 1   23   23   12 o   16.743   1.7328   33.798   6.7516   34.000   9.5859   33.600   9.5111   16.606   2.5240   16.508   2.5198 0.9890175E-01 3.566502 
1 1 1   23   23   13 o   22.383   1.8810   60.341   9.8500   67.400   13.938   53.300   13.922   23.479   2.5553   20.734   2.9247 2.745140 3.883762 
1 1 1   23   23   14 o   22.697   1.8810   62.074   9.9902   71.000   14.149   53.200   14.107   24.100   2.5237   20.681   2.9743 3.419214 3.900721 
1 1 1   23   23   15 o   14.670   1.7031   26.048   5.7897   27.500   8.1941   24.600   8.1816   14.906   2.4102   14.040   2.5622 0.8657255 3.517642 
1 1 1   23   23   16 o   19.428   1.7728   45.533   8.0433   51.900   11.436   39.300   11.315   20.581   2.3981   17.753   2.7911 2.828100 3.679795 
1 1 1   23   23   17 o   12.415   1.6880   18.760   4.8202   17.100   6.8380   20.400   6.7958   11.645   2.5567   12.799   2.3347 -1.153094 3.462270 
1 1 1   23   23   18 o   17.499   1.7180   37.011   7.0072   51.200   9.9591   23.100   9.8609   20.508   2.0856   13.410   3.1651 7.098114 3.790421 
1 1 1   23   23   19 o   16.363   1.8391   32.540   6.9830   30.500   10.260   34.300   9.5314   15.517   2.9068   16.612   2.5079 -1.094745 3.839165 
1 1 1   23   23   20 o   11.710   2.4531   17.300   6.5662   0.0000   0.0000   17.300   6.5662  ?   ?    11.710   2.4531 0.000000 2.453099 
1 1 1   23   23   21 o   26.226   2.9921   86.400   18.198   0.0000   0.0000   86.400   18.198  ?   ?    26.226   2.9921 0.000000 2.992104 
1 1 1   23   23   22 o   8.6746   2.2985   9.5000   4.7838   0.0000   0.0000   9.5000   4.7838  ?   ?    8.6746   2.2985 0.000000 2.298550 
1 1 1   23   23   23 o   12.680   2.5326   20.400   7.3177   0.0000   0.0000   20.400   7.3177  ?   ?    12.680   2.5326 0.000000 2.532631 
1 1 1   23   23   24 o   4.0759   1.7479  -0.1000   3.0120   0.0000   0.0000  -0.1000   3.0120  ?   ?    4.0759   1.7479 0.000000 1.747935 
1 1 1   23   23   25 o   11.462   2.5678   16.800   6.7777   0.0000   0.0000   16.800   6.7777  ?   ?    11.462   2.5678 0.000000 2.567806 
1 1 1   23   23   26 o   25.121   2.9938   80.300   17.410   0.0000   0.0000   80.300   17.410  ?   ?    25.121   2.9938 0.000000 2.993821 
1 1 1   23   23   27 o   21.153   2.7880   56.800   13.587   0.0000   0.0000   56.800   13.587  ?   ?    21.153   2.7880 0.000000 2.788040 
1 1 1   23   23   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   23   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24    0 o   48.859   4.3900  297.100   49.708  297.100   49.708  297.100   49.708   48.859   4.3900   48.859   4.3900 0.000000 0.000000 
1 1 1   23   24    1 o   13.427   1.6685   21.800   5.1762   23.000   7.3203   20.600   7.3203   13.651   2.3561   12.870   2.4987 0.7801437 3.434407 
1 1 1   23   24    2 o   7.6754   1.7131   7.2952   3.0261   4.8000   4.3197   9.7000   4.2407   6.6199   2.2804   8.8290   2.0700 -2.209074 3.079760 
1 1 1   23   24    3 o   26.046   1.9825   81.574   12.102   88.100   17.149   75.100   17.080   26.859   2.7423   24.699   2.9894 2.160315 4.056739 
1 1 1   23   24    4 o   37.436   2.4757  169.500   21.761  167.600   30.775  171.400   30.775   36.750   3.5923   37.190   3.5474 -0.4395332 5.048649 
1 1 1   23   24    5 o   30.461   2.1520  111.772   15.380  117.200   21.808  106.400   21.694   30.903   3.0273   29.375   3.1781 1.528273 4.389189 
1 1 1   23   24    6 o   39.795   2.5737  191.897   24.055  208.500   34.022  175.300   34.017   41.027   3.5467   37.407   3.9087 3.619122 5.277984 
1 1 1   23   24    7 o   31.349   2.1933  118.478   16.134  127.400   22.846  109.600   22.789   32.217   3.0389   29.761   3.2983 2.456694 4.484808 
1 1 1   23   24    8 o   27.292   2.0583   89.700   13.167   89.700   18.709   89.700   18.535   27.005   2.9837   27.017   2.9534 -0.1103592E-01 4.198246 
1 1 1   23   24    9 o   37.614   2.4446  171.193   21.595  180.500   30.634  162.000   30.447   38.188   3.4339   36.070   3.6237 2.118103 4.992255 
1 1 1   23   24   10 o   33.353   2.2702  134.368   17.774  149.100   25.163  119.700   25.109   34.818   3.0927   30.997   3.4912 3.820669 4.664042 
1 1 1   23   24   11 o   8.2297   1.6575   8.3622   3.1096   11.800   4.4564   5.1000   4.3411   9.7516   2.0023   6.7435   2.2868 3.008144 3.039544 
1 1 1   23   24   12 o   26.548   2.0042   84.977   12.472   92.700   17.664   77.300   17.612   27.489   2.7585   24.973   3.0500 2.516375 4.112363 
1 1 1   23   24   13 o   54.226   3.2454  363.353   41.365  384.700   58.634  342.200   58.366   54.617   4.5888   51.211   4.8857 3.406036 6.702797 
1 1 1   23   24   14 o   23.082   1.8774   64.252   10.144   78.500   14.370   50.100   14.322   25.360   2.4295   19.972   3.1405 5.387733 3.970523 
1 1 1   23   24   15 o   26.505   2.0309   84.946   12.615   87.200   17.855   82.700   17.825   26.543   2.8957   25.807   2.9798 0.7359447 4.155025 
1 1 1   23   24   16 o   27.945   1.9894   94.384   13.042  111.300   18.565   77.900   18.326   30.105   2.6380   24.920   3.1874 5.185631 4.137490 
1 1 1   23   24   17 o   6.2218   1.7789   4.7546   2.7449   0.9000   3.9656   8.3000   3.8032   4.9930   2.0648   8.1457   1.9934 -3.152718 2.870048 
1 1 1   23   24   18 o   19.782   1.6528   47.171   7.6502   65.300   11.071   30.600   10.584   23.184   2.0431   15.509   2.9985 7.675277 3.628407 
1 1 1   23   24   19 o   9.5790   2.3626   11.600   5.3106   0.0000   0.0000   11.600   5.3106  ?   ?    9.5790   2.3626 0.000000 2.362571 
1 1 1   23   24   20 o   15.881   2.5493   31.600   9.2368   0.0000   0.0000   31.600   9.2368  ?   ?    15.881   2.5493 0.000000 2.549286 
1 1 1   23   24   21 o   13.107   2.5023   21.700   7.4623   0.0000   0.0000   21.700   7.4623  ?   ?    13.107   2.5023 0.000000 2.502272 
1 1 1   23   24   22 o   12.728   2.4829   20.500   7.1944   0.0000   0.0000   20.500   7.1944  ?   ?    12.728   2.4829 0.000000 2.482876 
1 1 1   23   24   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   24 o   13.921   2.6785   24.700   8.4853   0.0000   0.0000   24.700   8.4853  ?   ?    13.921   2.6785 0.000000 2.678506 
1 1 1   23   24   25 o   24.782   2.9881   78.100   17.133   0.0000   0.0000   78.100   17.133  ?   ?    24.782   2.9881 0.000000 2.988084 
1 1 1   23   24   26 o   3.7171   1.6238  -0.5000   2.6976   0.0000   0.0000  -0.5000   2.6976  ?   ?    3.7171   1.6238 0.000000 1.623765 
1 1 1   23   24   27 o   16.451   2.6153   34.500   9.8194   0.0000   0.0000   34.500   9.8194  ?   ?    16.451   2.6153 0.000000 2.615268 
1 1 1   23   24   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   24   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25    0 o   36.018   3.5280  160.600   29.345  160.600   29.345  160.600   29.345   36.018   3.5280   36.018   3.5280 0.000000 0.000000 
1 1 1   23   25    1 o   30.646   2.1803  113.203   15.675  110.200   22.180  116.200   22.157   29.891   3.1917   30.740   3.0945 -0.8492641 4.445560 
1 1 1   23   25    2 o   46.685   2.8989  265.545   31.800  251.200   44.964  279.900   44.979   44.570   4.3268   47.240   4.0719 -2.670422 5.941560 
1 1 1   23   25    3 o   45.009   2.8205  246.497   29.825  248.100   42.212  244.900   42.146   44.460   4.0658   44.156   4.0885 0.3038521 5.765969 
1 1 1   23   25    4 o   30.333   2.1553  110.876   15.337  118.600   21.724  103.200   21.657   31.092   2.9960   28.896   3.2291 2.195637 4.404875 
1 1 1   23   25    5 o   24.289   1.9496   70.998   11.088   72.000   15.697   70.000   15.664   24.224   2.7955   23.868   2.8346 0.3555183 3.981196 
1 1 1   23   25    6 o   25.576   1.9754   78.733   11.837   88.600   16.755   68.900   16.726   26.937   2.6692   23.590   3.0759 3.346771 4.072552 
1 1 1   23   25    7 o   16.866   1.7268   34.290   6.7802   35.900   9.6198   32.700   9.5579   17.090   2.4541   16.264   2.5743 0.8260174 3.556653 
1 1 1   23   25    8 o   32.519   2.2670  127.809   17.300  123.300   24.489  132.300   24.442   31.517   3.3414   32.721   3.2045 -1.203079 4.629669 
1 1 1   23   25    9 o   28.510   2.0275   97.937   13.560  119.800   19.227   76.300   19.128   31.344   2.6218   24.695   3.3680 6.649019 4.268149 
1 1 1   23   25   10 o   12.578   1.7843   19.275   5.1508   25.700   7.1895   12.500   7.3831   14.468   2.1714   10.017   2.9333 4.450790 3.649589 
1 1 1   23   25   11 o   5.0996   1.6810   2.9679   2.3481   2.7000   4.0857   3.1000   2.8692   5.6891   2.1772   5.3573   1.8577 0.3317451 2.862105 
1 1 1   23   25   12 o   34.718   2.3590  146.294   19.225  147.600   27.257  145.000   27.120   34.380   3.4021   34.065   3.4175 0.3146400 4.822235 
1 1 1   23   25   13 o   24.064   1.9375   69.933   10.917   64.800   15.339   75.200   15.539   22.840   2.9103   24.706   2.7080 -1.866081 3.975287 
1 1 1   23   25   14 o   41.569   2.6837  211.654   26.202  210.300   37.111  213.000   37.000   40.628   3.9168   40.920   3.8753 -0.2925262 5.509938 
1 1 1   23   25   15 o   26.808   2.0152   86.979   12.664   94.100   17.999   80.000   17.820   27.586   2.8021   25.313   3.0422 2.273161 4.136032 
1 1 1   23   25   16 o   27.032   2.0619   88.595   13.063   89.000   18.585   88.200   18.364   26.715   2.9978   26.605   2.9740 0.1105709 4.222702 
1 1 1   23   25   17 o   38.970   3.7933  194.400   34.465   0.0000   0.0000  194.400   34.465  ?   ?    38.970   3.7933 0.000000 3.793304 
1 1 1   23   25   18 o   13.193   2.4844   21.900   7.4558   0.0000   0.0000   21.900   7.4558  ?   ?    13.193   2.4844 0.000000 2.484410 
1 1 1   23   25   19 o   22.303   2.7709   62.200   14.278   0.0000   0.0000   62.200   14.278  ?   ?    22.303   2.7709 0.000000 2.770893 
1 1 1   23   25   20 o   23.613   2.8498   70.000   15.569   0.0000   0.0000   70.000   15.569  ?   ?    23.613   2.8498 0.000000 2.849805 
1 1 1   23   25   21 o   19.315   2.6690   46.800   11.848   0.0000   0.0000   46.800   11.848  ?   ?    19.315   2.6690 0.000000 2.669043 
1 1 1   23   25   22 f   6.5382   2.1594   5.0000   3.8740   0.0000   0.0000   5.0000   3.8740  ?   ?    6.5382   2.1594 0.000000 2.159383 
1 1 1   23   25   23 o   36.298   3.6971  171.300   31.246   0.0000   0.0000  171.300   31.246  ?   ?    36.298   3.6971 0.000000 3.697050 
1 1 1   23   25   24 o   24.247   2.9642   74.700   16.618   0.0000   0.0000   74.700   16.618  ?   ?    24.247   2.9642 0.000000 2.964155 
1 1 1   23   25   25 o   8.3929   2.4350   8.9000   5.1088   0.0000   0.0000   8.9000   5.1088  ?   ?    8.3929   2.4350 0.000000 2.435015 
1 1 1   23   25   26 o   19.035   2.8006   46.400   12.212   0.0000   0.0000   46.400   12.212  ?   ?    19.035   2.8006 0.000000 2.800627 
1 1 1   23   25   27 o   11.500   2.9095   17.500   7.9070   0.0000   0.0000   17.500   7.9070  ?   ?    11.500   2.9095 0.000000 2.909465 
1 1 1   23   25   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   25   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26    0 o   47.267   4.2904  278.700   46.980  278.700   46.980  278.700   46.980   47.267   4.2904   47.267   4.2904 0.000000 0.000000 
1 1 1   23   26    1 o   52.808   3.2495  342.989   40.325  332.600   57.135  353.300   56.922   50.809   4.8198   52.537   4.6358 -1.728493 6.687388 
1 1 1   23   26    2 o   15.977   1.7086   30.794   6.3460   28.100   8.9640   33.500   8.9852   15.038   2.6195   16.518   2.3716 -1.480149 3.533563 
1 1 1   23   26    3 o   19.427   1.7893   45.450   8.1160   45.600   11.490   45.300   11.465   19.256   2.5929   19.191   2.5968 0.6570053E-01 3.669613 
1 1 1   23   26    4 o   35.774   2.4048  155.005   20.197  161.200   28.551  148.800   28.574   36.045   3.3943   34.541   3.5540 1.504848 4.914523 
1 1 1   23   26    5 o   9.9426   1.6562   12.099   3.7517   8.9000   5.2649   15.400   5.3475   8.4965   2.4739   11.152   2.1079 -2.655278 3.250185 
1 1 1   23   26    6 o   25.750   1.9868   79.936   11.988   85.400   16.975   74.500   16.932   26.375   2.7667   24.539   2.9835 1.835979 4.068948 
1 1 1   23   26    7 o   38.703   2.5704  182.245   23.358  176.200   33.157  188.200   32.910   37.406   3.8068   38.772   3.6370 -1.366074 5.264940 
1 1 1   23   26    8 o   21.665   1.8731   56.612   9.4883   51.900   13.436   61.300   13.401   20.450   2.8607   22.346   2.5877 -1.895914 3.857378 
1 1 1   23   26    9 o   23.451   1.8930   66.310   10.393   73.900   14.738   58.800   14.659   24.556   2.5802   21.758   2.9275 2.798569 3.902272 
1 1 1   23   26   10 o   29.217   2.1230  103.241   14.547  107.600   20.595   98.900   20.550   29.491   2.9991   28.201   3.1392 1.289658 4.341627 
1 1 1   23   26   11 o   20.051   1.8246   48.549   8.5444   49.200   12.089   47.900   12.079   19.952   2.6299   19.670   2.6695 0.2824898 3.747321 
1 1 1   23   26   12 o   36.531   2.4531  162.649   21.038  162.300   29.706  163.000   29.799   35.890   3.5518   35.966   3.5553 -0.7574463E-01 5.025464 
1 1 1   23   26   13 o   28.098   2.0989   95.677   13.825   87.100   19.526  104.300   19.578   26.356   3.2033   29.017   2.8960 -2.661549 4.318334 
1 1 1   23   26   14 o   20.061   1.8151   48.663   8.5053   56.900   12.093   40.600   11.964   21.519   2.4220   17.967   2.9202 3.551985 3.793916 
1 1 1   23   26   15 o   28.938   2.0170  101.411   13.696  129.800   19.470   73.600   19.271   32.520   2.5560   24.014   3.5014 8.506378 4.335094 
1 1 1   23   26   16 o   12.960   2.5581   21.200   7.5506   0.0000   0.0000   21.200   7.5506  ?   ?    12.960   2.5581 0.000000 2.558102 
1 1 1   23   26   17 o   15.603   2.6986   30.700   9.5832   0.0000   0.0000   30.700   9.5832  ?   ?    15.603   2.6986 0.000000 2.698576 
1 1 1   23   26   18 o   11.952   2.6311   18.200   7.2247   0.0000   0.0000   18.200   7.2247  ?   ?    11.952   2.6311 0.000000 2.631122 
1 1 1   23   26   19 o   8.5554   2.4409   9.2000   5.1733   0.0000   0.0000   9.2000   5.1733  ?   ?    8.5554   2.4409 0.000000 2.440859 
1 1 1   23   26   20 o   19.822   2.7897   49.500   12.696   0.0000   0.0000   49.500   12.696  ?   ?    19.822   2.7897 0.000000 2.789677 
1 1 1   23   26   21 o   7.1986   2.3846   6.1000   4.7227   0.0000   0.0000   6.1000   4.7227  ?   ?    7.1986   2.3846 0.000000 2.384562 
1 1 1   23   26   22 o   12.573   2.7341   20.300   7.8858   0.0000   0.0000   20.300   7.8858  ?   ?    12.573   2.7341 0.000000 2.734082 
1 1 1   23   26   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   26 o   11.266   2.6727   16.600   7.0029   0.0000   0.0000   16.600   7.0029  ?   ?    11.266   2.6727 0.000000 2.672728 
1 1 1   23   26   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   26   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27    0 o   5.0038   2.5081   4.4000   3.6305   4.4000   3.6305   4.4000   3.6305   5.0038   2.5081   5.0038   2.5081 0.000000 0.000000 
1 1 1   23   27    1 o   30.592   2.2889  113.407   16.415  140.000   23.146   86.500   23.282   33.742   2.9342   26.047   3.9057 7.694788 4.885123 
1 1 1   23   27    2 o   25.886   1.9911   80.829   12.077   76.000   17.043   85.700   17.117   24.776   2.9725   26.398   2.7881 -1.622366 4.075418 
1 1 1   23   27    3 o   18.291   1.7605   40.352   7.5101   41.700   10.612   39.000   10.629   18.404   2.5072   17.757   2.6131 0.6470451 3.621408 
1 1 1   23   27    4 o   25.640   2.0021   79.347   12.026   84.800   17.011   73.900   17.003   26.253   2.7867   24.405   3.0145 1.847563 4.105210 
1 1 1   23   27    5 o   45.178   2.8492  249.953   30.240  245.000   42.778  254.900   42.753   43.838   4.1832   44.796   4.0867 -0.9572144 5.848110 
1 1 1   23   27    6 o   10.669   1.6707   13.910   4.0707   16.700   5.8547   11.300   5.6637   11.590   2.2201   9.4882   2.4948 2.101489 3.339575 
1 1 1   23   27    7 o   13.451   1.6771   21.943   5.2112   22.600   7.4078   21.300   7.3323   13.476   2.4167   13.060   2.4679 0.4156322 3.454138 
1 1 1   23   27    8 o   11.993   1.6769   17.514   4.6189   14.600   6.3910   20.700   6.6832   10.757   2.5541   12.916   2.2744 -2.158131 3.419962 
1 1 1   23   27    9 f   23.296   1.8920   65.534   10.318   58.400   14.525   72.800   14.660   21.651   2.9151   24.335   2.5910 -2.683468 3.900172 
1 1 1   23   27   10 o   16.032   1.7947   31.170   6.6777   42.200   9.3934   19.900   9.4947   18.581   2.1825   12.454   3.2087 6.126803 3.880580 
1 1 1   23   27   11 o   21.365   1.8446   55.160   9.2149   44.500   12.978   66.000   13.087   18.799   3.0261   23.203   2.4244 -4.403105 3.877466 
1 1 1   23   27   12 o   33.133   2.2905  133.561   17.811  143.000   25.240  124.200   25.136   33.828   3.1978   31.366   3.4508 2.461304 4.704616 
1 1 1   23   27   13 o   33.818   2.3391  139.471   18.565  142.200   26.398  136.800   26.114   33.586   3.3741   32.916   3.4092 0.6708298 4.796593 
1 1 1   23   27   14 o   38.773   2.5958  184.791   23.629  180.900   33.594  188.600   33.242   37.498   3.8485   38.402   3.7122 -0.9033890 5.347099 
1 1 1   23   27   15 o   24.015   2.9671   72.400   16.468   0.0000   0.0000   72.400   16.468  ?   ?    24.015   2.9671 0.000000 2.967105 
1 1 1   23   27   16 o   1.8094   0.9025  -4.1000   1.5580   0.0000   0.0000  -4.1000   1.5580  ?   ?    1.8094   0.9025 0.000000 0.9024518 
1 1 1   23   27   17 o   40.615   4.0033  215.300   37.895   0.0000   0.0000  215.300   37.895  ?   ?    40.615   4.0033 0.000000 4.003283 
1 1 1   23   27   18 o   15.082   2.6127   28.700   8.9678   0.0000   0.0000   28.700   8.9678  ?   ?    15.082   2.6127 0.000000 2.612716 
1 1 1   23   27   19 o   34.827   3.5632  156.000   28.890   0.0000   0.0000  156.000   28.890  ?   ?    34.827   3.5632 0.000000 3.563172 
1 1 1   23   27   20 f   5.9640   2.1149   3.8000   3.7323   0.0000   0.0000   3.8000   3.7323  ?   ?    5.9640   2.1149 0.000000 2.114943 
1 1 1   23   27   21 o   15.495   2.6927   30.500   9.4948   0.0000   0.0000   30.500   9.4948  ?   ?    15.495   2.6927 0.000000 2.692650 
1 1 1   23   27   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   26 o   11.991   2.7756   19.100   7.7039   0.0000   0.0000   19.100   7.7039  ?   ?    11.991   2.7756 0.000000 2.775566 
1 1 1   23   27   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   27   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28    0 o   18.057   2.7332   41.600   10.864   41.600   10.864   41.600   10.864   18.057   2.7332   18.057   2.7332 0.000000 0.000000 
1 1 1   23   28    1 o   39.769   2.4228  192.188   22.643  153.600   31.935  231.200   32.111   34.713   3.9672   43.210   3.1692 -8.496426 5.077624 
1 1 1   23   28    2 o   17.853   1.7632   38.500   7.3357   38.300   10.364   38.700   10.385   17.588   2.5714   17.684   2.5614 -0.9602737E-01 3.629454 
1 1 1   23   28    3 o   19.246   1.8757   44.816   8.4161   34.700   11.972   54.700   11.834   16.527   3.1832   21.125   2.4157 -4.597906 3.995981 
1 1 1   23   28    4 o   26.580   2.0431   85.458   12.725   83.100   18.027   87.800   17.966   25.854   3.0091   26.628   2.9043 -0.7738132 4.182080 
1 1 1   23   28    5 o   26.004   2.0700   81.880   12.606   95.500   17.775   68.100   17.879   27.848   2.7385   23.225   3.3575 4.622547 4.332675 
1 1 1   23   28    6 o   53.178   3.2943  351.729   41.164  377.300   58.182  326.100   58.247   53.796   4.6251   49.554   5.0483 4.241844 6.846682 
1 1 1   23   28    7 o   5.9009   1.6350   4.2875   2.3568   1.1000   3.0648   8.9000   3.6867   4.5548   1.8410   8.4491   1.8946 -3.894308 2.641724 
1 1 1   23   28    8 o   18.395   1.8026   40.937   7.7293   42.400   10.799   39.400   11.068   18.513   2.5369   17.774   2.7240 0.7394485 3.722371 
1 1 1   23   28    9 o   29.884   2.2349  108.569   15.657   92.100   22.223  124.800   22.062   26.905   3.5873   31.708   2.9816 -4.803122 4.664612 
1 1 1   23   28   10 o   21.631   1.8815   56.633   9.5149   59.000   13.504   54.300   13.408   21.818   2.6774   20.877   2.7896 0.9407787 3.866560 
1 1 1   23   28   11 o   28.341   2.1293   97.621   14.145  104.800   20.046   90.500   19.964   28.991   2.9701   26.798   3.2193 2.192970 4.380085 
1 1 1   23   28   12 o   21.067   2.0621   54.098   10.127   35.100   14.539   72.000   14.113   16.300   3.8404   24.163   2.5101 -7.863497 4.588005 
1 1 1   23   28   13 o   62.137   6.0349  551.700   87.433   0.0000   0.0000  551.700   87.433  ?   ?    62.137   6.0349 0.000000 6.034929 
1 1 1   23   28   14 o   18.179   2.6769   41.400   11.147   0.0000   0.0000   41.400   11.147  ?   ?    18.179   2.6769 0.000000 2.676898 
1 1 1   23   28   15 o   18.465   2.7123   42.800   11.474   0.0000   0.0000   42.800   11.474  ?   ?    18.465   2.7123 0.000000 2.712323 
1 1 1   23   28   16 o   13.118   2.5759   21.800   7.6944   0.0000   0.0000   21.800   7.6944  ?   ?    13.118   2.5759 0.000000 2.575907 
1 1 1   23   28   17 o   28.624   3.2105  104.000   21.326   0.0000   0.0000  104.000   21.326  ?   ?    28.624   3.2105 0.000000 3.210509 
1 1 1   23   28   18 o   17.201   2.7595   37.400   10.829   0.0000   0.0000   37.400   10.829  ?   ?    17.201   2.7595 0.000000 2.759452 
1 1 1   23   28   19 o   35.030   3.6044  158.700   29.389   0.0000   0.0000  158.700   29.389  ?   ?    35.030   3.6044 0.000000 3.604374 
1 1 1   23   28   20 o   14.544   2.7988   27.100   9.2631   0.0000   0.0000   27.100   9.2631  ?   ?    14.544   2.7988 0.000000 2.798845 
1 1 1   23   28   21 o   5.6151   2.1366   2.8000   3.9205   0.0000   0.0000   2.8000   3.9205  ?   ?    5.6151   2.1366 0.000000 2.136605 
1 1 1   23   28   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   25 o   8.1330   2.4602   8.5000   5.1277   0.0000   0.0000   8.5000   5.1277  ?   ?    8.1330   2.4602 0.000000 2.460196 
1 1 1   23   28   26 f   2.8790   1.4110  -6.2000   3.2505   0.0000   0.0000  -6.2000   3.2505  ?   ?    2.8790   1.4110 0.000000 1.410975 
1 1 1   23   28   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   28   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29    0 o  ?   ?  -10.4000   0.7035 -10.4000   0.7035 -10.4000   0.7035  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   23   29    1 o   35.406   2.3796  152.575   19.779  161.500   28.011  143.700   27.932   35.923   3.3405   33.742   3.5594 2.180668 4.881431 
1 1 1   23   29    2 f   33.011   2.2955  132.452   17.783  138.700   25.145  126.200   25.151   33.326   3.2361   31.678   3.4164 1.647623 4.705758 
1 1 1   23   29    3 o   42.523   2.5289  220.699   25.278  183.800   35.558  258.400   35.943   37.845   4.0415   45.461   3.3722 -7.615875 5.263631 
1 1 1   23   29    4 o   17.574   1.6709   37.274   6.8504   28.500   9.5433   46.600   9.8394   15.040   2.7898   19.534   2.1698 -4.494024 3.534247 
1 1 1   23   29    5 o   16.478   1.6919   32.833   6.4897   29.800   9.0117   36.100   9.3535   15.456   2.5586   17.101   2.3809 -1.644279 3.495023 
1 1 1   23   29    6 o   6.9200   1.6445   5.9571   2.6476   3.5000   3.5342   9.1000   3.9970   5.7823   2.0572   8.5261   2.0169 -2.743788 2.880963 
1 1 1   23   29    7 o   19.471   1.8231   45.908   8.2845   41.300   11.727   50.500   11.705   18.142   2.8297   20.217   2.5056 -2.074499 3.779585 
1 1 1   23   29    8 o   15.230   1.7269   28.159   6.1008   30.700   8.6992   25.700   8.5582   15.716   2.4218   14.289   2.6335 1.427656 3.577750 
1 1 1   23   29    9 o   45.849   2.8787  260.251   31.009  248.200   43.675  272.500   44.033   43.561   4.3021   45.847   4.1109 -2.285744 5.950462 
1 1 1   23   29   10 o   24.748   1.9713   74.309   11.425   80.700   16.275   68.100   16.042   25.487   2.7476   23.286   2.9862 2.200542 4.057936 
1 1 1   23   29   11 o   31.709   2.2645  122.743   16.844  123.200   23.996  122.300   23.650   31.204   3.3071   31.113   3.2680 0.9093285E-01 4.649350 
1 1 1   23   29   12 o   22.874   2.8293   65.500   14.957   0.0000   0.0000   65.500   14.957  ?   ?    22.874   2.8293 0.000000 2.829333 
1 1 1   23   29   13 o   10.369   2.5825   13.700   6.2996   0.0000   0.0000   13.700   6.2996  ?   ?    10.369   2.5825 0.000000 2.582526 
1 1 1   23   29   14 o   16.951   2.7134   36.200   10.495   0.0000   0.0000   36.200   10.495  ?   ?    16.951   2.7134 0.000000 2.713439 
1 1 1   23   29   15 o   4.6823   1.9554   0.6000   3.6066   0.0000   0.0000   0.6000   3.6066  ?   ?    4.6823   1.9554 0.000000 1.955379 
1 1 1   23   29   16 o   22.052   2.8232   61.100   14.364   0.0000   0.0000   61.100   14.364  ?   ?    22.052   2.8232 0.000000 2.823191 
1 1 1   23   29   17 f   5.9201   2.2362   3.2000   4.2745   0.0000   0.0000   3.2000   4.2745  ?   ?    5.9201   2.2362 0.000000 2.236173 
1 1 1   23   29   18 o   13.214   2.5758   22.200   7.7484   0.0000   0.0000   22.200   7.7484  ?   ?    13.214   2.5758 0.000000 2.575807 
1 1 1   23   29   19 o   3.5739   1.6433  -2.3000   3.1823   0.0000   0.0000  -2.3000   3.1823  ?   ?    3.5739   1.6433 0.000000 1.643332 
1 1 1   23   29   20 o   14.061   2.6722   25.300   8.5483   0.0000   0.0000   25.300   8.5483  ?   ?    14.061   2.6722 0.000000 2.672157 
1 1 1   23   29   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   25 o   5.8655   2.3208   2.8000   4.7663   0.0000   0.0000   2.8000   4.7663  ?   ?    5.8655   2.3208 0.000000 2.320789 
1 1 1   23   29   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   29   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30    0 o   6.1283   2.6314   6.4000   3.9001   6.4000   3.9001   6.4000   3.9001   6.1283   2.6314   6.1283   2.6314 0.000000 0.000000 
1 1 1   23   30    1 o   37.103   2.4851  168.500   21.647  171.900   30.614  165.100   30.614   36.805   3.5673   36.005   3.6513 0.7994728 5.104646 
1 1 1   23   30    2 o  ?   ?   -2.9196   0.5818  -3.3000   0.6174   0.1000   1.7394  ?   ?    3.1861   1.3458 0.000000 1.345848 
1 1 1   23   30    3 o   17.496   1.7110   37.038   6.9785   30.300   9.7550   44.100   9.9872   15.500   2.7667   18.942   2.2786 -3.441719 3.584217 
1 1 1   23   30    4 o   30.614   2.2044  114.082   15.829   89.600   22.377  138.600   22.394   26.401   3.6903   33.426   2.8648 -7.025162 4.671723 
1 1 1   23   30    5 o   10.789   1.7604   14.317   4.3303   8.8000   6.1336   19.800   6.1143   8.5133   2.7100   12.636   2.1245 -4.123004 3.443473 
1 1 1   23   30    6 o   23.215   1.9841   65.447   10.772   59.500   15.363   71.200   15.110   21.709   3.0835   23.941   2.7210 -2.232048 4.112439 
1 1 1   23   30    7 o   21.748   1.8823   57.344   9.5711   52.900   13.526   61.800   13.545   20.531   2.8682   22.321   2.6197 -1.789263 3.884509 
1 1 1   23   30    8 o   4.8842   1.7180   2.5311   2.4581  -2.2000   3.6394   6.5000   3.3334   3.9241   1.7865   7.2177   1.9217 -3.293668 2.623816 
1 1 1   23   30    9 o   14.239   1.7460   24.706   5.7477   21.800   8.1363   27.600   8.1207   13.090   2.7211   14.876   2.3929 -1.786557 3.623564 
1 1 1   23   30   10 o   26.900   3.0092   90.900   18.787   0.0000   0.0000   90.900   18.787  ?   ?    26.900   3.0092 0.000000 3.009223 
1 1 1   23   30   11 o   19.314   2.6930   46.700   11.948   0.0000   0.0000   46.700   11.948  ?   ?    19.314   2.6930 0.000000 2.693038 
1 1 1   23   30   12 o   19.568   2.7209   48.000   12.233   0.0000   0.0000   48.000   12.233  ?   ?    19.568   2.7209 0.000000 2.720938 
1 1 1   23   30   13 o   11.702   2.6837   17.500   7.2579   0.0000   0.0000   17.500   7.2579  ?   ?    11.702   2.6837 0.000000 2.683714 
1 1 1   23   30   14 o   13.583   2.6283   23.400   8.1252   0.0000   0.0000   23.400   8.1252  ?   ?    13.583   2.6283 0.000000 2.628290 
1 1 1   23   30   15 f   19.408   2.7360   47.400   12.191   0.0000   0.0000   47.400   12.191  ?   ?    19.408   2.7360 0.000000 2.736045 
1 1 1   23   30   16 o   18.807   2.7244   44.600   11.746   0.0000   0.0000   44.600   11.746  ?   ?    18.807   2.7244 0.000000 2.724353 
1 1 1   23   30   17 o   11.435   2.6649   16.800   7.0623   0.0000   0.0000   16.800   7.0623  ?   ?    11.435   2.6649 0.000000 2.664857 
1 1 1   23   30   18 o   21.211   2.8150   57.000   13.752   0.0000   0.0000   57.000   13.752  ?   ?    21.211   2.8150 0.000000 2.815034 
1 1 1   23   30   19 o   14.602   2.5980   27.200   8.6296   0.0000   0.0000   27.200   8.6296  ?   ?    14.602   2.5980 0.000000 2.597969 
1 1 1   23   30   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   25 o   3.7568   1.7210  -2.1000   3.4458   0.0000   0.0000  -2.1000   3.4458  ?   ?    3.7568   1.7210 0.000000 1.720979 
1 1 1   23   30   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   30   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31    0 o   12.706   2.9350   22.200   7.6635   22.200   7.6635   22.200   7.6635   12.706   2.9350   12.706   2.9350 0.000000 0.000000 
1 1 1   23   31    1 o   14.381   1.7396   25.175   5.7871   29.900   8.1626   20.400   8.2061   15.532   2.2946   12.633   2.8220 2.899120 3.637146 
1 1 1   23   31    2 o   6.7656   1.7878   5.6986   2.8991   6.4000   3.8686   4.8000   4.3785   7.2079   2.1269   6.5970   2.2945 0.6108131 3.128682 
1 1 1   23   31    3 o   8.2855   1.8500   8.5778   3.5281   3.0000   5.0020   14.100   4.9770   6.1522   2.3944   10.631   2.0570 -4.478744 3.156595 
1 1 1   23   31    4 o   37.875   2.4503  175.848   21.798  196.700   30.979  155.400   30.676   39.446   3.3577   34.712   3.8048 4.733982 5.074541 
1 1 1   23   31    5 f   28.691   2.1370  100.251   14.374  103.700   20.323   96.800   20.332   28.745   3.0403   27.696   3.1657 1.049604 4.389194 
1 1 1   23   31    6 o   35.959   2.4554  158.669   20.725  174.000   29.292  143.300   29.327   37.051   3.3854   33.311   3.7962 3.740551 5.086460 
1 1 1   23   31    7 o   10.058   1.7909   12.514   4.0977   10.100   5.6975   15.100   5.8976   8.9609   2.5633   10.937   2.3534 -1.975606 3.479788 
1 1 1   23   31    8 o   27.196   2.0830   90.046   13.275   90.500   18.852   89.600   18.698   26.825   3.0291   26.695   3.0192 0.1298561 4.276824 
1 1 1   23   31    9 o   8.1139   2.3712   8.2000   4.8290   0.0000   0.0000   8.2000   4.8290  ?   ?    8.1139   2.3712 0.000000 2.371247 
1 1 1   23   31   10 o   32.498   3.3708  134.300   25.491   0.0000   0.0000  134.300   25.491  ?   ?    32.498   3.3708 0.000000 3.370826 
1 1 1   23   31   11 o   1.6814   0.8460  -4.7000   1.5193   0.0000   0.0000  -4.7000   1.5193  ?   ?    1.6814   0.8460 0.000000 0.8460004 
1 1 1   23   31   12 o   7.1728   2.3444   6.1000   4.5708   0.0000   0.0000   6.1000   4.5708  ?   ?    7.1728   2.3444 0.000000 2.344445 
1 1 1   23   31   13 o   13.085   2.6365   21.800   7.8650   0.0000   0.0000   21.800   7.8650  ?   ?    13.085   2.6365 0.000000 2.636507 
1 1 1   23   31   14 o   19.609   2.7657   48.500   12.450   0.0000   0.0000   48.500   12.450  ?   ?    19.609   2.7657 0.000000 2.765694 
1 1 1   23   31   15 o   17.950   2.7533   40.800   11.298   0.0000   0.0000   40.800   11.298  ?   ?    17.950   2.7533 0.000000 2.753335 
1 1 1   23   31   16 o   30.198   3.2987  117.200   23.140   0.0000   0.0000  117.200   23.140  ?   ?    30.198   3.2987 0.000000 3.298746 
1 1 1   23   31   17 o   6.1824   2.3097   3.7000   4.5343   0.0000   0.0000   3.7000   4.5343  ?   ?    6.1824   2.3097 0.000000 2.309661 
1 1 1   23   31   18 o   11.739   2.5959   17.800   7.0046   0.0000   0.0000   17.800   7.0046  ?   ?    11.739   2.5959 0.000000 2.595877 
1 1 1   23   31   19 o   25.594   3.0814   85.100   18.248   0.0000   0.0000   85.100   18.248  ?   ?    25.594   3.0814 0.000000 3.081363 
1 1 1   23   31   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   24 o  ?   ?  -10.9000   1.2491   0.0000   0.0000 -10.9000   1.2491  ?   ?   ?   ?  0.000000      ? 
1 1 1   23   31   25 o   7.4786   2.6080   7.0000   5.6587   0.0000   0.0000   7.0000   5.6587  ?   ?    7.4786   2.6080 0.000000 2.608045 
1 1 1   23   31   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   31   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32    0 o   5.9460   2.7495   6.2000   4.2582   6.2000   4.2582   6.2000   4.2582   5.9460   2.7495   5.9460   2.7495 0.000000 0.000000 
1 1 1   23   32    1 o   27.252   2.0832   90.389   13.304   98.100   18.829   82.700   18.801   28.024   2.8866   25.558   3.1842 2.465792 4.297862 
1 1 1   23   32    2 o   31.557   2.1966  121.428   16.266  137.600   23.092  105.500   22.917   33.175   2.9796   28.750   3.4442 4.424862 4.554173 
1 1 1   23   32    3 o   18.724   1.7586   42.494   7.6844   55.200   10.913   30.000   10.822   21.216   2.2109   15.272   3.1066 5.943431 3.812995 
1 1 1   23   32    4 o   20.941   1.8790   53.243   9.1926   52.300   12.954   54.200   13.048   20.438   2.7542   20.826   2.7179 -0.3885441 3.869441 
1 1 1   23   32    5 o   7.7459   1.7784   7.4959   3.1840   6.3000   4.7130   8.5000   4.3186   7.2920   2.3805   8.2245   2.1861 -0.9325314 3.232029 
1 1 1   23   32    6 o   36.438   2.4854  163.169   21.258  152.600   30.090  173.700   30.035   34.378   3.7684   36.919   3.4866 -2.540154 5.133901 
1 1 1   23   32    7 o   11.610   2.5098   17.100   6.6802   0.0000   0.0000   17.100   6.6802  ?   ?    11.610   2.5098 0.000000 2.509825 
1 1 1   23   32    8 o   4.0926   1.6667   0.8000   2.5339   0.0000   0.0000   0.8000   2.5339  ?   ?    4.0926   1.6667 0.000000 1.666719 
1 1 1   23   32    9 o   16.685   2.6244   35.000   9.9985   0.0000   0.0000   35.000   9.9985  ?   ?    16.685   2.6244 0.000000 2.624426 
1 1 1   23   32   10 o   2.9235   1.3450  -1.6000   2.1360   0.0000   0.0000  -1.6000   2.1360  ?   ?    2.9235   1.3450 0.000000 1.345023 
1 1 1   23   32   11 o   14.769   2.7652   27.800   9.2894   0.0000   0.0000   27.800   9.2894  ?   ?    14.769   2.7652 0.000000 2.765236 
1 1 1   23   32   12 o   8.8497   2.5301   9.9000   5.5525   0.0000   0.0000   9.9000   5.5525  ?   ?    8.8497   2.5301 0.000000 2.530108 
1 1 1   23   32   13 o   14.516   2.7305   26.900   9.0162   0.0000   0.0000   26.900   9.0162  ?   ?    14.516   2.7305 0.000000 2.730485 
1 1 1   23   32   14 o   12.555   2.6217   20.200   7.5215   0.0000   0.0000   20.200   7.5215  ?   ?    12.555   2.6217 0.000000 2.621688 
1 1 1   23   32   15 o   14.980   2.7442   28.800   9.3492   0.0000   0.0000   28.800   9.3492  ?   ?    14.980   2.7442 0.000000 2.744154 
1 1 1   23   32   16 o   9.2897   2.5123   11.100   5.6438   0.0000   0.0000   11.100   5.6438  ?   ?    9.2897   2.5123 0.000000 2.512325 
1 1 1   23   32   17 o   8.4248   2.5753   9.0000   5.5975   0.0000   0.0000   9.0000   5.5975  ?   ?    8.4248   2.5753 0.000000 2.575266 
1 1 1   23   32   18 o   19.328   2.7667   48.300   12.267   0.0000   0.0000   48.300   12.267  ?   ?    19.328   2.7667 0.000000 2.766725 
1 1 1   23   32   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   24 o   9.0819   2.5709   11.200   5.7623   0.0000   0.0000   11.200   5.7623  ?   ?    9.0819   2.5709 0.000000 2.570877 
1 1 1   23   32   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   32   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33    0 o   6.7322   2.8364   7.7000   4.5458   7.7000   4.5458   7.7000   4.5458   6.7322   2.8364   6.7322   2.8364 0.000000 0.000000 
1 1 1   23   33    1 o   52.594   3.2978  349.453   40.749  365.300   57.622  333.600   57.633   52.019   4.7431   49.342   5.0162 2.676918 6.903570 
1 1 1   23   33    2 o   16.166   1.8047   31.840   6.7717   26.300   9.5684   37.400   9.5849   14.321   2.9283   17.345   2.4049 -3.023970 3.789248 
1 1 1   23   33    3 o   34.994   2.3835  150.291   19.579  136.300   27.631  164.400   27.746   32.495   3.6649   35.997   3.3010 -3.501453 4.932294 
1 1 1   23   33    4 o   44.193   2.7807  242.539   28.870  261.300   41.120  224.300   40.543   44.812   3.9255   41.201   4.2271 3.610580 5.768695 
1 1 1   23   33    5 o   26.685   3.0399   89.900   18.813   0.0000   0.0000   89.900   18.813  ?   ?    26.685   3.0399 0.000000 3.039933 
1 1 1   23   33    6 o   19.374   2.7338   47.200   12.160   0.0000   0.0000   47.200   12.160  ?   ?    19.374   2.7338 0.000000 2.733848 
1 1 1   23   33    7 o   22.454   2.8173   63.400   14.609   0.0000   0.0000   63.400   14.609  ?   ?    22.454   2.8173 0.000000 2.817329 
1 1 1   23   33    8 o   9.9806   2.4777   12.700   5.8124   0.0000   0.0000   12.700   5.8124  ?   ?    9.9806   2.4777 0.000000 2.477736 
1 1 1   23   33    9 o   29.699   3.2413  112.500   22.362   0.0000   0.0000  112.500   22.362  ?   ?    29.699   3.2413 0.000000 3.241315 
1 1 1   23   33   10 o   26.246   3.1056   87.700   18.874   0.0000   0.0000   87.700   18.874  ?   ?    26.246   3.1056 0.000000 3.105628 
1 1 1   23   33   11 o   16.237   2.8146   33.700   10.400   0.0000   0.0000   33.700   10.400  ?   ?    16.237   2.8146 0.000000 2.814554 
1 1 1   23   33   12 o   33.672   3.5686  148.100   27.942   0.0000   0.0000  148.100   27.942  ?   ?    33.672   3.5686 0.000000 3.568583 
1 1 1   23   33   13 f   21.699   2.8354   60.000   14.181   0.0000   0.0000   60.000   14.181  ?   ?    21.699   2.8354 0.000000 2.835415 
1 1 1   23   33   14 o   25.614   3.0923   84.800   18.325   0.0000   0.0000   84.800   18.325  ?   ?    25.614   3.0923 0.000000 3.092292 
1 1 1   23   33   15 o   3.6236   1.6527  -1.9000   3.1322   0.0000   0.0000  -1.9000   3.1322  ?   ?    3.6236   1.6527 0.000000 1.652675 
1 1 1   23   33   16 o   18.864   2.7803   46.100   12.014   0.0000   0.0000   46.100   12.014  ?   ?    18.864   2.7803 0.000000 2.780323 
1 1 1   23   33   17 o   24.278   3.0914   78.000   17.321   0.0000   0.0000   78.000   17.321  ?   ?    24.278   3.0914 0.000000 3.091424 
1 1 1   23   33   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   23 f   4.8712   2.1123   0.0000   4.4950   0.0000   0.0000   0.0000   4.4950  ?   ?    4.8712   2.1123 0.000000 2.112303 
1 1 1   23   33   24 o   17.849   2.9337   44.100   11.935   0.0000   0.0000   44.100   11.935  ?   ?    17.849   2.9337 0.000000 2.933721 
1 1 1   23   33   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   33   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34    0 o   20.562   2.8458   53.900   13.062   53.900   13.062   53.900   13.062   20.562   2.8458   20.562   2.8458 0.000000 0.000000 
1 1 1   23   34    1 o   12.199   1.6167   18.168   4.5424   12.200   6.2387   24.900   6.6265   9.7752   2.6405   14.198   2.0347 -4.422825 3.333474 
1 1 1   23   34    2 o   23.575   2.0084   67.816   11.074   56.000   15.705   79.500   15.617   20.841   3.3013   25.246   2.6597 -4.404852 4.239462 
1 1 1   23   34    3 o   46.385   4.5342  290.300   49.029   0.0000   0.0000  290.300   49.029  ?   ?    46.385   4.5342 0.000000 4.534228 
1 1 1   23   34    4 o   13.577   2.5835   23.400   7.9798   0.0000   0.0000   23.400   7.9798  ?   ?    13.577   2.5835 0.000000 2.583467 
1 1 1   23   34    5 o   36.799   3.7478  176.500   32.112   0.0000   0.0000  176.500   32.112  ?   ?    36.799   3.7478 0.000000 3.747823 
1 1 1   23   34    6 o   30.747   3.2982  121.200   23.572   0.0000   0.0000  121.200   23.572  ?   ?    30.747   3.2982 0.000000 3.298223 
1 1 1   23   34    7 o   12.698   2.4883   20.500   7.1944   0.0000   0.0000   20.500   7.1944  ?   ?    12.698   2.4883 0.000000 2.488343 
1 1 1   23   34    8 o   11.267   2.7065   16.400   7.1107   0.0000   0.0000   16.400   7.1107  ?   ?    11.267   2.7065 0.000000 2.706494 
1 1 1   23   34    9 o   25.340   3.0242   82.100   17.738   0.0000   0.0000   82.100   17.738  ?   ?    25.340   3.0242 0.000000 3.024216 
1 1 1   23   34   10 o   3.1027   1.4880  -4.4000   3.1388   0.0000   0.0000  -4.4000   3.1388  ?   ?    3.1027   1.4880 0.000000 1.487985 
1 1 1   23   34   11 o   9.9763   2.6414   12.900   6.3205   0.0000   0.0000   12.900   6.3205  ?   ?    9.9763   2.6414 0.000000 2.641380 
1 1 1   23   34   12 o   11.815   2.7919   18.300   7.6659   0.0000   0.0000   18.300   7.6659  ?   ?    11.815   2.7919 0.000000 2.791863 
1 1 1   23   34   13 o   24.042   2.9878   75.100   16.597   0.0000   0.0000   75.100   16.597  ?   ?    24.042   2.9878 0.000000 2.987848 
1 1 1   23   34   14 o  ?   ?  -10.0000   1.8274   0.0000   0.0000 -10.0000   1.8274  ?   ?   ?   ?  0.000000      ? 
1 1 1   23   34   15 o   13.712   2.7968   24.900   8.7491   0.0000   0.0000   24.900   8.7491  ?   ?    13.712   2.7968 0.000000 2.796792 
1 1 1   23   34   16 o   15.425   2.7534   31.400   9.6613   0.0000   0.0000   31.400   9.6613  ?   ?    15.425   2.7534 0.000000 2.753397 
1 1 1   23   34   17 o   10.162   2.6098   13.800   6.2954   0.0000   0.0000   13.800   6.2954  ?   ?    10.162   2.6098 0.000000 2.609833 
1 1 1   23   34   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   34   23 o   4.0201   1.7073   0.3000   2.8231   0.0000   0.0000   0.3000   2.8231  ?   ?    4.0201   1.7073 0.000000 1.707252 
1 1 1   23   34   24 o   9.0333   2.7563   11.300   6.4159   0.0000   0.0000   11.300   6.4159  ?   ?    9.0333   2.7563 0.000000 2.756282 
1 1 1   23   34   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35    0 o   27.835   3.1769   98.300   20.178   98.300   20.178   98.300   20.178   27.835   3.1769   27.835   3.1769 0.000000 0.000000 
1 1 1   23   35    1 o   19.710   2.7179   49.200   12.313   0.0000   0.0000   49.200   12.313  ?   ?    19.710   2.7179 0.000000 2.717879 
1 1 1   23   35    2 o   10.006   2.6376   12.900   6.3205   0.0000   0.0000   12.900   6.3205  ?   ?    10.006   2.6376 0.000000 2.637619 
1 1 1   23   35    3 o   40.481   4.0703  219.800   38.381   0.0000   0.0000  219.800   38.381  ?   ?    40.481   4.0703 0.000000 4.070340 
1 1 1   23   35    4 o   11.667   2.5633   17.500   6.8692   0.0000   0.0000   17.500   6.8692  ?   ?    11.667   2.5633 0.000000 2.563295 
1 1 1   23   35    5 o   21.985   2.8439   61.600   14.417   0.0000   0.0000   61.600   14.417  ?   ?    21.985   2.8439 0.000000 2.843851 
1 1 1   23   35    6 o   11.636   2.7298   17.600   7.3713   0.0000   0.0000   17.600   7.3713  ?   ?    11.636   2.7298 0.000000 2.729762 
1 1 1   23   35    7 o   17.946   2.8182   41.400   11.549   0.0000   0.0000   41.400   11.549  ?   ?    17.946   2.8182 0.000000 2.818239 
1 1 1   23   35    8 o   8.6777   2.7403   9.5000   6.2812   0.0000   0.0000   9.5000   6.2812  ?   ?    8.6777   2.7403 0.000000 2.740277 
1 1 1   23   35    9 o   34.266   3.6684  157.500   29.221   0.0000   0.0000  157.500   29.221  ?   ?    34.266   3.6684 0.000000 3.668372 
1 1 1   23   35   10 o   17.293   2.8305   38.900   11.158   0.0000   0.0000   38.900   11.158  ?   ?    17.293   2.8305 0.000000 2.830467 
1 1 1   23   35   11 f   11.569   2.6676   17.600   7.1383   0.0000   0.0000   17.600   7.1383  ?   ?    11.569   2.6676 0.000000 2.667579 
1 1 1   23   35   12 o   2.5877   1.2868  -7.5000   3.0698   0.0000   0.0000  -7.5000   3.0698  ?   ?    2.5877   1.2868 0.000000 1.286764 
1 1 1   23   35   13 o   21.037   2.8727   58.100   13.897   0.0000   0.0000   58.100   13.897  ?   ?    21.037   2.8727 0.000000 2.872741 
1 1 1   23   35   14 o   20.444   2.9381   55.600   13.776   0.0000   0.0000   55.600   13.776  ?   ?    20.444   2.9381 0.000000 2.938061 
1 1 1   23   35   15 o   4.6653   1.9746   0.5000   3.7563   0.0000   0.0000   0.5000   3.7563  ?   ?    4.6653   1.9746 0.000000 1.974604 
1 1 1   23   35   16 o   20.010   2.9207   53.800   13.394   0.0000   0.0000   53.800   13.394  ?   ?    20.010   2.9207 0.000000 2.920654 
1 1 1   23   35   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   35   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36    3 o   23.105   2.9685   69.200   15.821   0.0000   0.0000   69.200   15.821  ?   ?    23.105   2.9685 0.000000 2.968502 
1 1 1   23   36    4 o   2.2984   1.1107  -2.9000   1.8285   0.0000   0.0000  -2.9000   1.8285  ?   ?    2.2984   1.1107 0.000000 1.110682 
1 1 1   23   36    5 o   22.956   2.9508   68.500   15.625   0.0000   0.0000   68.500   15.625  ?   ?    22.956   2.9508 0.000000 2.950787 
1 1 1   23   36    6 o   4.8689   2.0869   0.1000   4.2893   0.0000   0.0000   0.1000   4.2893  ?   ?    4.8689   2.0869 0.000000 2.086880 
1 1 1   23   36    7 o  ?   ?  -12.8000   1.3496   0.0000   0.0000 -12.8000   1.3496  ?   ?   ?   ?  0.000000      ? 
1 1 1   23   36    8 o   8.7796   2.6376  10.0000   5.9089   0.0000   0.0000  10.0000   5.9089  ?   ?    8.7796   2.6376 0.000000 2.637646 
1 1 1   23   36    9 o   14.189   2.8444   26.700   9.1986   0.0000   0.0000   26.700   9.1986  ?   ?    14.189   2.8444 0.000000 2.844371 
1 1 1   23   36   10 f   17.285   2.9204   39.700   11.495   0.0000   0.0000   39.700   11.495  ?   ?    17.285   2.9204 0.000000 2.920363 
1 1 1   23   36   11 o   11.504   2.5539   17.500   6.7566   0.0000   0.0000   17.500   6.7566  ?   ?    11.504   2.5539 0.000000 2.553890 
1 1 1   23   36   12 o   6.9545   2.5959   5.2000   5.7255   0.0000   0.0000   5.2000   5.7255  ?   ?    6.9545   2.5959 0.000000 2.595929 
1 1 1   23   36   13 o   17.597   2.8738   41.500   11.529   0.0000   0.0000   41.500   11.529  ?   ?    17.597   2.8738 0.000000 2.873807 
1 1 1   23   36   14 o   8.4068   2.5920   9.3000   5.6565   0.0000   0.0000   9.3000   5.6565  ?   ?    8.4068   2.5920 0.000000 2.592000 
1 1 1   23   36   15 o   6.3026   2.3799   4.1000   4.8408   0.0000   0.0000   4.1000   4.8408  ?   ?    6.3026   2.3799 0.000000 2.379913 
1 1 1   23   36   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   36   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37    6 o   8.4528   2.7350   9.2000   6.2278   0.0000   0.0000   9.2000   6.2278  ?   ?    8.4528   2.7350 0.000000 2.734955 
1 1 1   23   37    7 o   10.851   2.8325   15.900   7.3352   0.0000   0.0000   15.900   7.3352  ?   ?    10.851   2.8325 0.000000 2.832453 
1 1 1   23   37    8 o   23.278   3.1634   73.300   16.938   0.0000   0.0000   73.300   16.938  ?   ?    23.278   3.1634 0.000000 3.163417 
1 1 1   23   37    9 o   20.522   2.9531   56.400   13.899   0.0000   0.0000   56.400   13.899  ?   ?    20.522   2.9531 0.000000 2.953083 
1 1 1   23   37   10 o   25.600   3.2488   89.700   19.197   0.0000   0.0000   89.700   19.197  ?   ?    25.600   3.2488 0.000000 3.248842 
1 1 1   23   37   11 o   14.595   2.7325   28.500   9.0711   0.0000   0.0000   28.500   9.0711  ?   ?    14.595   2.7325 0.000000 2.732482 
1 1 1   23   37   12 o   13.614   2.8424   25.200   8.8427   0.0000   0.0000   25.200   8.8427  ?   ?    13.614   2.8424 0.000000 2.842404 
1 1 1   23   37   13 o   10.163   2.8457   14.200   7.1003   0.0000   0.0000   14.200   7.1003  ?   ?    10.163   2.8457 0.000000 2.845686 
1 1 1   23   37   14 o   19.146   2.9838   50.100   13.050   0.0000   0.0000   50.100   13.050  ?   ?    19.146   2.9838 0.000000 2.983770 
1 1 1   23   37   15 o   16.983   2.8870   39.400   11.164   0.0000   0.0000   39.400   11.164  ?   ?    16.983   2.8870 0.000000 2.887011 
1 1 1   23   37   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   37   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38    8 o   18.101   2.8979   44.200   11.968   0.0000   0.0000   44.200   11.968  ?   ?    18.101   2.8979 0.000000 2.897855 
1 1 1   23   38    9 o   27.463   3.4205  105.700   21.701   0.0000   0.0000  105.700   21.701  ?   ?    27.463   3.4205 0.000000 3.420527 
1 1 1   23   38   10 o   6.9007   2.5610   5.3000   5.5564   0.0000   0.0000   5.3000   5.5564  ?   ?    6.9007   2.5610 0.000000 2.560953 
1 1 1   23   38   11 o   10.660   2.5370   15.300   6.2937   0.0000   0.0000   15.300   6.2937  ?   ?    10.660   2.5370 0.000000 2.536994 
1 1 1   23   38   12 o   12.392   2.7607   21.000   7.8713   0.0000   0.0000   21.000   7.8713  ?   ?    12.392   2.7607 0.000000 2.760675 
1 1 1   23   38   13 o   15.553   2.8844   33.100   10.203   0.0000   0.0000   33.100   10.203  ?   ?    15.553   2.8844 0.000000 2.884446 
1 1 1   23   38   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   38   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   39   11 o   11.761   2.6776   18.800   7.2695   0.0000   0.0000   18.800   7.2695  ?   ?    11.761   2.6776 0.000000 2.677558 
1 1 1   23   39   12 o   10.538   2.9718   15.600   7.7148   0.0000   0.0000   15.600   7.7148  ?   ?    10.538   2.9718 0.000000 2.971782 
1 1 1   23   39   13 o   4.7049   2.0714  -0.6000   4.4659   0.0000   0.0000  -0.6000   4.4659  ?   ?    4.7049   2.0714 0.000000 2.071365 
1 1 1   23   39   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   40   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   41    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   41    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   41    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   23   41    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0    0 o  109.319   8.8774  1480.80  225.684  1480.80  225.684  1480.80  225.684  109.319   8.8774  109.319   8.8774 0.000000 0.000000 
1 1 1   24    0    1 o   82.104   4.6741  817.036   89.948  817.036   89.948  817.036   89.948   82.104   4.6741   82.104   4.6741 0.000000 0.000000 
1 1 1   24    0    2 o   79.052   4.3813  755.638   81.211  755.638   81.211  755.638   81.211   79.052   4.3813   79.052   4.3813 0.000000 0.000000 
1 1 1   24    0    3 o   85.641   4.6985  888.859   94.363  888.859   94.363  888.859   94.363   85.641   4.6985   85.641   4.6985 0.000000 0.000000 
1 1 1   24    0    4 o   30.850   2.1659  114.439   15.599  114.439   15.599  114.439   15.599   30.850   2.1659   30.850   2.1659 0.000000 0.000000 
1 1 1   24    0    5 o   10.243   1.9740   13.714   4.2630   13.714   4.2630   13.714   4.2630   10.243   1.9740   10.243   1.9740 0.000000 0.000000 
1 1 1   24    0    6 o   33.103   2.3125  131.850   17.874  131.850   17.874  131.850   17.874   33.103   2.3125   33.103   2.3125 0.000000 0.000000 
1 1 1   24    0    7 o   34.288   2.3689  141.470   18.970  141.470   18.970  141.470   18.970   34.288   2.3689   34.288   2.3689 0.000000 0.000000 
1 1 1   24    0    8 o   47.488   2.9366  271.403   32.642  271.403   32.642  271.403   32.642   47.488   2.9366   47.488   2.9366 0.000000 0.000000 
1 1 1   24    0    9 o   34.085   2.1833  139.477   17.407  139.477   17.407  139.477   17.407   34.085   2.1833   34.085   2.1833 0.000000 0.000000 
1 1 1   24    0   10 o   58.340   3.4492  410.840   47.136  410.840   47.136  410.840   47.136   58.340   3.4492   58.340   3.4492 0.000000 0.000000 
1 1 1   24    0   11 f   7.8735   2.5231   9.3002   4.1369   9.3002   4.1369   9.3002   4.1369   7.8735   2.5231   7.8735   2.5231 0.000000 0.000000 
1 1 1   24    0   12 o   77.366   4.4554  729.301   80.777  729.301   80.777  729.301   80.777   77.366   4.4554   77.366   4.4554 0.000000 0.000000 
1 1 1   24    0   13 o   34.860   2.4338  146.570   19.810  146.570   19.810  146.570   19.810   34.860   2.4338   34.860   2.4338 0.000000 0.000000 
1 1 1   24    0   14 o   6.0546   2.3918   5.9903   3.2894   5.9903   3.2894   5.9903   3.2894   6.0546   2.3918   6.0546   2.3918 0.000000 0.000000 
1 1 1   24    0   15 o   24.150   1.9560   70.553   10.986   70.553   10.986   70.553   10.986   24.150   1.9560   24.150   1.9560 0.000000 0.000000 
1 1 1   24    0   16 o   27.849   2.0889   93.659   13.559   93.659   13.559   93.659   13.559   27.849   2.0889   27.849   2.0889 0.000000 0.000000 
1 1 1   24    0   17 o   28.755   2.1299   99.870   14.280   99.870   14.280   99.870   14.280   28.755   2.1299   28.755   2.1299 0.000000 0.000000 
1 1 1   24    0   18 f   2.6388   1.6851   0.1592   2.3386   0.1592   2.3386   0.1592   2.3386   2.6388   1.6851   2.6388   1.6851 0.000000 0.000000 
1 1 1   24    0   19 o   31.234   2.2433  117.891   16.349  117.891   16.349  117.891   16.349   31.234   2.2433   31.234   2.2433 0.000000 0.000000 
1 1 1   24    0   20 o   2.8043   1.7415   0.6181   2.3124   0.6181   2.3124   0.6181   2.3124   2.8043   1.7415   2.8043   1.7415 0.000000 0.000000 
1 1 1   24    0   21 o   15.549   1.7925   29.818   6.3541   29.818   6.3541   29.818   6.3541   15.549   1.7925   15.549   1.7925 0.000000 0.000000 
1 1 1   24    0   22 o   11.798   1.8249   17.656   4.7217   17.656   4.7217   17.656   4.7217   11.798   1.8249   11.798   1.8249 0.000000 0.000000 
1 1 1   24    0   23 o   24.117   1.9945   70.568   11.180   70.568   11.180   70.568   11.180   24.117   1.9945   24.117   1.9945 0.000000 0.000000 
1 1 1   24    0   24 o   7.7769   2.0402   8.5030   3.2372   8.5030   3.2372   8.5030   3.2372   7.7769   2.0402   7.7769   2.0402 0.000000 0.000000 
1 1 1   24    0   25 o  ?   ?   -3.6996   0.5647  -3.6996   0.5647  -3.6996   0.5647  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   24    0   26 o  ?   ?   -3.2485   0.4789  -3.2485   0.4789  -3.2485   0.4789  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   24    0   27 o   10.150   1.7356   13.256   3.7946   13.256   3.7946   13.256   3.7946   10.150   1.7356   10.150   1.7356 0.000000 0.000000 
1 1 1   24    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    0   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1    0 o   77.640   6.4594  748.900  116.539  748.900  116.539  748.900  116.539   77.640   6.4594   77.640   6.4594 0.000000 0.000000 
1 1 1   24    1    1 o   26.923   1.9648   86.553   12.405   76.000   17.464   97.300   17.624   25.020   3.0167   28.430   2.6559 -3.410181 4.019260 
1 1 1   24    1    2 o   89.623   5.0716  989.739  106.892  912.300  151.109  1067.30  151.228   83.774   7.7257   91.322   7.0679 -7.547218 10.47101 
1 1 1   24    1    3 o   77.421   4.3024  730.804   78.346  818.700  110.955  643.400  110.643   80.900   5.8475   71.075   6.6705 9.825150 8.870636 
1 1 1   24    1    4 o   40.330   2.5585  194.854   24.239  215.300   34.318  174.500   34.240   42.151   3.4790   37.792   3.8925 4.358730 5.220594 
1 1 1   24    1    5 o   19.228   1.7964   44.267   8.0622   39.300   11.421   49.200   11.383   17.924   2.7891   20.170   2.4394 -2.246574 3.705410 
1 1 1   24    1    6 o   34.605   2.3311  143.349   18.937  141.400   26.775  145.300   26.788   34.115   3.3677   34.600   3.3194 -0.4850502 4.728582 
1 1 1   24    1    7 o   34.520   2.3315  142.706   18.894  139.300   26.744  146.100   26.697   33.840   3.3926   34.690   3.2987 -0.8504524 4.731938 
1 1 1   24    1    8 o   25.971   1.9782   80.670   12.040   84.700   17.092   76.700   16.963   26.456   2.7774   25.130   2.9127 1.325788 4.024658 
1 1 1   24    1    9 o   17.118   1.7118   35.135   6.8265   28.300   9.6092   42.100   9.6998   15.138   2.7911   18.661   2.2463 -3.523607 3.582736 
1 1 1   24    1   10 o   61.359   3.6020  457.731   51.961  494.300   73.503  421.200   73.465   62.958   4.9849   57.792   5.4476 5.165894 7.384147 
1 1 1   24    1   11 o   34.642   2.3536  144.021   19.139  136.900   27.106  151.100   27.027   33.450   3.4826   35.223   3.2874 -1.772976 4.789132 
1 1 1   24    1   12 o   12.366   1.6611   18.488   4.7280   15.500   6.6729   21.500   6.7001   11.156   2.5839   13.247   2.2205 -2.091406 3.406925 
1 1 1   24    1   13 o   49.851   3.0364  301.001   35.573  305.000   50.298  297.000   50.317   49.541   4.3434   48.845   4.4100 0.6958847 6.189779 
1 1 1   24    1   14 o   62.714   3.6976  482.297   54.515  505.800   77.101  458.800   77.092   63.089   5.2223   59.825   5.5194 3.263931 7.598425 
1 1 1   24    1   15 f   41.664   2.6278  209.565   25.721  230.500   36.405  188.700   36.345   43.300   3.5930   38.960   4.0077 4.339493 5.382492 
1 1 1   24    1   16 o   43.888   2.7072  232.979   27.919  263.600   39.530  202.500   39.438   46.256   3.6487   40.225   4.2146 6.030769 5.574527 
1 1 1   24    1   17 o   69.322   4.1011  597.720   66.834  638.300   94.493  557.100   94.541   69.949   5.7723   64.799   6.2564 5.150116 8.512460 
1 1 1   24    1   18 o   6.1737   1.6793   4.6880   2.5130   6.5000   3.6186   3.0000   3.4925   7.2684   2.0302   5.5676   2.0365 1.700784 2.875616 
1 1 1   24    1   19 o   8.7432   1.7043   9.4190   3.3923   8.4000   4.8437   10.400   4.7524   8.2584   2.3638   9.1319   2.2244 -0.8734827 3.245865 
1 1 1   24    1   20 o   34.298   2.3362  142.104   18.808  148.100   26.590  136.100   26.608   34.641   3.2902   33.124   3.4525 1.516777 4.769142 
1 1 1   24    1   21 o   25.959   2.0779   81.270   12.631   98.800   17.802   63.500   17.923   28.452   2.6813   22.482   3.4892 5.969564 4.400469 
1 1 1   24    1   22 o   18.748   1.7558   42.320   7.6824   54.000   10.878   30.700   10.851   21.087   2.2179   15.614   3.0523 5.472890 3.773052 
1 1 1   24    1   23 o   27.477   1.9948   90.923   12.854  105.200   18.261   76.900   18.098   29.350   2.6638   24.886   3.1502 4.463783 4.125459 
1 1 1   24    1   24 o   25.037   1.8322   75.378   10.757   90.000   15.473   61.700   14.965   27.191   2.4357   22.321   2.9083 4.869499 3.793540 
1 1 1   24    1   25 o   40.992   2.4218  203.848   23.338  242.400   33.225  166.300   32.789   44.285   3.1987   36.246   3.8918 8.038521 5.037690 
1 1 1   24    1   26 o   19.475   1.5556   45.552   7.0944   61.400   10.368   31.600   9.7283   22.526   1.9690   15.904   2.6861 6.621690 3.330488 
1 1 1   24    1   27 o   12.693   1.5661   19.534   4.5946   24.200   6.7935   15.600   6.2374   14.014   2.1190   11.126   2.4413 2.888724 3.232634 
1 1 1   24    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    1   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2    0 o   16.556   2.7032   35.000   9.7220   35.000   9.7220   35.000   9.7220   16.556   2.7032   16.556   2.7032 0.000000 0.000000 
1 1 1   24    2    1 o   13.268   1.6836   21.207   5.1559   24.900   7.2848   17.500   7.2982   14.300   2.2301   11.877   2.6674 2.422537 3.476838 
1 1 1   24    2    2 o   74.214   4.2537  671.089   74.234  662.900  104.915  679.300  105.051   72.529   6.1849   73.481   6.1097 -0.9523773 8.693750 
1 1 1   24    2    3 o   33.203   2.2779  131.860   17.751  136.600   25.078  127.100   25.131   33.591   3.2002   32.356   3.3371 1.234837 4.623607 
1 1 1   24    2    4 o   61.056   3.4840  450.348   50.022  526.300   70.813  374.700   70.671   65.478   4.6093   54.721   5.5458 10.75694 7.211246 
1 1 1   24    2    5 o   42.537   2.6740  217.047   26.723  216.000   37.739  218.100   37.844   42.086   3.8397   42.294   3.8308 -0.2085304 5.423873 
1 1 1   24    2    6 o   3.3776   1.2918   0.9108   1.4377  -2.4000   1.9138   5.2000   2.1783   2.5118   1.1927   6.4969   1.4559 -3.985107 1.882060 
1 1 1   24    2    7 o   30.943   2.1824  114.580   15.845  117.700   22.482  111.500   22.334   31.157   3.0967   30.299   3.1684 0.8579617 4.430417 
1 1 1   24    2    8 o   31.243   2.1966  116.851   16.102  117.900   22.759  115.800   22.786   31.165   3.1351   30.874   3.1704 0.2910023 4.458716 
1 1 1   24    2    9 o   14.024   1.6399   23.657   5.3281   18.900   7.5017   28.500   7.5690   12.337   2.6538   15.322   2.1513 -2.984665 3.416282 
1 1 1   24    2   10 o   13.605   1.6818   22.309   5.2877   20.600   7.4968   24.000   7.4592   12.904   2.5507   13.996   2.3395 -1.091821 3.461093 
1 1 1   24    2   11 o   15.723   1.7079   29.711   6.2388   32.800   8.8074   26.600   8.8386   16.412   2.3388   14.683   2.6465 1.728249 3.531871 
1 1 1   24    2   12 o   52.827   3.1957  338.320   39.677  371.400   56.094  305.200   56.129   54.750   4.3754   49.315   4.8842 5.434689 6.557418 
1 1 1   24    2   13 o   31.799   2.2411  121.426   16.720  128.600   23.604  114.200   23.689   32.481   3.1156   30.520   3.3416 1.961618 4.568767 
1 1 1   24    2   14 o   40.990   2.6262  202.708   25.285  211.000   35.740  194.400   35.777   41.399   3.6949   39.646   3.8710 1.753056 5.351331 
1 1 1   24    2   15 f   29.042   2.1106  101.296   14.375  115.100   20.332   87.500   20.326   30.768   2.8302   26.647   3.3009 4.121124 4.348108 
1 1 1   24    2   16 o   62.298   3.7264  477.847   54.567  510.300   77.114  445.300   77.225   63.172   5.2162   58.605   5.6503 4.566055 7.689862 
1 1 1   24    2   17 o   44.254   2.7598  237.370   28.696  257.300   40.612  217.500   40.552   45.559   3.8100   41.664   4.1781 3.895031 5.654427 
1 1 1   24    2   18 o   22.956   1.8998   63.350   10.206   64.200   14.429   62.500   14.437   22.901   2.7216   22.578   2.7657 0.3220940 3.880263 
1 1 1   24    2   19 o   35.142   2.3592  149.135   19.464  162.700   27.541  135.600   27.511   36.364   3.2414   33.023   3.5856 3.340652 4.833598 
1 1 1   24    2   20 o   27.025   2.0600   87.974   13.047   99.200   18.432   76.700   18.471   28.487   2.7753   24.864   3.2217 3.623438 4.252282 
1 1 1   24    2   21 o   10.609   1.6621   13.731   4.0269   15.500   5.8150   12.100   5.5820   11.160   2.2835   9.8307   2.4207 1.329293 3.327808 
1 1 1   24    2   22 f   37.742   2.3641  172.267   20.963  205.900   29.728  139.000   29.565   40.939   3.0980   33.240   3.8372 7.699383 4.931702 
1 1 1   24    2   23 o   26.854   1.9898   86.865   12.528   96.000   17.801   77.900   17.634   28.004   2.7265   25.090   3.0383 2.913540 4.082294 
1 1 1   24    2   24 f   39.493   2.5556  189.627   23.705  204.800   33.550  174.500   33.498   40.524   3.5416   37.193   3.8709 3.330490 5.246559 
1 1 1   24    2   25 o   18.362   1.6252   40.549   6.9741   55.500   9.9484   26.100   9.7796   21.418   1.9898   14.360   2.9815 7.057693 3.584491 
1 1 1   24    2   26 o   15.702   1.5994   29.742   5.8473   36.300   8.3735   23.500   8.1691   17.242   2.1000   13.684   2.6237 3.558530 3.360574 
1 1 1   24    2   27 o   18.543   1.4902   41.303   6.4701   58.200   9.2920   25.400   9.0144   21.953   1.8086   14.170   2.7933 7.782655 3.327702 
1 1 1   24    2   28 o   15.913   2.6639   31.800   9.6563   31.800   9.6563   0.0000   0.0000   15.913   2.6639  ?   ?  0.000000 2.663888 
1 1 1   24    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    2   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3    0 o  ?   ?   -2.7000   0.5887  -2.7000   0.5887  -2.7000   0.5887  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   24    3    1 o   29.219   2.0979  102.028   14.379   94.800   20.304  109.300   20.365   27.950   3.1301   30.089   2.9023 -2.138445 4.268551 
1 1 1   24    3    2 o   13.917   1.6481   23.285   5.3109   19.700   7.4949   26.900   7.5266   12.622   2.6012   14.877   2.2096 -2.255630 3.412974 
1 1 1   24    3    3 o   79.319   4.5444  770.360   84.763  773.200  119.665  767.500  120.081   77.988   6.5589   77.655   6.6115 0.3334656 9.312917 
1 1 1   24    3    4 o   78.237   4.4213  748.601   81.346  702.400  114.919  795.000  115.164   74.205   6.6282   79.338   6.1963 -5.132965 9.073410 
1 1 1   24    3    5 o   70.166   4.0662  599.723   67.083  611.900   94.779  587.500   94.960   69.787   5.8041   68.269   5.9500 1.517380 8.312085 
1 1 1   24    3    6 f   16.426   1.7243   32.373   6.5885   33.800   9.2459   30.900   9.3910   16.665   2.4203   15.884   2.5932 0.7805338 3.547220 
1 1 1   24    3    7 o   19.460   1.7769   45.340   8.0755   43.100   11.395   47.600   11.446   18.810   2.6380   19.814   2.5022 -1.003431 3.635917 
1 1 1   24    3    8 o   33.303   2.2238  132.751   17.387  146.100   24.682  119.600   24.498   34.747   3.0388   31.323   3.3648 3.424082 4.533889 
1 1 1   24    3    9 o   46.246   2.8193  257.408   30.641  293.300   43.358  221.600   43.307   49.019   3.7748   42.316   4.3984 6.703194 5.796106 
1 1 1   24    3   10 o   11.612   1.6612   16.331   4.4252   14.700   6.2219   18.000   6.2952   10.876   2.4779   12.087   2.2894 -1.210965 3.373590 
1 1 1   24    3   11 f   59.748   3.4194  433.599   48.043  499.800   68.020  367.700   67.865   63.482   4.5681   53.885   5.4064 9.596703 7.077935 
1 1 1   24    3   12 o   49.209   3.0034  292.903   34.733  320.800   49.117  265.000   49.122   50.988   4.1145   46.077   4.5752 4.910690 6.153147 
1 1 1   24    3   13 o   48.783   2.9772  288.141   34.131  298.500   48.290  277.800   48.246   49.058   4.2093   47.225   4.3762 1.833408 6.072006 
1 1 1   24    3   14 o   10.197   1.7921   12.735   4.1575   10.900   6.1287   14.300   5.6586   9.3943   2.6486   10.731   2.3020 -1.337186 3.509143 
1 1 1   24    3   15 o   40.828   2.6136  201.247   25.066  209.200   35.454  193.300   35.443   41.192   3.6838   39.508   3.8479 1.683937 5.326963 
1 1 1   24    3   16 o   44.664   2.7865  241.644   29.242  249.700   41.371  233.600   41.338   44.846   3.9469   43.287   4.0927 1.558788 5.685826 
1 1 1   24    3   17 o   45.292   2.7196  248.463   28.952  298.300   41.001  198.900   40.888   49.218   3.5516   39.673   4.4407 9.545250 5.686274 
1 1 1   24    3   18 o   42.863   2.7339  222.921   27.527  250.100   38.914  195.700   38.944   44.920   3.7015   39.402   4.2530 5.517887 5.638205 
1 1 1   24    3   19 o   12.471   1.6709   18.854   4.7967   20.900   6.7770   16.800   6.7902   13.009   2.2897   11.586   2.5510 1.423376 3.427908 
1 1 1   24    3   20 o  ?   ?   -3.4830   0.4815  -6.2000   0.6605  -0.4000   0.7035  ?   ?    1.7538   0.7933 0.000000 0.7933214 
1 1 1   24    3   21 o   5.1727   1.6112   3.1660   2.1793   2.7000   3.1382   3.6000   3.0286   5.2796   1.9306   5.6716   1.9101 -0.3920212 2.715803 
1 1 1   24    3   22 o   25.887   2.0235   80.784   12.271   79.600   17.240   82.000   17.470   25.414   2.9261   25.802   2.9188 -0.3871536 4.132926 
1 1 1   24    3   23 o   33.965   2.2538  139.393   17.973  171.900   25.460  107.100   25.376   37.464   2.9006   29.140   3.7767 8.323338 4.762008 
1 1 1   24    3   24 f   19.504   1.6887   45.750   7.7010   56.800   10.993   35.100   10.792   21.627   2.1823   16.771   2.8255 4.856108 3.570163 
1 1 1   24    3   25 o   45.022   2.6795  247.312   28.358  295.300   40.205  199.800   40.005   48.653   3.5234   39.404   4.3732 9.248596 5.615986 
1 1 1   24    3   26 o   21.471   1.7692   55.571   8.8899   64.700   12.663   46.700   12.483   23.003   2.3651   19.359   2.8130 3.643442 3.675112 
1 1 1   24    3   27 o   19.674   1.3820   46.357   6.3794   69.900   9.3559   25.900   8.7213   24.113   1.6531   14.347   2.6726 9.765532 3.142580 
1 1 1   24    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    3   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4    0 o   20.876   2.7689   54.400   12.979   54.400   12.979   54.400   12.979   20.876   2.7689   20.876   2.7689 0.000000 0.000000 
1 1 1   24    4    1 o   24.510   1.9432   71.806   11.154   74.400   15.757   69.200   15.791   24.806   2.7356   23.887   2.8563 0.9189110 3.954959 
1 1 1   24    4    2 o   17.504   1.7560   36.719   7.1604   38.600   10.075   34.800   10.179   17.829   2.4583   16.876   2.6408 0.9536915 3.607980 
1 1 1   24    4    3 o   17.247   1.7955   35.686   7.2051   44.700   10.142   26.500   10.238   19.243   2.2759   14.601   3.0670 4.641832 3.819226 
1 1 1   24    4    4 o   72.782   4.1658  646.018   71.298  635.800  100.674  656.300  100.989   70.958   6.0667   72.165   5.9802 -1.206894 8.518637 
1 1 1   24    4    5 o   62.831   3.6620  478.637   54.095  472.200   76.422  485.100   76.583   61.530   5.3119   62.411   5.2451 -0.8805008 7.465044 
1 1 1   24    4    6 o   5.1918   1.6212   3.1679   2.2049   4.6000   2.9664   1.4000   3.2959   6.2004   1.8702   4.8279   1.9237 1.372517 2.682966 
1 1 1   24    4    7 o   34.896   2.3693  145.931   19.408  132.300   27.479  159.500   27.416   32.898   3.5958   36.266   3.2353 -3.368069 4.837033 
1 1 1   24    4    8 o   5.5244   1.6472   3.6627   2.3110   1.9000   3.3859   5.2000   3.1620   5.0722   1.9711   6.5564   1.9196 -1.484190 2.751360 
1 1 1   24    4    9 o   24.432   1.9393   71.451   11.096   72.000   15.682   70.900   15.703   24.355   2.7764   24.159   2.8048 0.1958771 3.946538 
1 1 1   24    4   10 o   65.107   3.8106  517.558   58.330  566.200   82.484  468.900   82.498   67.141   5.2442   60.640   5.8333 6.501179 7.844054 
1 1 1   24    4   11 o   27.094   2.0184   87.928   12.821   79.500   18.107   96.400   18.155   25.511   3.0672   28.208   2.7610 -2.696226 4.126860 
1 1 1   24    4   12 o   45.696   2.8585  252.229   30.690  271.600   43.370  232.800   43.434   46.956   3.9481   43.279   4.3073 3.677292 5.842923 
1 1 1   24    4   13 o   29.160   2.1106  102.040   14.435  107.300   20.435   96.800   20.394   29.683   2.9546   28.128   3.1231 1.554773 4.299285 
1 1 1   24    4   14 o   32.643   2.2669  128.111   17.365  130.800   24.510  125.400   24.607   32.694   3.2164   31.974   3.3069 0.7202568 4.613115 
1 1 1   24    4   15 o   31.051   2.1937  115.893   15.981  123.300   22.611  108.500   22.590   31.777   3.0509   29.716   3.2737 2.060768 4.474896 
1 1 1   24    4   16 o   17.281   1.7655   35.936   7.1029   39.000   9.9874   32.800   10.104   17.867   2.4303   16.287   2.7232 1.579403 3.649919 
1 1 1   24    4   17 o   26.021   2.0102   81.397   12.256   82.300   17.365   80.500   17.299   25.925   2.8855   25.629   2.9101 0.2961121 4.098154 
1 1 1   24    4   18 o   35.826   2.3973  154.991   20.164  167.700   28.526  142.300   28.506   36.911   3.3079   33.841   3.6236 3.070477 4.906396 
1 1 1   24    4   19 o   7.2773   1.7252   6.5668   2.9194   7.6000   4.0088   5.4000   4.2601   7.8332   2.1169   6.8572   2.2644 0.9760604 3.099842 
1 1 1   24    4   20 o   34.375   2.3461  142.794   18.930  135.400   26.760  150.200   26.782   33.017   3.4849   34.882   3.2903 -1.864681 4.792821 
1 1 1   24    4   21 o   34.993   2.1842  147.572   17.958  192.100   25.476  103.600   25.317   39.726   2.7325   28.668   3.8360 11.05717 4.709683 
1 1 1   24    4   22 o   35.677   2.3759  154.061   19.901  173.000   28.173  135.200   28.116   37.444   3.2176   32.847   3.6887 4.597816 4.894822 
1 1 1   24    4   23 o   25.993   1.9297   81.329   11.760   94.200   16.711   68.700   16.553   27.787   2.5761   23.534   3.0505 4.253330 3.992671 
1 1 1   24    4   24 o   10.090   1.4798   12.375   3.4209   18.700   5.0998   7.2000   4.6126   12.382   1.7966   7.6973   2.3345 4.685126 2.945778 
1 1 1   24    4   25 o   5.1673   1.5942   3.1806   2.1395   2.4000   3.2165   3.8000   2.8653   5.1744   1.9429   5.7199   1.8556 -0.5454826 2.686620 
1 1 1   24    4   26 o   17.547   1.5951   37.078   6.5373   48.000   9.4127   26.900   9.0863   19.874   2.0344   14.626   2.7313 5.247368 3.405682 
1 1 1   24    4   27 o   14.140   1.6763   24.262   5.4880   32.100   7.7802   16.500   7.7423   16.187   2.0838   11.370   2.8804 4.817228 3.555100 
1 1 1   24    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    4   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5    0 o   3.9175   2.0937   2.6000   2.6443   2.6000   2.6443   2.6000   2.6443   3.9175   2.0937   3.9175   2.0937 0.000000 0.000000 
1 1 1   24    5    1 o   54.889   3.2550  363.295   42.001  377.400   59.409  349.200   59.387   55.391   4.5832   53.174   4.7808 2.216324 6.622805 
1 1 1   24    5    2 o   31.223   2.1776  116.587   15.955  120.700   22.600  112.500   22.528   31.578   3.0695   30.449   3.1801 1.129047 4.419885 
1 1 1   24    5    3 o   51.140   2.9595  314.471   35.587  265.900   50.235  363.400   50.419   46.388   4.6486   54.619   3.9356 -8.230400 6.090833 
1 1 1   24    5    4 o   59.614   3.4861  429.981   48.860  446.700   69.138  413.300   69.058   60.061   4.9180   57.643   5.1271 2.418655 7.104450 
1 1 1   24    5    5 o   84.041   4.7493  870.345   93.865  765.800  132.678  975.100  132.812   76.546   7.4341   87.430   6.4791 -10.88493 9.861274 
1 1 1   24    5    6 o   43.198   2.6747  224.061   27.150  213.500   38.325  234.700   38.466   41.761   3.9327   43.870   3.7492 -2.108967 5.433504 
1 1 1   24    5    7 o   34.678   2.3284  144.080   18.956  151.400   26.845  136.800   26.771   35.312   3.2561   33.500   3.4326 1.812012 4.731259 
1 1 1   24    5    8 o   22.040   1.8630   58.149   9.6046   57.500   13.575   58.800   13.591   21.752   2.7010   22.007   2.6701 -0.2549210 3.798007 
1 1 1   24    5    9 o   26.627   2.0088   84.883   12.538   79.800   17.703   90.000   17.760   25.598   2.9847   27.251   2.7997 -1.653551 4.092320 
1 1 1   24    5   10 o   25.626   1.9915   78.659   11.956   80.100   16.854   77.200   16.963   25.678   2.8265   25.183   2.9059 0.4946804 4.053763 
1 1 1   24    5   11 o   43.482   2.7446  227.919   28.036  237.300   39.610  218.500   39.688   43.941   3.8565   42.069   4.0451 1.871811 5.588834 
1 1 1   24    5   12 o   30.692   2.1531  113.005   15.506  104.300   21.872  121.800   21.985   29.191   3.2271   31.649   2.9767 -2.458305 4.390326 
1 1 1   24    5   13 o   17.869   1.7532   38.352   7.3021   39.300   10.317   37.400   10.337   17.935   2.5043   17.470   2.5836 0.4655685 3.598122 
1 1 1   24    5   14 o   20.781   1.8153   51.822   8.8186   58.300   12.498   45.400   12.445   21.914   2.4577   19.212   2.8277 2.701254 3.746453 
1 1 1   24    5   15 o   42.142   2.6952  214.772   26.680  220.300   37.658  209.200   37.805   42.188   3.8217   41.040   3.9499 1.148056 5.496031 
1 1 1   24    5   16 f   43.485   2.7228  228.968   27.818  253.500   39.366  204.500   39.315   45.291   3.7135   40.407   4.1809 4.883808 5.591990 
1 1 1   24    5   17 o   34.722   2.3594  145.459   19.230  132.100   27.205  158.800   27.186   32.624   3.5909   35.957   3.2364 -3.333557 4.834154 
1 1 1   24    5   18 o   15.060   1.6731   27.347   5.8494   34.800   8.3020   20.000   8.2429   16.917   2.1251   12.612   2.8365 4.305170 3.544251 
1 1 1   24    5   19 o   34.352   2.3509  142.568   18.956  153.400   26.786  131.700   26.829   35.284   3.2515   32.542   3.5489 2.741615 4.813172 
1 1 1   24    5   20 o   39.607   2.6083  190.352   24.258  204.500   34.243  176.100   34.368   40.569   3.6123   37.447   3.9461 3.122524 5.349858 
1 1 1   24    5   21 o   17.559   1.6805   37.097   6.8829   48.500   9.8007   26.000   9.6686   20.004   2.1064   14.373   2.9476 5.631051 3.622923 
1 1 1   24    5   22 o   54.573   3.2242  366.326   41.365  433.100   58.553  299.800   58.444   58.494   4.2686   47.790   5.2664 10.70429 6.779076 
1 1 1   24    5   23 o   31.819   2.2807  122.516   17.022  158.800   24.052   86.100   24.095   36.013   2.8516   25.940   4.0675 10.07312 4.967542 
1 1 1   24    5   24 o   20.130   1.5489   48.575   7.3060   71.000   10.471   27.300   10.199   24.293   1.8390   14.689   3.0406 9.604076 3.553443 
1 1 1   24    5   25 o   24.170   1.7675   70.262   10.018   89.600   14.276   51.500   14.061   27.167   2.2454   20.292   3.0271 6.874516 3.769012 
1 1 1   24    5   26 o   11.661   1.4862   16.478   3.9994   24.400   5.7395   9.0000   5.5761   14.169   1.7528   8.5418   2.5614 5.627481 3.103729 
1 1 1   24    5   27 o   33.688   2.3435  138.400   18.527  153.500   26.201  123.300   26.201   35.017   3.2041   31.104   3.6358 3.912943 4.846170 
1 1 1   24    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    5   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6    0 o   40.660   3.7911  202.600   35.673  202.600   35.673  202.600   35.673   40.660   3.7911   40.660   3.7911 0.000000 0.000000 
1 1 1   24    6    1 o   29.489   2.1165  103.999   14.640   99.200   20.701  108.800   20.707   28.583   3.1176   29.987   2.9630 -1.404137 4.301060 
1 1 1   24    6    2 o   27.320   2.0365   89.250   13.043   88.600   18.449   89.900   18.443   27.036   2.9370   27.242   2.9121 -0.2059441 4.135986 
1 1 1   24    6    3 f   44.336   2.6977  235.949   28.109  278.300   39.776  193.700   39.728   47.892   3.5423   39.638   4.3141 8.254047 5.582120 
1 1 1   24    6    4 o   62.702   3.6634  477.003   54.004  500.500   76.369  453.500   76.378   63.422   5.1437   60.176   5.4336 3.245911 7.482083 
1 1 1   24    6    5 o   57.870   3.4242  405.309   46.584  399.200   65.929  411.400   65.830   56.672   4.9770   57.587   4.8871 -0.9156494 6.975291 
1 1 1   24    6    6 o   19.471   1.7936   45.413   8.1542   43.700   11.577   47.100   11.487   18.933   2.6630   19.698   2.5280 -0.7646790 3.671815 
1 1 1   24    6    7 o   30.302   2.1377  109.920   15.198  122.100   21.520   97.800   21.467   31.770   2.9006   28.308   3.2717 3.462709 4.372365 
1 1 1   24    6    8 o   30.440   2.1674  111.000   15.478  111.200   21.882  110.800   21.896   30.241   3.1085   30.183   3.1169 0.5747223E-01 4.402080 
1 1 1   24    6    9 o   53.180   3.1964  342.350   39.953  370.800   56.502  313.900   56.502   54.759   4.4070   50.127   4.8333 4.632072 6.540835 
1 1 1   24    6   10 o   15.612   1.7558   29.334   6.3609   17.800   9.0288   40.700   8.9628   11.934   3.1556   18.360   2.1054 -6.425501 3.793534 
1 1 1   24    6   11 o   17.724   1.7498   37.712   7.2278   40.500   10.199   34.900   10.244   18.241   2.4282   16.858   2.6618 1.383375 3.602963 
1 1 1   24    6   12 o   68.614   4.0174  580.054   64.807  620.800   91.646  539.300   91.655   69.633   5.6215   64.443   6.0955 5.190163 8.291921 
1 1 1   24    6   13 o   9.8409   1.6816   11.836   3.7673   18.100   5.3127   5.5000   5.3429   12.181   1.9098   7.2003   2.5329 4.980902 3.172186 
1 1 1   24    6   14 o   14.196   1.6340   24.277   5.3779   30.300   7.6525   18.400   7.5592   15.791   2.1046   12.133   2.7072 3.658095 3.429054 
1 1 1   24    6   15 o   29.182   2.1056  102.326   14.412  119.800   20.396   84.900   20.368   31.395   2.7799   26.201   3.3702 5.194002 4.368779 
1 1 1   24    6   16 o   87.363   5.1500  975.437  105.772  1074.00  149.594  876.900  149.575   88.535   7.2183   78.450   8.1952 10.08511 10.92084 
1 1 1   24    6   17 o   19.336   1.7155   44.892   7.7512   56.500   11.038   33.600   10.887   21.606   2.1940   16.424   2.9139 5.181385 3.647488 
1 1 1   24    6   18 o   49.076   3.0493  294.086   35.162  329.700   49.702  258.400   49.752   51.277   4.1400   44.940   4.7607 6.337063 6.309082 
1 1 1   24    6   19 o   27.776   2.0370   92.852   13.268  102.800   18.809   83.000   18.718   29.006   2.7801   25.920   3.1209 3.085632 4.179587 
1 1 1   24    6   20 o  ?   ?   -2.3161   0.6247  -2.7000   0.6950  -0.7000   1.4259  ?   ?    2.5372   1.1402 0.000000 1.140208 
1 1 1   24    6   21 o   46.501   2.7938  263.376   30.535  315.100   43.236  211.900   43.132   50.339   3.6624   40.658   4.5719 9.681427 5.857881 
1 1 1   24    6   22 o   9.9229   1.7200   12.080   3.8843  10.0000   5.6068   14.000   5.3862   8.9741   2.5344   10.602   2.2226 -1.627547 3.370914 
1 1 1   24    6   23 o   16.206   1.6512   31.652   6.2306   42.200   8.8529   21.300   8.7706   18.648   2.0439   12.972   2.9321 5.675911 3.574155 
1 1 1   24    6   24 o   18.203   1.6718   39.883   7.1057   48.100   10.155   32.000   9.9462   19.877   2.2005   16.021   2.7267 3.855459 3.503874 
1 1 1   24    6   25 o   15.161   1.6378   27.766   5.7701   31.700   8.2507   24.000   8.0725   16.066   2.2354   13.855   2.5617 2.211013 3.399904 
1 1 1   24    6   26 o   14.438   1.4242   25.087   4.7922   39.800   6.9566   11.800   6.6109   18.171   1.6389   9.6890   2.7575 8.481936 3.207787 
1 1 1   24    6   27 o   7.8425   1.8607   7.6844   3.3939   11.100   5.7936   5.9000   4.1876   9.3800   2.5491   7.0304   2.2393 2.349617 3.393009 
1 1 1   24    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    6   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7    0 o   30.711   3.1911  115.900   22.570  115.900   22.570  115.900   22.570   30.711   3.1911   30.711   3.1911 0.000000 0.000000 
1 1 1   24    7    1 o   43.290   2.7116  225.050   27.579  225.200   39.007  224.900   38.997   42.927   3.8904   42.898   3.8921 0.2939606E-01 5.503099 
1 1 1   24    7    2 o   36.519   2.2734  159.538   19.508  127.200   27.520  192.200   27.657   32.233   3.6816   39.926   2.9545 -7.692688 4.720484 
1 1 1   24    7    3 o   54.988   3.2563  365.182   42.094  341.100   59.507  389.300   59.552   52.423   4.8624   56.209   4.5251 -3.785259 6.642240 
1 1 1   24    7    4 o   65.493   3.8169  521.909   58.773  532.700   83.082  511.100   83.153   65.187   5.4473   63.754   5.5796 1.433067 7.797808 
1 1 1   24    7    5 o   82.193   4.6395  832.936   89.679  731.800  126.754  934.300  126.897   74.772   7.2709   85.543   6.3270 -10.77071 9.638308 
1 1 1   24    7    6 o   55.673   3.3091  375.095   43.307  377.300   61.321  372.900   61.171   55.134   4.7566   54.799   4.7750 0.3350410 6.739888 
1 1 1   24    7    7 o   15.736   1.6724   29.728   6.1188   37.500   8.6941   22.100   8.6132   17.615   2.1337   13.329   2.8243 4.285604 3.539697 
1 1 1   24    7    8 o   10.549   1.6660   13.535   4.0124   11.000   5.7141   16.000   5.6356   9.4261   2.5190   11.399   2.1730 -1.973212 3.326723 
1 1 1   24    7    9 o   23.079   1.9007   63.808   10.266   67.900   14.504   59.700   14.533   23.660   2.6411   22.117   2.8489 1.542740 3.884852 
1 1 1   24    7   10 o   9.2456   1.5872   10.434   3.3404   19.300   4.8138   2.2000   4.6391   12.640   1.6523   5.7881   2.2898 6.852164 2.823688 
1 1 1   24    7   11 f   56.258   3.3887  385.437   44.807  417.000   63.329  353.800   63.404   57.741   4.6851   52.856   5.1452 4.884651 6.958694 
1 1 1   24    7   12 o   49.937   3.0369  302.437   35.641  295.200   50.358  309.700   50.451   48.617   4.4353   49.869   4.3271 -1.251949 6.196468 
1 1 1   24    7   13 o   33.094   2.2792  131.698   17.702  131.100   24.995  132.300   25.075   32.705   3.2807   32.858   3.2754 -0.1522751 4.635858 
1 1 1   24    7   14 o   23.062   1.8857   63.827   10.179   59.300   14.360   68.400   14.431   21.999   2.8300   23.707   2.6218 -1.708651 3.857768 
1 1 1   24    7   15 o   27.974   2.0800   94.054   13.642   95.800   19.271   92.300   19.314   27.985   2.9611   27.441   3.0311 0.5439835 4.237420 
1 1 1   24    7   16 o   62.157   3.6473  476.271   53.299  551.500   75.416  401.200   75.336   65.823   4.8869   55.225   5.8669 10.59834 7.635581 
1 1 1   24    7   17 o   40.041   2.5833  194.093   24.295  236.500   34.361  151.700   34.355   43.863   3.3426   34.620   4.2947 9.243359 5.442165 
1 1 1   24    7   18 o   46.552   2.7876  263.399   30.502  306.600   43.264  220.700   43.011   49.702   3.7131   41.691   4.4371 8.010963 5.785741 
1 1 1   24    7   19 o   37.772   2.5011  172.768   22.182  187.500   31.351  158.000   31.390   38.931   3.4459   35.540   3.7991 3.391136 5.129083 
1 1 1   24    7   20 o   10.747   1.8463   14.177   4.5166   21.400   6.2535   6.3000   6.5304   13.212   2.0727   7.7816   2.7935 5.430198 3.478440 
1 1 1   24    7   21 o   66.706   3.7661  554.145   59.081  656.600   83.698  452.400   83.408   71.243   5.0070   57.755   6.2136 13.48808 7.979948 
1 1 1   24    7   22 o  ?   ?   -2.5485   0.4030  -4.8000   0.6748  -1.3000   0.5025  ?   ?    1.0362   0.5161 0.000000 0.5161182 
1 1 1   24    7   23 o   15.270   1.6636   28.148   5.9017   32.700   8.3950   23.700   8.2983   16.341   2.2341   13.764   2.6493 2.576923 3.465551 
1 1 1   24    7   24 o   20.517   1.7554   50.685   8.4225   60.800   12.011   40.900   11.814   22.337   2.3106   18.112   2.8570 4.224758 3.674419 
1 1 1   24    7   25 o   18.778   1.7370   42.546   7.6149   49.200   10.813   36.000   10.725   20.045   2.3279   16.972   2.7718 3.072462 3.619693 
1 1 1   24    7   26 o   26.035   1.8231   81.719   11.137  101.900   15.884   62.200   15.621   28.900   2.3477   22.270   3.0506 6.630201 3.849463 
1 1 1   24    7   27 o   11.680   1.7879   16.740   4.7740   17.500   7.0599   16.100   6.4801   11.744   2.6132   11.281   2.4985 0.4630108 3.615472 
1 1 1   24    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    7   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8    0 o   27.908   3.0640   96.000   19.572   96.000   19.572   96.000   19.572   27.908   3.0640   27.908   3.0640 0.000000 0.000000 
1 1 1   24    8    1 o   59.027   3.3964  421.609   47.141  465.700   66.736  377.700   66.598   61.419   4.6356   54.974   5.1918 6.445259 6.960096 
1 1 1   24    8    2 o   20.238   1.7822   49.017   8.4299   43.100   11.889   55.000   11.955   18.779   2.7637   21.334   2.4157 -2.554581 3.670649 
1 1 1   24    8    3 o   40.531   2.5727  197.184   24.495  185.500   34.618  208.900   34.664   38.926   3.8153   41.413   3.5799 -2.487251 5.231860 
1 1 1   24    8    4 o   35.051   2.3468  147.250   19.311  147.000   27.308  147.500   27.313   34.749   3.3703   34.811   3.3647 -0.6145477E-01 4.762398 
1 1 1   24    8    5 o   45.690   2.8166  251.291   30.240  237.600   42.752  265.000   42.780   43.924   4.1719   46.511   3.9320 -2.586758 5.732800 
1 1 1   24    8    6 o   28.293   2.0429   95.807   13.556   85.100   19.133  106.600   19.211   26.408   3.1290   29.690   2.7722 -3.281624 4.180413 
1 1 1   24    8    7 o   18.157   1.7390   39.528   7.3648   33.400   10.397   45.700   10.434   16.471   2.7715   19.430   2.3200 -2.958635 3.614376 
1 1 1   24    8    8 o   46.943   2.8727  265.822   31.691  259.300   44.724  272.400   44.912   45.826   4.1790   47.022   4.0855 -1.195839 5.844227 
1 1 1   24    8    9 o   21.651   1.8177   56.148   9.2072   62.100   13.079   50.300   12.964   22.644   2.4870   20.283   2.7798 2.360579 3.729897 
1 1 1   24    8   10 o   37.730   2.4726  171.254   21.908  166.100   30.995  176.400   30.969   36.772   3.6163   37.952   3.4950 -1.179638 5.029201 
1 1 1   24    8   11 o   9.0667   1.6885   10.086   3.4821   15.500   4.9081   4.6000   4.9408   11.253   1.9157   6.7470   2.4290 4.505960 3.093564 
1 1 1   24    8   12 o   10.724   1.6700   13.997   4.0914   13.800   5.7406   14.200   5.8326   10.531   2.3662   10.684   2.3736 -0.1528120 3.351600 
1 1 1   24    8   13 o   8.6778   1.7428   9.2796   3.4472   5.8000   4.9331   12.600   4.8190   7.2022   2.4378   10.089   2.0915 -2.886667 3.211992 
1 1 1   24    8   14 o   37.214   2.4573  167.000   21.472  179.900   30.366  154.100   30.366   38.277   3.3949   35.277   3.7005 3.000076 5.021864 
1 1 1   24    8   15 o   12.051   1.7152   17.634   4.7429   21.100   6.6296   14.000   6.7882   13.098   2.2229   10.575   2.7070 2.523444 3.502712 
1 1 1   24    8   16 o   30.226   2.1742  110.009   15.415  111.300   21.726  108.700   21.874   30.108   3.1002   29.727   3.1648 0.3808537 4.430218 
1 1 1   24    8   17 o   24.014   1.9458   69.362   10.939   76.800   15.458   61.900   15.482   25.089   2.6492   22.389   3.0043 2.700525 4.005511 
1 1 1   24    8   18 o   31.079   2.1227  116.282   15.485  148.100   21.940   84.700   21.858   34.901   2.6826   25.984   3.6641 8.917253 4.541207 
1 1 1   24    8   19 o   39.740   2.5080  191.218   23.415  225.100   33.178  157.600   33.049   42.747   3.3128   35.368   4.0291 7.379299 5.216154 
1 1 1   24    8   20 o   29.323   2.0748  103.566   14.274  138.900   20.254   68.700   20.119   33.819   2.5550   23.281   3.7902 10.53876 4.571004 
1 1 1   24    8   21 o   12.690   1.5827   19.477   4.6396   31.500   6.6097   7.8000   6.5141   16.150   1.7618   8.2748   2.8013 7.874741 3.309255 
1 1 1   24    8   22 o   47.386   2.7818  273.778   30.990  332.200   43.948  216.000   43.706   51.657   3.6258   40.960   4.5981 10.69704 5.855692 
1 1 1   24    8   23 o   14.040   1.6534   23.838   5.3768   26.800   7.8338   21.200   7.3931   14.742   2.3276   13.038   2.4923 1.704418 3.410159 
1 1 1   24    8   24 o   40.483   2.5671  199.638   24.413  233.600   34.557  165.800   34.494   43.313   3.4062   36.009   4.1314 7.303852 5.354560 
1 1 1   24    8   25 o   32.437   1.9594  126.891   14.938  167.500   21.275   87.400   20.980   37.077   2.4436   26.293   3.4633 10.78397 4.238575 
1 1 1   24    8   26 o   6.8458   1.7439   5.8317   2.8269   5.7000   3.7743   6.0000   4.2665   6.8681   2.1172   7.0939   2.2604 -0.2258496 3.097110 
1 1 1   24    8   27 o   20.736   2.7099   53.600   12.952   0.0000   0.0000   53.600   12.952  ?   ?    20.736   2.7099 0.000000 2.709880 
1 1 1   24    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    8   42 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9    0 o   9.5080   2.8194   13.200   5.5066   13.200   5.5066   13.200   5.5066   9.5080   2.8194   9.5080   2.8194 0.000000 0.000000 
1 1 1   24    9    1 o   53.412   3.1819  344.680   39.949  326.300   56.467  363.100   56.527   51.272   4.7168   54.247   4.4521 -2.974815 6.486139 
1 1 1   24    9    2 o   29.480   2.0974  104.013   14.505  120.500   20.536   87.600   20.490   31.588   2.7815   26.758   3.3137 4.829994 4.326369 
1 1 1   24    9    3 o   38.006   2.4730  173.346   22.073  180.500   31.225  166.200   31.209   38.490   3.4729   36.869   3.6319 1.621437 5.025085 
1 1 1   24    9    4 o   42.346   2.6765  215.654   26.626  217.300   37.615  214.000   37.695   42.115   3.8240   41.776   3.8650 0.3395195 5.437043 
1 1 1   24    9    5 o   46.528   2.8695  260.951   31.374  262.500   44.362  259.400   44.377   46.177   4.1114   45.888   4.1399 0.2884674 5.834590 
1 1 1   24    9    6 o   7.3331   1.6810   6.6417   2.8486   8.4000   3.9826   4.8000   4.0760   8.2373   2.0544   6.5675   2.2159 1.669754 3.021725 
1 1 1   24    9    7 o   31.910   2.2170  122.092   16.602  127.100   23.497  117.100   23.459   32.326   3.1169   30.974   3.2561 1.351206 4.507473 
1 1 1   24    9    8 o   22.699   1.8714   61.729   9.9411   66.400   14.091   57.100   14.027   23.398   2.5940   21.624   2.8138 1.773684 3.827007 
1 1 1   24    9    9 o   67.545   3.9542  560.601   62.793  560.400   88.943  560.800   88.663   66.119   5.7540   66.163   5.7316 -0.4389191E-01 8.121561 
1 1 1   24    9   10 o   46.386   2.8205  260.047   30.747  294.600   43.517  225.600   43.450   48.938   3.7954   42.495   4.3935 6.442539 5.805838 
1 1 1   24    9   11 o   52.449   3.1455  334.266   38.777  365.700   54.868  302.900   54.809   54.201   4.3229   49.009   4.7976 5.192440 6.457881 
1 1 1   24    9   12 o   65.588   3.8268  529.400   59.011  553.700   83.540  505.200   83.368   65.762   5.4282   62.547   5.7075 3.214668 7.876595 
1 1 1   24    9   13 f   13.004   1.6702   20.445   5.0104   20.300   6.9734   20.600   7.2037   12.812   2.3930   12.896   2.4554 -0.8382988E-01 3.428600 
1 1 1   24    9   14 o   38.645   2.5031  180.271   22.719  175.000   32.043  185.600   32.217   37.614   3.6537   38.790   3.5568 -1.176525 5.099089 
1 1 1   24    9   15 o   41.966   2.6592  213.278   26.216  261.100   37.083  165.500   37.066   46.079   3.4327   36.134   4.4373 9.944294 5.610093 
1 1 1   24    9   16 o   42.948   2.7174  223.736   27.417  239.100   38.791  208.400   38.755   43.870   3.7815   40.772   4.0801 3.097950 5.562990 
1 1 1   24    9   17 o   20.802   1.8369   52.055   8.9303   52.500   12.566   51.600   12.694   20.695   2.6308   20.498   2.6873 0.1971703 3.760672 
1 1 1   24    9   18 o   63.874   3.8567  507.617   57.898  560.000   81.828  455.100   81.933   65.620   5.3269   58.382   6.0300 7.237904 8.045897 
1 1 1   24    9   19 o   34.306   2.3607  142.282   19.008  157.200   26.852  127.300   26.910   35.721   3.2180   31.933   3.6334 3.788181 4.853568 
1 1 1   24    9   20 o   21.786   1.7191   56.979   8.7721   81.400   12.489   33.200   12.324   25.982   2.0523   16.174   3.3374 9.807901 3.917977 
1 1 1   24    9   21 o   38.076   2.3814  175.396   21.304  217.800   30.202  133.400   30.056   42.130   3.0567   32.465   4.0056 9.664711 5.038657 
1 1 1   24    9   22 o   41.782   2.5952  212.227   25.478  245.800   36.098  178.900   35.966   44.491   3.4632   37.529   4.1266 6.961823 5.387246 
1 1 1   24    9   23 o   41.288   2.5458  207.217   24.699  238.700   35.032  176.100   34.827   43.838   3.4111   37.256   4.0227 6.581852 5.274190 
1 1 1   24    9   24 o   7.0014   1.6881   6.0918   2.7584   6.6000   3.9334   5.6000   3.8692   7.3312   2.1394   6.8468   2.1491 0.4843965 3.032475 
1 1 1   24    9   25 o   44.599   2.5334  242.797   26.571  304.800   37.763  182.000   37.394   49.478   3.2502   37.448   4.3072 12.02958 5.395893 
1 1 1   24    9   26 o   31.489   3.3437  125.000   24.482  125.000   24.482   0.0000   0.0000   31.489   3.3437  ?   ?  0.000000 3.343680 
1 1 1   24    9   27 o   24.930   2.9252   77.800   16.893   0.0000   0.0000   77.800   16.893  ?   ?    24.930   2.9252 0.000000 2.925225 
1 1 1   24    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24    9   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10    0 o   49.667   4.4019  303.700   50.694  303.700   50.694  303.700   50.694   49.667   4.4019   49.667   4.4019 0.000000 0.000000 
1 1 1   24   10    1 o   9.8303   1.6591   11.786   3.7141   14.300   5.3229   9.4000   5.1848   10.764   2.1691   8.7401   2.4262 2.024135 3.254470 
1 1 1   24   10    2 o   7.8506   1.7123   7.6041   3.0850   8.5000   4.4857   6.8000   4.2495   8.3021   2.2375   7.5028   2.2329 0.7993536 3.161082 
1 1 1   24   10    3 o   52.014   3.1293  327.141   38.256  321.600   54.060  332.700   54.145   50.915   4.5442   51.833   4.4673 -0.9184036 6.372384 
1 1 1   24   10    4 o   25.109   1.9619   75.498   11.540   71.100   16.317   79.900   16.324   24.154   2.9201   25.670   2.7350 -1.516623 4.000916 
1 1 1   24   10    5 o   68.380   3.8300  571.349   61.594  489.000   87.001  654.100   87.213   61.712   6.0480   72.218   5.1479 -10.50581 7.942207 
1 1 1   24   10    6 o   32.423   2.2333  126.086   16.994  120.500   24.003  131.700   24.065   31.409   3.2849   32.897   3.1358 -1.487831 4.541332 
1 1 1   24   10    7 o   15.905   1.6999   30.402   6.2853   32.600   8.8839   28.200   8.8935   16.347   2.3707   15.136   2.5809 1.211154 3.504446 
1 1 1   24   10    8 o   49.705   3.0507  299.327   35.633  285.400   50.441  313.200   50.345   47.812   4.5214   50.238   4.2848 -2.426517 6.229141 
1 1 1   24   10    9 o   32.108   2.1443  123.662   16.164  148.800   22.923   98.800   22.797   35.053   2.7926   28.304   3.4844 6.748213 4.465424 
1 1 1   24   10   10 o   42.396   2.6389  216.840   26.287  232.300   37.248  201.500   37.104   43.467   3.6631   40.334   3.9462 3.132584 5.384326 
1 1 1   24   10   11 o   20.507   1.7733   50.431   8.5027   58.600   12.076   42.400   11.974   21.995   2.3622   18.558   2.8212 3.437006 3.679538 
1 1 1   24   10   12 o   41.463   2.5748  207.464   25.085  237.600   35.526  177.500   35.425   44.019   3.4453   37.743   4.0373 6.275364 5.307510 
1 1 1   24   10   13 o   49.959   3.0715  303.770   36.059  318.700   50.961  288.800   51.030   50.456   4.3188   47.853   4.5716 2.602604 6.289038 
1 1 1   24   10   14 o   32.295   2.2432  125.597   17.001  128.600   24.055  122.600   24.030   32.365   3.1889   31.563   3.2717 0.8026123 4.568716 
1 1 1   24   10   15 o   39.586   2.5736  189.607   23.927  192.000   33.786  187.200   33.889   39.349   3.6788   38.818   3.7435 0.5308418 5.248589 
1 1 1   24   10   16 o   10.153   1.6790   12.600   3.8848   6.6000   5.4939   18.600   5.4939   7.6335   2.5726   12.330   1.9520 -4.696038 3.229369 
1 1 1   24   10   17 o   21.710   1.8700   56.702   9.4929   56.900   13.370   56.500   13.481   21.539   2.6871   21.452   2.7225 0.8701324E-01 3.825229 
1 1 1   24   10   18 o   41.530   2.6688  209.405   26.033  220.000   36.807  198.800   36.826   42.021   3.7487   39.805   3.9709 2.216564 5.460865 
1 1 1   24   10   19 o   29.730   2.1035  106.494   14.672  129.700   20.797   83.500   20.702   32.614   2.7255   25.845   3.4806 6.768913 4.420748 
1 1 1   24   10   20 o   32.918   2.2220  130.792   17.171  159.500   24.329  102.300   24.237   36.111   2.8770   28.541   3.6821 7.570452 4.672835 
1 1 1   24   10   21 o   10.610   1.6837   13.752   4.0773   13.900   5.7268   13.600   5.8063   10.540   2.3598   10.418   2.4084 0.1219368 3.371811 
1 1 1   24   10   22 o   4.7109   1.5659   2.5058   2.0359  -3.3000   2.9336   7.9000   2.8276   3.1775   1.4991   8.0094   1.5511 -4.831888 2.157149 
1 1 1   24   10   23 o   22.784   1.6915   62.349   9.0354   85.500   12.922   40.200   12.639   26.597   2.0739   17.867   3.1085 8.729073 3.736810 
1 1 1   24   10   24 o   23.642   1.8445   67.401   10.216   81.100   14.527   54.000   14.368   25.764   2.4160   20.771   3.0178 4.993147 3.865803 
1 1 1   24   10   25 o   19.064   1.5821   43.726   7.0578   60.700   10.128   27.700   9.8408   22.390   1.9346   14.777   2.9237 7.613025 3.505773 
1 1 1   24   10   26 o   20.775   1.8524   52.291   8.9922   57.500   13.063   47.600   12.397   21.531   2.6236   19.510   2.7686 2.020807 3.814188 
1 1 1   24   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   10   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11    0 f   44.876   4.0703  247.700   42.316  247.700   42.316  247.700   42.316   44.876   4.0703   44.876   4.0703 0.000000 0.000000 
1 1 1   24   11    1 o   38.621   2.5174  179.262   22.833  165.600   32.305  192.900   32.277   36.709   3.7809   39.763   3.4724 -3.053890 5.133531 
1 1 1   24   11    2 o   40.870   2.5911  200.882   24.877  192.200   35.145  209.600   35.218   39.557   3.8096   41.391   3.6403 -1.833614 5.269239 
1 1 1   24   11    3 f   36.771   2.4229  162.399   20.920  164.800   29.593  160.000   29.577   36.728   3.4528   36.165   3.5075 0.5624123 4.921817 
1 1 1   24   11    4 o   49.320   3.0081  294.101   34.865  283.400   49.309  304.800   49.304   47.769   4.4216   49.645   4.2467 -1.875980 6.130610 
1 1 1   24   11    5 o   37.445   2.4539  168.548   21.578  175.000   30.521  162.100   30.510   37.834   3.4544   36.347   3.6022 1.486752 4.990870 
1 1 1   24   11    6 o   24.517   1.9236   72.022   11.047   79.600   15.651   64.500   15.593   25.628   2.6232   22.961   2.9438 2.667276 3.943002 
1 1 1   24   11    7 f   26.701   2.0284   85.506   12.693   82.800   17.972   88.200   17.931   26.040   2.9763   26.917   2.8651 -0.8770294 4.131215 
1 1 1   24   11    8 o   24.100   1.9595   69.685   11.055   74.800   15.580   64.500   15.687   24.803   2.7040   22.941   2.9652 1.861221 4.013003 
1 1 1   24   11    9 o   34.006   2.3120  139.046   18.455  148.100   26.106  130.000   26.093   34.816   3.2116   32.516   3.4511 2.300205 4.714283 
1 1 1   24   11   10 o   6.9496   1.6715   5.9739   2.7094   7.1000   3.7925   4.8000   3.8721   7.5883   2.0625   6.5034   2.1594 1.084877 2.986134 
1 1 1   24   11   11 o   24.837   1.8991   73.975   11.054   85.800   15.682   62.300   15.582   26.610   2.5260   22.508   3.0070 4.102680 3.927194 
1 1 1   24   11   12 o   25.469   1.9793   77.897   11.810   84.100   16.706   71.700   16.699   26.276   2.7324   24.165   2.9902 2.110706 4.050613 
1 1 1   24   11   13 o   29.543   2.0705  104.863   14.353   96.600   20.192  113.300   20.405   28.046   3.1008   30.479   2.8689 -2.432663 4.224436 
1 1 1   24   11   14 o   1.6133   0.7762  -1.3212   0.8699  -3.2000   1.1397   1.3000   1.3462   1.5135   0.7574   3.5726   1.2698 -2.059184 1.478575 
1 1 1   24   11   15 o   32.905   2.2771  130.555   17.584  141.300   24.862  119.800   24.874   33.930   3.1386   31.098   3.4451 2.832214 4.660427 
1 1 1   24   11   16 f   23.361   1.9276   65.653   10.539   68.400   14.895   62.900   14.913   23.638   2.7179   22.614   2.8565 1.024366 3.942857 
1 1 1   24   11   17 o   29.125   2.1343  102.212   14.576  104.200   20.553  100.200   20.675   29.115   3.0341   28.512   3.1217 0.6023064 4.353275 
1 1 1   24   11   18 o   39.258   2.5700  186.867   23.693  210.500   33.494  163.200   33.519   41.243   3.4715   36.004   4.0107 5.239620 5.304406 
1 1 1   24   11   19 o   20.403   1.8142   50.107   8.6491   56.600   12.272   43.700   12.191   21.532   2.4578   18.777   2.8382 2.755028 3.754447 
1 1 1   24   11   20 f   26.967   2.0336   87.633   12.854  101.900   18.190   73.400   18.168   28.879   2.6987   24.278   3.2507 4.601013 4.224925 
1 1 1   24   11   21 o   31.411   2.3147  119.484   17.048  137.300   23.987  101.300   24.234   33.375   3.0783   28.354   3.7084 5.021597 4.819521 
1 1 1   24   11   22 o  ?   ?   -3.2110   0.4705   0.6000   1.1360  -4.0000   0.5169   2.9155   1.1393  ?   ?  0.000000 1.139285 
1 1 1   24   11   23 o   13.838   1.6462   23.185   5.2736   28.900   7.5015   17.600   7.4154   15.359   2.1253   11.797   2.7178 3.561461 3.450126 
1 1 1   24   11   24 o   17.047   1.7164   35.123   6.8151   39.500   9.7250   30.900   9.5534   17.915   2.3559   15.718   2.6695 2.197597 3.560408 
1 1 1   24   11   25 o   27.184   1.9582   89.388   12.486  120.100   17.779   59.500   17.539   31.342   2.4210   21.524   3.5762 9.818054 4.318579 
1 1 1   24   11   26 o   19.855   2.7068   49.200   12.360   0.0000   0.0000   49.200   12.360  ?   ?    19.855   2.7068 0.000000 2.706846 
1 1 1   24   11   27 o   19.831   2.7023   49.200   12.325   0.0000   0.0000   49.200   12.325  ?   ?    19.831   2.7023 0.000000 2.702304 
1 1 1   24   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   11   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12    0 o   25.104   2.9348   78.100   16.776   78.100   16.776   78.100   16.776   25.104   2.9348   25.104   2.9348 0.000000 0.000000 
1 1 1   24   12    1 o   32.791   2.2619  129.050   17.407  129.600   24.627  128.500   24.607   32.585   3.2436   32.442   3.2561 0.1435013 4.595995 
1 1 1   24   12    2 o   15.806   1.6120   29.980   5.9326   23.000   8.2922   37.300   8.4912   13.617   2.6743   17.565   2.0882 -3.947775 3.392980 
1 1 1   24   12    3 o   13.775   1.6980   22.892   5.4065   18.500   7.6389   27.300   7.6531   12.178   2.7246   14.959   2.2351 -2.781354 3.524061 
1 1 1   24   12    4 o   50.629   2.9026  309.758   34.557  382.800   48.935  237.100   48.806   55.895   3.7289   43.373   4.8483 12.52242 6.116438 
1 1 1   24   12    5 o   31.344   2.2148  117.966   16.287  133.700   23.021  102.200   23.045   33.166   2.9710   28.810   3.4564 4.355827 4.557792 
1 1 1   24   12    6 o   6.8235   1.7534   5.7492   2.8405   6.1000   4.4072   5.5000   3.7150   7.2095   2.2974   6.7972   2.1014 0.4122448 3.113488 
1 1 1   24   12    7 o   51.172   3.1039  317.896   37.329  320.400   52.831  315.400   52.751   50.647   4.4631   50.228   4.4951 0.4186363 6.334394 
1 1 1   24   12    8 o   48.463   2.9724  284.699   33.852  271.600   47.871  297.800   47.876   46.620   4.4006   48.960   4.1812 -2.340820 6.070217 
1 1 1   24   12    9 o   23.318   1.9132   65.250   10.442   61.500   14.767   69.000   14.767   22.410   2.8553   23.806   2.6730 -1.396111 3.911238 
1 1 1   24   12   10 o   10.073   1.6057   12.358   3.6911   16.400   5.4356   8.9000   5.0281   11.548   2.0693   8.5006   2.3998 3.047659 3.168774 
1 1 1   24   12   11 o   33.723   2.2830  136.874   18.073  150.700   25.583  123.100   25.535   35.112   3.1180   31.573   3.4830 3.539812 4.674747 
1 1 1   24   12   12 o   34.002   2.3503  139.391   18.755  155.100   26.489  123.600   26.557   35.578   3.1868   31.556   3.6302 4.022030 4.830567 
1 1 1   24   12   13 o   43.826   2.6578  232.508   27.376  280.800   38.813  184.700   38.618   47.780   3.4636   38.248   4.3534 9.532700 5.563109 
1 1 1   24   12   14 o   45.983   2.8122  256.819   30.389  285.900   43.036  227.900   42.916   47.967   3.8315   42.498   4.3373 5.469242 5.787258 
1 1 1   24   12   15 o   11.832   1.6595   16.994   4.5089   18.400   6.3902   15.600   6.3630   12.186   2.3051   11.171   2.4771 1.014816 3.383685 
1 1 1   24   12   16 f   29.432   2.1180  104.324   14.621  110.900   20.719   97.800   20.637   30.079   2.9552   28.156   3.1584 1.923084 4.325345 
1 1 1   24   12   17 o   10.763   1.6890   14.133   4.1511   14.700   5.9644   13.600   5.7810   10.848   2.3927   10.428   2.3977 0.4192657 3.387321 
1 1 1   24   12   18 o   45.348   2.8763  250.841   30.641  300.400   43.315  201.200   43.351   49.097   3.7648   39.521   4.7399 9.576828 6.053137 
1 1 1   24   12   19 o   49.908   3.1385  305.599   36.799  356.800   51.992  254.200   52.093   53.194   4.1726   44.176   5.0867 9.018406 6.579123 
1 1 1   24   12   20 o   14.100   1.6873   24.050   5.5061   20.400   7.7868   27.700   7.7868   12.749   2.6720   15.014   2.2669 -2.265288 3.504067 
1 1 1   24   12   21 o   9.3272   1.7127   10.706   3.6332   11.100   5.1016   10.300   5.1755   9.4160   2.3115   9.0768   2.3840 0.3391743 3.320603 
1 1 1   24   12   22 f   27.639   1.9877   92.126   12.886  120.100   18.281   64.500   18.167   31.402   2.4857   22.570   3.5238 8.831413 4.312294 
1 1 1   24   12   23 o   34.285   2.2837  142.660   18.383  176.400   26.033  109.100   25.964   37.817   2.9383   29.226   3.8563 8.590631 4.848150 
1 1 1   24   12   24 o   2.4039   1.0526  -0.2726   1.1397   0.0000   2.0192  -0.4000   1.3807   3.3829   1.4404   2.6127   1.1509 0.7701902 1.843745 
1 1 1   24   12   25 o   10.986   1.8207   14.867   4.5580   8.0000   6.4781   21.600   6.4143   8.2854   2.7936   13.212   2.1282 -4.927048 3.511896 
1 1 1   24   12   26 o   11.690   2.5088   17.300   6.7184   0.0000   0.0000   17.300   6.7184  ?   ?    11.690   2.5088 0.000000 2.508838 
1 1 1   24   12   27 o   5.3549   2.0171   2.6000   3.4724   0.0000   0.0000   2.6000   3.4724  ?   ?    5.3549   2.0171 0.000000 2.017124 
1 1 1   24   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   12   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13    0 o   17.445   2.7012   38.700   10.333   38.700   10.333   38.700   10.333   17.445   2.7012   17.445   2.7012 0.000000 0.000000 
1 1 1   24   13    1 o   69.078   3.9558  586.911   64.259  537.600   90.794  636.400   90.958   64.424   6.0387   70.656   5.4949 -6.231842 8.164503 
1 1 1   24   13    2 o   20.148   1.8167   48.706   8.5503   44.700   12.101   52.700   12.083   19.091   2.7648   20.822   2.5079 -1.731146 3.732789 
1 1 1   24   13    3 o   29.734   2.1316  106.096   14.867  110.600   21.034  101.600   21.016   30.131   2.9961   28.824   3.1385 1.307188 4.338986 
1 1 1   24   13    4 o   18.627   1.7558   41.645   7.6318   43.400   10.809   39.900   10.777   18.870   2.4864   18.053   2.6032 0.8172073 3.599840 
1 1 1   24   13    5 o   76.758   4.3803  731.981   79.065  825.400  111.886  638.800  111.744   79.857   5.9768   69.180   6.9338 10.67708 9.154190 
1 1 1   24   13    6 o   93.642   5.6134  1123.17  123.552  1019.00  174.868  1227.00  174.589   84.402   8.9085   94.376   7.9070 -9.973709 11.91144 
1 1 1   24   13    7 o   33.783   2.3002  137.245   18.241  126.300   25.790  148.200   25.802   32.031   3.4649   34.835   3.1715 -2.803123 4.697237 
1 1 1   24   13    8 o   30.638   2.1761  112.802   15.641  111.500   22.135  114.100   22.104   30.174   3.1532   30.542   3.1082 -0.3681583 4.427581 
1 1 1   24   13    9 f   68.032   3.9521  572.021   63.215  602.900   89.515  541.300   89.285   68.354   5.5949   64.410   5.9372 3.944374 8.158008 
1 1 1   24   13   10 o   30.011   2.1640  108.312   15.233   98.600   21.556  118.000   21.529   28.287   3.2884   31.089   2.9686 -2.801985 4.430177 
1 1 1   24   13   11 o   16.289   1.7247   31.950   6.5327   29.900   9.2386   34.000   9.2386   15.557   2.6071   16.659   2.4192 -1.102365 3.556657 
1 1 1   24   13   12 o   19.255   1.7443   44.536   7.8447   50.700   11.153   38.500   11.036   20.420   2.3562   17.663   2.7343 2.757179 3.609484 
1 1 1   24   13   13 o   58.997   3.3166  426.494   46.017  497.100   65.220  356.500   64.937   62.837   4.4236   52.450   5.3165 10.38696 6.916161 
1 1 1   24   13   14 o   26.982   2.0310   87.587   12.846   93.000   18.187   82.200   18.145   27.573   2.8336   25.841   3.0312 1.732298 4.149443 
1 1 1   24   13   15 o   14.431   1.6575   25.130   5.5457   28.900   7.9180   21.500   7.7698   15.363   2.2493   13.131   2.5979 2.232280 3.436304 
1 1 1   24   13   16 o   42.123   2.5942  215.034   25.678  256.400   36.366  173.900   36.264   45.601   3.4016   37.080   4.2165 8.520996 5.417575 
1 1 1   24   13   17 o   57.604   3.3120  407.999   44.861  480.000   63.532  336.400   63.355   61.585   4.3977   50.677   5.3763 10.90709 6.945849 
1 1 1   24   13   18 f   25.703   1.9892   79.556   11.979   93.500   16.968   65.700   16.914   27.687   2.6268   22.976   3.2048 4.710995 4.143747 
1 1 1   24   13   19 o   14.409   1.6761   25.090   5.5964   32.400   7.9476   17.900   7.8818   16.302   2.1144   11.906   2.8427 4.396061 3.542819 
1 1 1   24   13   20 o   22.967   1.9317   63.587   10.379   78.800   14.660   48.300   14.695   25.429   2.4727   19.591   3.2934 5.837561 4.118385 
1 1 1   24   13   21 o   15.448   1.7062   28.842   6.1202   36.500   8.6886   21.300   8.6225   17.290   2.1763   12.975   2.8886 4.315317 3.616692 
1 1 1   24   13   22 o   8.3599   1.5480   8.5968   2.9433   15.800   4.4077   2.8000   3.9540   11.378   1.6920   5.6670   2.1483 5.710887 2.734610 
1 1 1   24   13   23 o   53.862   2.9446  357.499   37.309  468.500   52.932  247.900   52.597   60.964   3.6943   42.857   5.3110 18.10751 6.469547 
1 1 1   24   13   24 o   46.149   2.9334  263.408   31.801  292.700   45.005  234.200   44.941   47.721   4.0316   42.161   4.5881 5.560047 6.107708 
1 1 1   24   13   25 o   14.925   2.6205   28.000   8.8988   0.0000   0.0000   28.000   8.8988  ?   ?    14.925   2.6205 0.000000 2.620520 
1 1 1   24   13   26 o   19.776   2.7448   49.000   12.472   0.0000   0.0000   49.000   12.472  ?   ?    19.776   2.7448 0.000000 2.744776 
1 1 1   24   13   27 f   17.146   2.6396   37.000   10.344   0.0000   0.0000   37.000   10.344  ?   ?    17.146   2.6396 0.000000 2.639551 
1 1 1   24   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   13   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14    0 o   42.959   3.9562  227.600   39.350  227.600   39.350  227.600   39.350   42.959   3.9562   42.959   3.9562 0.000000 0.000000 
1 1 1   24   14    1 o   95.272   5.5503  1159.59  124.325  1065.10  175.768  1254.20  175.876   86.711   8.7017   95.563   7.8637 -8.852570 11.72844 
1 1 1   24   14    2 o   39.678   2.5767  189.820   24.012  166.500   33.972  213.100   33.943   36.617   3.9937   41.706   3.4783 -5.089607 5.296073 
1 1 1   24   14    3 o   57.938   3.4474  409.850   46.952  409.900   66.426  409.800   66.373   56.934   4.9912   56.930   4.9876 0.4348755E-02 7.056080 
1 1 1   24   14    4 o   28.782   2.1026   99.450   14.192  103.500   20.070   95.400   20.070   29.135   2.9582   27.918   3.0965 1.217163 4.282454 
1 1 1   24   14    5 o   18.238   1.7563   39.953   7.4701   38.300   10.573   41.600   10.556   17.670   2.6127   18.461   2.4844 -0.7910900 3.605372 
1 1 1   24   14    6 o   37.027   2.3786  165.003   20.687  177.700   29.429  152.600   29.087   38.104   3.3034   35.194   3.5484 2.909847 4.848033 
1 1 1   24   14    7 o   38.964   2.5487  183.221   23.321  174.400   33.020  192.000   32.942   37.530   3.7773   39.488   3.5715 -1.958210 5.198418 
1 1 1   24   14    8 o   23.614   1.9222   66.954   10.625   68.400   15.003   65.500   15.049   23.671   2.7344   23.136   2.8125 0.5354958 3.922648 
1 1 1   24   14    9 o   42.608   2.5690  219.247   25.727  253.400   36.493  185.500   36.275   45.434   3.4266   38.540   4.0463 6.893631 5.302315 
1 1 1   24   14   10 o   31.736   2.2223  121.251   16.549  120.300   23.413  122.200   23.395   31.287   3.2148   31.547   3.1841 -0.2598953 4.524790 
1 1 1   24   14   11 o   26.196   2.0034   82.485   12.298   87.300   17.419   77.700   17.366   26.735   2.8008   25.149   2.9824 1.585735 4.091386 
1 1 1   24   14   12 o   43.064   2.7070  224.876   27.387  236.800   38.771  213.000   38.692   43.650   3.7994   41.260   4.0224 2.390457 5.533116 
1 1 1   24   14   13 o   18.518   1.7743   41.264   7.6637   44.300   10.813   38.200   10.864   19.035   2.4633   17.592   2.7016 1.443695 3.656020 
1 1 1   24   14   14 o   31.977   2.1988  123.202   16.501  141.200   23.368  105.300   23.305   33.984   2.9410   29.115   3.4574 4.868505 4.539022 
1 1 1   24   14   15 o   55.053   3.3225  372.345   42.991  376.600   60.837  368.100   60.759   54.248   4.7988   53.581   4.8549 0.6672020 6.826279 
1 1 1   24   14   16 o   23.016   1.9064   63.749   10.268   64.200   14.542   63.300   14.500   22.870   2.7478   22.703   2.7617 0.1675167 3.895773 
1 1 1   24   14   17 o   30.744   2.0977  113.834   15.138  135.600   21.465   92.300   21.351   33.341   2.7510   27.226   3.3947 6.115015 4.369413 
1 1 1   24   14   18 o   14.142   1.6142   24.138   5.2940   32.100   7.5657   16.500   7.4104   16.250   2.0148   11.441   2.7721 4.809794 3.427001 
1 1 1   24   14   19 o   11.882   1.6190   17.135   4.4243   21.700   6.4175   13.000   6.1079   13.290   2.1159   10.174   2.5479 3.115385 3.311941 
1 1 1   24   14   20 o   26.037   2.0119   81.777   12.274   93.000   17.376   70.600   17.341   27.551   2.7057   23.807   3.1630 3.744503 4.162372 
1 1 1   24   14   21 o   55.796   3.1574  384.167   41.429  486.300   58.729  283.000   58.450   61.967   4.0356   45.897   5.5028 16.07001 6.823957 
1 1 1   24   14   22 o   52.994   3.4559  351.046   43.009  413.100   60.656  288.300   60.993   56.333   4.6000   45.836   5.7626 10.49674 7.373387 
1 1 1   24   14   23 o   28.233   1.9575   96.317   12.969  120.500   18.491   72.900   18.196   31.369   2.5175   24.029   3.2936 7.340855 4.145500 
1 1 1   24   14   24 o   42.634   2.5521  222.776   25.575  284.600   36.508  163.200   35.838   47.666   3.2631   35.210   4.4069 12.45652 5.483501 
1 1 1   24   14   25 o   28.495   3.1379  102.200   20.763   0.0000   0.0000  102.200   20.763  ?   ?    28.495   3.1379 0.000000 3.137859 
1 1 1   24   14   26 o   6.4235   2.2879   4.4000   4.3724   0.0000   0.0000   4.4000   4.3724  ?   ?    6.4235   2.2879 0.000000 2.287926 
1 1 1   24   14   27 o  ?   ?   -6.1000   0.9045   0.0000   0.0000  -6.1000   0.9045  ?   ?   ?   ?  0.000000      ? 
1 1 1   24   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   14   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15    0 o  ?   ?   -4.0000   0.5312  -4.0000   0.5312  -4.0000   0.5312  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   24   15    1 f   45.814   2.8533  254.160   30.716  239.300   43.452  269.000   43.424   43.789   4.2561   46.598   3.9848 -2.809010 5.830292 
1 1 1   24   15    2 f   74.401   4.3592  689.112   76.251  766.900  107.827  611.300  107.843   76.783   5.9946   67.575   6.8532 9.207581 9.105025 
1 1 1   24   15    3 o   44.649   2.7941  241.253   29.310  232.500   41.459  250.000   41.444   43.223   4.1115   44.921   3.9471 -1.697639 5.699433 
1 1 1   24   15    4 o   61.470   3.6306  463.782   52.465  480.200   74.236  447.400   74.156   61.379   5.1700   59.060   5.3762 2.319183 7.458724 
1 1 1   24   15    5 o   50.089   3.0168  304.786   35.515  332.500   50.284  277.200   50.169   51.688   4.1550   46.905   4.5883 4.783222 6.189998 
1 1 1   24   15    6 o   10.158   1.7375   12.625   4.0180   9.1000   5.7448   16.000   5.6217   8.6513   2.6011   11.382   2.1709 -2.730539 3.388021 
1 1 1   24   15    7 o   21.559   1.9064   55.879   9.6052   60.100   13.460   51.500   13.711   22.196   2.6186   20.440   2.9240 1.755503 3.925124 
1 1 1   24   15    8 o   13.852   1.6907   23.178   5.4155   32.800   7.6474   13.500   7.6700   16.451   2.0105   10.422   2.9716 6.028499 3.587796 
1 1 1   24   15    9 o   44.430   2.6661  238.898   27.842  279.200   39.450  198.900   39.300   47.616   3.5337   39.778   4.2497 7.838459 5.526970 
1 1 1   24   15   10 o   45.392   2.8223  250.183   30.101  270.200   42.588  230.200   42.552   46.604   3.9059   42.783   4.2689 3.821262 5.786176 
1 1 1   24   15   11 o   26.356   2.0140   83.548   12.440   82.500   17.575   84.600   17.610   25.932   2.9211   26.275   2.8858 -0.3433437 4.106152 
1 1 1   24   15   12 o   49.018   2.9300  292.528   33.759  325.600   47.831  259.700   47.654   51.076   3.9976   45.246   4.5208 5.830833 6.034815 
1 1 1   24   15   13 o   62.955   3.7235  490.750   55.108  531.300   77.983  450.300   77.886   64.140   5.1934   58.507   5.7103 5.632381 7.718748 
1 1 1   24   15   14 o   8.1662   1.6954   8.2392   3.1623   9.5000   4.4917   7.0000   4.4530   8.7318   2.1840   7.5990   2.2913 1.132824 3.165425 
1 1 1   24   15   15 o   44.808   2.6284  243.475   27.689  297.300   39.278  190.300   39.040   49.101   3.4088   38.710   4.3460 10.39025 5.523332 
1 1 1   24   15   16 o   32.624   2.1833  128.304   16.722  150.900   23.726  106.000   23.573   35.133   2.8854   29.165   3.4923 5.967623 4.530095 
1 1 1   24   15   17 o   52.725   3.2319  341.721   40.044  359.800   56.598  323.600   56.664   53.095   4.5584   50.092   4.8512 3.002674 6.656836 
1 1 1   24   15   18 o   59.248   3.3151  432.580   46.194  524.400   65.460  341.500   65.196   64.316   4.3355   50.773   5.5271 13.54255 7.024638 
1 1 1   24   15   19 o   25.252   1.9044   76.755   11.272   88.700   16.040   65.100   15.844   26.962   2.5496   22.913   3.0005 4.049129 3.937392 
1 1 1   24   15   20 o   37.303   2.4362  168.997   21.342  186.100   30.229  152.000   30.135   38.691   3.3414   34.725   3.7337 3.966156 5.010570 
1 1 1   24   15   21 o   41.727   2.7097  213.176   26.555  225.800   37.515  200.500   37.592   42.239   3.8020   39.588   4.0798 2.651188 5.576712 
1 1 1   24   15   22 o   35.524   2.3372  153.490   19.496  189.400   27.614  117.800   27.529   39.112   3.0132   30.287   3.9428 8.825102 4.962318 
1 1 1   24   15   23 o   31.667   2.3088  122.270   17.145  116.300   24.392  128.100   24.105   30.288   3.4733   31.940   3.2409 -1.651621 4.750469 
1 1 1   24   15   24 o   41.374   4.0343  221.700   38.913   0.0000   0.0000  221.700   38.913  ?   ?    41.374   4.0343 0.000000 4.034344 
1 1 1   24   15   25 o   4.4525   1.8521   0.6000   3.2179   0.0000   0.0000   0.6000   3.2179  ?   ?    4.4525   1.8521 0.000000 1.852149 
1 1 1   24   15   26 o   19.689   2.7079   48.700   12.257   0.0000   0.0000   48.700   12.257  ?   ?    19.689   2.7079 0.000000 2.707903 
1 1 1   24   15   27 o   10.046   2.5033   12.900   5.9167   0.0000   0.0000   12.900   5.9167  ?   ?    10.046   2.5033 0.000000 2.503288 
1 1 1   24   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   15   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16    0 o   28.404   3.0880   99.800   20.092   99.800   20.092   99.800   20.092   28.404   3.0880   28.404   3.0880 0.000000 0.000000 
1 1 1   24   16    1 o   31.563   2.1969  119.781   16.272  105.300   22.997  134.300   23.027   29.213   3.3971   33.192   2.9693 -3.978695 4.511926 
1 1 1   24   16    2 o   22.595   1.8850   61.299   9.9658   63.100   14.098   59.500   14.090   22.740   2.6766   22.049   2.7672 0.6916389 3.849893 
1 1 1   24   16    3 o   36.181   2.3434  157.621   19.914  131.500   28.120  183.900   28.205   32.543   3.7264   38.818   3.1029 -6.275108 4.849168 
1 1 1   24   16    4 o   51.493   2.9440  321.956   35.648  371.800   50.565  272.700   50.265   54.767   3.9361   46.428   4.6472 8.338879 6.090136 
1 1 1   24   16    5 f   39.393   2.4811  187.247   22.962  221.200   32.522  153.500   32.423   42.505   3.2652   35.048   3.9887 7.457169 5.154743 
1 1 1   24   16    6 o   33.952   2.3175  138.887   18.469  140.400   26.237  137.400   26.002   33.782   3.3325   33.413   3.3403 0.3691330 4.718353 
1 1 1   24   16    7 o   36.245   2.4124  158.500   20.529  158.200   29.038  158.800   29.027   35.804   3.4785   35.876   3.4697 -0.7242966E-01 4.913177 
1 1 1   24   16    8 o   48.602   2.9841  287.541   34.082  293.200   48.239  281.900   48.160   48.335   4.2704   47.331   4.3580 1.003891 6.101521 
1 1 1   24   16    9 o   54.380   3.2787  362.190   41.906  392.100   59.273  332.300   59.254   55.686   4.5474   50.895   4.9947 4.790909 6.754691 
1 1 1   24   16   10 o   12.159   1.6851   17.938   4.7080   18.800   6.7041   17.100   6.6130   12.306   2.3933   11.710   2.4694 0.5960112 3.438854 
1 1 1   24   16   11 f   11.356   1.6520   15.674   4.3003   12.000   6.0600   19.400   6.1032   9.8002   2.5824   12.559   2.1343 -2.759056 3.350247 
1 1 1   24   16   12 f   32.918   2.2723  130.695   17.554  148.700   24.829  112.700   24.822   34.838   3.0488   30.090   3.5626 4.748238 4.689080 
1 1 1   24   16   13 o   8.1000   1.7546   8.1235   3.2589   7.1000   4.6640   9.1000   4.5555   7.6733   2.3516   8.5518   2.2321 -0.8784361 3.242247 
1 1 1   24   16   14 o   40.383   2.6005  197.793   24.667  209.400   34.895  186.200   34.873   41.048   3.6378   38.557   3.8830 2.490131 5.320795 
1 1 1   24   16   15 o   27.153   2.0538   88.808   13.071   91.800   18.461   85.800   18.510   27.346   2.9034   26.385   3.0256 0.9610062 4.193297 
1 1 1   24   16   16 o   29.408   2.1273  104.281   14.673  122.500   20.761   86.100   20.740   31.652   2.8069   26.264   3.4257 5.388191 4.428789 
1 1 1   24   16   17 o   33.555   2.2737  136.057   17.909  153.800   25.358  118.400   25.296   35.364   3.0670   30.787   3.5443 4.576889 4.687054 
1 1 1   24   16   18 o   33.882   2.3305  138.959   18.532  151.400   26.199  126.500   26.218   35.000   3.2056   31.807   3.5514 3.192688 4.784153 
1 1 1   24   16   19 o   7.3244   1.7162   6.6641   2.9163   5.3000   4.1459   8.0000   4.1029   6.7744   2.2337   8.0164   2.1309 -1.241993 3.087091 
1 1 1   24   16   20 o   28.201   2.0185   96.051   13.353  119.100   18.924   73.200   18.843   31.202   2.5919   24.088   3.4079 7.114220 4.281532 
1 1 1   24   16   21 o   7.1363   1.5658   6.3149   2.5661   14.400   3.7369  -0.9000   3.5301   10.889   1.4926   4.1914   1.8435 6.697431 2.372026 
1 1 1   24   16   22 o   25.385   1.8375   77.768   10.940  100.200   15.644   56.300   15.304   28.652   2.3325   21.109   3.1681 7.543058 3.934154 
1 1 1   24   16   23 o   17.675   2.7001   39.100   10.912   0.0000   0.0000   39.100   10.912  ?   ?    17.675   2.7001 0.000000 2.700091 
1 1 1   24   16   24 o   31.220   3.3278  123.500   24.155   0.0000   0.0000  123.500   24.155  ?   ?    31.220   3.3278 0.000000 3.327760 
1 1 1   24   16   25 o   44.414   4.3370  262.200   44.906   0.0000   0.0000  262.200   44.906  ?   ?    44.414   4.3370 0.000000 4.337049 
1 1 1   24   16   26 o   25.395   3.0146   81.700   17.724   0.0000   0.0000   81.700   17.724  ?   ?    25.395   3.0146 0.000000 3.014599 
1 1 1   24   16   27 o   16.150   2.6970   33.100   9.9223   0.0000   0.0000   33.100   9.9223  ?   ?    16.150   2.6970 0.000000 2.696983 
1 1 1   24   16   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   16   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17    0 o   16.526   2.7451   35.100   9.8235   35.100   9.8235   35.100   9.8235   16.526   2.7451   16.526   2.7451 0.000000 0.000000 
1 1 1   24   17    1 o   9.3241   1.6981   10.668   3.6011   8.0000   5.1102   13.300   5.0754   8.1256   2.4556   10.357   2.1458 -2.231693 3.261009 
1 1 1   24   17    2 o   24.427   1.9142   71.637   10.953   80.900   15.543   62.500   15.437   25.799   2.5861   22.534   2.9737 3.265280 3.940913 
1 1 1   24   17    3 o   14.681   1.7287   26.021   5.8783   26.900   8.2177   25.100   8.4121   14.778   2.4400   14.227   2.5998 0.5514078 3.565496 
1 1 1   24   17    4 o   15.262   1.7391   28.100   6.1556   21.000   8.7365   35.100   8.6744   12.924   2.9303   16.979   2.2164 -4.055639 3.674107 
1 1 1   24   17    5 o   45.230   2.7813  248.113   29.562  273.400   41.838  222.900   41.775   46.959   3.8057   42.120   4.2588 4.839420 5.711440 
1 1 1   24   17    6 o   34.513   2.3429  143.651   18.981  140.100   26.846  147.200   26.840   33.686   3.4226   34.577   3.3284 -0.8908539 4.774119 
1 1 1   24   17    7 o   4.3335   1.5297   1.9471   1.9503  -1.2000   2.6610   5.6000   2.8669   3.4922   1.5643   6.7335   1.7771 -3.241324 2.367508 
1 1 1   24   17    8 o   10.513   1.6556   13.474   3.9742   16.400   5.6969   10.700   5.5467   11.518   2.1743   9.2700   2.4838 2.247978 3.301000 
1 1 1   24   17    9 o   78.436   4.6371  778.604   85.506  771.600  120.954  785.600  120.893   75.138   6.8939   75.936   6.8145 -0.7978821 9.693527 
1 1 1   24   17   10 o   47.071   2.8153  269.207   31.149  308.300   44.132  230.400   43.970   49.834   3.7784   42.651   4.4305 7.183170 5.822828 
1 1 1   24   17   11 o   14.303   1.6697   24.697   5.5333   31.200   7.8575   18.300   7.7936   16.002   2.1325   12.064   2.7912 3.938289 3.512624 
1 1 1   24   17   12 o   15.941   1.7112   30.637   6.3409   31.900   9.0128   29.400   8.9227   16.104   2.4470   15.424   2.5381 0.6800938 3.525590 
1 1 1   24   17   13 o   12.261   1.6934   18.253   4.7720   18.000   6.7867   18.500   6.7111   12.011   2.4752   12.192   2.4164 -0.1812353 3.459148 
1 1 1   24   17   14 o   25.906   1.9860   80.773   12.056   90.900   17.073   70.700   17.028   27.286   2.6845   23.899   3.0895 3.386387 4.092887 
1 1 1   24   17   15 o   3.2179   1.3034   0.5045   1.5398  -3.4000   2.2404   4.0000   2.1198   2.5846   1.2441   5.7013   1.5388 -3.116723 1.978794 
1 1 1   24   17   16 o   34.315   2.1442  141.889   17.287  174.700   24.565  109.700   24.331   37.846   2.7680   29.624   3.5489 8.221617 4.500700 
1 1 1   24   17   17 o   42.598   2.5778  220.413   25.808  262.100   36.580  179.100   36.416   46.009   3.3909   37.532   4.1799 8.476513 5.382369 
1 1 1   24   17   18 o   27.848   2.0537   93.610   13.410  108.600   18.990   78.700   18.939   29.766   2.7322   25.094   3.2742 4.672462 4.264414 
1 1 1   24   17   19 o   18.092   1.7446   39.508   7.3609   44.300   10.456   34.800   10.364   18.998   2.3832   16.705   2.7212 2.293251 3.617239 
1 1 1   24   17   20 o   26.697   1.9829   86.123   12.411  105.100   17.588   67.300   17.516   29.290   2.5689   23.101   3.3053 6.188614 4.186180 
1 1 1   24   17   21 o   39.633   2.4623  191.728   22.931  227.200   32.555  156.800   32.304   42.648   3.2572   34.911   3.9903 7.737461 5.150926 
1 1 1   24   17   22 o   40.905   2.6248  205.515   25.219  247.600   35.787  164.000   35.544   44.309   3.4476   35.353   4.3495 8.955784 5.550090 
1 1 1   24   17   23 o   17.958   2.6399   40.300   10.860   0.0000   0.0000   40.300   10.860  ?   ?    17.958   2.6399 0.000000 2.639865 
1 1 1   24   17   24 o   27.375   3.1007   94.700   19.690   0.0000   0.0000   94.700   19.690  ?   ?    27.375   3.1007 0.000000 3.100724 
1 1 1   24   17   25 o   5.8126   2.2097   3.0000   4.1911   0.0000   0.0000   3.0000   4.1911  ?   ?    5.8126   2.2097 0.000000 2.209747 
1 1 1   24   17   26 o   39.399   3.9789  204.700   36.510   0.0000   0.0000  204.700   36.510  ?   ?    39.399   3.9789 0.000000 3.978878 
1 1 1   24   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   17   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18    0 f   3.6713   2.0309   2.2000   2.5762   2.2000   2.5762   2.2000   2.5762   3.6713   2.0309   3.6713   2.0309 0.000000 0.000000 
1 1 1   24   18    1 o   59.533   3.5541  436.201   49.736  432.300   70.344  440.100   70.330   57.958   5.1950   58.532   5.1406 -0.5731544 7.308444 
1 1 1   24   18    2 o   16.001   1.7144   30.844   6.3769   33.400   9.0295   28.300   9.0071   16.513   2.3848   15.118   2.6178 1.394499 3.541219 
1 1 1   24   18    3 o   86.870   5.1376  966.795  104.921  1064.60  148.384  869.000  148.376   87.942   7.2088   77.858   8.1934 10.08324 10.91323 
1 1 1   24   18    4 o   20.204   1.7341   48.995   8.1929   61.200   11.637   37.000   11.537   22.491   2.2201   17.250   2.9374 5.240282 3.682061 
1 1 1   24   18    5 o   31.612   2.2059  120.341   16.363  117.500   23.105  123.200   23.177   30.899   3.2136   31.675   3.1400 -0.7759705 4.492992 
1 1 1   24   18    6 o   20.908   1.8445   52.563   9.0133   57.200   12.730   47.900   12.764   21.652   2.5379   19.711   2.8230 1.941650 3.796028 
1 1 1   24   18    7 o   40.514   2.6045  198.749   24.785  208.700   35.054  188.800   35.049   41.035   3.6558   38.907   3.8661 2.128048 5.320864 
1 1 1   24   18    8 o   53.800   3.2409  354.477   40.981  385.200   57.978  323.800   57.935   55.205   4.4864   50.235   4.9482 4.970264 6.679265 
1 1 1   24   18    9 o   22.796   1.8760   62.463   10.009   74.900   14.176   50.100   14.134   24.832   2.4495   20.082   3.0787 4.750092 3.934276 
1 1 1   24   18   10 o   26.334   1.9971   83.415   12.326   91.500   17.470   75.400   17.394   27.373   2.7395   24.725   3.0435 2.647989 4.094848 
1 1 1   24   18   11 o   16.782   1.7341   33.938   6.7728   37.300   9.5951   30.600   9.5612   17.453   2.3910   15.706   2.6738 1.746918 3.586927 
1 1 1   24   18   12 o   41.867   2.6406  212.659   25.972  222.200   36.810  203.200   36.651   42.250   3.7278   40.293   3.9009 1.956898 5.395705 
1 1 1   24   18   13 f   47.702   2.8876  277.397   32.373  311.200   45.852  243.800   45.712   49.886   3.9241   43.747   4.4887 6.138733 5.962101 
1 1 1   24   18   14 o   22.136   1.8772   58.991   9.7196   61.300   13.773   56.700   13.719   22.357   2.6611   21.456   2.7725 0.9006138 3.842949 
1 1 1   24   18   15 o   20.869   1.8412   52.446   8.9806   57.400   12.705   47.500   12.696   21.660   2.5318   19.591   2.8261 2.069483 3.794299 
1 1 1   24   18   16 o   3.0026   1.2665   0.0937   1.5367  -1.5000   2.4006   1.2000   2.0001   3.1898   1.4517   3.9364   1.5191 -0.7465715 2.101214 
1 1 1   24   18   17 o   45.722   2.7437  255.222   29.486  289.400   41.809  221.400   41.592   48.057   3.7131   41.595   4.2964 6.461540 5.678558 
1 1 1   24   18   18 o   34.296   2.3018  142.684   18.533  163.600   26.252  121.900   26.168   36.359   3.0868   31.072   3.6352 5.287209 4.768959 
1 1 1   24   18   19 o   10.292   1.6851   12.986   3.9534   13.600   5.6585   12.400   5.5258   10.402   2.3580   9.9262   2.3868 0.4760809 3.355176 
1 1 1   24   18   20 o   21.700   1.7370   56.769   8.8258   74.800   12.600   39.400   12.366   24.794   2.1740   17.636   3.0816 7.157759 3.771317 
1 1 1   24   18   21 o   16.961   1.6350   34.746   6.4671   44.800   9.5409   26.200   8.7962   19.138   2.1483   14.419   2.6822 4.719395 3.436503 
1 1 1   24   18   22 o   22.329   2.7821   62.200   14.351   0.0000   0.0000   62.200   14.351  ?   ?    22.329   2.7821 0.000000 2.782146 
1 1 1   24   18   23 f   13.169   2.5179   21.900   7.5448   0.0000   0.0000   21.900   7.5448  ?   ?    13.169   2.5179 0.000000 2.517947 
1 1 1   24   18   24 o   6.3635   2.2723   4.3000   4.3154   0.0000   0.0000   4.3000   4.3154  ?   ?    6.3635   2.2723 0.000000 2.272268 
1 1 1   24   18   25 o   35.536   3.6725  164.000   30.373   0.0000   0.0000  164.000   30.373  ?   ?    35.536   3.6725 0.000000 3.672490 
1 1 1   24   18   26 o   24.851   2.9960   78.400   17.227   0.0000   0.0000   78.400   17.227  ?   ?    24.851   2.9960 0.000000 2.996007 
1 1 1   24   18   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   18   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19    0 o   21.325   2.7966   57.000   13.412   57.000   13.412   57.000   13.412   21.325   2.7966   21.325   2.7966 0.000000 0.000000 
1 1 1   24   19    1 o   31.952   2.1745  122.869   16.309  145.400   23.106  100.500   23.023   34.542   2.8585   28.443   3.5018 6.098927 4.520385 
1 1 1   24   19    2 o   70.391   4.0881  617.574   67.659  575.800   95.597  659.500   95.771   65.733   6.2334   70.946   5.7665 -5.213737 8.491674 
1 1 1   24   19    3 o   17.521   1.7657   36.962   7.2059   39.600   10.168   34.300   10.213   17.986   2.4585   16.659   2.6879 1.327345 3.642615 
1 1 1   24   19    4 o   48.712   2.9647  288.961   33.940  303.500   48.063  274.500   47.934   49.206   4.1759   46.630   4.4055 2.576000 6.070138 
1 1 1   24   19    5 o   17.281   1.7343   35.944   6.9816   38.800   9.8834   33.100   9.8637   17.810   2.4121   16.368   2.6420 1.441811 3.577469 
1 1 1   24   19    6 o   20.843   1.8227   52.225   8.8808   55.200   12.614   49.300   12.506   21.254   2.5651   20.029   2.7140 1.225487 3.734415 
1 1 1   24   19    7 o   26.338   2.0130   83.448   12.425   78.900   17.568   88.000   17.575   25.323   2.9961   26.820   2.8171 -1.497906 4.112518 
1 1 1   24   19    8 o   14.064   1.6956   23.908   5.5177   24.700   7.7655   23.100   7.8416   14.142   2.4120   13.638   2.5280 0.5033188 3.494035 
1 1 1   24   19    9 o   19.231   1.7997   44.512   8.0776   49.500   11.409   39.500   11.438   20.134   2.4503   17.858   2.8048 2.276049 3.724316 
1 1 1   24   19   10 o   43.367   2.6412  228.062   26.919  279.000   38.140  177.500   37.998   47.573   3.4179   37.371   4.3895 10.20169 5.563230 
1 1 1   24   19   11 o   35.821   2.4002  155.148   20.185  157.300   28.558  153.000   28.534   35.640   3.4359   35.121   3.4867 0.5188942 4.895151 
1 1 1   24   19   12 o   15.079   1.6553   27.421   5.7970   33.900   8.3172   21.300   8.0843   16.675   2.1632   13.034   2.7148 3.641278 3.471286 
1 1 1   24   19   13 o   53.045   3.1909  345.449   39.782  374.900   56.309  316.100   56.213   54.328   4.4278   49.498   4.8724 4.829391 6.583790 
1 1 1   24   19   14 o   54.791   3.1438  368.388   40.504  430.000   57.428  307.400   57.136   58.368   4.1946   48.607   5.0517 9.760536 6.566192 
1 1 1   24   19   15 o   45.016   2.7438  247.075   29.027  275.200   41.142  219.200   40.960   46.892   3.7468   41.494   4.2399 5.398857 5.658247 
1 1 1   24   19   16 o   12.643   1.6393   19.390   4.7791   26.500   6.8377   12.600   6.6822   14.729   2.0192   10.015   2.7443 4.713958 3.407082 
1 1 1   24   19   17 o   61.828   3.4038  475.483   49.503  570.900   70.181  381.000   69.837   66.539   4.4929   53.019   5.6659 13.52065 7.231107 
1 1 1   24   19   18 o   9.5232   1.7107   11.170   3.7055   9.7000   5.2762   12.600   5.2054   8.8102   2.4482   10.024   2.2539 -1.213419 3.327739 
1 1 1   24   19   19 o   60.816   3.2003  459.782   45.797  566.800   65.127  355.100   64.413   66.395   4.1752   51.103   5.4206 15.29264 6.842209 
1 1 1   24   19   20 f   41.450   2.3389  209.226   22.799  263.100   32.690  158.200   31.814   46.038   3.0238   35.074   3.9077 10.96441 4.941010 
1 1 1   24   19   21 f   41.419   3.9988  221.800   38.624   0.0000   0.0000  221.800   38.624  ?   ?    41.419   3.9988 0.000000 3.998822 
1 1 1   24   19   22 o   4.1725   1.7033   0.8000   2.6543   0.0000   0.0000   0.8000   2.6543  ?   ?    4.1725   1.7033 0.000000 1.703294 
1 1 1   24   19   23 o   2.9618   1.3297  -0.9000   1.9340   0.0000   0.0000  -0.9000   1.9340  ?   ?    2.9618   1.3297 0.000000 1.329660 
1 1 1   24   19   24 o   19.231   2.7765   46.700   12.244   0.0000   0.0000   46.700   12.244  ?   ?    19.231   2.7765 0.000000 2.776520 
1 1 1   24   19   25 o   5.4237   2.0977   2.4000   3.8206   0.0000   0.0000   2.4000   3.8206  ?   ?    5.4237   2.0977 0.000000 2.097660 
1 1 1   24   19   26 o   10.181   2.5994   13.300   6.2710   0.0000   0.0000   13.300   6.2710  ?   ?    10.181   2.5994 0.000000 2.599443 
1 1 1   24   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   19   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20    0 o   20.189   2.7671   51.300   12.488   51.300   12.488   51.300   12.488   20.189   2.7671   20.189   2.7671 0.000000 0.000000 
1 1 1   24   20    1 o   13.627   1.6805   22.449   5.2930   22.500   7.5553   22.400   7.4175   13.474   2.4655   13.452   2.4242 0.2130127E-01 3.457701 
1 1 1   24   20    2 o   20.504   1.8326   50.561   8.7796   53.200   12.390   47.900   12.443   20.859   2.5697   19.729   2.7453 1.130417 3.760328 
1 1 1   24   20    3 o   15.988   1.5482   30.694   5.7719   44.100   8.2598   17.900   8.0688   19.134   1.8512   11.921   2.8953 7.213446 3.436503 
1 1 1   24   20    4 o   15.414   1.6839   28.638   6.0293   34.900   8.5698   22.500   8.4843   16.925   2.1960   13.404   2.7721 3.521666 3.536492 
1 1 1   24   20    5 o   40.679   2.6121  200.549   24.959  202.500   35.310  198.600   35.285   40.337   3.7500   39.923   3.7883 0.4140472 5.330416 
1 1 1   24   20    6 o   11.906   1.6304   17.191   4.4636   21.000   6.5561   13.900   6.0941   13.061   2.2042   10.536   2.4890 2.524220 3.324712 
1 1 1   24   20    7 o   38.673   2.5250  181.050   22.931  181.100   32.430  181.000   32.430   38.179   3.6413   38.167   3.6424 0.1119995E-01 5.150403 
1 1 1   24   20    8 o   26.380   1.9932   83.712   12.324   90.700   17.477   76.800   17.382   27.243   2.7546   24.964   3.0094 2.279047 4.079733 
1 1 1   24   20    9 o   30.058   2.1589  108.902   15.221  112.000   21.519  105.800   21.532   30.179   3.0621   29.285   3.1640 0.8943462 4.403110 
1 1 1   24   20   10 o   46.135   2.8993  259.624   31.425  285.300   44.422  233.900   44.462   47.713   3.9790   42.859   4.4585 4.854042 5.975883 
1 1 1   24   20   11 f   41.316   2.6516  207.348   25.733  208.500   36.417  206.200   36.366   40.828   3.8218   40.590   3.8397 0.2377090 5.417490 
1 1 1   24   20   12 o   20.136   1.7359   48.736   8.1732   58.200   11.662   39.600   11.458   21.883   2.2908   17.864   2.8089 4.019236 3.624578 
1 1 1   24   20   13 o   21.790   1.8690   57.200   9.5241   53.800   13.469   60.600   13.469   20.870   2.8041   22.229   2.6160 -1.359638 3.834894 
1 1 1   24   20   14 o   15.321   1.7039   28.365   6.0598   31.800   8.6144   25.000   8.5260   16.082   2.3368   14.143   2.6503 1.939225 3.533392 
1 1 1   24   20   15 o   20.542   1.8297   50.902   8.7826   50.500   12.450   51.300   12.391   20.222   2.6729   20.396   2.6342 -0.1746101 3.752810 
1 1 1   24   20   16 o   40.300   2.6150  198.293   24.751  202.800   35.029  193.800   34.976   40.080   3.7446   39.112   3.8364 0.9674759 5.360962 
1 1 1   24   20   17 o   25.109   1.9677   76.214   11.574   82.100   16.418   70.400   16.318   25.796   2.7371   23.775   2.9714 2.020409 4.039956 
1 1 1   24   20   18 o   17.241   1.7903   36.015   7.1823   35.700   10.422   36.300   9.9118   16.898   2.7030   17.098   2.5314 -0.2003441 3.703275 
1 1 1   24   20   19 f   15.620   1.7580   29.618   6.3715   32.400   9.0644   26.900   8.9579   16.149   2.4542   14.613   2.6953 1.536486 3.645247 
1 1 1   24   20   20 o   21.322   2.7090   56.600   13.331   0.0000   0.0000   56.600   13.331  ?   ?    21.322   2.7090 0.000000 2.708972 
1 1 1   24   20   21 o   18.610   2.6325   43.300   11.245   0.0000   0.0000   43.300   11.245  ?   ?    18.610   2.6325 0.000000 2.632501 
1 1 1   24   20   22 o   13.479   2.4792   22.900   7.6002   0.0000   0.0000   22.900   7.6002  ?   ?    13.479   2.4792 0.000000 2.479181 
1 1 1   24   20   23 o   12.706   2.5396   20.500   7.3531   0.0000   0.0000   20.500   7.3531  ?   ?    12.706   2.5396 0.000000 2.539625 
1 1 1   24   20   24 f   8.4820   2.5468   9.0000   5.5101   0.0000   0.0000   9.0000   5.5101  ?   ?    8.4820   2.5468 0.000000 2.546811 
1 1 1   24   20   25 o   25.051   3.0164   79.700   17.484   0.0000   0.0000   79.700   17.484  ?   ?    25.051   3.0164 0.000000 3.016424 
1 1 1   24   20   26 o   45.350   4.5640  282.000   48.211   0.0000   0.0000  282.000   48.211  ?   ?    45.350   4.5640 0.000000 4.564032 
1 1 1   24   20   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   20   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21    0 o   28.856   3.1196  103.200   20.628  103.200   20.628  103.200   20.628   28.856   3.1196   28.856   3.1196 0.000000 0.000000 
1 1 1   24   21    1 o   30.659   2.2309  113.368   16.041   98.600   22.737  128.000   22.633   28.148   3.4961   32.324   2.9994 -4.175903 4.606439 
1 1 1   24   21    2 o   64.740   3.8497  520.600   58.587  520.900   82.859  520.300   82.850   63.038   5.6256   62.998   5.6286 0.3973007E-01 7.957891 
1 1 1   24   21    3 o   6.8650   1.7204   5.8374   2.7832   5.3000   4.0922   6.3000   3.7966   6.7741   2.2185   7.1866   2.1032 -0.4125285 3.057000 
1 1 1   24   21    4 o   42.078   2.6651  214.778   26.345  224.400   37.300  205.200   37.214   42.467   3.7584   40.495   3.9418 1.972603 5.446372 
1 1 1   24   21    5 o   12.814   1.6673   19.886   4.9253   16.200   6.9522   23.600   6.9788   11.362   2.6414   13.863   2.2058 -2.501062 3.441319 
1 1 1   24   21    6 o   16.542   1.7242   32.978   6.6361   36.200   9.5756   30.000   9.2051   17.180   2.4280   15.569   2.5953 1.611326 3.553996 
1 1 1   24   21    7 o   16.876   1.7161   34.306   6.7433   38.200   9.5921   30.500   9.4818   17.672   2.3574   15.682   2.6553 1.990064 3.550772 
1 1 1   24   21    8 o   37.627   2.5074  171.533   22.151  184.600   31.288  158.400   31.366   38.603   3.4695   35.575   3.7922 3.027195 5.139851 
1 1 1   24   21    9 o   69.981   4.1441  614.885   68.176  542.600   96.405  687.200   96.426   62.973   6.5802   72.117   5.7090 -9.143341 8.711591 
1 1 1   24   21   10 o   34.198   2.3046  141.307   18.502  151.700   26.220  131.000   26.113   35.077   3.2008   32.461   3.4600 2.616196 4.713469 
1 1 1   24   21   11 o   52.558   3.1833  339.557   39.321  378.100   55.640  301.100   55.578   54.555   4.3554   48.155   4.9585 6.399685 6.599719 
1 1 1   24   21   12 o   35.607   2.3859  153.638   19.945  159.400   28.236  147.900   28.178   35.821   3.3780   34.424   3.5158 1.396950 4.875632 
1 1 1   24   21   13 o   53.689   3.2094  355.707   40.502  413.200   57.325  298.400   57.231   56.929   4.2959   47.550   5.1810 9.379414 6.730317 
1 1 1   24   21   14 o   55.792   3.2553  385.356   42.700  423.400   60.543  347.700   60.233   57.300   4.5110   51.382   5.0288 5.918297 6.755601 
1 1 1   24   21   15 o   33.500   2.2633  136.094   17.799  151.000   25.218  121.300   25.124   34.907   3.0914   31.061   3.4856 3.846519 4.658934 
1 1 1   24   21   16 o   7.2817   1.7360   6.6000   2.9429   1.4000   4.1620   11.800   4.1620   5.2612   2.1386   9.7595   1.8741 -4.498269 2.843566 
1 1 1   24   21   17 o   22.704   1.8769   62.329   9.9725   69.800   14.220   55.100   13.989   23.801   2.5711   20.996   2.8989 2.805298 3.874808 
1 1 1   24   21   18 o   15.998   1.8447   31.135   6.8412   21.500   9.7980   40.300   9.5564   12.907   3.2241   18.100   2.2869 -5.192731 3.952872 
1 1 1   24   21   19 f   14.212   2.4860   25.300   8.0392   0.0000   0.0000   25.300   8.0392  ?   ?    14.212   2.4860 0.000000 2.486010 
1 1 1   24   21   20 o   10.582   2.4309   14.200   5.9467   0.0000   0.0000   14.200   5.9467  ?   ?    10.582   2.4309 0.000000 2.430920 
1 1 1   24   21   21 o   12.983   2.5006   21.300   7.3883   0.0000   0.0000   21.300   7.3883  ?   ?    12.983   2.5006 0.000000 2.500569 
1 1 1   24   21   22 o   18.251   2.6172   41.800   10.956   0.0000   0.0000   41.800   10.956  ?   ?    18.251   2.6172 0.000000 2.617162 
1 1 1   24   21   23 o   17.755   2.7037   39.800   10.977   0.0000   0.0000   39.800   10.977  ?   ?    17.755   2.7037 0.000000 2.703652 
1 1 1   24   21   24 o  ?   ?   -4.9000   0.8615   0.0000   0.0000  -4.9000   0.8615  ?   ?   ?   ?  0.000000      ? 
1 1 1   24   21   25 o   20.167   2.7751   51.500   12.866   0.0000   0.0000   51.500   12.866  ?   ?    20.167   2.7751 0.000000 2.775110 
1 1 1   24   21   26 o   19.577   2.7647   48.700   12.425   0.0000   0.0000   48.700   12.425  ?   ?    19.577   2.7647 0.000000 2.764658 
1 1 1   24   21   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   21   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22    0 o   26.960   3.0356   90.300   18.695   90.300   18.695   90.300   18.695   26.960   3.0356   26.960   3.0356 0.000000 0.000000 
1 1 1   24   22    1 o   23.403   1.9089   65.890   10.457   63.200   14.761   68.600   14.816   22.671   2.8181   23.670   2.6991 -0.9988327 3.902172 
1 1 1   24   22    2 f   38.054   2.5015  175.350   22.353  184.900   31.612  165.800   31.612   38.630   3.5037   36.454   3.7247 2.175861 5.113657 
1 1 1   24   22    3 o   26.057   2.0556   81.810   12.545   69.400   17.785   94.100   17.699   23.612   3.2783   27.752   2.7364 -4.139374 4.270215 
1 1 1   24   22    4 o   47.438   2.9254  274.477   32.610  295.600   46.143  253.400   46.092   48.532   4.0638   44.667   4.4283 3.865131 6.010407 
1 1 1   24   22    5 o   3.2314   1.3016   0.5489   1.5265   1.2000   2.3895   0.1000   1.9841   4.1904   1.6479   3.4010   1.4371 0.7894011 2.186495 
1 1 1   24   22    6 o   27.743   2.0103   92.612   13.081  103.900   18.658   81.700   18.344   29.167   2.7411   25.718   3.0819 3.448582 4.124540 
1 1 1   24   22    7 o   47.088   2.9793  270.971   32.956  257.800   46.735  284.000   46.480   45.000   4.4567   47.442   4.1922 -2.441528 6.118546 
1 1 1   24   22    8 o   35.092   2.3423  148.909   19.298  171.700   27.315  126.200   27.266   37.360   3.1249   31.727   3.7094 5.633148 4.850267 
1 1 1   24   22    9 o   28.165   2.0192   95.556   13.340  109.300   18.931   82.000   18.801   29.904   2.7103   25.705   3.1643 4.199814 4.166389 
1 1 1   24   22   10 o   68.394   4.0511  589.144   65.135  624.000   92.189  554.400   92.042   68.259   5.7736   63.771   6.1902 4.488506 8.464831 
1 1 1   24   22   11 o   14.160   1.6914   24.276   5.5436   25.900   7.9003   22.700   7.7808   14.465   2.3968   13.486   2.5364 0.9790068 3.489724 
1 1 1   24   22   12 f   29.064   2.1168  102.129   14.428  110.800   20.429   93.500   20.379   29.970   2.9240   27.388   3.2121 2.582327 4.343661 
1 1 1   24   22   13 o   3.7736   1.4952   0.9133   1.9811  -3.4000   3.2357   3.5000   2.5057   3.3820   1.5890   5.4549   1.7316 -2.072950 2.350219 
1 1 1   24   22   14 o   29.971   2.1501  108.823   15.116  119.200   21.405   98.500   21.349   31.035   2.9565   28.036   3.2872 2.999308 4.421179 
1 1 1   24   22   15 o   15.448   1.7075   28.905   6.1246   33.200   8.6562   24.600   8.6668   16.414   2.2961   13.967   2.7257 2.447864 3.563947 
1 1 1   24   22   16 o   44.347   2.7886  242.102   29.053  253.500   41.266  230.900   40.911   44.473   3.9713   42.280   4.1513 2.193073 5.744981 
1 1 1   24   22   17 o   45.702   2.5431  255.652   27.336  316.400   38.903  196.400   38.420   50.268   3.2956   38.816   4.2619 11.45200 5.387445 
1 1 1   24   22   18 o   20.406   2.6763   51.900   12.585   0.0000   0.0000   51.900   12.585  ?   ?    20.406   2.6763 0.000000 2.676284 
1 1 1   24   22   19 o   29.666   3.2527  111.500   22.412   0.0000   0.0000  111.500   22.412  ?   ?    29.666   3.2527 0.000000 3.252724 
1 1 1   24   22   20 o   11.570   2.4980   17.000   6.6250   0.0000   0.0000   17.000   6.6250  ?   ?    11.570   2.4980 0.000000 2.497981 
1 1 1   24   22   21 o   14.749   2.5212   27.400   8.4655   0.0000   0.0000   27.400   8.4655  ?   ?    14.749   2.5212 0.000000 2.521213 
1 1 1   24   22   22 o   4.6006   1.8114   1.5000   2.8905   0.0000   0.0000   1.5000   2.8905  ?   ?    4.6006   1.8114 0.000000 1.811427 
1 1 1   24   22   23 o   10.183   2.6620   13.300   6.4729   0.0000   0.0000   13.300   6.4729  ?   ?    10.183   2.6620 0.000000 2.662039 
1 1 1   24   22   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   25 o   26.585   3.0701   90.400   18.918   0.0000   0.0000   90.400   18.918  ?   ?    26.585   3.0701 0.000000 3.070053 
1 1 1   24   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   22   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23    0 o   31.823   3.2833  125.500   24.071  125.500   24.071  125.500   24.071   31.823   3.2833   31.823   3.2833 0.000000 0.000000 
1 1 1   24   23    1 o   8.5083   1.7884   8.9613   3.4791   14.500   4.8520   3.1000   4.9913   10.847   1.9667   6.2188   2.3997 4.628416 3.102659 
1 1 1   24   23    2 o   21.627   1.8654   56.303   9.4333   52.500   13.345   60.100   13.336   20.627   2.8132   22.158   2.5981 -1.531773 3.829409 
1 1 1   24   23    3 o   38.856   2.5076  182.960   22.885  199.100   32.404  166.900   32.324   40.088   3.4569   36.498   3.8066 3.590076 5.141967 
1 1 1   24   23    4 o   7.9678   1.7235   7.8635   3.1484   9.4000   4.5917   6.5000   4.3254   8.6818   2.2285   7.3515   2.2666 1.330286 3.178594 
1 1 1   24   23    5 o   34.702   2.3485  145.689   19.131  148.600   27.109  142.800   27.003   34.623   3.3580   33.906   3.4195 0.7173538 4.792585 
1 1 1   24   23    6 o   45.523   2.5624  251.443   27.433  309.600   39.037  194.700   38.560   50.085   3.3195   39.126   4.2415 10.95901 5.386064 
1 1 1   24   23    7 o   21.472   1.8496   55.542   9.2867   57.700   13.158   53.400   13.109   21.676   2.6242   20.807   2.7341 0.8688736 3.789738 
1 1 1   24   23    8 o   30.248   2.0830  110.371   14.787   92.900   20.807  128.200   21.019   27.299   3.2943   32.353   2.7783 -5.053818 4.309433 
1 1 1   24   23    9 o   38.826   2.5287  183.370   23.058  189.100   32.695  177.700   32.523   38.857   3.6043   37.594   3.7121 1.262817 5.174079 
1 1 1   24   23   10 o   11.766   1.6528   16.844   4.4652   23.900   6.3633  10.0000   6.2673   13.980   1.9832   9.0128   2.7184 4.967205 3.364947 
1 1 1   24   23   11 o   41.482   2.6226  209.980   25.557  250.400   36.174  169.700   36.112   44.800   3.4459   36.295   4.2969 8.505489 5.507917 
1 1 1   24   23   12 o   35.592   2.3602  153.960   19.724  168.100   27.984  140.000   27.805   36.735   3.2599   33.316   3.5910 3.418354 4.849969 
1 1 1   24   23   13 o   41.612   2.6902  212.247   26.293  215.900   37.199  208.600   37.168   41.180   3.8709   40.418   3.9446 0.7623749 5.526674 
1 1 1   24   23   14 o   25.059   1.8835   75.838   11.064   94.100   15.739   58.000   15.555   27.736   2.4276   21.446   3.1668 6.289053 3.990267 
1 1 1   24   23   15 o   19.363   1.8585   45.433   8.3934   39.200   11.951   51.500   11.791   17.618   2.9789   20.428   2.4962 -2.809628 3.886508 
1 1 1   24   23   16 o   33.064   2.4184  133.737   18.751  121.600   26.786  145.400   26.258   30.776   3.7642   33.979   3.3148 -3.203236 5.015707 
1 1 1   24   23   17 o   11.626   2.4771   17.100   6.5924   0.0000   0.0000   17.100   6.5924  ?   ?    11.626   2.4771 0.000000 2.477104 
1 1 1   24   23   18 f   24.112   2.8440   72.800   15.881   0.0000   0.0000   72.800   15.881  ?   ?    24.112   2.8440 0.000000 2.843964 
1 1 1   24   23   19 o   24.035   2.8812   72.600   16.026   0.0000   0.0000   72.600   16.026  ?   ?    24.035   2.8812 0.000000 2.881221 
1 1 1   24   23   20 o  ?   ?   -3.4000   0.6605   0.0000   0.0000  -3.4000   0.6605  ?   ?   ?   ?  0.000000      ? 
1 1 1   24   23   21 o   13.799   2.5458   24.100   7.9898   0.0000   0.0000   24.100   7.9898  ?   ?    13.799   2.5458 0.000000 2.545831 
1 1 1   24   23   22 o   26.736   3.0883   90.800   19.139   0.0000   0.0000   90.800   19.139  ?   ?    26.736   3.0883 0.000000 3.088264 
1 1 1   24   23   23 o   7.4801   2.5486   6.5000   5.3925   0.0000   0.0000   6.5000   5.3925  ?   ?    7.4801   2.5486 0.000000 2.548639 
1 1 1   24   23   24 f   9.7868   2.5513   12.300   5.9564   0.0000   0.0000   12.300   5.9564  ?   ?    9.7868   2.5513 0.000000 2.551275 
1 1 1   24   23   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   23   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24    0 o   5.2818   2.5631   4.9000   3.7411   4.9000   3.7411   4.9000   3.7411   5.2818   2.5631   5.2818   2.5631 0.000000 0.000000 
1 1 1   24   24    1 o   25.906   2.0219   80.949   12.271   81.000   17.473   80.900   17.236   25.619   2.9418   25.618   2.9003 0.1007080E-02 4.131091 
1 1 1   24   24    2 f   17.237   1.7337   35.830   6.9608   39.000   9.8756   32.700   9.8128   17.826   2.4078   16.229   2.6521 1.596334 3.582063 
1 1 1   24   24    3 f   12.268   1.6938   18.296   4.7761   19.100   6.7697   17.500   6.7391   12.381   2.4023   11.820   2.4929 0.5603018 3.461990 
1 1 1   24   24    4 o   21.877   1.8686   57.691   9.5607   56.300   13.477   59.100   13.565   21.364   2.7341   21.915   2.6770 -0.5510178 3.826417 
1 1 1   24   24    5 o   25.188   1.9835   76.544   11.702   78.000   16.582   75.100   16.516   25.151   2.8418   24.656   2.8917 0.4953308 4.054378 
1 1 1   24   24    6 o  ?   ?   -3.6966   0.4855  -9.4000   0.8184  -0.6000   0.6030  ?   ?    1.4836   0.6935 0.000000 0.6934981 
1 1 1   24   24    7 o   19.802   1.8264   47.324   8.4438   52.400   11.914   42.200   11.969   20.662   2.4921   18.402   2.8464 2.259792 3.783192 
1 1 1   24   24    8 o   35.337   2.3431  151.498   19.441  164.800   27.548  138.300   27.440   36.431   3.2360   33.182   3.5576 3.248920 4.809129 
1 1 1   24   24    9 o   13.168   1.6937   21.059   5.1444   19.800   7.3027   22.300   7.2483   12.559   2.5495   13.391   2.3793 -0.8321161 3.487277 
1 1 1   24   24   10 o   33.694   2.2867  137.814   18.086  127.900   25.531  147.800   25.623   31.908   3.4431   34.467   3.1842 -2.559629 4.689779 
1 1 1   24   24   11 o   61.853   3.7718  483.613   54.826  467.800   77.569  499.400   77.503   58.457   5.6915   60.732   5.4628 -2.274303 7.888956 
1 1 1   24   24   12 o   20.947   1.8471   53.050   9.0424   56.800   12.788   49.300   12.788   21.451   2.5761   19.886   2.8008 1.565218 3.805377 
1 1 1   24   24   13 o   35.258   2.4508  151.838   20.278  139.300   28.779  164.200   28.576   33.036   3.7559   36.138   3.3883 -3.101841 5.058419 
1 1 1   24   24   14 o   7.0990   1.7666   6.2818   2.9496   5.7000   4.2976   6.8000   4.0557   6.9650   2.2731   7.4260   2.1739 -0.4609876 3.145348 
1 1 1   24   24   15 o   34.977   2.2555  149.101   18.530  169.500   26.540  129.700   25.882   36.818   3.0810   31.926   3.4900 4.892208 4.655378 
1 1 1   24   24   16 o   17.047   2.5538   36.300   9.9635   0.0000   0.0000   36.300   9.9635  ?   ?    17.047   2.5538 0.000000 2.553752 
1 1 1   24   24   17 o   10.989   2.4240   15.300   6.1210   0.0000   0.0000   15.300   6.1210  ?   ?    10.989   2.4240 0.000000 2.423997 
1 1 1   24   24   18 o   22.738   2.8153   64.900   14.793   0.0000   0.0000   64.900   14.793  ?   ?    22.738   2.8153 0.000000 2.815269 
1 1 1   24   24   19 o   41.566   4.1019  227.600   39.736   0.0000   0.0000  227.600   39.736  ?   ?    41.566   4.1019 0.000000 4.101882 
1 1 1   24   24   20 f   11.115   2.4362   15.700   6.2176   0.0000   0.0000   15.700   6.2176  ?   ?    11.115   2.4362 0.000000 2.436184 
1 1 1   24   24   21 o   2.8046   1.2743  -1.1000   1.8397   0.0000   0.0000  -1.1000   1.8397  ?   ?    2.8046   1.2743 0.000000 1.274269 
1 1 1   24   24   22 o   4.6254   1.9412   0.5000   3.5810   0.0000   0.0000   0.5000   3.5810  ?   ?    4.6254   1.9412 0.000000 1.941191 
1 1 1   24   24   23 f   33.249   3.5226  143.900   27.235   0.0000   0.0000  143.900   27.235  ?   ?    33.249   3.5226 0.000000 3.522579 
1 1 1   24   24   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   25 f   19.732   2.8292   50.100   12.805   0.0000   0.0000   50.100   12.805  ?   ?    19.732   2.8292 0.000000 2.829177 
1 1 1   24   24   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   24   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25    0 o   6.4893   2.7263   7.1000   4.2017   7.1000   4.2017   7.1000   4.2017   6.4893   2.7263   6.4893   2.7263 0.000000 0.000000 
1 1 1   24   25    1 o   32.787   2.2704  130.233   17.469  134.400   24.755  126.100   24.656   32.892   3.2288   31.801   3.3329 1.091383 4.640399 
1 1 1   24   25    2 o   7.3279   1.6898   6.6686   2.8642   7.6000   4.0115   5.7000   4.0909   7.8200   2.1194   6.9392   2.2136 0.8808117 3.064681 
1 1 1   24   25    3 o   20.459   1.8305   50.499   8.7499   50.700   12.402   50.300   12.347   20.266   2.6554   20.185   2.6548 0.8120346E-01 3.754942 
1 1 1   24   25    4 o   34.888   2.3816  147.816   19.503  129.800   27.593  165.800   27.570   32.050   3.7148   36.546   3.2278 -4.495777 4.921256 
1 1 1   24   25    5 o   26.179   1.9810   82.743   12.156   97.400   17.224   68.200   17.157   28.195   2.6170   23.334   3.1980 4.861134 4.132278 
1 1 1   24   25    6 o   41.674   2.6719  212.336   26.155  216.500   37.052  208.200   36.927   41.346   3.8388   40.489   3.9109 0.8569374 5.480123 
1 1 1   24   25    7 o   25.994   2.0095   81.699   12.239   79.600   17.305   83.800   17.312   25.319   2.9497   26.021   2.8649 -0.7020893 4.111962 
1 1 1   24   25    8 o   38.468   2.5262  180.638   22.820  183.500   32.340  177.800   32.205   38.119   3.6370   37.486   3.6860 0.6331902 5.178234 
1 1 1   24   25    9 o   34.445   2.3765  144.477   19.212  169.400   27.155  119.500   27.184   36.902   3.1463   30.563   3.8522 6.339365 4.973846 
1 1 1   24   25   10 o   53.995   3.3261  363.950   42.202  341.900   59.682  386.000   59.682   50.577   5.0653   54.175   4.7123 -3.598255 6.918303 
1 1 1   24   25   11 o   31.321   2.1731  119.089   15.973  127.500   22.741  110.900   22.440   32.002   3.0461   29.724   3.2500 2.278458 4.454362 
1 1 1   24   25   12 o   53.109   3.2062  351.851   40.021  394.500   56.765  309.700   56.432   54.970   4.4103   47.967   5.0585 7.003048 6.711124 
1 1 1   24   25   13 o   38.827   2.6120  185.419   23.809  179.900   33.885  190.800   33.461   37.347   3.8998   38.618   3.7151 -1.271095 5.386115 
1 1 1   24   25   14 o   15.036   1.7229   27.482   6.0068   29.800   8.7332   25.400   8.2751   15.445   2.4784   14.208   2.5607 1.236713 3.563674 
1 1 1   24   25   15 o   18.289   2.6136   41.800   10.967   0.0000   0.0000   41.800   10.967  ?   ?    18.289   2.6136 0.000000 2.613620 
1 1 1   24   25   16 o   37.661   3.7305  183.100   32.739   0.0000   0.0000  183.100   32.739  ?   ?    37.661   3.7305 0.000000 3.730478 
1 1 1   24   25   17 o   14.314   2.5118   25.800   8.1801   0.0000   0.0000   25.800   8.1801  ?   ?    14.314   2.5118 0.000000 2.511816 
1 1 1   24   25   18 o   6.7901   2.1846   5.5000   3.9778   0.0000   0.0000   5.5000   3.9778  ?   ?    6.7901   2.1846 0.000000 2.184607 
1 1 1   24   25   19 o   6.8945   2.2044   5.7000   4.0551   0.0000   0.0000   5.7000   4.0551  ?   ?    6.8945   2.2044 0.000000 2.204418 
1 1 1   24   25   20 o   22.670   2.8215   64.800   14.777   0.0000   0.0000   64.800   14.777  ?   ?    22.670   2.8215 0.000000 2.821491 
1 1 1   24   25   21 o   11.820   2.5879   17.900   7.0231   0.0000   0.0000   17.900   7.0231  ?   ?    11.820   2.5879 0.000000 2.587888 
1 1 1   24   25   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   23 o   5.2714   2.1468   1.5000   4.2041   0.0000   0.0000   1.5000   4.2041  ?   ?    5.2714   2.1468 0.000000 2.146843 
1 1 1   24   25   24 f   37.137   3.9126  187.000   33.795   0.0000   0.0000  187.000   33.795  ?   ?    37.137   3.9126 0.000000 3.912619 
1 1 1   24   25   25 o   21.582   2.9198   60.700   14.498   0.0000   0.0000   60.700   14.498  ?   ?    21.582   2.9198 0.000000 2.919754 
1 1 1   24   25   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   25   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26    0 o   34.140   3.4359  145.300   27.056  145.300   27.056  145.300   27.056   34.140   3.4359   34.140   3.4359 0.000000 0.000000 
1 1 1   24   26    1 o   12.990   1.6866   20.506   5.0513   21.500   7.1236   19.500   7.1639   13.135   2.3845   12.461   2.5211 0.6737604 3.470146 
1 1 1   24   26    2 o   45.625   2.7795  255.376   29.803  293.100   42.218  217.900   42.078   48.175   3.7404   40.980   4.4182 7.195194 5.788879 
1 1 1   24   26    3 o   29.156   2.1399  103.010   14.630  106.600   20.661   99.400   20.719   29.294   3.0306   28.216   3.1641 1.077871 4.381350 
1 1 1   24   26    4 o   8.2797   1.7332   8.5061   3.2800   11.600   4.5636   5.2000   4.7175   9.6393   2.0670   6.8699   2.3821 2.769447 3.153851 
1 1 1   24   26    5 o   6.2680   1.6842   4.8608   2.5460   4.7000   3.7381   5.0000   3.4773   6.3936   2.1217   6.4764   2.0381 -0.8283758E-01 2.942008 
1 1 1   24   26    6 o   7.3361   1.8067   6.7061   3.1091   0.8000   4.4786   12.200   4.3195   5.2364   2.1822   9.9180   1.9137 -4.681583 2.902479 
1 1 1   24   26    7 o   23.334   1.9077   65.832   10.420   68.700   14.783   63.000   14.689   23.570   2.7051   22.513   2.8253 1.056948 3.911544 
1 1 1   24   26    8 o   22.263   1.8953   59.966   9.8686   65.700   13.937   54.200   13.976   23.074   2.6035   20.813   2.9244 2.261112 3.915381 
1 1 1   24   26    9 o   17.272   1.8389   36.209   7.3846   29.200   10.567   42.900   10.324   15.126   3.0634   18.651   2.3999 -3.524869 3.891484 
1 1 1   24   26   10 o   10.261   1.8247   13.012   4.2593   8.7000   6.1855   16.900   5.8737   8.4862   2.7236   11.631   2.2196 -3.144961 3.513448 
1 1 1   24   26   11 o   48.569   2.8555  291.950   32.606  349.700   46.253  234.900   45.971   52.298   3.7706   41.918   4.7268 10.37934 6.046532 
1 1 1   24   26   12 o   42.147   2.8858  220.556   28.548  194.500   40.575  246.100   40.175   38.184   4.5921   43.633   3.9417 -5.449253 6.051814 
1 1 1   24   26   13 o   20.513   2.6697   52.500   12.626   0.0000   0.0000   52.500   12.626  ?   ?    20.513   2.6697 0.000000 2.669715 
1 1 1   24   26   14 o   34.887   3.5216  155.700   28.614   0.0000   0.0000  155.700   28.614  ?   ?    34.887   3.5216 0.000000 3.521564 
1 1 1   24   26   15 o   13.572   2.4760   23.200   7.6428   0.0000   0.0000   23.200   7.6428  ?   ?    13.572   2.4760 0.000000 2.476019 
1 1 1   24   26   16 o   30.212   3.2286  115.900   22.676   0.0000   0.0000  115.900   22.676  ?   ?    30.212   3.2286 0.000000 3.228613 
1 1 1   24   26   17 o   24.867   2.9310   77.900   16.880   0.0000   0.0000   77.900   16.880  ?   ?    24.867   2.9310 0.000000 2.931003 
1 1 1   24   26   18 o   18.855   2.6812   44.700   11.601   0.0000   0.0000   44.700   11.601  ?   ?    18.855   2.6812 0.000000 2.681236 
1 1 1   24   26   19 o   6.8614   2.1602   5.7000   3.9060   0.0000   0.0000   5.7000   3.9060  ?   ?    6.8614   2.1602 0.000000 2.160242 
1 1 1   24   26   20 o   15.107   2.5646   28.900   8.8215   0.0000   0.0000   28.900   8.8215  ?   ?    15.107   2.5646 0.000000 2.564599 
1 1 1   24   26   21 o   16.136   2.7140   33.200   9.9739   0.0000   0.0000   33.200   9.9739  ?   ?    16.136   2.7140 0.000000 2.714002 
1 1 1   24   26   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   23 o   34.477   3.7722  160.200   30.209   0.0000   0.0000  160.200   30.209  ?   ?    34.477   3.7722 0.000000 3.772221 
1 1 1   24   26   24 o   16.613   2.7787   36.000   10.516   0.0000   0.0000   36.000   10.516  ?   ?    16.613   2.7787 0.000000 2.778703 
1 1 1   24   26   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   26   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27    0 o   5.2877   2.4967   4.9000   3.5240   4.9000   3.5240   4.9000   3.5240   5.2877   2.4967   5.2877   2.4967 0.000000 0.000000 
1 1 1   24   27    1 o   8.5868   1.7615   9.1500   3.4520   14.500   4.8818   3.8000   4.8818   10.817   1.9843   6.3935   2.3950 4.423897 3.110178 
1 1 1   24   27    2 o   6.9308   1.7216   5.9781   2.8050   6.5000   3.8691   5.4000   4.0723   7.2680   2.1221   6.7889   2.2126 0.4791398 3.065779 
1 1 1   24   27    3 o   4.7293   1.5604   2.5517   2.0231  -2.0000   2.8312   7.3000   2.8918   3.3961   1.5573   7.6691   1.6461 -4.272948 2.266000 
1 1 1   24   27    4 o   17.559   1.7263   37.283   7.0656   44.200   10.041   30.500   9.9438   18.977   2.2869   15.556   2.8105 3.420754 3.623379 
1 1 1   24   27    5 o   10.580   1.7003   13.733   4.1042   12.600   5.7616   14.900   5.8477   9.9855   2.4596   10.885   2.3443 -0.8997116 3.397883 
1 1 1   24   27    6 o   43.568   2.7853  234.050   28.505  234.800   40.313  233.300   40.313   42.655   4.0509   42.504   4.0661 0.1507072 5.739654 
1 1 1   24   27    7 o   27.740   2.0950   93.488   13.622   94.200   19.431   92.800   19.102   27.424   3.0523   27.233   3.0213 0.1911697 4.294757 
1 1 1   24   27    8 o   13.136   1.7288   21.045   5.2322   19.600   7.5204   22.400   7.2842   12.430   2.6434   13.381   2.3932 -0.9504900 3.565837 
1 1 1   24   27    9 o   19.816   1.7550   47.510   8.1269   56.300   11.622   39.100   11.368   21.396   2.3384   17.616   2.8287 3.779886 3.670065 
1 1 1   24   27   10 o   17.737   1.7367   38.124   7.1805   42.300   10.317   34.200  10.0000   18.480   2.4226   16.508   2.6554 1.971617 3.594415 
1 1 1   24   27   11 o   6.0562   1.8417   4.4442   2.8680   3.4000   4.2735   5.3000   3.8687   6.0053   2.2425   6.6847   2.1548 -0.6794562 3.109994 
1 1 1   24   27   12 o   18.468   2.5906   42.600   10.987   0.0000   0.0000   42.600   10.987  ?   ?    18.468   2.5906 0.000000 2.590596 
1 1 1   24   27   13 f   34.566   3.5074  152.900   28.232   0.0000   0.0000  152.900   28.232  ?   ?    34.566   3.5074 0.000000 3.507394 
1 1 1   24   27   14 o   22.044   2.7644   60.900   14.073   0.0000   0.0000   60.900   14.073  ?   ?    22.044   2.7644 0.000000 2.764365 
1 1 1   24   27   15 o   8.0446   2.4510   8.0000   5.0759   0.0000   0.0000   8.0000   5.0759  ?   ?    8.0446   2.4510 0.000000 2.450954 
1 1 1   24   27   16 o   10.376   2.4406   13.700   5.8799   0.0000   0.0000   13.700   5.8799  ?   ?    10.376   2.4406 0.000000 2.440592 
1 1 1   24   27   17 o   33.653   3.4782  145.800   27.241   0.0000   0.0000  145.800   27.241  ?   ?    33.653   3.4782 0.000000 3.478181 
1 1 1   24   27   18 o   12.983   2.5068   21.400   7.4068   0.0000   0.0000   21.400   7.4068  ?   ?    12.983   2.5068 0.000000 2.506844 
1 1 1   24   27   19 o   35.073   3.6093  160.300   29.466   0.0000   0.0000  160.300   29.466  ?   ?    35.073   3.6093 0.000000 3.609317 
1 1 1   24   27   20 o   12.742   2.6609   20.900   7.7476   0.0000   0.0000   20.900   7.7476  ?   ?    12.742   2.6609 0.000000 2.660853 
1 1 1   24   27   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   22 o   9.0952   2.5706   10.700   5.7659   0.0000   0.0000   10.700   5.7659  ?   ?    9.0952   2.5706 0.000000 2.570617 
1 1 1   24   27   23 o   11.033   2.7097   16.100   7.0081   0.0000   0.0000   16.100   7.0081  ?   ?    11.033   2.7097 0.000000 2.709660 
1 1 1   24   27   24 o   21.554   2.9164   61.500   14.462   0.0000   0.0000   61.500   14.462  ?   ?    21.554   2.9164 0.000000 2.916375 
1 1 1   24   27   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   27   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28    0 o   7.5766   2.8679   9.3000   4.8130   9.3000   4.8130   9.3000   4.8130   7.5766   2.8679   7.5766   2.8679 0.000000 0.000000 
1 1 1   24   28    1 o   16.151   1.7838   31.688   6.6896   24.100   9.5164   39.100   9.4056   13.708   3.0214   17.814   2.2890 -4.105854 3.790516 
1 1 1   24   28    2 o   30.167   2.1778  110.743   15.409  103.000   21.781  118.500   21.802   28.552   3.2908   30.790   3.0382 -2.237768 4.478884 
1 1 1   24   28    3 o   15.290   1.7006   28.366   6.0358   30.800   8.5969   26.000   8.4762   15.747   2.3868   14.380   2.5916 1.367340 3.523190 
1 1 1   24   28    4 o   13.425   1.6759   21.926   5.1969   17.400   7.3301   26.500   7.3692   11.685   2.7093   14.638   2.1999 -2.953312 3.489950 
1 1 1   24   28    5 o  ?   ?   -3.0659   0.5060   0.2000   1.6610  -3.4000   0.5312   3.1626   1.3244  ?   ?  0.000000 1.324390 
1 1 1   24   28    6 o   22.261   1.8671   60.046   9.7241   65.900   13.878   54.400   13.629   23.065   2.5929   20.831   2.8452 2.233931 3.849450 
1 1 1   24   28    7 o   12.439   1.7754   18.951   5.0670   15.800   7.3527   21.800   6.9924   11.110   2.8028   13.207   2.3272 -2.096593 3.643006 
1 1 1   24   28    8 o   28.621   2.0965   99.694   14.071  110.900   19.949   88.600   19.849   29.821   2.8684   26.429   3.2489 3.391645 4.333951 
1 1 1   24   28    9 o   3.6993   1.4562   0.9392   1.8673  -1.4000   2.7653   2.9000   2.5318   3.5025   1.5796   5.1124   1.7463 -1.609909 2.354724 
1 1 1   24   28   10 o   38.275   2.4928  180.114   22.407  190.000   31.997  170.600   31.388   38.547   3.5554   36.395   3.7039 2.151340 5.134152 
1 1 1   24   28   11 o   36.626   3.6475  172.500   31.127   0.0000   0.0000  172.500   31.127  ?   ?    36.626   3.6475 0.000000 3.647527 
1 1 1   24   28   12 f   10.734   2.3896   14.600   5.9011   0.0000   0.0000   14.600   5.9011  ?   ?    10.734   2.3896 0.000000 2.389621 
1 1 1   24   28   13 o   18.684   2.6220   43.700   11.250   0.0000   0.0000   43.700   11.250  ?   ?    18.684   2.6220 0.000000 2.622048 
1 1 1   24   28   14 o   7.3925   2.2658   6.7000   4.3295   0.0000   0.0000   6.7000   4.3295  ?   ?    7.3925   2.2658 0.000000 2.265751 
1 1 1   24   28   15 o   14.065   2.5293   25.000   8.0915   0.0000   0.0000   25.000   8.0915  ?   ?    14.065   2.5293 0.000000 2.529309 
1 1 1   24   28   16 o   5.9983   2.0742   4.0000   3.5755   0.0000   0.0000   4.0000   3.5755  ?   ?    5.9983   2.0742 0.000000 2.074165 
1 1 1   24   28   17 o   26.641   3.0280   90.200   18.710   0.0000   0.0000   90.200   18.710  ?   ?    26.641   3.0280 0.000000 3.028049 
1 1 1   24   28   18 o   15.501   2.6006   30.500   9.1823   0.0000   0.0000   30.500   9.1823  ?   ?    15.501   2.6006 0.000000 2.600646 
1 1 1   24   28   19 f   27.337   3.1091   96.200   19.713   0.0000   0.0000   96.200   19.713  ?   ?    27.337   3.1091 0.000000 3.109073 
1 1 1   24   28   20 o   10.524   2.6181   14.400   6.4797   0.0000   0.0000   14.400   6.4797  ?   ?    10.524   2.6181 0.000000 2.618121 
1 1 1   24   28   21 o   17.661   2.7249   40.300   10.998   0.0000   0.0000   40.300   10.998  ?   ?    17.661   2.7249 0.000000 2.724866 
1 1 1   24   28   22 o   5.4846   2.1560   2.4000   4.0888   0.0000   0.0000   2.4000   4.0888  ?   ?    5.4846   2.1560 0.000000 2.156040 
1 1 1   24   28   23 o   11.455   2.6730   17.500   7.0981   0.0000   0.0000   17.500   7.0981  ?   ?    11.455   2.6730 0.000000 2.672987 
1 1 1   24   28   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   28   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29    0 o   25.729   3.0344   83.300   17.763   83.300   17.763   83.300   17.763   25.729   3.0344   25.729   3.0344 0.000000 0.000000 
1 1 1   24   29    1 o   15.345   1.7066   28.600   6.0792   28.700   8.5865   28.500   8.6081   15.145   2.4873   15.086   2.5042 0.5920696E-01 3.529529 
1 1 1   24   29    2 o   4.4942   1.5577   2.1826   2.0170  -1.1000   2.8045   5.7000   2.9031   3.6195   1.6147   6.7653   1.7896 -3.145755 2.410416 
1 1 1   24   29    3 o   33.332   2.2666  135.663   17.734  157.800   25.158  113.800   25.002   35.513   3.0290   29.754   3.6340 5.758944 4.730814 
1 1 1   24   29    4 o   4.8540   1.6694   2.5841   2.3147  -0.6000   3.5671   4.9000   3.0422   4.2915   1.8712   6.3343   1.8902 -2.042779 2.659750 
1 1 1   24   29    5 o   44.313   2.8033  243.422   29.182  252.800   41.444  234.200   41.098   44.080   4.0260   42.277   4.1711 1.802998 5.797148 
1 1 1   24   29    6 o   33.569   2.3369  137.959   18.408  136.200   26.098  139.700   25.969   32.698   3.4312   33.166   3.3624 -0.4677505 4.804089 
1 1 1   24   29    7 o   8.7053   1.8722   9.4706   3.7342   4.2000   5.4607   14.100   5.1178   6.7103   2.5292   10.611   2.1167 -3.900683 3.298076 
1 1 1   24   29    8 o   23.412   1.8786   66.491   10.298   74.000   14.887   59.600   14.261   24.409   2.6240   21.787   2.8394 2.622213 3.866237 
1 1 1   24   29    9 o   31.995   3.3261  130.100   24.762   0.0000   0.0000  130.100   24.762  ?   ?    31.995   3.3261 0.000000 3.326085 
1 1 1   24   29   10 o   36.150   3.6147  167.900   30.443   0.0000   0.0000  167.900   30.443  ?   ?    36.150   3.6147 0.000000 3.614673 
1 1 1   24   29   11 o   17.952   2.6259   40.400   10.802   0.0000   0.0000   40.400   10.802  ?   ?    17.952   2.6259 0.000000 2.625907 
1 1 1   24   29   12 o   17.365   2.6892   38.000   10.671   0.0000   0.0000   38.000   10.671  ?   ?    17.365   2.6892 0.000000 2.689235 
1 1 1   24   29   13 o   18.404   2.6597   42.600   11.223   0.0000   0.0000   42.600   11.223  ?   ?    18.404   2.6597 0.000000 2.659662 
1 1 1   24   29   14 o   5.5667   2.0837   2.9000   3.6939   0.0000   0.0000   2.9000   3.6939  ?   ?    5.5667   2.0837 0.000000 2.083692 
1 1 1   24   29   15 o   7.1758   2.4627   5.9000   5.0356   0.0000   0.0000   5.9000   5.0356  ?   ?    7.1758   2.4627 0.000000 2.462656 
1 1 1   24   29   16 o   5.2193   1.9846   2.4000   3.3809   0.0000   0.0000   2.4000   3.3809  ?   ?    5.2193   1.9846 0.000000 1.984574 
1 1 1   24   29   17 o   6.4513   2.3022   4.5000   4.4292   0.0000   0.0000   4.5000   4.4292  ?   ?    6.4513   2.3022 0.000000 2.302225 
1 1 1   24   29   18 o   14.371   2.6826   26.600   8.7690   0.0000   0.0000   26.600   8.7690  ?   ?    14.371   2.6826 0.000000 2.682632 
1 1 1   24   29   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   29   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30    0 o   4.5051   2.4072   3.5000   3.4947   3.5000   3.4947   3.5000   3.4947   4.5051   2.4072   4.5051   2.4072 0.000000 0.000000 
1 1 1   24   30    1 o   15.127   1.8086   27.911   6.3322   23.100   9.0625   32.500   8.8515   13.408   2.9431   16.161   2.3916 -2.753454 3.792318 
1 1 1   24   30    2 o   29.426   2.1929  105.702   15.128   88.800   21.427  122.500   21.361   26.273   3.5441   31.305   2.9235 -5.031595 4.594318 
1 1 1   24   30    3 o   25.385   1.9940   78.336   11.856   85.600   16.783   71.100   16.752   26.213   2.7525   23.720   3.0623 2.493231 4.117499 
1 1 1   24   30    4 o   33.080   2.3154  133.947   17.972  135.200   25.449  132.700   25.385   32.620   3.3516   32.296   3.3785 0.3233452 4.758949 
1 1 1   24   30    5 o   20.348   1.8762   50.315   8.9133   41.800   12.654   58.700   12.557   18.099   3.0704   21.770   2.4874 -3.670647 3.951517 
1 1 1   24   30    6 o   20.319   1.8551   50.147   8.8025   50.400   12.528   49.900   12.370   20.061   2.7144   19.969   2.6920 0.9206772E-01 3.822948 
1 1 1   24   30    7 o   21.805   1.9418   57.852   9.8939   48.900   14.074   66.600   13.912   19.563   3.1539   23.155   2.5887 -3.592136 4.080235 
1 1 1   24   30    8 o   18.976   2.6500   45.100   11.551   0.0000   0.0000   45.100   11.551  ?   ?    18.976   2.6500 0.000000 2.650030 
1 1 1   24   30    9 o   16.741   2.5911   35.200   9.9118   0.0000   0.0000   35.200   9.9118  ?   ?    16.741   2.5911 0.000000 2.591089 
1 1 1   24   30   10 o   7.9283   2.3810   7.8000   4.8155   0.0000   0.0000   7.8000   4.8155  ?   ?    7.9283   2.3810 0.000000 2.380958 
1 1 1   24   30   11 o   18.157   2.6639   41.500   11.082   0.0000   0.0000   41.500   11.082  ?   ?    18.157   2.6639 0.000000 2.663944 
1 1 1   24   30   12 o   14.144   2.5274   25.300   8.1311   0.0000   0.0000   25.300   8.1311  ?   ?    14.144   2.5274 0.000000 2.527352 
1 1 1   24   30   13 o   16.636   2.7063   35.100   10.266   0.0000   0.0000   35.100   10.266  ?   ?    16.636   2.7063 0.000000 2.706275 
1 1 1   24   30   14 o   5.3161   2.0584   2.3000   3.6820   0.0000   0.0000   2.3000   3.6820  ?   ?    5.3161   2.0584 0.000000 2.058370 
1 1 1   24   30   15 o   7.8956   2.4897   7.7000   5.1864   0.0000   0.0000   7.7000   5.1864  ?   ?    7.8956   2.4897 0.000000 2.489687 
1 1 1   24   30   16 o   15.737   2.6574   31.700   9.5231   0.0000   0.0000   31.700   9.5231  ?   ?    15.737   2.6574 0.000000 2.657376 
1 1 1   24   30   17 f   17.204   2.8212   38.300   11.064   0.0000   0.0000   38.300   11.064  ?   ?    17.204   2.8212 0.000000 2.821194 
1 1 1   24   30   18 o   29.200   3.3818  113.600   22.887   0.0000   0.0000  113.600   22.887  ?   ?    29.200   3.3818 0.000000 3.381832 
1 1 1   24   30   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   30   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31    0 o   20.832   2.8125   55.100   13.125   55.100   13.125   55.100   13.125   20.832   2.8125   20.832   2.8125 0.000000 0.000000 
1 1 1   24   31    1 o   22.319   1.9041   60.542   9.9391   63.300   14.075   57.800   14.037   22.512   2.7018   21.437   2.8431 1.074926 3.922108 
1 1 1   24   31    2 o   21.067   1.8537   53.908   9.1280   48.200   12.862   59.700   12.956   19.533   2.8745   21.917   2.5512 -2.383968 3.843383 
1 1 1   24   31    3 o   12.453   1.7905   19.033   5.1135   12.800   7.3117   25.000   7.1540   10.026   2.9143   14.184   2.2078 -4.157605 3.656152 
1 1 1   24   31    4 o   35.988   2.4490  159.372   20.688  163.300   29.364  155.500   29.152   35.673   3.5323   34.747   3.6054 0.9255791 5.047373 
1 1 1   24   31    5 o   39.247   2.4159  189.291   22.281  227.600   31.746  152.100   31.280   42.446   3.1907   34.060   3.9633 8.386459 5.088032 
1 1 1   24   31    6 o   15.104   2.5995   28.800   8.9369   0.0000   0.0000   28.800   8.9369  ?   ?    15.104   2.5995 0.000000 2.599508 
1 1 1   24   31    7 f   6.6953   2.2862   5.1000   4.3393   0.0000   0.0000   5.1000   4.3393  ?   ?    6.6953   2.2862 0.000000 2.286227 
1 1 1   24   31    8 o   3.3484   1.4860  -0.8000   2.3434   0.0000   0.0000  -0.8000   2.3434  ?   ?    3.3484   1.4860 0.000000 1.485965 
1 1 1   24   31    9 o   18.951   2.7251   45.300   11.844   0.0000   0.0000   45.300   11.844  ?   ?    18.951   2.7251 0.000000 2.725056 
1 1 1   24   31   10 o   16.809   2.6467   35.700   10.158   0.0000   0.0000   35.700   10.158  ?   ?    16.809   2.6467 0.000000 2.646692 
1 1 1   24   31   11 o   6.2755   2.1308   4.5000   3.7692   0.0000   0.0000   4.5000   3.7692  ?   ?    6.2755   2.1308 0.000000 2.130818 
1 1 1   24   31   12 o   7.8786   2.4335   7.7000   4.9834   0.0000   0.0000   7.7000   4.9834  ?   ?    7.8786   2.4335 0.000000 2.433522 
1 1 1   24   31   13 o   20.800   2.8686   55.300   13.715   0.0000   0.0000   55.300   13.715  ?   ?    20.800   2.8686 0.000000 2.868618 
1 1 1   24   31   14 o   17.853   2.7326   40.800   11.153   0.0000   0.0000   40.800   11.153  ?   ?    17.853   2.7326 0.000000 2.732636 
1 1 1   24   31   15 o   25.843   3.1526   87.100   18.839   0.0000   0.0000   87.100   18.839  ?   ?    25.843   3.1526 0.000000 3.152570 
1 1 1   24   31   16 o   32.740   3.5874  144.400   27.281   0.0000   0.0000  144.400   27.281  ?   ?    32.740   3.5874 0.000000 3.587409 
1 1 1   24   31   17 f   11.052   2.7200   16.200   7.0505   0.0000   0.0000   16.200   7.0505  ?   ?    11.052   2.7200 0.000000 2.719960 
1 1 1   24   31   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   31   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32    0 o   5.5131   2.7011   5.4000   4.1712   5.4000   4.1712   5.4000   4.1712   5.5131   2.7011   5.5131   2.7011 0.000000 0.000000 
1 1 1   24   32    1 o   18.115   1.8080   39.950   7.6306   40.000   10.753   39.900   10.830   17.836   2.6323   17.803   2.6576 0.3278732E-01 3.740557 
1 1 1   24   32    2 f   25.268   2.0477   77.952   12.113   82.600   17.037   73.200   17.225   25.625   2.8646   23.974   3.1164 1.650787 4.232971 
1 1 1   24   32    3 o   15.536   1.7296   29.406   6.2378   45.200   8.9519   14.500   8.6967   19.214   2.0025   10.629   3.2015 8.584930 3.776140 
1 1 1   24   32    4 o   36.011   3.6864  168.400   30.905   0.0000   0.0000  168.400   30.905  ?   ?    36.011   3.6864 0.000000 3.686374 
1 1 1   24   32    5 o   25.213   2.9540   80.400   17.254   0.0000   0.0000   80.400   17.254  ?   ?    25.213   2.9540 0.000000 2.954016 
1 1 1   24   32    6 o   15.115   2.5801   28.900   8.8783   0.0000   0.0000   28.900   8.8783  ?   ?    15.115   2.5801 0.000000 2.580101 
1 1 1   24   32    7 o   10.518   2.3884   14.100   5.7968   0.0000   0.0000   14.100   5.7968  ?   ?    10.518   2.3884 0.000000 2.388382 
1 1 1   24   32    8 o   5.3093   1.9721   2.7000   3.2963   0.0000   0.0000   2.7000   3.2963  ?   ?    5.3093   1.9721 0.000000 1.972074 
1 1 1   24   32    9 o   9.0243   2.4285   10.400   5.2888   0.0000   0.0000   10.400   5.2888  ?   ?    9.0243   2.4285 0.000000 2.428452 
1 1 1   24   32   10 o   11.499   2.6572   17.100   7.0704   0.0000   0.0000   17.100   7.0704  ?   ?    11.499   2.6572 0.000000 2.657161 
1 1 1   24   32   11 o   5.0735   2.0946   1.1000   4.0713   0.0000   0.0000   1.1000   4.0713  ?   ?    5.0735   2.0946 0.000000 2.094635 
1 1 1   24   32   12 o   16.474   2.7213   34.900   10.216   0.0000   0.0000   34.900   10.216  ?   ?    16.474   2.7213 0.000000 2.721270 
1 1 1   24   32   13 o  ?   ?   -6.2000   1.0768   0.0000   0.0000  -6.2000   1.0768  ?   ?   ?   ?  0.000000      ? 
1 1 1   24   32   14 o   15.824   2.6892   32.500   9.6887   0.0000   0.0000   32.500   9.6887  ?   ?    15.824   2.6892 0.000000 2.689179 
1 1 1   24   32   15 f   32.647   3.6400  146.000   27.583   0.0000   0.0000  146.000   27.583  ?   ?    32.647   3.6400 0.000000 3.639978 
1 1 1   24   32   16 o   4.7007   1.9412   1.0000   3.4978   0.0000   0.0000   1.0000   3.4978  ?   ?    4.7007   1.9412 0.000000 1.941174 
1 1 1   24   32   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   32   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33    0 o   23.083   2.9462   67.800   15.345   67.800   15.345   67.800   15.345   23.083   2.9462   23.083   2.9462 0.000000 0.000000 
1 1 1   24   33    1 o   20.663   1.9153   52.212   9.2394   55.300   13.383   49.400   12.771   20.889   2.7823   19.706   2.8254 1.182840 3.965383 
1 1 1   24   33    2 o   5.5577   2.0830   2.9000   3.6939   0.0000   0.0000   2.9000   3.6939  ?   ?    5.5577   2.0830 0.000000 2.083036 
1 1 1   24   33    3 o   27.009   3.0755   93.300   19.265   0.0000   0.0000   93.300   19.265  ?   ?    27.009   3.0755 0.000000 3.075463 
1 1 1   24   33    4 o   23.280   2.8665   68.900   15.425   0.0000   0.0000   68.900   15.425  ?   ?    23.280   2.8665 0.000000 2.866518 
1 1 1   24   33    5 o   3.6286   1.6251  -1.2000   2.8701   0.0000   0.0000  -1.2000   2.8701  ?   ?    3.6286   1.6251 0.000000 1.625058 
1 1 1   24   33    6 o   20.046   2.7799   51.200   12.805   0.0000   0.0000   51.200   12.805  ?   ?    20.046   2.7799 0.000000 2.779908 
1 1 1   24   33    7 o   6.2901   2.1630   4.5000   3.8855   0.0000   0.0000   4.5000   3.8855  ?   ?    6.2901   2.1630 0.000000 2.162962 
1 1 1   24   33    8 o   14.108   2.6340   25.600   8.4523   0.0000   0.0000   25.600   8.4523  ?   ?    14.108   2.6340 0.000000 2.633996 
1 1 1   24   33    9 o   6.7403   2.3747   5.1000   4.6981   0.0000   0.0000   5.1000   4.6981  ?   ?    6.7403   2.3747 0.000000 2.374711 
1 1 1   24   33   10 o   14.971   2.8990   29.400   9.8783   0.0000   0.0000   29.400   9.8783  ?   ?    14.971   2.8990 0.000000 2.898997 
1 1 1   24   33   11 o   6.2426   2.2539   4.2000   4.2581   0.0000   0.0000   4.2000   4.2581  ?   ?    6.2426   2.2539 0.000000 2.253922 
1 1 1   24   33   12 o   9.0539   2.6301   10.700   5.9567   0.0000   0.0000   10.700   5.9567  ?   ?    9.0539   2.6301 0.000000 2.630065 
1 1 1   24   33   13 o   13.646   2.6266   24.400   8.1566   0.0000   0.0000   24.400   8.1566  ?   ?    13.646   2.6266 0.000000 2.626642 
1 1 1   24   33   14 o   13.784   2.7908   25.300   8.7721   0.0000   0.0000   25.300   8.7721  ?   ?    13.784   2.7908 0.000000 2.790808 
1 1 1   24   33   15 o   8.7078   2.5951  10.0000   5.7368   0.0000   0.0000  10.0000   5.7368  ?   ?    8.7078   2.5951 0.000000 2.595096 
1 1 1   24   33   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   33   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34    1 o   26.898   3.1155   93.800   19.422   0.0000   0.0000   93.800   19.422  ?   ?    26.898   3.1155 0.000000 3.115486 
1 1 1   24   34    2 o   18.539   2.7483   44.100   11.667   0.0000   0.0000   44.100   11.667  ?   ?    18.539   2.7483 0.000000 2.748250 
1 1 1   24   34    3 o   8.5205   2.3615   9.3000   4.9158   0.0000   0.0000   9.3000   4.9158  ?   ?    8.5205   2.3615 0.000000 2.361452 
1 1 1   24   34    4 o   21.061   2.7987   57.000   13.574   0.0000   0.0000   57.000   13.574  ?   ?    21.061   2.7987 0.000000 2.798707 
1 1 1   24   34    5 o   7.9097   2.4048   7.9000   4.8904   0.0000   0.0000   7.9000   4.8904  ?   ?    7.9097   2.4048 0.000000 2.404832 
1 1 1   24   34    6 o   12.328   2.5419   19.700   7.1541   0.0000   0.0000   19.700   7.1541  ?   ?    12.328   2.5419 0.000000 2.541944 
1 1 1   24   34    7 o   20.686   2.8066   55.400   13.355   0.0000   0.0000   55.400   13.355  ?   ?    20.686   2.8066 0.000000 2.806573 
1 1 1   24   34    8 o   10.698   2.8093   15.200   7.1877   0.0000   0.0000   15.200   7.1877  ?   ?    10.698   2.8093 0.000000 2.809252 
1 1 1   24   34    9 o   21.449   2.9362   60.400   14.481   0.0000   0.0000   60.400   14.481  ?   ?    21.449   2.9362 0.000000 2.936170 
1 1 1   24   34   10 o   16.280   2.8102   34.900   10.413   0.0000   0.0000   34.900   10.413  ?   ?    16.280   2.8102 0.000000 2.810168 
1 1 1   24   34   11 o   13.269   2.7477   23.400   8.3257   0.0000   0.0000   23.400   8.3257  ?   ?    13.269   2.7477 0.000000 2.747686 
1 1 1   24   34   12 o   8.4879   2.6482   9.4000   5.8846   0.0000   0.0000   9.4000   5.8846  ?   ?    8.4879   2.6482 0.000000 2.648170 
1 1 1   24   34   13 o   7.9593   2.4754   8.2000   5.1464   0.0000   0.0000   8.2000   5.1464  ?   ?    7.9593   2.4754 0.000000 2.475402 
1 1 1   24   34   14 o   3.8571   1.7490  -1.7000   3.4439   0.0000   0.0000  -1.7000   3.4439  ?   ?    3.8571   1.7490 0.000000 1.748989 
1 1 1   24   34   15 o   28.504   3.4802  114.200   22.939   0.0000   0.0000  114.200   22.939  ?   ?    28.504   3.4802 0.000000 3.480203 
1 1 1   24   34   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   34   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35    4 o   24.210   2.9951   77.100   16.757   0.0000   0.0000   77.100   16.757  ?   ?    24.210   2.9951 0.000000 2.995107 
1 1 1   24   35    5 o   21.383   2.8440   59.800   14.004   0.0000   0.0000   59.800   14.004  ?   ?    21.383   2.8440 0.000000 2.843980 
1 1 1   24   35    6 f   8.0742   2.4112   8.4000   4.9488   0.0000   0.0000   8.4000   4.9488  ?   ?    8.0742   2.4112 0.000000 2.411205 
1 1 1   24   35    7 o   6.1060   2.3039   3.7000   4.5343   0.0000   0.0000   3.7000   4.5343  ?   ?    6.1060   2.3039 0.000000 2.303895 
1 1 1   24   35    8 o   15.360   2.7203   31.200   9.5055   0.0000   0.0000   31.200   9.5055  ?   ?    15.360   2.7203 0.000000 2.720252 
1 1 1   24   35    9 o   27.099   3.2960  100.200   20.656   0.0000   0.0000  100.200   20.656  ?   ?    27.099   3.2960 0.000000 3.295974 
1 1 1   24   35   10 o   5.6642   2.2079   2.8000   4.2585   0.0000   0.0000   2.8000   4.2585  ?   ?    5.6642   2.2079 0.000000 2.207909 
1 1 1   24   35   11 o   7.4019   2.4428   6.9000   4.9577   0.0000   0.0000   6.9000   4.9577  ?   ?    7.4019   2.4428 0.000000 2.442753 
1 1 1   24   35   12 o   5.4604   2.1600   2.4000   4.1277   0.0000   0.0000   2.4000   4.1277  ?   ?    5.4604   2.1600 0.000000 2.159965 
1 1 1   24   35   13 o   3.8163   1.7527  -2.3000   3.6050   0.0000   0.0000  -2.3000   3.6050  ?   ?    3.8163   1.7527 0.000000 1.752687 
1 1 1   24   35   14 o   20.944   2.9949   59.900   14.390   0.0000   0.0000   59.900   14.390  ?   ?    20.944   2.9949 0.000000 2.994897 
1 1 1   24   35   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   35   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36    6 o   6.0466   2.2271   3.9000   4.1872   0.0000   0.0000   3.9000   4.1872  ?   ?    6.0466   2.2271 0.000000 2.227098 
1 1 1   24   36    7 o   22.713   3.0067   69.500   15.729   0.0000   0.0000   69.500   15.729  ?   ?    22.713   3.0067 0.000000 3.006727 
1 1 1   24   36    8 o   25.698   3.2500   90.700   19.281   0.0000   0.0000   90.700   19.281  ?   ?    25.698   3.2500 0.000000 3.250020 
1 1 1   24   36    9 o   11.297   2.7860   17.400   7.3856   0.0000   0.0000   17.400   7.3856  ?   ?    11.297   2.7860 0.000000 2.786005 
1 1 1   24   36   10 o   10.189   2.8870   14.300   7.2630   0.0000   0.0000   14.300   7.2630  ?   ?    10.189   2.8870 0.000000 2.886968 
1 1 1   24   36   11 o   15.157   2.6778   30.800   9.2335   0.0000   0.0000   30.800   9.2335  ?   ?    15.157   2.6778 0.000000 2.677826 
1 1 1   24   36   12 o   10.813   2.8674   16.200   7.4410   0.0000   0.0000   16.200   7.4410  ?   ?    10.813   2.8674 0.000000 2.867409 
1 1 1   24   36   13 o   9.8175   2.5825   13.100   6.0674   0.0000   0.0000   13.100   6.0674  ?   ?    9.8175   2.5825 0.000000 2.582518 
1 1 1   24   36   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   36   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37    9 o   11.010   2.9303   16.900   7.7525   0.0000   0.0000   16.900   7.7525  ?   ?    11.010   2.9303 0.000000 2.930293 
1 1 1   24   37   10 o   10.941   2.8475   16.600   7.4279   0.0000   0.0000   16.600   7.4279  ?   ?    10.941   2.8475 0.000000 2.847530 
1 1 1   24   37   11 o   11.183   2.7625   17.200   7.2525   0.0000   0.0000   17.200   7.2525  ?   ?    11.183   2.7625 0.000000 2.762531 
1 1 1   24   37   12 o   15.859   2.8752   34.400   10.371   0.0000   0.0000   34.400   10.371  ?   ?    15.859   2.8752 0.000000 2.875248 
1 1 1   24   37   13 o   8.0321   2.7223   8.4000   6.1522   0.0000   0.0000   8.4000   6.1522  ?   ?    8.0321   2.7223 0.000000 2.722336 
1 1 1   24   37   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   37   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   38   11 o   10.208   2.8168   14.500   7.0112   0.0000   0.0000   14.500   7.0112  ?   ?    10.208   2.8168 0.000000 2.816792 
1 1 1   24   38   12 o   5.3803   2.2660   1.2000   4.9079   0.0000   0.0000   1.2000   4.9079  ?   ?    5.3803   2.2660 0.000000 2.266027 
1 1 1   24   39    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   24   39    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0    1 o   7.3253   2.0657   7.6934   3.0939   7.6934   3.0939   7.6934   3.0939   7.3253   2.0657   7.3253   2.0657 0.000000 0.000000 
1 1 1   25    0    2 o   21.358   1.9204   55.369   9.5052   55.369   9.5052   55.369   9.5052   21.358   1.9204   21.358   1.9204 0.000000 0.000000 
1 1 1   25    0    3 o   91.865   5.1900  1036.36  111.763  1036.36  111.763  1036.36  111.763   91.865   5.1900   91.865   5.1900 0.000000 0.000000 
1 1 1   25    0    4 o   25.705   2.0067   79.788   12.010   79.788   12.010   79.788   12.010   25.705   2.0067   25.705   2.0067 0.000000 0.000000 
1 1 1   25    0    5 o   3.4582   1.9329   1.9130   2.3607   1.9130   2.3607   1.9130   2.3607   3.4582   1.9329   3.4582   1.9329 0.000000 0.000000 
1 1 1   25    0    6 o   47.888   2.9261  276.598   32.805  276.598   32.805  276.598   32.805   47.888   2.9261   47.888   2.9261 0.000000 0.000000 
1 1 1   25    0    7 o   4.7255   2.2012   3.8723   2.7313   3.8723   2.7313   3.8723   2.7313   4.7255   2.2012   4.7255   2.2012 0.000000 0.000000 
1 1 1   25    0    8 o   34.889   2.3686  146.722   19.307  146.722   19.307  146.722   19.307   34.889   2.3686   34.889   2.3686 0.000000 0.000000 
1 1 1   25    0    9 o   11.371   2.8607   18.000   6.6431   18.000   6.6431   18.000   6.6431   11.371   2.8607   11.371   2.8607 0.000000 0.000000 
1 1 1   25    0   10 o  ?   ?   -4.2837   0.5064  -4.2837   0.5064  -4.2837   0.5064  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   25    0   11 o   29.300   2.1808  103.705   14.896  103.705   14.896  103.705   14.896   29.300   2.1808   29.300   2.1808 0.000000 0.000000 
1 1 1   25    0   12 o   16.533   1.8421   33.610   6.9633   33.610   6.9633   33.610   6.9633   16.533   1.8421   16.533   1.8421 0.000000 0.000000 
1 1 1   25    0   13 o   20.481   1.9456   51.133   9.2144   51.133   9.2144   51.133   9.2144   20.481   1.9456   20.481   1.9456 0.000000 0.000000 
1 1 1   25    0   14 o   3.0463   1.8365   1.0738   2.4058   1.0738   2.4058   1.0738   2.4058   3.0463   1.8365   3.0463   1.8365 0.000000 0.000000 
1 1 1   25    0   15 o   23.694   1.9769   68.075   10.884   68.075   10.884   68.075   10.884   23.694   1.9769   23.694   1.9769 0.000000 0.000000 
1 1 1   25    0   16 o   8.6840   2.1948   10.494   3.8921   10.494   3.8921   10.494   3.8921   8.6840   2.1948   8.6840   2.1948 0.000000 0.000000 
1 1 1   25    0   17 o   51.145   3.1467  317.555   37.674  317.555   37.674  317.555   37.674   51.145   3.1467   51.145   3.1467 0.000000 0.000000 
1 1 1   25    0   18 o   1.1132   0.8133  -3.1863   1.3077  -3.1863   1.3077  -3.1863   1.3077   1.1132   0.8133   1.1132   0.8133 0.000000 0.000000 
1 1 1   25    0   19 o   64.472   3.7718  508.477   56.973  508.477   56.973  508.477   56.973   64.472   3.7718   64.472   3.7718 0.000000 0.000000 
1 1 1   25    0   20 o   58.045   3.4004  410.424   46.241  410.424   46.241  410.424   46.241   58.045   3.4004   58.045   3.4004 0.000000 0.000000 
1 1 1   25    0   21 o   24.151   1.9701   70.738   11.063   70.738   11.063   70.738   11.063   24.151   1.9701   24.151   1.9701 0.000000 0.000000 
1 1 1   25    0   22 o   57.001   5.1427  413.000   67.925  413.000   67.925  413.000   67.925   57.001   5.1427   57.001   5.1427 0.000000 0.000000 
1 1 1   25    0   23 o   23.431   1.8247   66.461   9.9551   66.461   9.9551   66.461   9.9551   23.431   1.8247   23.431   1.8247 0.000000 0.000000 
1 1 1   25    0   24 f   10.387   2.0322   14.209   4.4387   14.209   4.4387   14.209   4.4387   10.387   2.0322   10.387   2.0322 0.000000 0.000000 
1 1 1   25    0   25 o   13.587   2.8888   24.900   8.1479   24.900   8.1479   24.900   8.1479   13.587   2.8888   13.587   2.8888 0.000000 0.000000 
1 1 1   25    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    0   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1    0 o   44.454   4.0657  243.300   41.858  243.300   41.858  243.300   41.858   44.454   4.0657   44.454   4.0657 0.000000 0.000000 
1 1 1   25    1    1 o   11.765   1.6441   16.756   4.4429   15.700   6.1601   17.900   6.4139   11.251   2.3923   12.039   2.3405 -0.7879238 3.346766 
1 1 1   25    1    2 o   56.382   3.3525  386.180   44.433  443.500   62.849  328.900   62.828   59.790   4.4842   50.954   5.2992 8.835751 6.941875 
1 1 1   25    1    3 o   25.898   2.0074   80.394   12.180   84.400   17.239   76.400   17.212   26.355   2.8135   25.019   2.9714 1.336081 4.092045 
1 1 1   25    1    4 o   6.3179   1.6886   4.9085   2.5675   6.7000   3.5750   3.0000   3.6899   7.3776   2.0013   5.6593   2.0896 1.718252 2.893384 
1 1 1   25    1    5 o   26.770   1.9821   85.868   12.440  101.500   17.640   70.400   17.547   28.973   2.6063   23.934   3.1838 5.038845 4.114506 
1 1 1   25    1    6 o   19.442   1.7996   45.360   8.1681   39.000   11.561   51.700   11.542   17.788   2.8484   20.643   2.4134 -2.854855 3.733393 
1 1 1   25    1    7 f   22.413   1.8747   60.250   9.8307   60.600   13.899   59.900   13.906   22.296   2.6945   22.160   2.7143 0.1360741 3.824630 
1 1 1   25    1    8 o   24.953   1.9597   74.694   11.454   78.100   16.213   71.300   16.183   25.329   2.7552   24.150   2.8956 1.178942 3.996933 
1 1 1   25    1    9 o   23.877   1.9054   68.386   10.654   73.700   15.235   63.300   14.903   24.616   2.6635   22.746   2.8363 1.869526 3.890916 
1 1 1   25    1   10 f   47.183   2.8409  269.594   31.505  240.900   44.473  298.500   44.637   43.860   4.3515   49.140   3.8784 -5.279999 5.829009 
1 1 1   25    1   11 o   25.143   1.8656   75.780   10.997   93.400   15.652   58.600   15.455   27.798   2.4082   21.786   3.0909 6.012503 3.918349 
1 1 1   25    1   12 o   28.087   2.0791   94.830   13.692   82.900   19.347  106.800   19.379   25.918   3.2313   29.609   2.8051 -3.690632 4.278999 
1 1 1   25    1   13 o   17.772   1.7544   38.003   7.2665   41.000   10.271   35.000   10.281   18.315   2.4353   16.838   2.6753 1.477585 3.617750 
1 1 1   25    1   14 o   26.387   2.0171   83.744   12.473   84.700   17.693   82.800   17.588   26.287   2.8985   25.981   2.9172 0.3057022 4.112298 
1 1 1   25    1   15 o   23.903   1.9431   68.734   10.872   69.800   15.493   67.700   15.261   23.855   2.8039   23.487   2.8073 0.3674278 3.967777 
1 1 1   25    1   16 f   11.466   1.7222   16.015   4.5185   9.4000   6.4220   22.500   6.3588   8.8352   2.7681   13.563   2.0494 -4.727591 3.444144 
1 1 1   25    1   17 o   16.607   1.7437   33.254   6.7355   32.900   9.5790   33.600   9.4728   16.322   2.5703   16.515   2.5078 -0.1930218 3.591020 
1 1 1   25    1   18 o   24.230   1.9306   70.666   10.955   75.200   15.551   66.200   15.434   24.782   2.7012   23.176   2.8824 1.605581 3.950276 
1 1 1   25    1   19 o   30.519   2.1864  112.451   15.652  114.300   22.128  110.600   22.142   30.429   3.1240   29.902   3.1849 0.5266323 4.461277 
1 1 1   25    1   20 o   12.908   1.7140   20.225   5.0951   19.100   7.2895   21.300   7.1243   12.346   2.5834   13.098   2.3915 -0.7524433 3.520448 
1 1 1   25    1   21 o   39.660   2.4734  190.852   23.048  216.900   32.721  165.200   32.471   41.839   3.3398   36.195   3.8586 5.644440 5.103247 
1 1 1   25    1   22 o   33.696   1.9512  136.589   15.459  185.000   22.148   90.600   21.587   39.049   2.4138   26.847   3.4874 12.20161 4.241309 
1 1 1   25    1   23 o   14.137   1.6334   24.184   5.3523   36.900   7.6357   11.900   7.5046   17.444   1.8836   9.7983   2.9790 7.645652 3.524587 
1 1 1   25    1   24 o   25.042   1.7836   75.549   10.478   97.700   15.085   54.900   14.564   28.326   2.2744   20.910   3.0386 7.416164 3.795529 
1 1 1   25    1   25 o   11.870   2.3856   17.700   6.4547   0.0000   0.0000   17.700   6.4547  ?   ?    11.870   2.3856 0.000000 2.385631 
1 1 1   25    1   26 o   21.569   2.7582   58.100   13.726   0.0000   0.0000   58.100   13.726  ?   ?    21.569   2.7582 0.000000 2.758161 
1 1 1   25    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    1   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2    0 o   22.745   2.8413   64.400   14.616   64.400   14.616   64.400   14.616   22.745   2.8413   22.745   2.8413 0.000000 0.000000 
1 1 1   25    2    1 o   57.949   3.4244  408.375   46.651  419.800   66.047  397.000   65.903   57.909   4.8754   56.212   5.0177 1.697216 6.996201 
1 1 1   25    2    2 o   38.421   2.4883  177.475   22.454  187.300   31.794  167.700   31.715   39.148   3.4755   36.950   3.6839 2.198307 5.064618 
1 1 1   25    2    3 o   40.172   2.5800  194.244   24.344  177.000   34.422  211.500   34.434   37.873   3.9050   41.584   3.5404 -3.711285 5.271032 
1 1 1   25    2    4 o   13.279   1.6888   21.291   5.1757   22.900   7.3409   19.700   7.2983   13.649   2.3633   12.603   2.5401 1.045497 3.469499 
1 1 1   25    2    5 o   26.625   2.0317   85.013   12.677   80.900   17.957   89.100   17.900   25.731   3.0125   27.066   2.8431 -1.335835 4.142263 
1 1 1   25    2    6 o   16.635   1.7426   33.273   6.7436   30.400   9.5754   36.100   9.4990   15.698   2.6794   17.203   2.4041 -1.505179 3.599803 
1 1 1   25    2    7 o   9.8128   1.6315   11.747   3.6476   14.000   5.2220   9.6000   5.0973   10.640   2.1524   8.8079   2.3899 1.831845 3.216268 
1 1 1   25    2    8 f   20.006   1.7946   48.028   8.3878   55.300   11.880   40.800   11.844   21.353   2.3976   18.192   2.8508 3.161533 3.725002 
1 1 1   25    2    9 o   24.670   1.9739   73.057   11.403   70.700   16.149   75.400   16.102   24.037   2.9040   24.866   2.7905 -0.8286934 4.027412 
1 1 1   25    2   10 o   34.675   2.3413  144.738   19.058  148.900   26.993  140.600   26.913   34.840   3.3212   33.810   3.4179 1.030327 4.765743 
1 1 1   25    2   11 o   35.723   2.4027  153.815   20.150  165.600   28.478  142.000   28.515   36.741   3.3182   33.880   3.6203 2.861343 4.910954 
1 1 1   25    2   12 o   39.769   2.5719  191.153   24.023  212.900   33.970  169.400   33.976   41.585   3.4918   36.841   3.9681 4.743336 5.285639 
1 1 1   25    2   13 o   19.726   1.8566   46.833   8.5462   56.600   12.035   36.900   12.138   21.575   2.4032   17.179   3.1065 4.395996 3.927557 
1 1 1   25    2   14 o   52.040   3.1601  331.085   38.649  353.100   54.676  309.100   54.640   52.905   4.4170   49.228   4.7599 3.677319 6.493570 
1 1 1   25    2   15 o   36.449   2.4024  160.523   20.561  171.300   29.114  149.800   29.042   37.269   3.3438   34.719   3.5945 2.550415 4.909263 
1 1 1   25    2   16 o   35.860   2.3980  155.446   20.189  161.500   28.560  149.400   28.543   36.146   3.3856   34.685   3.5343 1.460529 4.894192 
1 1 1   25    2   17 o   24.005   1.9413   69.358   10.910   86.700   15.425   52.000   15.433   26.708   2.4739   20.365   3.3239 6.343409 4.143535 
1 1 1   25    2   18 o   17.450   1.7513   36.696   7.1187   35.600   10.051   37.800   10.084   16.983   2.5882   17.532   2.5070 -0.5493832 3.603363 
1 1 1   25    2   19 o   16.221   1.7256   31.750   6.5082   34.900   9.2040   28.600   9.2040   16.863   2.3774   15.159   2.6687 1.703582 3.574089 
1 1 1   25    2   20 o   28.723   2.1025   99.540   14.161  101.900   20.071   97.200   19.983   28.751   3.0005   28.048   3.0672 0.7036362 4.290720 
1 1 1   25    2   21 o   29.570   2.0944  105.511   14.530  136.900   20.577   74.300   20.519   33.508   2.6215   24.208   3.7075 9.299761 4.540659 
1 1 1   25    2   22 o   22.032   1.8642   58.530   9.6072   63.800   13.612   53.300   13.561   22.802   2.5730   20.729   2.8456 2.073597 3.836380 
1 1 1   25    2   23 o   6.7944   1.8857   5.7028   3.1323  -0.4000   4.6945   10.600   4.2052   5.0222   2.1682   9.2222   1.9895 -4.200007 2.942662 
1 1 1   25    2   24 o   18.791   1.7030   42.614   7.4746   54.200   10.634   31.300   10.509   21.081   2.1670   15.727   2.9377 5.354396 3.650502 
1 1 1   25    2   25 o   4.0703   1.6192   1.0424   2.3317  -8.6000   3.9499   6.2000   2.8888   3.0656   1.5127   7.0525   1.7443 -3.986984 2.308864 
1 1 1   25    2   26 o   9.0322   2.3702   10.300   5.1186   0.0000   0.0000   10.300   5.1186  ?   ?    9.0322   2.3702 0.000000 2.370152 
1 1 1   25    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    2   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3    0 o   33.140   3.3494  135.200   25.597  135.200   25.597  135.200   25.597   33.140   3.3494   33.140   3.3494 0.000000 0.000000 
1 1 1   25    3    1 o   34.054   2.2540  139.115   18.023  159.600   25.541  118.800   25.435   36.272   3.0092   31.095   3.5263 5.176550 4.635743 
1 1 1   25    3    2 o   44.183   2.7410  235.371   28.456  213.000   40.216  257.800   40.269   41.461   4.1639   45.843   3.7528 -4.381367 5.605519 
1 1 1   25    3    3 o   40.513   2.6011  197.651   24.752  197.900   34.947  197.400   35.064   40.130   3.7306   40.071   3.7493 0.5917358E-01 5.289060 
1 1 1   25    3    4 f   32.825   2.2133  129.275   17.055  113.800   24.062  144.900   24.179   30.451   3.4046   34.540   2.9941 -4.089432 4.533851 
1 1 1   25    3    5 o   39.529   2.5509  188.188   23.684  186.100   33.398  190.300   33.591   38.901   3.6794   39.351   3.6569 -0.4493599 5.187561 
1 1 1   25    3    6 o   37.786   2.4796  171.906   22.001  166.900   31.134  176.900   31.096   36.827   3.6272   37.972   3.5076 -1.145081 5.045783 
1 1 1   25    3    7 o   3.6590   1.3700   1.1801   1.5970   0.2000   2.3663   2.0000   2.1643   3.7475   1.5756   4.4751   1.6080 -0.7275989 2.251279 
1 1 1   25    3    8 o   30.188   2.1514  109.445   15.236  113.900   21.559  105.000   21.534   30.552   3.0282   29.278   3.1651 1.273315 4.380343 
1 1 1   25    3    9 o   13.318   1.5768   21.369   4.8624   16.900   6.7467   26.200   7.0141   11.647   2.5259   14.670   2.0833 -3.023362 3.274207 
1 1 1   25    3   10 o   13.204   1.6659   21.066   5.0786   22.900   7.2506   19.300   7.1157   13.640   2.3351   12.463   2.5048 1.177108 3.424416 
1 1 1   25    3   11 o   58.999   3.5155  426.998   48.755  460.300   68.952  393.700   68.948   60.233   4.8901   55.311   5.3455 4.921661 7.244854 
1 1 1   25    3   12 o   42.343   2.7093  217.173   26.947  227.200   38.065  207.100   38.154   42.799   3.8061   40.737   4.0187 2.062111 5.535038 
1 1 1   25    3   13 o   36.454   2.4170  160.438   20.688  175.500   29.269  145.400   29.245   37.778   3.3145   34.202   3.6790 3.576420 4.951816 
1 1 1   25    3   14 o   17.140   1.7282   35.367   6.8994   31.700   9.7136   39.100   9.8015   16.004   2.6640   17.887   2.3796 -1.883070 3.572047 
1 1 1   25    3   15 o   18.636   1.7780   41.803   7.7294   42.400   10.907   41.200   10.955   18.587   2.5525   18.302   2.6088 0.2848759 3.649820 
1 1 1   25    3   16 f   79.514   4.6246  803.126   86.457  900.500  122.346  706.000  122.191   81.659   6.3960   70.775   7.4218 10.88435 9.797523 
1 1 1   25    3   17 f   19.068   1.7230   43.718   7.6743   54.700   10.920   33.000   10.788   21.235   2.2101   16.251   2.9184 4.983561 3.660809 
1 1 1   25    3   18 o   6.7555   1.7497   5.6503   2.8133   5.6000   3.9913   5.7000   3.9662   6.8829   2.1856   6.9238   2.1763 -0.4095268E-01 3.084329 
1 1 1   25    3   19 o   14.905   1.6930   26.837   5.8530   30.800   8.3454   23.000   8.2109   15.843   2.2978   13.562   2.6590 2.281598 3.514286 
1 1 1   25    3   20 o   14.565   1.7029   25.655   5.7462   27.200   8.1139   24.100   8.1388   14.841   2.3971   13.906   2.5733 0.9345112 3.516773 
1 1 1   25    3   21 o   33.293   2.3103  134.215   18.050  141.700   25.501  126.700   25.553   33.820   3.2325   31.861   3.4516 1.959482 4.728964 
1 1 1   25    3   22 o   17.805   1.6745   38.190   6.9573   47.700   9.9806   29.200   9.7036   19.794   2.1709   15.260   2.7959 4.533927 3.539767 
1 1 1   25    3   23 o   37.256   2.5195  169.307   22.035  218.900   31.144  119.600   31.180   42.010   3.1627   30.224   4.5066 11.78612 5.505697 
1 1 1   25    3   24 o   7.6513   1.6711   7.2729   2.9347   10.200   4.3859   4.9000   3.9489   9.0223   2.0983   6.5353   2.1812 2.487025 3.026638 
1 1 1   25    3   25 o   23.641   1.6554   67.268   9.1828   97.300   14.002   44.600   12.164   28.299   2.1105   18.859   2.8180 9.439659 3.520663 
1 1 1   25    3   26 o   10.241   2.4532   13.300   5.8543   0.0000   0.0000   13.300   5.8543  ?   ?    10.241   2.4532 0.000000 2.453195 
1 1 1   25    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    3   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4    0 o   10.090   2.8221   14.600   5.8188   14.600   5.8188   14.600   5.8188   10.090   2.8221   10.090   2.8221 0.000000 0.000000 
1 1 1   25    4    1 o   19.161   1.7887   44.048   7.9998   43.100   11.299   45.000   11.328   18.783   2.6187   19.213   2.5607 -0.4304466 3.662570 
1 1 1   25    4    2 o   53.842   3.1512  351.469   39.890  321.800   56.289  381.400   56.537   50.671   4.7602   55.451   4.3527 -4.780567 6.450235 
1 1 1   25    4    3 f   32.847   2.2581  129.536   17.408  122.900   24.592  136.200   24.646   31.680   3.3376   33.426   3.1599 -1.746447 4.596194 
1 1 1   25    4    4 o   37.780   2.4716  171.749   21.928  175.700   31.014  167.800   31.008   37.861   3.5088   36.958   3.5988 0.9030685 5.026244 
1 1 1   25    4    5 o   4.4173   1.4723   2.1847   1.7993   2.0000   2.4526   2.4000   2.6478   4.6236   1.7043   4.9230   1.7774 -0.2993574 2.462443 
1 1 1   25    4    6 o   22.188   1.8822   59.063   9.7688   57.600   13.878   60.500   13.753   21.710   2.7702   22.285   2.6666 -0.5745277 3.845080 
1 1 1   25    4    7 o   13.596   1.6679   22.305   5.2425   23.500   7.3972   21.100   7.4310   13.825   2.3501   13.052   2.5021 0.7724142 3.432704 
1 1 1   25    4    8 o   18.487   1.7695   41.054   7.6304   36.900   10.796   45.200   10.786   17.309   2.7320   19.271   2.4240 -1.962261 3.652310 
1 1 1   25    4    9 o   44.766   2.8324  242.694   29.787  258.200   42.066  227.100   42.185   45.657   3.9404   42.640   4.2461 3.017345 5.792718 
1 1 1   25    4   10 o   55.429   3.3334  375.343   43.427  362.700   61.399  388.000   61.433   53.448   4.9200   55.430   4.7390 -1.982071 6.831122 
1 1 1   25    4   11 o   54.371   3.2732  361.143   41.828  354.800   59.120  367.500   59.188   52.901   4.7844   53.912   4.6962 -1.010872 6.704122 
1 1 1   25    4   12 o   49.828   3.0441  302.432   35.645  296.400   50.334  308.500   50.486   48.500   4.4444   49.544   4.3598 -1.044533 6.225782 
1 1 1   25    4   13 o   5.4235   1.6266   3.5350   2.2487   5.5000   3.2359   1.7000   3.1270   6.7122   1.9352   4.8427   1.8908 1.869525 2.705588 
1 1 1   25    4   14 o   20.592   1.8138   50.980   8.7298   47.500   12.311   54.500   12.381   19.648   2.7270   21.124   2.5325 -1.476152 3.721579 
1 1 1   25    4   15 o   31.644   2.2200  120.747   16.484  131.700   23.315  109.800   23.308   32.762   3.0487   29.762   3.3763 3.000301 4.549078 
1 1 1   25    4   16 o   24.914   1.9924   74.735   11.623   81.500   16.396   67.900   16.480   25.812   2.7314   23.433   3.0506 2.379313 4.094757 
1 1 1   25    4   17 o   41.399   2.5543  207.708   24.849  256.400   35.193  159.300   35.090   45.639   3.2875   35.404   4.2846 10.23544 5.400489 
1 1 1   25    4   18 o   22.214   1.8355   59.359   9.5417   71.700   13.544   47.200   13.444   24.282   2.3933   19.468   3.0224 4.813698 3.855235 
1 1 1   25    4   19 o   12.055   1.6803   17.660   4.6531   15.600   6.5187   19.800   6.6440   11.150   2.5334   12.639   2.3114 -1.488678 3.429361 
1 1 1   25    4   20 o   31.403   2.2249  119.206   16.392  121.400   23.148  117.000   23.216   31.324   3.1733   30.711   3.2506 0.6122513 4.542745 
1 1 1   25    4   21 o   24.459   2.0546   72.287   11.757   84.100   16.498   60.100   16.758   26.186   2.7072   21.864   3.3527 4.321526 4.309250 
1 1 1   25    4   22 o   8.0465   1.7037   8.0247   3.1364   10.700   4.5487   5.6000   4.3304   9.2522   2.1265   6.9457   2.2825 2.306489 3.119651 
1 1 1   25    4   23 o   41.942   2.6183  215.027   25.803  253.300   36.574  177.100   36.408   44.971   3.4709   37.042   4.2386 7.929012 5.478434 
1 1 1   25    4   24 o   25.904   1.8704   80.995   11.364   99.100   16.282   63.800   15.868   28.456   2.4469   22.553   3.0584 5.903708 3.916815 
1 1 1   25    4   25 o   14.644   1.4606   25.859   4.9835   38.800   7.5358   15.800   6.6437   17.883   1.8094   11.158   2.5740 6.725264 3.146324 
1 1 1   25    4   26 o   8.9045   2.4138  10.0000   5.2026   0.0000   0.0000  10.0000   5.2026  ?   ?    8.9045   2.4138 0.000000 2.413784 
1 1 1   25    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    4   41 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5    0 o   26.408   2.9931   86.300   18.046   86.300   18.046   86.300   18.046   26.408   2.9931   26.408   2.9931 0.000000 0.000000 
1 1 1   25    5    1 o   52.490   3.1536  334.234   38.907  349.900   55.052  318.600   54.995   53.031   4.4370   50.452   4.6691 2.579227 6.441128 
1 1 1   25    5    2 o   53.152   3.1083  342.492   38.842  382.900   55.005  302.300   54.857   55.613   4.2200   49.047   4.7980 6.565762 6.389750 
1 1 1   25    5    3 o   11.226   1.6629   15.300   4.2749   12.300   6.0456   18.300   6.0456   9.9405   2.5600   12.201   2.1783 -2.260238 3.361377 
1 1 1   25    5    4 o   43.406   2.7392  227.508   27.933  229.500   39.429  225.500   39.577   43.106   3.9164   42.700   3.9706 0.4059868 5.577068 
1 1 1   25    5    5 o   24.279   1.9464   70.709   11.065   72.600   15.611   68.800   15.687   24.416   2.7560   23.734   2.8563 0.6819401 3.969182 
1 1 1   25    5    6 o   47.723   2.9529  275.969   33.113  292.800   46.803  259.100   46.855   48.589   4.1180   45.526   4.4139 3.062302 6.036601 
1 1 1   25    5    7 o   37.715   2.4934  171.423   22.081  176.800   31.161  166.000   31.292   37.931   3.5191   36.686   3.6611 1.245140 5.078189 
1 1 1   25    5    8 o   43.674   2.7532  230.656   28.249  238.600   39.936  222.700   39.964   43.916   3.8913   42.339   4.0466 1.576859 5.614031 
1 1 1   25    5    9 o   35.140   2.3674  148.702   19.530  150.500   27.601  146.900   27.638   35.002   3.3815   34.557   3.4323 0.4450722 4.818209 
1 1 1   25    5   10 o   49.822   3.0543  301.938   35.760  306.000   50.649  297.900   50.496   49.402   4.3874   48.707   4.4391 0.6954498 6.241436 
1 1 1   25    5   11 o   38.288   2.4945  176.985   22.430  172.900   31.662  181.100   31.779   37.387   3.6323   38.307   3.5537 -0.9202156 5.081536 
1 1 1   25    5   12 o   25.755   2.0028   79.750   12.085   79.900   17.078   79.600   17.103   25.537   2.8825   25.485   2.8932 0.5196190E-01 4.084064 
1 1 1   25    5   13 o   36.040   2.4111  156.850   20.401  153.400   28.851  160.300   28.851   35.205   3.5177   36.033   3.4323 -0.8285255 4.914744 
1 1 1   25    5   14 o   28.282   2.0941   96.300   13.886   95.800   19.630   96.800   19.645   27.919   3.0260   28.072   3.0106 -0.1525707 4.268551 
1 1 1   25    5   15 o   26.387   2.0131   83.793   12.449   82.700   17.553   84.900   17.658   25.949   2.9152   26.304   2.8905 -0.3550282 4.105284 
1 1 1   25    5   16 o   33.345   2.2867  134.230   17.896  159.500   25.320  109.000   25.299   36.088   2.9984   29.494   3.7150 6.594116 4.774016 
1 1 1   25    5   17 o   24.328   1.9546   71.254   11.134   79.600   15.741   62.900   15.750   25.525   2.6503   22.536   3.0369 2.988503 4.030746 
1 1 1   25    5   18 o   24.507   1.9193   72.285   11.018   87.900   15.615   56.800   15.549   26.876   2.4886   21.335   3.1838 5.540848 4.040998 
1 1 1   25    5   19 f   15.592   1.7110   29.350   6.1958   35.200   8.7622   23.500   8.7622   16.970   2.2414   13.675   2.8074 3.294997 3.592415 
1 1 1   25    5   20 o   30.137   2.1406  109.661   15.134  123.500   21.434   95.900   21.373   31.712   2.8942   27.737   3.3297 3.974581 4.411687 
1 1 1   25    5   21 o   19.667   1.8166   46.644   8.3410   48.300   11.817   45.000   11.775   19.809   2.5882   19.080   2.6880 0.7298737 3.731479 
1 1 1   25    5   22 o   26.087   1.9425   82.085   11.880  105.200   16.844   59.200   16.759   29.378   2.4504   21.642   3.3908 7.736105 4.183474 
1 1 1   25    5   23 f   27.434   2.0376   91.064   13.106  110.800   18.551   71.400   18.517   30.039   2.6422   23.754   3.3981 6.285341 4.304418 
1 1 1   25    5   24 o   13.094   1.6781   20.849   5.0691   29.300   7.1906   12.500   7.1470   15.474   2.0158   9.9619   2.8772 5.511872 3.513054 
1 1 1   25    5   25 o   20.179   1.5090   48.940   7.1382   76.900   10.969   28.400   9.4013   25.219   1.8550   14.988   2.7579 10.23033 3.323703 
1 1 1   25    5   26 o   21.719   2.7757   59.000   13.910   0.0000   0.0000   59.000   13.910  ?   ?    21.719   2.7757 0.000000 2.775724 
1 1 1   25    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    5   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6    0 o   65.929   5.6361  544.000   86.269  544.000   86.269  544.000   86.269   65.929   5.6361   65.929   5.6361 0.000000 0.000000 
1 1 1   25    6    1 o   30.592   2.1738  112.340   15.601  113.800   22.139  110.900   21.987   30.531   3.1145   30.129   3.1365 0.4022274 4.420090 
1 1 1   25    6    2 o   83.157   4.8135  866.468   94.116  922.100  133.138  810.900  133.062   83.439   6.8169   77.546   7.3545 5.892189 10.02790 
1 1 1   25    6    3 o   19.385   1.7907   45.100   8.1042   40.500   11.461   49.700   11.461   18.152   2.7608   20.223   2.4501 -2.070473 3.691209 
1 1 1   25    6    4 o   14.476   1.6890   25.252   5.6648   24.600   8.0231   25.900   7.9994   14.122   2.4973   14.517   2.4187 -0.3946552 3.476548 
1 1 1   25    6    5 o  ?   ?   -3.3875   0.4387  -4.2000   0.4595   5.0000   1.4762  ?   ?    6.4225   1.0064 0.000000 1.006412 
1 1 1   25    6    6 o   58.479   3.3711  417.164   46.354  382.700   65.379  452.000   65.732   54.884   5.1031   60.010   4.6755 -5.126007 6.921144 
1 1 1   25    6    7 o   47.936   2.9354  278.531   33.067  270.100   46.710  287.000   46.817   46.522   4.3006   48.042   4.1682 -1.520195 5.989070 
1 1 1   25    6    8 o   25.154   1.9864   75.969   11.703   80.500   16.516   71.400   16.585   25.703   2.7646   24.131   2.9735 1.572586 4.060107 
1 1 1   25    6    9 o   20.658   1.8293   51.250   8.8312   53.900   12.489   48.600   12.489   21.024   2.5692   19.907   2.7286 1.116631 3.747812 
1 1 1   25    6   10 o   36.835   2.4678  163.738   21.341  169.800   30.088  157.600   30.274   37.129   3.4720   35.686   3.6438 1.443886 5.033070 
1 1 1   25    6   11 o   31.189   2.2180  117.120   16.228  134.000   22.937  100.200   22.964   33.129   2.9632   28.421   3.4953 4.707928 4.582357 
1 1 1   25    6   12 o   38.144   2.5030  175.851   22.420  176.500   31.692  175.200   31.722   37.757   3.5981   37.608   3.6167 0.1490402 5.101615 
1 1 1   25    6   13 o   20.492   1.8321   50.500   8.7719   47.100   12.405   53.900   12.405   19.556   2.7634   21.002   2.5540 -1.446424 3.762878 
1 1 1   25    6   14 o   17.779   1.7760   38.075   7.3563   43.900   10.382   32.200   10.425   18.967   2.3697   16.076   2.8506 2.890350 3.706966 
1 1 1   25    6   15 o   14.216   1.7049   24.431   5.6091   27.800   7.8969   21.000   7.9686   15.048   2.2949   12.950   2.6935 2.097921 3.538636 
1 1 1   25    6   16 o   24.769   1.9544   73.828   11.338   82.300   16.055   65.400   16.014   25.961   2.6563   22.996   3.0222 2.964386 4.023598 
1 1 1   25    6   17 o   1.4387   0.6997  -1.3428   0.7561  -1.1000   1.2062  -1.5000   0.9704   2.1324   0.9914   1.6955   0.8168 0.4369426 1.284536 
1 1 1   25    6   18 f   20.911   1.8678   52.685   9.1259   63.900   12.886   41.400   12.926   22.901   2.4196   18.173   3.1247 4.727478 3.951955 
1 1 1   25    6   19 o  ?   ?   -2.0498   0.4827  -3.7000   0.7740  -1.0000   0.6174  ?   ?    1.3355   0.6454 0.000000 0.6453630 
1 1 1   25    6   20 o   35.922   2.3622  156.283   19.926  180.300   28.219  132.400   28.140   38.231   3.1539   32.437   3.7425 5.793903 4.894281 
1 1 1   25    6   21 o   32.807   2.3225  130.464   17.876  154.700   25.247  106.100   25.313   35.419   3.0484   28.940   3.7957 6.478888 4.868247 
1 1 1   25    6   22 o   56.163   3.2148  390.447   42.457  468.300   60.161  313.200   59.927   60.519   4.2366   48.379   5.3343 12.13948 6.812009 
1 1 1   25    6   23 o   14.288   1.6625   24.739   5.5045   30.600   7.8606   19.100   7.7106   15.785   2.1659   12.275   2.7306 3.510303 3.485341 
1 1 1   25    6   24 o   21.200   1.7768   54.286   8.8129   69.500   12.510   39.300   12.417   23.856   2.2473   17.590   3.1029 6.266655 3.831185 
1 1 1   25    6   25 o   9.3367   2.2871   11.000   5.0026   0.0000   0.0000   11.000   5.0026  ?   ?    9.3367   2.2871 0.000000 2.287119 
1 1 1   25    6   26 o   29.533   3.1835  110.200   21.850   0.0000   0.0000  110.200   21.850  ?   ?    29.533   3.1835 0.000000 3.183494 
1 1 1   25    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    6   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7    0 o   52.324   4.6166  339.200   56.019  339.200   56.019  339.200   56.019   52.324   4.6166   52.324   4.6166 0.000000 0.000000 
1 1 1   25    7    1 f   38.980   2.5259  183.045   23.125  176.100   32.692  190.000   32.714   37.799   3.7105   39.339   3.5603 -1.539288 5.142316 
1 1 1   25    7    2 o   67.112   3.9388  554.604   62.147  570.100   87.878  539.100   87.900   66.644   5.6370   64.626   5.8225 2.018013 8.104117 
1 1 1   25    7    3 o   10.690   1.6629   13.905   4.0613   11.800   5.7509   16.000   5.7363   9.7355   2.4913   11.380   2.2143 -1.644788 3.333105 
1 1 1   25    7    4 o   38.200   2.4951  175.803   22.383  178.000   31.636  173.600   31.673   38.051   3.5623   37.552   3.6165 0.4991684 5.076293 
1 1 1   25    7    5 o   32.990   2.2783  130.860   17.640  137.900   24.928  123.800   24.964   33.591   3.1807   31.741   3.3828 1.849630 4.643256 
1 1 1   25    7    6 o   19.950   1.7705   47.747   8.2537   53.600   11.726   42.000   11.620   21.014   2.4064   18.487   2.7452 2.527012 3.650606 
1 1 1   25    7    7 o   12.025   1.7277   17.556   4.7651   11.200   6.7967   23.700   6.6825   9.5549   2.8191   13.935   2.0957 -4.380104 3.512758 
1 1 1   25    7    8 o   82.796   4.9517  867.526   96.368  992.300  136.216  742.500  136.354   86.163   6.7489   72.709   8.0784 13.45364 10.52654 
1 1 1   25    7    9 o   23.668   1.9038   67.251   10.550   56.900   14.885   77.700   14.956   21.479   3.0180   25.299   2.5377 -3.820192 3.943135 
1 1 1   25    7   10 o   31.469   2.2281  119.217   16.450  124.600   23.226  113.800   23.301   31.885   3.1249   30.395   3.2994 1.489922 4.544357 
1 1 1   25    7   11 o   69.393   4.1066  600.008   66.992  605.400   94.673  594.600   94.808   67.773   5.9769   67.077   6.0508 0.6957321 8.505017 
1 1 1   25    7   12 o   44.085   2.7958  236.026   28.954  247.200   40.899  224.800   40.995   44.531   3.9297   42.321   4.1558 2.210400 5.719547 
1 1 1   25    7   13 o   36.261   2.4334  158.918   20.715  175.300   29.280  142.500   29.312   37.727   3.3205   33.801   3.7348 3.926537 4.997430 
1 1 1   25    7   14 o   8.5298   1.7450   8.9881   3.3962   6.3000   4.7924   11.700   4.8137   7.3586   2.4004   9.6942   2.1583 -2.335529 3.228020 
1 1 1   25    7   15 o   28.088   2.0329   94.931   13.392  115.900   18.970   74.100   18.908   30.866   2.6278   24.380   3.3749 6.485989 4.277316 
1 1 1   25    7   16 o   25.608   2.0094   78.974   12.053   87.200   17.021   70.700   17.071   26.701   2.7383   23.896   3.0983 2.805504 4.134968 
1 1 1   25    7   17 o   10.042   1.7124   12.358   3.9149   14.100   5.4496   10.500   5.6277   10.640   2.2399   9.1800   2.5197 1.459614 3.371349 
1 1 1   25    7   18 o   39.586   2.5371  190.092   23.591  219.100   33.396  161.200   33.330   42.084   3.3893   35.725   4.0209 6.359196 5.258797 
1 1 1   25    7   19 o   21.151   1.8438   53.890   9.1165   51.500   12.866   56.300   12.920   20.431   2.7355   21.416   2.6087 -0.9847260 3.779973 
1 1 1   25    7   20 o   29.549   2.0919  105.345   14.502  133.500   20.548   77.400   20.471   33.077   2.6530   24.765   3.6065 8.312140 4.477182 
1 1 1   25    7   21 o   36.507   2.4524  161.965   21.018  167.500   29.685  156.400   29.763   36.615   3.4749   35.288   3.6232 1.326889 5.020216 
1 1 1   25    7   22 o   43.639   2.6375  232.665   27.051  284.200   38.363  181.700   38.150   47.708   3.4282   37.438   4.3992 10.26936 5.577240 
1 1 1   25    7   23 o   34.839   2.2418  147.368   18.345  175.500   26.052  119.700   25.836   37.662   2.9531   30.697   3.6348 6.965012 4.683220 
1 1 1   25    7   24 o   31.716   1.6865  120.869   12.585  182.100   18.574   68.900   17.112   38.801   2.0343   23.361   3.1851 15.44060 3.779309 
1 1 1   25    7   25 o   28.512   3.1058  102.200   20.573   0.0000   0.0000  102.200   20.573  ?   ?    28.512   3.1058 0.000000 3.105818 
1 1 1   25    7   26 o   14.005   2.5187   24.700   8.0234   0.0000   0.0000   24.700   8.0234  ?   ?    14.005   2.5187 0.000000 2.518717 
1 1 1   25    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    7   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8    0 o   8.7164   2.9055   11.600   5.3283   11.600   5.3283   11.600   5.3283   8.7164   2.9055   8.7164   2.9055 0.000000 0.000000 
1 1 1   25    8    1 o   41.197   2.6102  204.725   25.261  218.700   35.757  190.800   35.691   42.180   3.6252   39.255   3.9021 2.924797 5.326190 
1 1 1   25    8    2 f   28.295   2.0715   96.086   13.745  102.200   19.461   90.000   19.415   28.973   2.8828   27.110   3.0880 1.862787 4.224473 
1 1 1   25    8    3 o   17.902   1.7599   38.507   7.3437   46.100   10.380   30.900   10.391   19.495   2.2991   15.770   2.8970 3.724895 3.698448 
1 1 1   25    8    4 o   27.323   2.0085   89.555   12.868  102.100   18.232   77.100   18.166   29.011   2.6920   25.048   3.1403 3.963289 4.136197 
1 1 1   25    8    5 o   33.980   2.3122  138.900   18.442  144.500   26.081  133.300   26.081   34.356   3.2536   32.932   3.4030 1.424805 4.708060 
1 1 1   25    8    6 o   18.105   1.7150   39.357   7.2449   47.800   10.272   31.000   10.220   19.866   2.2281   15.802   2.8434 4.063896 3.612381 
1 1 1   25    8    7 o   28.850   2.1092  100.005   14.269  104.900   20.170   95.100   20.189   29.313   2.9543   27.842   3.1248 1.471004 4.300259 
1 1 1   25    8    8 o   15.519   1.7362   29.028   6.2532   28.000   8.9720   30.000   8.7203   15.046   2.6205   15.629   2.4427 -0.5833759 3.582422 
1 1 1   25    8    9 o   19.046   1.8880   43.693   8.3792   56.900   11.787   30.200   11.914   21.657   2.3422   15.456   3.3601 6.200900 4.095845 
1 1 1   25    8   10 o   29.266   2.1251  103.047   14.586  102.300   20.583  103.800   20.672   28.873   3.0659   29.090   3.0551 -0.2170334 4.328237 
1 1 1   25    8   11 o   22.065   1.8435   58.487   9.5175   71.800   13.492   45.300   13.428   24.336   2.3782   19.084   3.0849 5.251122 3.895216 
1 1 1   25    8   12 o   53.798   3.2543  354.532   41.147  386.100   58.207  323.000   58.174   55.262   4.4996   50.151   4.9781 5.110943 6.710316 
1 1 1   25    8   13 o   35.905   2.4165  155.813   20.369  162.800   28.779  148.800   28.832   36.304   3.3965   34.611   3.5794 1.692669 4.934446 
1 1 1   25    8   14 o   10.695   1.7278   13.977   4.2148   16.400   5.9891   11.600   5.9325   11.491   2.2877   9.6363   2.5627 1.854277 3.435251 
1 1 1   25    8   15 o   24.212   1.9635   70.572   11.129   78.800   15.718   62.300   15.761   25.398   2.6602   22.427   3.0555 2.970804 4.051301 
1 1 1   25    8   16 o   31.092   2.2095  116.656   16.117  126.500   22.786  106.800   22.800   32.083   3.0441   29.334   3.3517 2.749317 4.527717 
1 1 1   25    8   17 o   29.891   2.1618  107.805   15.156  123.500   21.430   92.100   21.437   31.745   2.8904   27.175   3.4162 4.570431 4.474924 
1 1 1   25    8   18 o   26.857   2.0488   86.961   12.895  100.200   18.229   73.700   18.244   28.620   2.7304   24.321   3.2586 4.299118 4.251358 
1 1 1   25    8   19 o   29.086   2.1559  102.191   14.701  115.000   20.758   89.300   20.824   30.591   2.9086   26.741   3.3729 3.850517 4.453780 
1 1 1   25    8   20 o   11.094   1.6805   15.014   4.2646   18.800   6.1020   11.400   5.9626   12.331   2.1751   9.5409   2.5832 2.790126 3.376964 
1 1 1   25    8   21 o   10.382   1.6799   13.197   3.9778   14.500   5.7498   12.000   5.5088   10.759   2.3305   9.7719   2.4039 0.9873476 3.348135 
1 1 1   25    8   22 o   28.276   2.0626   96.753   13.677  109.100   19.379   84.500   19.305   29.745   2.7917   25.964   3.2176 3.781279 4.259849 
1 1 1   25    8   23 o   21.893   1.7951   57.861   9.1986   72.900   13.092   43.200   12.927   24.431   2.2963   18.489   3.0684 5.942226 3.832483 
1 1 1   25    8   24 o   41.575   2.2250  210.112   21.765  278.100   31.900  150.900   29.770   47.413   2.8627   34.318   3.7339 13.09534 4.704989 
1 1 1   25    8   25 o   26.776   3.0189   90.000   18.755   0.0000   0.0000   90.000   18.755  ?   ?    26.776   3.0189 0.000000 3.018898 
1 1 1   25    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    8   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9    0 o   24.490   2.9101   74.500   16.203   74.500   16.203   74.500   16.203   24.490   2.9101   24.490   2.9101 0.000000 0.000000 
1 1 1   25    9    1 o   33.500   2.2900  134.951   18.007  131.300   25.468  138.600   25.463   32.709   3.3444   33.651   3.2446 -0.9420738 4.659661 
1 1 1   25    9    2 o   23.427   1.9105   65.853   10.477   68.800   14.809   62.900   14.824   23.769   2.6856   22.675   2.8301 1.093380 3.901532 
1 1 1   25    9    3 o   67.367   3.9144  559.698   62.001  500.300   87.644  619.200   87.721   61.864   6.0781   69.581   5.3807 -7.716801 8.117628 
1 1 1   25    9    4 o   38.803   2.4713  181.441   22.526  202.100   31.902  160.900   31.811   40.624   3.3556   36.035   3.7955 4.589256 5.066153 
1 1 1   25    9    5 o   31.089   2.1996  116.203   16.044  114.800   22.713  117.600   22.666   30.601   3.1901   30.993   3.1404 -0.3917103 4.476499 
1 1 1   25    9    6 o   11.463   1.6756   15.959   4.4015   15.000   6.2540   16.900   6.1958   10.966   2.4741   11.676   2.3289 -0.7101450 3.397754 
1 1 1   25    9    7 o   37.292   2.4575  167.749   21.520  168.500   30.447  167.000   30.419   36.966   3.5310   36.794   3.5450 0.1719551 5.003466 
1 1 1   25    9    8 o   36.079   2.3884  156.936   20.233  163.000   28.768  151.000   28.463   36.401   3.3857   34.980   3.4925 1.421230 4.864183 
1 1 1   25    9    9 o   37.524   2.4738  170.052   21.797  174.100   30.817  166.000   30.834   37.549   3.5165   36.614   3.6135 0.9349976 5.042125 
1 1 1   25    9   10 o   7.0760   1.7134   6.2028   2.8325   5.7000   4.0170   6.7000   3.9946   6.9413   2.1913   7.4060   2.1545 -0.4647350 3.073066 
1 1 1   25    9   11 o   20.315   1.8222   49.624   8.6482   57.200   12.251   42.100   12.210   21.678   2.4355   18.432   2.9011 3.245758 3.787920 
1 1 1   25    9   12 o   41.711   2.6921  211.134   26.374  218.200   37.211  204.000   37.388   41.852   3.8069   40.364   3.9741 1.488182 5.503234 
1 1 1   25    9   13 o   25.639   2.0274   79.147   12.174   92.900   17.187   65.300   17.246   27.604   2.6701   22.902   3.2829 4.701996 4.231702 
1 1 1   25    9   14 o   5.9999   1.7431   4.3792   2.6164   3.1000   3.5501   5.9000   3.8710   5.6320   2.0543   7.0035   2.1417 -1.371462 2.967654 
1 1 1   25    9   15 o   9.5141   1.6731   11.100   3.6215   7.3000   5.0574   15.100   5.1883   7.8171   2.4576   11.056   2.0632 -3.239043 3.208834 
1 1 1   25    9   16 o   24.144   1.9503   70.200   11.025   85.200   15.591   55.200   15.591   26.449   2.5271   21.011   3.2471 5.438099 4.114544 
1 1 1   25    9   17 o   15.987   1.7329   30.851   6.4371   30.100   9.1096   31.600   9.0973   15.592   2.5633   16.005   2.4879 -0.4127150 3.572141 
1 1 1   25    9   18 o   21.685   1.8700   56.654   9.4819   62.000   13.405   51.300   13.414   22.502   2.5688   20.349   2.8713 2.152699 3.852674 
1 1 1   25    9   19 o   15.687   1.6797   29.694   6.1252   34.100   8.7188   25.400   8.6069   16.685   2.2720   14.262   2.6533 2.423023 3.493117 
1 1 1   25    9   20 o   8.2362   1.7038   8.3967   3.2043   11.400   4.5730   5.5000   4.4912   9.5620   2.0842   6.9433   2.3261 2.618796 3.123223 
1 1 1   25    9   21 o   6.5803   1.6964   5.3716   2.6527   9.3000   3.8440   1.8000   3.6653   8.6384   1.9328   5.1519   2.0362 3.486505 2.807437 
1 1 1   25    9   22 o   22.350   1.8543   60.338   9.6980   68.000   13.772   52.800   13.659   23.523   2.5184   20.563   2.8930 2.959488 3.835614 
1 1 1   25    9   23 o   17.428   1.6424   36.667   6.6797   50.900   9.5086   22.800   9.3855   20.464   1.9930   13.335   3.0471 7.128965 3.641002 
1 1 1   25    9   24 o   10.757   2.3654   14.600   5.8450   0.0000   0.0000   14.600   5.8450  ?   ?    10.757   2.3654 0.000000 2.365448 
1 1 1   25    9   25 o   17.947   2.6286   40.300   10.810   0.0000   0.0000   40.300   10.810  ?   ?    17.947   2.6286 0.000000 2.628635 
1 1 1   25    9   26 o   35.508   3.6239  162.800   29.960   0.0000   0.0000  162.800   29.960  ?   ?    35.508   3.6239 0.000000 3.623909 
1 1 1   25    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25    9   40 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10    0 o   16.434   2.7361   34.700   9.7331   34.700   9.7331   34.700   9.7331   16.434   2.7361   16.434   2.7361 0.000000 0.000000 
1 1 1   25   10    1 f   36.562   2.4222  161.048   20.794  162.500   29.427  159.600   29.388   36.352   3.4703   36.011   3.5002 0.3406792 4.928895 
1 1 1   25   10    2 o   28.462   2.0870   97.298   13.929   98.500   19.710   96.100   19.686   28.391   2.9847   28.028   3.0223 0.3635902 4.247655 
1 1 1   25   10    3 o   8.5833   1.6693   9.0618   3.2616   9.6000   4.5638   8.5000   4.6630   8.7881   2.2033   8.2993   2.2998 0.4887962 3.184950 
1 1 1   25   10    4 o   42.125   2.6068  214.306   25.804  242.800   36.552  186.000   36.432   44.456   3.5105   38.622   4.0553 5.834839 5.363620 
1 1 1   25   10    5 o   13.036   1.6778   20.550   5.0445   20.400   7.1340   20.700   7.1340   12.831   2.4438   12.931   2.4254 -0.9989357E-01 3.443087 
1 1 1   25   10    6 o   20.723   1.8218   51.580   8.8247   54.700   12.522   48.500   12.439   21.179   2.5554   19.882   2.7209 1.297110 3.732754 
1 1 1   25   10    7 o   15.913   1.7005   30.489   6.2908   28.200   8.8757   32.800   8.9174   15.105   2.5810   16.368   2.3766 -1.262824 3.508581 
1 1 1   25   10    8 o   3.1212   1.2746   0.4086   1.4872  -1.2000   2.5898   1.2000   1.8165   3.4362   1.5409   3.8177   1.4540 -0.3815718 2.118608 
1 1 1   25   10    9 o   37.722   2.4740  171.893   21.915  190.700   30.999  153.100   30.987   39.372   3.3666   35.051   3.8050 4.320801 5.080561 
1 1 1   25   10   10 o   14.263   1.6735   24.557   5.5292   29.900   7.8517   19.300   7.7877   15.651   2.1840   12.407   2.7321 3.244558 3.497744 
1 1 1   25   10   11 o   42.908   2.7049  223.401   27.266  229.300   38.724  217.600   38.398   42.882   3.8658   41.721   3.9443 1.160686 5.522869 
1 1 1   25   10   12 o   25.182   1.9620   76.267   11.575   81.400   16.422   71.200   16.317   25.805   2.7369   24.054   2.9334 1.750874 4.011914 
1 1 1   25   10   13 o   5.7085   1.7099   3.9250   2.4859   5.6000   3.3995   2.0000   3.6444   6.7833   1.9916   5.2279   2.0412 1.555355 2.851866 
1 1 1   25   10   14 o   20.032   1.8384   48.317   8.5990   53.100   12.139   43.500   12.183   20.841   2.5178   18.743   2.8417 2.097364 3.796600 
1 1 1   25   10   15 o   8.7531   1.7993   9.4772   3.5948   6.4000   5.1066   12.500   5.0612   7.4629   2.4799   10.015   2.2003 -2.551885 3.315315 
1 1 1   25   10   16 o   38.051   2.5017  175.496   22.353  195.000   31.615  156.000   31.609   39.693   3.4061   35.241   3.8617 4.451736 5.149145 
1 1 1   25   10   17 o   20.350   1.8043   49.858   8.5808   63.300   12.154   36.500   12.116   22.828   2.2854   17.035   3.1272 5.792562 3.873341 
1 1 1   25   10   18 o   24.718   1.9640   73.637   11.369   85.900   16.087   61.400   16.070   26.515   2.6029   22.192   3.1555 4.323723 4.090475 
1 1 1   25   10   19 o   19.865   1.8011   47.562   8.3569   62.400   11.834   32.800   11.803   22.662   2.2407   16.083   3.2202 6.578924 3.923129 
1 1 1   25   10   20 o   13.078   1.6977   20.769   5.1191   25.900   7.2258   15.600   7.2531   14.516   2.1751   11.102   2.7744 3.413354 3.525412 
1 1 1   25   10   21 o   18.567   1.7791   41.655   7.7045   43.500   10.882   39.800   10.910   18.770   2.5187   17.894   2.6631 0.8754025 3.665491 
1 1 1   25   10   22 o   26.370   1.8760   83.914   11.606  110.800   16.518   57.700   16.310   30.150   2.3384   21.315   3.3511 8.835629 4.086333 
1 1 1   25   10   23 o   8.3436   2.0011   8.7224   3.8919   5.2000   6.6002   10.600   4.8189   7.4044   2.7826   9.1750   2.2430 -1.770572 3.574065 
1 1 1   25   10   24 o   15.464   2.5123   29.900   8.8590   0.0000   0.0000   29.900   8.8590  ?   ?    15.464   2.5123 0.000000 2.512334 
1 1 1   25   10   25 o   4.2408   1.6948   1.1000   2.5658   0.0000   0.0000   1.1000   2.5658  ?   ?    4.2408   1.6948 0.000000 1.694827 
1 1 1   25   10   26 o   14.592   2.5605   26.900   8.5009   0.0000   0.0000   26.900   8.5009  ?   ?    14.592   2.5605 0.000000 2.560536 
1 1 1   25   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   10   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11    0 o   16.886   2.7285   36.500   10.028   36.500   10.028   36.500   10.028   16.886   2.7285   16.886   2.7285 0.000000 0.000000 
1 1 1   25   11    1 o   45.854   2.8298  254.824   30.491  227.000   43.101  282.700   43.141   42.526   4.3535   47.792   3.8555 -5.266628 5.815324 
1 1 1   25   11    2 o   17.662   1.7522   37.508   7.2112   35.300   10.218   39.700   10.179   16.933   2.6416   18.025   2.4554 -1.091560 3.606494 
1 1 1   25   11    3 o   14.055   1.6908   23.845   5.4988   25.400   7.7894   22.300   7.7635   14.369   2.3789   13.407   2.5453 0.9620695 3.483981 
1 1 1   25   11    4 o   17.321   1.7314   36.080   6.9870   38.800   9.9175   33.400   9.8452   17.822   2.4191   16.464   2.6202 1.358122 3.566192 
1 1 1   25   11    5 o   46.787   2.8952  265.849   31.829  258.600   45.009  273.100   45.018   45.429   4.2448   46.773   4.1180 -1.343204 5.914059 
1 1 1   25   11    6 o   11.620   1.7125   16.420   4.5582   20.800   6.3959   11.900   6.4977   13.016   2.1565   9.7830   2.7163 3.232802 3.468209 
1 1 1   25   11    7 o   17.595   1.7502   37.249   7.1754   36.600   10.142   37.900   10.153   17.257   2.5672   17.579   2.5177 -0.3223095 3.595711 
1 1 1   25   11    8 o   58.696   3.4081  422.785   47.033  464.100   66.649  381.800   66.382   60.494   4.7026   54.399   5.2322 6.095337 7.034993 
1 1 1   25   11    9 o   4.6358   1.5361   2.4269   1.9597  -0.2000   2.7858   5.0000   2.7572   3.9058   1.6782   6.3810   1.7686 -2.475194 2.438058 
1 1 1   25   11   10 o   31.261   2.0834  117.512   15.292  143.500   21.726   92.000   21.527   34.358   2.6996   27.209   3.4264 7.148693 4.362143 
1 1 1   25   11   11 o   16.535   1.6991   32.921   6.5399   38.400   9.2737   27.500   9.2241   17.749   2.2643   14.862   2.7290 2.887136 3.546069 
1 1 1   25   11   12 o   50.881   3.0448  316.165   36.415  368.900   51.540  263.600   51.456   54.300   4.0487   45.272   4.8910 9.027828 6.349335 
1 1 1   25   11   13 o   21.729   1.8344   56.771   9.3242   62.300   13.221   51.300   13.152   22.597   2.5208   20.398   2.8046 2.198589 3.770933 
1 1 1   25   11   14 o   36.310   2.4137  159.489   20.577  166.600   29.124  152.400   29.078   36.692   3.4000   35.000   3.5682 1.691910 4.928674 
1 1 1   25   11   15 o   18.238   1.7996   40.099   7.6492   52.600   10.797   27.500   10.839   20.810   2.2320   14.728   3.2074 6.082344 3.907597 
1 1 1   25   11   16 o   40.520   2.5975  199.359   24.722  224.600   34.991  174.200   34.934   42.544   3.5145   37.140   4.0489 5.404362 5.361455 
1 1 1   25   11   17 o   16.787   1.7469   34.005   6.8233   31.900   9.6612   36.100   9.6381   16.032   2.6441   17.131   2.4526 -1.098663 3.606446 
1 1 1   25   11   18 o   44.130   2.7909  237.697   28.934  259.600   40.921  215.800   40.916   45.476   3.8468   41.154   4.2726 4.322113 5.749172 
1 1 1   25   11   19 o   25.957   1.9975   81.310   12.149   91.500   17.216   71.200   17.148   27.309   2.7053   23.910   3.1108 3.398951 4.122623 
1 1 1   25   11   20 o   9.9669   1.7109   12.204   3.8817   11.100   5.4984   13.300   5.4806   9.3994   2.4517   10.297   2.3108 -0.8975754 3.369048 
1 1 1   25   11   21 o   24.297   1.9393   71.372   11.034   80.300   15.673   62.600   15.536   25.538   2.6369   22.373   3.0178 3.165794 4.007539 
1 1 1   25   11   22 o   13.950   1.7052   23.646   5.5002   23.900   7.8406   23.400   7.7177   13.817   2.4950   13.672   2.4820 0.1450500 3.519280 
1 1 1   25   11   23 o   30.272   2.1661  111.490   15.382  118.600   22.179  104.900   21.352   30.769   3.0945   28.873   3.1847 1.896151 4.440537 
1 1 1   25   11   24 o   16.693   2.6032   34.900   9.9264   0.0000   0.0000   34.900   9.9264  ?   ?    16.693   2.6032 0.000000 2.603193 
1 1 1   25   11   25 o   21.568   2.7684   58.400   13.773   0.0000   0.0000   58.400   13.773  ?   ?    21.568   2.7684 0.000000 2.768367 
1 1 1   25   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   11   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12    0 o   52.001   4.6147  336.500   55.639  336.500   55.639  336.500   55.639   52.001   4.6147   52.001   4.6147 0.000000 0.000000 
1 1 1   25   12    1 o   39.426   2.5653  187.863   23.753  192.500   33.543  183.200   33.640   39.458   3.6411   38.432   3.7548 1.026672 5.230311 
1 1 1   25   12    2 o   10.664   1.6625   13.853   4.0500   14.900   5.7203   12.800   5.7349   10.951   2.2860   10.124   2.4298 0.8265934 3.336055 
1 1 1   25   12    3 o   29.434   2.1180  104.184   14.622  109.400   20.711   99.000   20.646   29.908   2.9719   28.383   3.1327 1.525507 4.318157 
1 1 1   25   12    4 o   33.387   2.2334  134.166   17.506  154.800   24.808  113.700   24.707   35.620   2.9767   30.289   3.5201 5.331118 4.609976 
1 1 1   25   12    5 o   40.429   2.6097  197.758   24.781  191.700   35.068  203.800   35.022   39.262   3.8313   40.561   3.6972 -1.299068 5.324302 
1 1 1   25   12    6 o   41.857   2.6606  212.192   26.161  230.800   37.005  193.600   36.989   43.188   3.6631   39.336   4.0396 3.852386 5.453100 
1 1 1   25   12    7 o   7.6803   1.6862   7.2976   2.9742   9.9000   4.2950   4.9000   4.1226   8.9213   2.0775   6.6086   2.2286 2.312763 3.046750 
1 1 1   25   12    8 o   29.479   2.1641  104.678   14.959  101.800   21.261  107.500   21.050   28.739   3.1866   29.590   3.0568 -0.8504066 4.415645 
1 1 1   25   12    9 o   12.652   1.6174   19.362   4.7214   28.700   6.7469   10.400   6.6094   15.389   1.8968   9.2281   2.7935 6.161289 3.376580 
1 1 1   25   12   10 o   41.310   2.6043  206.738   25.274  231.000   35.789  182.600   35.698   43.224   3.5374   38.145   4.0239 5.078785 5.357700 
1 1 1   25   12   11 o   37.920   2.4477  173.837   21.800  194.500   30.877  153.300   30.783   39.740   3.3208   35.034   3.7809 4.706005 5.032242 
1 1 1   25   12   12 o   6.1672   1.6960   4.6749   2.5468   0.3000   3.4674   9.8000   3.7529   4.5252   1.9052   8.8987   1.8465 -4.373528 2.653195 
1 1 1   25   12   13 o   48.180   3.0213  283.757   34.200  315.000   48.322  252.400   48.411   50.055   4.1250   44.382   4.6904 5.672897 6.246211 
1 1 1   25   12   14 o   11.436   1.6633   15.910   4.3602   20.000   6.1972   11.900   6.1357   12.748   2.1340   9.7534   2.6119 2.995080 3.372840 
1 1 1   25   12   15 o   17.230   1.7305   35.771   6.9454   38.500   9.8763   33.100   9.7692   17.718   2.4242   16.354   2.6180 1.363617 3.567973 
1 1 1   25   12   16 o   28.428   2.1227   97.530   14.146  108.900   19.979   86.100   20.032   29.788   2.8762   26.296   3.2988 3.492390 4.376547 
1 1 1   25   12   17 o   19.939   1.8394   47.928   8.5627   53.200   12.078   42.600   12.141   20.842   2.5043   18.511   2.8706 2.331152 3.809436 
1 1 1   25   12   18 o   9.2125   1.7316   10.462   3.6287   8.6000   5.0818   12.400   5.1832   8.3493   2.4304   9.9555   2.2569 -1.606153 3.316653 
1 1 1   25   12   19 o   42.775   2.7022  223.597   27.153  272.900   38.421  174.400   38.380   46.747   3.5062   36.648   4.5316 10.09919 5.729611 
1 1 1   25   12   20 o   16.936   1.7524   34.698   6.9068   36.400   9.7735   33.000   9.7618   17.153   2.4854   16.273   2.6301 0.8798389 3.618703 
1 1 1   25   12   21 o   10.768   1.5446   14.123   3.8151   22.200   5.5526   6.9000   5.2509   13.495   1.7863   7.6589   2.5133 5.836259 3.083433 
1 1 1   25   12   22 o   18.110   1.8798   39.847   7.9215   53.900   11.126   25.400   11.281   20.964   2.2845   13.971   3.4419 6.992578 4.131053 
1 1 1   25   12   23 o   20.130   2.6696   50.500   12.377   0.0000   0.0000   50.500   12.377  ?   ?    20.130   2.6696 0.000000 2.669648 
1 1 1   25   12   24 o   25.090   2.9619   79.200   17.210   0.0000   0.0000   79.200   17.210  ?   ?    25.090   2.9619 0.000000 2.961905 
1 1 1   25   12   25 o   15.281   2.6124   29.500   9.0880   0.0000   0.0000   29.500   9.0880  ?   ?    15.281   2.6124 0.000000 2.612394 
1 1 1   25   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   12   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13    0 o   31.192   3.2403  120.300   23.277  120.300   23.277  120.300   23.277   31.192   3.2403   31.192   3.2403 0.000000 0.000000 
1 1 1   25   13    1 o   24.453   1.9702   71.879   11.280   76.200   15.899   67.500   16.005   24.980   2.7402   23.429   2.9590 1.551559 4.032940 
1 1 1   25   13    2 o   13.716   1.6751   22.726   5.3125   18.200   7.4935   27.300   7.5326   12.053   2.7000   14.943   2.2006 -2.890231 3.483187 
1 1 1   25   13    3 o   59.907   3.5729  441.801   50.313  421.500   71.156  462.100   71.152   57.104   5.3389   60.064   5.0638 -2.959553 7.358365 
1 1 1   25   13    4 o   31.006   2.1859  115.741   15.902  109.100   22.473  122.400   22.504   29.753   3.2515   31.608   3.0531 -1.854929 4.460236 
1 1 1   25   13    5 o   44.024   2.7546  235.135   28.492  253.100   40.311  217.200   40.276   45.137   3.8178   41.602   4.1555 3.534798 5.643046 
1 1 1   25   13    6 o   22.737   1.9118   62.174   10.169   56.400   14.412   67.900   14.352   21.382   2.9315   23.588   2.6210 -2.205591 3.932332 
1 1 1   25   13    7 o   21.942   1.8207   57.832   9.3482   65.200   13.282   50.600   13.159   23.150   2.4677   20.263   2.8273 2.887281 3.752760 
1 1 1   25   13    8 o   38.525   2.4554  179.353   22.221  204.700   31.485  154.200   31.364   40.804   3.2958   35.126   3.8441 5.678555 5.063550 
1 1 1   25   13    9 o   25.786   1.9985   79.996   12.074   82.900   17.087   77.100   17.063   26.017   2.8267   25.044   2.9414 0.9736557 4.079434 
1 1 1   25   13   10 o   35.957   2.4046  156.250   20.299  180.900   28.708  131.600   28.708   38.374   3.1971   32.413   3.8243 5.960983 4.984682 
1 1 1   25   13   11 o   16.047   1.7118   31.040   6.3863   35.000   9.0425   27.100   9.0206   16.914   2.3255   14.757   2.6877 2.157489 3.554110 
1 1 1   25   13   12 o   18.740   1.7957   42.296   7.8489   42.500   11.215   42.100   10.988   18.581   2.6294   18.504   2.5854 0.7720566E-01 3.687595 
1 1 1   25   13   13 o   37.530   2.3019  170.003   20.302  216.100   28.805  124.500   28.618   42.064   2.9180   31.419   3.9443 10.64465 4.906349 
1 1 1   25   13   14 o   23.678   1.9393   67.511   10.748   57.900   15.209   77.100   15.191   21.592   3.0693   25.129   2.5976 -3.537218 4.020962 
1 1 1   25   13   15 o   20.669   1.8064   51.421   8.7279   57.900   12.420   45.100   12.268   21.774   2.4586   19.083   2.8062 2.690487 3.730902 
1 1 1   25   13   16 o   27.115   2.0024   88.570   12.730   99.300   18.071   78.000   17.935   28.488   2.7193   25.087   3.0931 3.401218 4.118482 
1 1 1   25   13   17 o   23.320   1.9109   65.550   10.431   72.500   14.751   58.600   14.751   24.328   2.6085   21.731   2.9510 2.597092 3.938598 
1 1 1   25   13   18 o   16.406   1.7559   32.544   6.6968   38.700   9.4376   26.300   9.5042   17.769   2.3034   14.438   2.8885 3.331006 3.694449 
1 1 1   25   13   19 o   18.872   1.7938   43.028   7.8975   53.800   11.180   32.300   11.158   20.982   2.2939   15.962   3.0717 5.020013 3.833679 
1 1 1   25   13   20 o   29.605   2.1577  106.300   14.980  121.400   21.185   91.200   21.185   31.327   2.8966   26.877   3.4152 4.450571 4.478183 
1 1 1   25   13   21 o   16.804   1.7482   34.212   6.8354   38.700   9.8855   30.100   9.4618   17.688   2.4311   15.483   2.6853 2.204743 3.622330 
1 1 1   25   13   22 o   10.350   1.6537   13.142   3.9058   20.000   5.6822   7.0000   5.3775   12.746   1.9499   7.7090   2.5441 5.037135 3.205359 
1 1 1   25   13   23 o   13.609   2.5011   23.300   7.7415   0.0000   0.0000   23.300   7.7415  ?   ?    13.609   2.5011 0.000000 2.501098 
1 1 1   25   13   24 o   17.158   2.6901   37.100   10.541   0.0000   0.0000   37.100   10.541  ?   ?    17.158   2.6901 0.000000 2.690094 
1 1 1   25   13   25 o   28.312   3.1595  102.000   20.763   0.0000   0.0000  102.000   20.763  ?   ?    28.312   3.1595 0.000000 3.159529 
1 1 1   25   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   13   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14    0 o   15.720   2.7446   32.000   9.2585   32.000   9.2585   32.000   9.2585   15.720   2.7446   15.720   2.7446 0.000000 0.000000 
1 1 1   25   14    1 o   27.625   2.0573   91.789   13.324  106.000   18.850   77.600   18.836   29.498   2.7374   25.030   3.2647 4.468533 4.260476 
1 1 1   25   14    2 o   65.618   3.8803  534.241   59.857  544.900   84.684  523.600   84.616   64.617   5.6056   63.199   5.7323 1.417328 8.017636 
1 1 1   25   14    3 o   18.392   1.7837   40.711   7.6494   37.900   10.839   43.500   10.797   17.522   2.7069   18.857   2.4853 -1.334242 3.674732 
1 1 1   25   14    4 o   46.499   2.8195  262.654   30.812  293.600   43.643  231.900   43.507   48.608   3.8334   42.854   4.3601 5.753529 5.805615 
1 1 1   25   14    5 o   27.253   2.0459   89.350   13.070   89.700   18.497   89.000   18.471   27.044   2.9440   26.934   2.9526 0.1095657 4.169554 
1 1 1   25   14    6 o   27.756   2.0555   92.685   13.376   88.500   18.884   96.900   18.950   26.826   3.0344   28.133   2.8938 -1.307171 4.193102 
1 1 1   25   14    7 o   29.765   2.1469  106.700   14.989  113.600   21.197   99.800   21.197   30.445   2.9869   28.436   3.2131 2.009068 4.386982 
1 1 1   25   14    8 o   7.9079   1.7652   7.7490   3.2127   4.6000   4.6190   10.700   4.4714   6.6299   2.3526   9.2737   2.0917 -2.643789 3.148006 
1 1 1   25   14    9 o   38.854   2.5435  182.812   23.208  192.000   32.799  173.600   32.843   39.358   3.5679   37.303   3.7807 2.055691 5.198422 
1 1 1   25   14   10 o   5.0491   1.6361   2.9414   2.2281   5.6000   3.3808   0.9000   2.9625   6.7805   1.9848   4.4250   1.8021 2.355571 2.680875 
1 1 1   25   14   11 o   26.537   2.0077   84.769   12.488   93.000   17.694   76.600   17.626   27.579   2.7538   24.901   3.0622 2.677948 4.118371 
1 1 1   25   14   12 o   43.330   2.4557  227.028   25.023  292.400   35.546  162.800   35.233   48.864   3.0966   35.818   4.2486 13.04611 5.257340 
1 1 1   25   14   13 o   25.604   1.9941   78.949   11.961   78.700   16.896   79.200   16.935   25.298   2.8797   25.381   2.8764 -0.8224678E-01 4.070189 
1 1 1   25   14   14 o   25.156   1.9363   76.177   11.413   87.600   16.193   64.900   16.089   26.794   2.5918   22.875   3.0550 3.918606 4.006306 
1 1 1   25   14   15 o   41.108   2.6104  205.356   25.208  221.200   35.700  189.600   35.601   42.130   3.6237   38.799   3.9405 3.331104 5.353382 
1 1 1   25   14   16 o   56.966   3.4504  402.202   46.196  417.600   65.326  386.800   65.335   56.690   4.9290   54.319   5.1555 2.371162 7.132578 
1 1 1   25   14   17 o   28.837   2.1634  100.614   14.624  110.400   20.615   90.700   20.748   29.911   2.9574   26.927   3.3344 2.984211 4.456992 
1 1 1   25   14   18 o   18.206   1.7938   40.060   7.6113   41.900   10.735   38.200   10.794   18.420   2.5352   17.523   2.6948 0.8963146 3.699913 
1 1 1   25   14   19 o   38.257   2.4574  178.362   22.083  214.000   31.291  143.000   31.169   41.470   3.2206   33.364   4.0385 8.106480 5.165434 
1 1 1   25   14   20 o   31.951   2.2682  124.218   17.002  134.100   24.023  114.300   24.066   32.770   3.1430   30.066   3.4523 2.704027 4.668742 
1 1 1   25   14   21 o   33.237   2.3748  134.976   18.516  134.300   26.726  135.600   25.676   32.503   3.5394   32.771   3.3658 -0.2680283 4.884283 
1 1 1   25   14   22 o   21.303   2.7226   56.600   13.382   0.0000   0.0000   56.600   13.382  ?   ?    21.303   2.7226 0.000000 2.722562 
1 1 1   25   14   23 o   29.928   3.2065  113.500   22.308   0.0000   0.0000  113.500   22.308  ?   ?    29.928   3.2065 0.000000 3.206480 
1 1 1   25   14   24 o   4.0287   1.7773  -0.9000   3.3046   0.0000   0.0000  -0.9000   3.3046  ?   ?    4.0287   1.7773 0.000000 1.777344 
1 1 1   25   14   25 o   31.478   3.4048  127.500   24.905   0.0000   0.0000  127.500   24.905  ?   ?    31.478   3.4048 0.000000 3.404783 
1 1 1   25   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   14   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15    0 o   7.2178   2.8172   8.5000   4.5858   8.5000   4.5858   8.5000   4.5858   7.2178   2.8172   7.2178   2.8172 0.000000 0.000000 
1 1 1   25   15    1 o   46.525   2.8920  263.351   31.615  267.600   44.703  259.100   44.717   46.198   4.1417   45.404   4.2190 0.7935905 5.912176 
1 1 1   25   15    2 o   50.358   3.0719  309.534   36.354  327.600   51.435  291.500   51.390   51.024   4.3093   47.910   4.5989 3.113827 6.302411 
1 1 1   25   15    3 o   27.501   2.0628   91.008   13.298   97.200   18.793   84.800   18.819   28.188   2.8631   26.232   3.0979 1.956413 4.218332 
1 1 1   25   15    4 o   20.943   1.9140   52.822   9.3610   72.000   13.197   33.400   13.280   24.378   2.3205   16.195   3.5688 8.182940 4.256919 
1 1 1   25   15    5 o   13.168   1.7042   21.000   5.1748   20.900   7.3333   21.100   7.3034   12.969   2.4851   13.037   2.4627 -0.6791115E-01 3.498624 
1 1 1   25   15    6 o   45.456   2.8453  251.347   30.387  259.300   42.982  243.400   42.965   45.506   4.0421   43.989   4.1868 1.517147 5.819578 
1 1 1   25   15    7 o   27.185   2.0576   88.959   13.110   84.700   18.560   93.200   18.522   26.222   3.0547   27.580   2.8868 -1.358475 4.202950 
1 1 1   25   15    8 o   27.851   2.0753   93.396   13.551   82.700   19.160  104.100   19.167   25.847   3.2082   29.183   2.8164 -3.336283 4.269031 
1 1 1   25   15    9 o   15.189   1.7121   27.850   6.0335   25.200   8.5327   30.500   8.5327   14.229   2.6367   15.758   2.3662 -1.529386 3.542761 
1 1 1   25   15   10 o   5.5778   1.6451   3.7649   2.3150   5.5000   3.4888   2.4000   3.0943   6.7446   2.0269   5.1247   1.9093 1.619940 2.784513 
1 1 1   25   15   11 o   25.256   1.9628   76.764   11.614   82.900   16.473   70.700   16.376   26.034   2.7197   23.943   2.9595 2.090570 4.019369 
1 1 1   25   15   12 o   17.502   1.7604   36.922   7.1765   41.400   10.125   32.400   10.174   18.395   2.3871   16.136   2.7698 2.258743 3.656517 
1 1 1   25   15   13 o   29.934   2.0004  107.805   14.058  135.000   19.992   81.200   19.774   33.325   2.5600   25.509   3.3648 7.816359 4.227992 
1 1 1   25   15   14 o   42.571   2.6572  220.368   26.579  237.100   37.681  203.800   37.495   43.588   3.6958   40.205   4.0027 3.383331 5.447950 
1 1 1   25   15   15 o   14.999   1.7112   27.200   5.9522   27.200   8.4428   27.200   8.3928   14.809   2.5035   14.814   2.4875 -0.4329681E-02 3.529207 
1 1 1   25   15   16 o   7.2063   1.6960   6.4500   2.8381   7.5000   4.0137   5.4000   4.0137   7.7734   2.1255   6.7880   2.1955 0.9853897 3.055861 
1 1 1   25   15   17 o   21.003   1.8612   53.272   9.1354   56.200   12.871   50.300   12.968   21.357   2.6063   20.122   2.8057 1.234850 3.829438 
1 1 1   25   15   18 o   6.7106   1.7073   5.5943   2.7120   1.6000   3.7868   9.8000   3.8857   5.1388   2.0571   8.8711   1.9113 -3.732307 2.808008 
1 1 1   25   15   19 o   21.715   1.8832   57.052   9.5609   54.500   13.526   59.600   13.516   20.917   2.8095   21.943   2.6631 -1.026529 3.871111 
1 1 1   25   15   20 o   33.656   2.3003  138.040   18.172  159.400   25.766  116.900   25.633   35.748   3.0825   30.244   3.6639 5.504400 4.788085 
1 1 1   25   15   21 o   23.694   2.8527   70.100   15.640   0.0000   0.0000   70.100   15.640  ?   ?    23.694   2.8527 0.000000 2.852695 
1 1 1   25   15   22 o   22.906   2.8083   65.700   14.872   0.0000   0.0000   65.700   14.872  ?   ?    22.906   2.8083 0.000000 2.808278 
1 1 1   25   15   23 o   12.126   2.5513   18.700   7.0740   0.0000   0.0000   18.700   7.0740  ?   ?    12.126   2.5513 0.000000 2.551311 
1 1 1   25   15   24 o   18.995   2.7730   45.600   12.071   0.0000   0.0000   45.600   12.071  ?   ?    18.995   2.7730 0.000000 2.772977 
1 1 1   25   15   25 o   9.0841   2.4733   10.500   5.4482   0.0000   0.0000   10.500   5.4482  ?   ?    9.0841   2.4733 0.000000 2.473292 
1 1 1   25   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   15   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16    0 o   49.357   4.4327  303.400   50.704  303.400   50.704  303.400   50.704   49.357   4.4327   49.357   4.4327 0.000000 0.000000 
1 1 1   25   16    1 f   5.5606   1.7828   3.6005   2.6510   4.9000   3.5211   1.9000   4.0279   6.4555   2.0531   5.3825   2.1323 1.073034 2.960034 
1 1 1   25   16    2 o   45.206   2.7919  248.295   29.657  228.100   41.885  268.600   41.998   42.559   4.2236   46.439   3.8649 -3.880924 5.725089 
1 1 1   25   16    3 f   26.187   2.0113   82.500   12.342   88.000   17.455   77.000   17.455   26.825   2.7966   25.003   3.0173 1.822149 4.114069 
1 1 1   25   16    4 o   55.096   3.1969  371.557   41.414  422.900   58.680  320.600   58.458   57.967   4.3179   49.885   5.0313 8.081665 6.630098 
1 1 1   25   16    5 o   32.248   2.2366  125.383   16.926  130.000   23.982  120.800   23.892   32.509   3.1642   31.279   3.2836 1.229366 4.560077 
1 1 1   25   16    6 o   21.421   1.8480   55.189   9.2563   60.600   13.104   49.800   13.077   22.282   2.5356   20.087   2.8359 2.194969 3.804148 
1 1 1   25   16    7 o   13.112   1.6897   20.825   5.1099   27.700   7.2137   13.900   7.2393   15.070   2.0828   10.528   2.8446 4.541823 3.525575 
1 1 1   25   16    8 o   34.251   2.3605  141.785   18.975  159.400   26.808  124.100   26.861   35.995   3.1869   31.513   3.6789 4.481371 4.867337 
1 1 1   25   16    9 o   21.378   1.8584   55.000   9.2881   54.800   13.126   55.200   13.145   21.124   2.6927   21.205   2.6853 -0.8048058E-01 3.802794 
1 1 1   25   16   10 o   39.292   2.5419  187.135   23.459  194.200   33.210  180.100   33.141   39.528   3.5974   37.976   3.7444 1.551239 5.192425 
1 1 1   25   16   11 o   36.257   2.4224  159.146   20.621  164.800   29.171  153.500   29.153   36.456   3.4289   35.106   3.5662 1.349911 4.947207 
1 1 1   25   16   12 o   26.715   2.0168   85.978   12.629   97.000   17.878   75.000   17.842   28.164   2.7221   24.586   3.1453 3.577877 4.159690 
1 1 1   25   16   13 o   34.556   2.2605  144.245   18.343  166.600   26.033  122.200   25.851   36.833   3.0197   31.267   3.5651 5.565857 4.672091 
1 1 1   25   16   14 o   14.156   1.6506   24.224   5.4137   33.600   7.6876   15.000   7.6250   16.626   1.9981   10.901   2.9083 5.725449 3.528560 
1 1 1   25   16   15 o   24.497   1.9053   72.326   10.935   86.000   15.507   58.800   15.422   26.539   2.5040   21.699   3.0978 4.839729 3.983238 
1 1 1   25   16   16 f   11.101   1.6759   15.048   4.2565   14.600   6.0046   15.500   6.0347   10.779   2.4186   11.120   2.3706 -0.3415909 3.386668 
1 1 1   25   16   17 o   47.491   2.5773  275.159   28.795  354.000   40.917  197.800   40.530   53.380   3.2617   38.983   4.4847 14.39788 5.545374 
1 1 1   25   16   18 o   23.305   1.9035   65.673   10.384   68.200   14.766   63.200   14.606   23.476   2.7136   22.555   2.8028 0.9215298 3.901207 
1 1 1   25   16   19 o   22.114   1.8745   59.189   9.6963   63.100   13.917   55.500   13.517   22.567   2.6629   21.102   2.7803 1.465103 3.849868 
1 1 1   25   16   20 o   8.1004   1.8703   8.2011   3.5052   8.1000   4.9835   8.3000   4.9311   8.0970   2.4200   8.1770   2.3980 -0.7993412E-01 3.406908 
1 1 1   25   16   21 o   10.125   2.4234   13.000   5.7169   0.0000   0.0000   13.000   5.7169  ?   ?    10.125   2.4234 0.000000 2.423352 
1 1 1   25   16   22 o   31.394   3.2988  125.400   24.089   0.0000   0.0000  125.400   24.089  ?   ?    31.394   3.2988 0.000000 3.298792 
1 1 1   25   16   23 o   11.206   2.6532   16.100   6.9121   0.0000   0.0000   16.100   6.9121  ?   ?    11.206   2.6532 0.000000 2.653186 
1 1 1   25   16   24 o   13.338   2.6468   22.700   8.0421   0.0000   0.0000   22.700   8.0421  ?   ?    13.338   2.6468 0.000000 2.646809 
1 1 1   25   16   25 o   13.635   2.6234   23.700   8.1400   0.0000   0.0000   23.700   8.1400  ?   ?    13.635   2.6234 0.000000 2.623352 
1 1 1   25   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   16   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17    0 o   18.966   2.7302   45.500   11.492   45.500   11.492   45.500   11.492   18.966   2.7302   18.966   2.7302 0.000000 0.000000 
1 1 1   25   17    1 o   44.336   2.7796  238.926   28.954  197.500   40.935  280.400   40.958   39.399   4.4796   47.549   3.6765 -8.149483 5.795110 
1 1 1   25   17    2 o   20.931   1.8377   52.698   8.9910   51.400   12.706   54.000   12.724   20.454   2.6965   20.994   2.6240 -0.5398407 3.762511 
1 1 1   25   17    3 f   33.207   2.2492  132.991   17.533  148.100   24.844  118.000   24.748   34.751   3.0587   30.828   3.4592 3.922802 4.617602 
1 1 1   25   17    4 o   2.2276   1.0128  -0.7266   1.1646  -1.8000   1.5948   0.5000   1.7047   2.3469   1.1067   3.3554   1.3669 -1.008515 1.758690 
1 1 1   25   17    5 o   52.057   3.1720  331.999   38.807  329.400   54.871  334.600   54.890   50.841   4.6210   51.275   4.5817 -0.4337234 6.507376 
1 1 1   25   17    6 o   32.676   2.2657  128.848   17.374  130.900   24.584  126.800   24.558   32.577   3.2387   32.035   3.2933 0.5416641 4.619035 
1 1 1   25   17    7 o   25.706   2.0000   79.549   12.045   78.700   17.026   80.400   17.042   25.304   2.9020   25.590   2.8698 -0.2858067 4.081302 
1 1 1   25   17    8 o   36.421   2.4299  160.501   20.778  157.500   29.387  163.500   29.381   35.600   3.5428   36.314   3.4685 -0.7141724 4.958055 
1 1 1   25   17    9 o   35.166   2.3573  149.519   19.462  175.800   27.539  123.300   27.507   37.826   3.1107   31.330   3.7955 6.496481 4.907377 
1 1 1   25   17   10 o   28.175   2.0983   95.715   13.860   99.700   19.565   91.700   19.638   28.477   2.9525   27.240   3.1087 1.236279 4.287318 
1 1 1   25   17   11 o   27.068   2.0361   88.284   12.919  108.600   18.277   68.000   18.263   29.851   2.6194   23.291   3.4227 6.559826 4.309994 
1 1 1   25   17   12 o   12.717   1.6901   19.628   4.9497   23.600   7.0656   15.800   6.9360   13.842   2.2381   11.202   2.6615 2.639907 3.477450 
1 1 1   25   17   13 o   61.108   3.2632  460.604   46.917  558.900   66.798  364.900   65.911   66.321   4.2883   52.468   5.3968 13.85266 6.893133 
1 1 1   25   17   14 o   24.162   1.9442   70.443   10.999   73.700   15.571   67.200   15.539   24.466   2.7424   23.298   2.8863 1.167902 3.981385 
1 1 1   25   17   15 o   33.845   2.3356  139.104   18.552  154.300   26.233  123.900   26.240   35.245   3.1864   31.334   3.6124 3.911085 4.816927 
1 1 1   25   17   16 o   50.163   2.9572  309.955   34.874  355.400   49.454  265.000   49.187   52.847   3.9924   44.979   4.7004 7.867558 6.167080 
1 1 1   25   17   17 o   37.427   2.5161  171.182   22.108  162.800   31.326  179.500   31.205   35.761   3.7663   37.717   3.5453 -1.955971 5.172395 
1 1 1   25   17   18 o   25.226   2.0194   77.173   11.929   76.000   17.040   78.300   16.704   24.655   2.9878   25.082   2.8721 -0.4265461 4.144382 
1 1 1   25   17   19 o   37.954   2.2838  175.424   20.373  207.400   29.509  146.300   28.163   40.781   3.0872   33.909   3.5708 6.871674 4.720363 
1 1 1   25   17   20 o   24.108   2.8566   72.700   15.946   0.0000   0.0000   72.700   15.946  ?   ?    24.108   2.8566 0.000000 2.856648 
1 1 1   25   17   21 o   10.471   2.3813   13.900   5.7548   0.0000   0.0000   13.900   5.7548  ?   ?    10.471   2.3813 0.000000 2.381325 
1 1 1   25   17   22 o   17.872   2.6143   40.100   10.707   0.0000   0.0000   40.100   10.707  ?   ?    17.872   2.6143 0.000000 2.614319 
1 1 1   25   17   23 o   18.278   2.7266   42.200   11.408   0.0000   0.0000   42.200   11.408  ?   ?    18.278   2.7266 0.000000 2.726641 
1 1 1   25   17   24 o   15.830   2.6788   31.800   9.6563   0.0000   0.0000   31.800   9.6563  ?   ?    15.830   2.6788 0.000000 2.678834 
1 1 1   25   17   25 o   17.739   2.7309   39.900   11.072   0.0000   0.0000   39.900   11.072  ?   ?    17.739   2.7309 0.000000 2.730933 
1 1 1   25   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   17   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18    0 o   24.723   2.9201   76.100   16.422   76.100   16.422   76.100   16.422   24.723   2.9201   24.723   2.9201 0.000000 0.000000 
1 1 1   25   18    1 o   20.549   1.8392   50.815   8.8301   54.300   12.460   47.300   12.515   21.070   2.5568   19.581   2.7852 1.489346 3.780802 
1 1 1   25   18    2 o   37.205   2.4552  167.442   21.449  187.700   30.339  147.200   30.327   39.022   3.3241   34.297   3.8090 4.725079 5.055493 
1 1 1   25   18    3 o   27.708   2.0692   92.452   13.441   85.900   19.012   99.000   19.005   26.378   3.1122   28.429   2.8703 -2.051022 4.233706 
1 1 1   25   18    4 o   18.149   1.7540   39.651   7.4232   45.400   10.543   34.000   10.454   19.290   2.3641   16.546   2.7736 2.743637 3.644442 
1 1 1   25   18    5 o   23.444   1.9160   66.138   10.514   70.200   14.891   62.100   14.848   23.950   2.6788   22.451   2.8661 1.499157 3.923046 
1 1 1   25   18    6 f   1.7718   0.8427  -1.2368   0.9633   2.6000   1.5049  -3.9000   1.2538   4.6223   1.3157   1.5261   0.7680 3.096151 1.523400 
1 1 1   25   18    7 o   17.051   1.7052   35.016   6.7737   28.600   9.5179   41.600   9.6421   15.140   2.7641   18.474   2.2572 -3.333927 3.568621 
1 1 1   25   18    8 o   19.858   1.7972   47.468   8.3363   37.900   11.770   57.100   11.809   17.424   2.9670   21.660   2.3464 -4.236149 3.782664 
1 1 1   25   18    9 o   6.8583   1.6808   5.8319   2.7009   8.7000   3.9044   3.2000   3.7402   8.3591   2.0040   5.7483   2.1067 2.610860 2.907653 
1 1 1   25   18   10 o   49.667   3.0317  302.210   35.387  338.100   50.072  266.400   50.016   51.761   4.1311   45.464   4.7280 6.296654 6.278556 
1 1 1   25   18   11 o   39.324   2.5438  187.870   23.495  204.700   33.256  171.100   33.198   40.554   3.5073   36.846   3.8736 3.708206 5.225522 
1 1 1   25   18   12 o   52.321   3.1136  336.903   38.294  369.400   54.322  304.800   53.991   53.817   4.3107   48.450   4.7815 5.366425 6.437795 
1 1 1   25   18   13 o   15.505   1.6472   29.024   5.9386   34.500   8.4993   23.800   8.3012   16.789   2.1965   13.780   2.6473 3.009293 3.439887 
1 1 1   25   18   14 o   7.1212   1.6594   6.3003   2.7388   9.7000   3.9657   3.2000   3.7870   8.8216   1.9551   5.7563   2.1183 3.065282 2.882677 
1 1 1   25   18   15 o   36.490   2.4178  162.101   20.715  177.100   29.344  147.200   29.247   37.650   3.3351   34.091   3.6921 3.558525 4.975427 
1 1 1   25   18   16 o   23.965   1.9524   69.503   10.952   68.600   15.511   70.400   15.467   23.489   2.8552   23.820   2.8035 -0.3311844 4.001478 
1 1 1   25   18   17 o   26.307   2.0193   83.880   12.448   89.500   17.635   78.300   17.573   26.858   2.8228   25.009   3.0382 1.849432 4.147142 
1 1 1   25   18   18 o   36.534   2.3371  162.794   20.057  188.500   28.508  137.600   28.223   38.841   3.1350   32.789   3.7105 6.052162 4.857534 
1 1 1   25   18   19 o   11.669   2.4431   17.200   6.5157   0.0000   0.0000   17.200   6.5157  ?   ?    11.669   2.4431 0.000000 2.443081 
1 1 1   25   18   20 o   20.791   2.7088   54.100   12.983   0.0000   0.0000   54.100   12.983  ?   ?    20.791   2.7088 0.000000 2.708811 
1 1 1   25   18   21 o   34.352   3.5177  151.600   28.132   0.0000   0.0000  151.600   28.132  ?   ?    34.352   3.5177 0.000000 3.517664 
1 1 1   25   18   22 o   24.494   2.8993   75.700   16.444   0.0000   0.0000   75.700   16.444  ?   ?    24.494   2.8993 0.000000 2.899261 
1 1 1   25   18   23 o   21.459   2.8690   58.300   14.174   0.0000   0.0000   58.300   14.174  ?   ?    21.459   2.8690 0.000000 2.869018 
1 1 1   25   18   24 o   17.718   2.7430   39.800   11.106   0.0000   0.0000   39.800   11.106  ?   ?    17.718   2.7430 0.000000 2.743019 
1 1 1   25   18   25 o   18.896   2.7855   45.400   12.056   0.0000   0.0000   45.400   12.056  ?   ?    18.896   2.7855 0.000000 2.785463 
1 1 1   25   18   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   18   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19    0 o   38.739   3.7088  186.100   33.212  186.100   33.212  186.100   33.212   38.739   3.7088   38.739   3.7088 0.000000 0.000000 
1 1 1   25   19    1 o   24.339   1.9439   71.300   11.079   76.800   15.668   65.800   15.668   25.056   2.6902   23.091   2.9400 1.964012 3.985096 
1 1 1   25   19    2 o   15.488   1.6934   28.936   6.0922   26.200   8.5942   31.700   8.6372   14.519   2.6023   16.072   2.3448 -1.553332 3.502896 
1 1 1   25   19    3 o   48.975   3.0218  293.300   34.775  292.800   49.185  293.800   49.175   48.038   4.3843   48.128   4.3748 -0.8969116E-01 6.193559 
1 1 1   25   19    4 o   9.0615   1.7078   10.108   3.5203   9.4000   5.0063   10.800   4.9510   8.6957   2.3723   9.2979   2.2739 -0.6021719 3.286051 
1 1 1   25   19    5 f   49.430   2.9496  298.339   34.271  343.600   48.554  253.400   48.381   52.387   3.9541   44.444   4.6804 7.943691 6.127048 
1 1 1   25   19    6 o   15.349   1.7065   28.439   6.0803   24.500   8.5869   32.400   8.6109   14.004   2.6945   16.260   2.3075 -2.255446 3.547505 
1 1 1   25   19    7 o   4.1408   1.5298   1.5967   1.9782  -2.7000   3.0269   4.8000   2.6135   3.3819   1.5717   6.2462   1.7182 -2.864282 2.328624 
1 1 1   25   19    8 o   45.734   2.7348  254.671   29.399  302.300   41.676  207.500   41.476   49.305   3.6046   40.280   4.4340 9.024807 5.714340 
1 1 1   25   19    9 o   22.286   1.8851   59.850   9.8277   60.900   13.898   58.800   13.898   22.252   2.7004   21.842   2.7560 0.4100094 3.858455 
1 1 1   25   19   10 o   27.740   2.0778   92.909   13.512  101.600   19.099   84.200   19.118   28.745   2.8514   26.017   3.1780 2.728058 4.269652 
1 1 1   25   19   11 o   34.794   2.3495  146.838   19.191  166.600   27.148  127.100   27.132   36.688   3.1647   31.748   3.6878 4.940294 4.859531 
1 1 1   25   19   12 o   9.7344   1.7292   11.660   3.8292   14.400   5.4058   8.9000   5.4247   10.744   2.2048   8.4975   2.5215 2.246042 3.349452 
1 1 1   25   19   13 o   36.116   2.4347  158.750   20.643  152.900   29.193  164.600   29.193   34.836   3.6009   36.244   3.4527 -1.408882 4.988808 
1 1 1   25   19   14 o   30.193   2.1617  110.521   15.310  104.200   21.602  116.900   21.702   28.857   3.2254   30.677   3.0357 -1.820395 4.429275 
1 1 1   25   19   15 o   30.194   2.1661  110.675   15.342  116.500   21.743  104.900   21.651   30.582   3.0516   28.918   3.2255 1.663559 4.440275 
1 1 1   25   19   16 o   33.222   2.1773  134.024   16.986  153.100   24.301  115.800   23.752   35.119   2.9579   30.285   3.3789 4.833609 4.490724 
1 1 1   25   19   17 o   16.396   1.7122   32.574   6.5314   36.500   9.3294   28.800   9.1470   17.181   2.3620   15.136   2.6561 2.045399 3.554454 
1 1 1   25   19   18 o   17.399   2.5690   37.800   10.237   0.0000   0.0000   37.800   10.237  ?   ?    17.399   2.5690 0.000000 2.569025 
1 1 1   25   19   19 o   26.364   3.0021   87.500   18.357   0.0000   0.0000   87.500   18.357  ?   ?    26.364   3.0021 0.000000 3.002143 
1 1 1   25   19   20 o   11.192   2.4369   15.900   6.2577   0.0000   0.0000   15.900   6.2577  ?   ?    11.192   2.4369 0.000000 2.436855 
1 1 1   25   19   21 o   19.143   2.6403   46.000   11.618   0.0000   0.0000   46.000   11.618  ?   ?    19.143   2.6403 0.000000 2.640333 
1 1 1   25   19   22 o   21.181   2.7952   56.600   13.639   0.0000   0.0000   56.600   13.639  ?   ?    21.181   2.7952 0.000000 2.795185 
1 1 1   25   19   23 o   9.9160   2.6155   12.600   6.2124   0.0000   0.0000   12.600   6.2124  ?   ?    9.9160   2.6155 0.000000 2.615495 
1 1 1   25   19   24 o   13.727   2.6579   24.100   8.3041   0.0000   0.0000   24.100   8.3041  ?   ?    13.727   2.6579 0.000000 2.657948 
1 1 1   25   19   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   19   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20    0 o   27.666   3.0743   95.100   19.450   95.100   19.450   95.100   19.450   27.666   3.0743   27.666   3.0743 0.000000 0.000000 
1 1 1   25   20    1 o   45.857   2.8257  256.251   30.449  279.600   43.106  233.000   43.017   47.261   3.8973   42.849   4.3099 4.411797 5.810705 
1 1 1   25   20    2 o   28.648   2.1068   98.952   14.152   98.400   20.048   99.500   19.981   28.252   3.0537   28.422   3.0235 -0.1707745 4.297315 
1 1 1   25   20    3 o   40.694   2.6204  201.146   25.046  205.600   35.434  196.700   35.407   40.567   3.7412   39.620   3.8324 0.9469910 5.355713 
1 1 1   25   20    4 o   53.483   3.3334  352.711   41.889  321.500   59.346  383.700   59.134   49.641   5.1372   54.752   4.6169 -5.111088 6.906970 
1 1 1   25   20    5 o   54.119   3.2732  360.820   41.633  372.600   58.954  349.100   58.802   53.855   4.6824   51.971   4.8474 1.884159 6.739619 
1 1 1   25   20    6 o   35.322   2.3927  151.160   19.839  147.600   28.097  154.700   28.016   34.406   3.5073   35.284   3.4048 -0.8778229 4.888185 
1 1 1   25   20    7 o   47.198   2.9417  272.844   32.622  275.600   46.185  270.100   46.085   46.548   4.2487   46.048   4.2876 0.4997520 6.036087 
1 1 1   25   20    8 o   25.410   2.0006   77.915   11.907   73.100   16.866   82.700   16.813   24.281   3.0058   25.928   2.7900 -1.646549 4.101072 
1 1 1   25   20    9 o   27.144   2.0461   88.986   13.019   94.100   18.438   83.900   18.385   27.629   2.8678   26.001   3.0526 1.628145 4.188426 
1 1 1   25   20   10 o   4.1571   1.5227   1.6551   1.9535  -1.9000   2.8514   4.8000   2.6818   3.4401   1.5720   6.2470   1.7488 -2.806946 2.351501 
1 1 1   25   20   11 o   31.363   2.1738  119.089   15.999  137.300   22.665  101.000   22.588   33.372   2.9051   28.339   3.4465 5.033281 4.507504 
1 1 1   25   20   12 o   16.061   1.7326   31.218   6.4667   33.300   9.1073   29.100   9.1838   16.413   2.4228   15.257   2.6450 1.155441 3.586878 
1 1 1   25   20   13 o   17.975   1.7807   39.091   7.4588   46.900   10.554   31.300   10.542   19.549   2.3324   15.729   2.9467 3.819994 3.758109 
1 1 1   25   20   14 o   6.8507   1.6644   5.8395   2.6659   9.8000   3.9744   2.6000   3.5944   8.8593   1.9524   5.4230   2.0501 3.436310 2.831030 
1 1 1   25   20   15 o   27.729   1.9005   92.889   12.369  117.700   17.679   69.100   17.311   31.015   2.4335   23.390   3.2196 7.624758 4.035828 
1 1 1   25   20   16 o   18.736   1.8046   42.546   7.8853   42.700   11.296   42.400   11.012   18.499   2.6628   18.455   2.5988 0.4317474E-01 3.720788 
1 1 1   25   20   17 o   14.135   2.5047   25.100   8.0543   0.0000   0.0000   25.100   8.0543  ?   ?    14.135   2.5047 0.000000 2.504745 
1 1 1   25   20   18 o   37.318   3.7076  179.500   32.240   0.0000   0.0000  179.500   32.240  ?   ?    37.318   3.7076 0.000000 3.707646 
1 1 1   25   20   19 o   26.578   2.9997   89.100   18.497   0.0000   0.0000   89.100   18.497  ?   ?    26.578   2.9997 0.000000 2.999735 
1 1 1   25   20   20 o   13.612   2.4890   23.400   7.7054   0.0000   0.0000   23.400   7.7054  ?   ?    13.612   2.4890 0.000000 2.489006 
1 1 1   25   20   21 o   16.917   2.6382   36.100   10.195   0.0000   0.0000   36.100   10.195  ?   ?    16.917   2.6382 0.000000 2.638232 
1 1 1   25   20   22 o   11.044   2.5410   15.600   6.4887   0.0000   0.0000   15.600   6.4887  ?   ?    11.044   2.5410 0.000000 2.540961 
1 1 1   25   20   23 o   5.9297   2.1567   3.6000   3.9090   0.0000   0.0000   3.6000   3.9090  ?   ?    5.9297   2.1567 0.000000 2.156689 
1 1 1   25   20   24 o   3.9379   1.6821   0.0000   2.7696   0.0000   0.0000   0.0000   2.7696  ?   ?    3.9379   1.6821 0.000000 1.682095 
1 1 1   25   20   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   20   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21    0 o   41.122   3.8804  210.500   36.909  210.500   36.909  210.500   36.909   41.122   3.8804   41.122   3.8804 0.000000 0.000000 
1 1 1   25   21    1 o   14.877   1.6697   26.732   5.7643   31.800   8.2077   21.800   8.0973   16.118   2.2151   13.180   2.6927 2.937707 3.486747 
1 1 1   25   21    2 o   26.909   2.0396   87.345   12.864   93.600   18.199   81.100   18.185   27.598   2.8328   25.581   3.0718 2.016588 4.178604 
1 1 1   25   21    3 o   71.036   4.2488  639.748   70.943  650.400  100.339  629.100  100.318   69.001   6.2252   67.672   6.3522 1.329498 8.893977 
1 1 1   25   21    4 o   26.987   2.0544   87.911   12.994   89.700   18.322   86.100   18.430   26.967   2.9240   26.381   3.0126 0.5865326 4.198313 
1 1 1   25   21    5 o   30.512   2.1631  112.526   15.484  124.200   21.920  100.900   21.875   31.753   2.9574   28.439   3.3199 3.313999 4.446062 
1 1 1   25   21    6 o   42.471   2.6760  220.073   26.700  203.800   37.671  236.500   37.849   40.053   4.0381   43.389   3.7304 -3.335812 5.497487 
1 1 1   25   21    7 o   19.073   1.7923   43.904   7.9776   39.600   11.287   48.200   11.277   17.837   2.7695   19.811   2.4638 -1.974592 3.706835 
1 1 1   25   21    8 o   8.4059   1.7716   8.7660   3.4056   3.7000   4.8483   13.700   4.7848   6.3555   2.3856   10.515   2.0002 -4.159129 3.113142 
1 1 1   25   21    9 o   14.591   1.6632   25.759   5.6279   29.900   7.9988   21.700   7.9199   15.595   2.2361   13.137   2.6445 2.457432 3.463209 
1 1 1   25   21   10 o   34.824   2.3212  147.317   18.979  167.300   26.896  127.500   26.784   36.711   3.1326   31.744   3.6389 4.966793 4.801577 
1 1 1   25   21   11 o   5.6184   1.6620   3.8327   2.3595   1.7000   3.3234   6.0000   3.3503   4.9334   1.9424   6.9679   1.9561 -2.034521 2.756637 
1 1 1   25   21   12 o   9.7879   1.7271   11.803   3.8458   14.500   5.3873   9.0000   5.4919   10.770   2.1928   8.5294   2.5384 2.240662 3.354431 
1 1 1   25   21   13 o   38.645   2.5719  182.972   23.336  180.200   33.135  185.700   32.870   37.573   3.7862   38.218   3.6880 -0.6455040 5.285546 
1 1 1   25   21   14 o   18.462   1.9251   41.444   8.2690   31.400   11.874   50.900   11.522   15.598   3.3255   20.312   2.4519 -4.713799 4.131650 
1 1 1   25   21   15 o   52.650   3.3500  348.925   41.433  336.600   58.898  361.000   58.298   49.774   5.0824   51.903   4.8114 -2.128647 6.998576 
1 1 1   25   21   16 o   41.343   4.0043  222.300   38.602   0.0000   0.0000  222.300   38.602  ?   ?    41.343   4.0043 0.000000 4.004251 
1 1 1   25   21   17 o   22.359   2.7778   62.600   14.350   0.0000   0.0000   62.600   14.350  ?   ?    22.359   2.7778 0.000000 2.777836 
1 1 1   25   21   18 o   19.690   2.6687   48.600   12.089   0.0000   0.0000   48.600   12.089  ?   ?    19.690   2.6687 0.000000 2.668705 
1 1 1   25   21   19 o   30.128   3.2200  115.500   22.553   0.0000   0.0000  115.500   22.553  ?   ?    30.128   3.2200 0.000000 3.220028 
1 1 1   25   21   20 o   6.2388   2.2663   4.0000   4.3146   0.0000   0.0000   4.0000   4.3146  ?   ?    6.2388   2.2663 0.000000 2.266336 
1 1 1   25   21   21 o   6.2379   2.2925   3.9000   4.4332   0.0000   0.0000   3.9000   4.4332  ?   ?    6.2379   2.2925 0.000000 2.292498 
1 1 1   25   21   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   23 o   10.629   2.6837   14.600   6.7371   0.0000   0.0000   14.600   6.7371  ?   ?    10.629   2.6837 0.000000 2.683731 
1 1 1   25   21   24 o   11.578   2.7282   17.400   7.3363   0.0000   0.0000   17.400   7.3363  ?   ?    11.578   2.7282 0.000000 2.728192 
1 1 1   25   21   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   21   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22    0 o   20.670   2.8001   53.900   12.961   53.900   12.961   53.900   12.961   20.670   2.8001   20.670   2.8001 0.000000 0.000000 
1 1 1   25   22    1 o   23.878   1.9213   68.779   10.741   72.200   15.237   65.400   15.144   24.221   2.7105   22.989   2.8509 1.231977 3.933739 
1 1 1   25   22    2 o   21.543   1.8616   55.990   9.3766   41.100   13.256   70.900   13.265   18.024   3.2334   24.116   2.3596 -6.092600 4.002872 
1 1 1   25   22    3 o   19.768   1.8086   47.154   8.3491   46.800   11.869   47.500   11.747   19.458   2.6523   19.622   2.5991 -0.1642208 3.713490 
1 1 1   25   22    4 o   7.9913   1.7105   7.9194   3.1304   9.0000   4.3884   6.8000   4.4667   8.4856   2.1789   7.4947   2.3021 0.9908772 3.169691 
1 1 1   25   22    5 o   28.879   2.1178  100.884   14.341  106.300   20.312   95.500   20.251   29.316   2.9755   27.696   3.1527 1.620087 4.335095 
1 1 1   25   22    6 o   5.9787   1.6828   4.3890   2.4761   5.9000   3.5147   2.9000   3.4891   6.9380   2.0217   5.5091   2.0324 1.428917 2.866632 
1 1 1   25   22    7 o   31.609   2.2457  121.215   16.653  118.800   23.625  123.600   23.477   30.823   3.2971   31.494   3.2013 -0.6711025 4.595561 
1 1 1   25   22    8 o   38.707   2.4763  182.604   22.515  215.500   31.887  149.900   31.794   41.590   3.2733   34.195   4.0139 7.395638 5.179338 
1 1 1   25   22    9 o   30.950   2.2167  116.310   16.093  114.600   22.827  118.000   22.693   30.252   3.2461   30.741   3.1717 -0.4883862 4.538393 
1 1 1   25   22   10 o   7.2229   1.7358   6.4971   2.9238   4.7000   4.0769   8.4000   4.1953   6.4820   2.2160   8.1937   2.1437 -1.711636 3.083188 
1 1 1   25   22   11 o   35.076   2.3656  149.966   19.479  157.100   27.614  142.900   27.481   35.363   3.3467   33.612   3.5144 1.750717 4.852974 
1 1 1   25   22   12 o   29.441   2.1734  105.372   15.003   97.200   21.247  113.500   21.189   27.755   3.3070   30.174   3.0142 -2.419186 4.474520 
1 1 1   25   22   13 o   15.804   1.7444   30.320   6.4012   25.400   9.0713   35.200   9.0341   14.142   2.8154   16.875   2.3292 -2.733288 3.653961 
1 1 1   25   22   14 o   27.534   2.0408   92.117   13.174   99.700   18.736   84.700   18.529   28.287   2.8435   25.931   3.0866 2.355429 4.196758 
1 1 1   25   22   15 o   13.333   2.4984   22.400   7.5767   0.0000   0.0000   22.400   7.5767  ?   ?    13.333   2.4984 0.000000 2.498384 
1 1 1   25   22   16 o   32.001   3.3340  130.300   24.824   0.0000   0.0000  130.300   24.824  ?   ?    32.001   3.3340 0.000000 3.334028 
1 1 1   25   22   17 o  ?   ?   -2.2000   0.5743   0.0000   0.0000  -2.2000   0.5743  ?   ?   ?   ?  0.000000      ? 
1 1 1   25   22   18 o   23.987   2.8578   72.400   15.868   0.0000   0.0000   72.400   15.868  ?   ?    23.987   2.8578 0.000000 2.857811 
1 1 1   25   22   19 o   24.018   2.8730   72.700   15.971   0.0000   0.0000   72.700   15.971  ?   ?    24.018   2.8730 0.000000 2.873027 
1 1 1   25   22   20 o   38.537   3.8537  194.500   34.599   0.0000   0.0000  194.500   34.599  ?   ?    38.537   3.8537 0.000000 3.853733 
1 1 1   25   22   21 o   10.504   2.6471   14.200   6.5632   0.0000   0.0000   14.200   6.5632  ?   ?    10.504   2.6471 0.000000 2.647085 
1 1 1   25   22   22 o   8.6201   2.5275   9.4000   5.4782   0.0000   0.0000   9.4000   5.4782  ?   ?    8.6201   2.5275 0.000000 2.527470 
1 1 1   25   22   23 o   16.161   2.7696   33.500   10.189   0.0000   0.0000   33.500   10.189  ?   ?    16.161   2.7696 0.000000 2.769619 
1 1 1   25   22   24 o   10.631   2.6205   14.700   6.5361   0.0000   0.0000   14.700   6.5361  ?   ?    10.631   2.6205 0.000000 2.620473 
1 1 1   25   22   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   22   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23    0 o   27.315   3.0600   93.100   19.102   93.100   19.102   93.100   19.102   27.315   3.0600   27.315   3.0600 0.000000 0.000000 
1 1 1   25   23    1 o   22.666   1.9194   62.080   10.177   56.500   14.430   67.600   14.354   21.285   2.9504   23.429   2.6405 -2.144470 3.959447 
1 1 1   25   23    2 o   37.290   2.4866  169.457   21.770  166.700   30.827  172.200   30.749   36.352   3.6401   37.000   3.5634 -0.6479721 5.093919 
1 1 1   25   23    3 o   43.239   2.7355  229.098   27.786  241.200   39.381  217.100   39.211   43.599   3.8653   41.184   4.0859 2.415337 5.624507 
1 1 1   25   23    4 o   24.030   1.9015   69.727   10.702   78.300   15.200   61.300   15.069   25.245   2.5863   22.173   2.9514 3.071966 3.924280 
1 1 1   25   23    5 f   16.916   1.6772   34.555   6.6114   22.900   9.2931   46.500   9.4078   13.397   3.0109   19.547   2.0697 -6.149186 3.653626 
1 1 1   25   23    6 o   11.217   1.6996   15.385   4.3606   12.600   6.0971   18.300   6.2388   9.9873   2.5703   12.119   2.2634 -2.131609 3.424785 
1 1 1   25   23    7 o   19.000   1.7915   43.649   7.9427   44.900   11.237   42.400   11.228   19.046   2.5638   18.470   2.6503 0.5753803 3.687419 
1 1 1   25   23    8 o   31.964   2.2192  124.114   16.646  139.600   23.569  108.700   23.514   33.526   3.0092   29.318   3.4634 4.207598 4.588058 
1 1 1   25   23    9 o   7.7841   1.7674   7.5486   3.1745   6.1000   4.5693   8.9000   4.4135   7.1961   2.3437   8.4259   2.1959 -1.229844 3.211696 
1 1 1   25   23   10 o   9.6434   1.7474   11.483   3.8325   13.200   5.2993   9.6000   5.5493   10.249   2.2512   8.7694   2.5360 1.479872 3.391021 
1 1 1   25   23   11 o   33.322   2.1726  134.984   17.001  161.700   24.236  109.100   23.856   36.112   2.8657   29.260   3.5236 6.851805 4.541803 
1 1 1   25   23   12 o   15.387   1.7351   28.773   6.1945   37.100   8.7481   20.400   8.7726   17.368   2.1811   12.590   2.9944 4.777912 3.704534 
1 1 1   25   23   13 o   4.0339   1.5529   1.2983   2.0864   7.3000   3.6148  -1.7000   2.5550   7.6348   1.9862   3.2530   1.4871 4.381799 2.481212 
1 1 1   25   23   14 o   32.716   3.3797  136.200   25.733   0.0000   0.0000  136.200   25.733  ?   ?    32.716   3.3797 0.000000 3.379683 
1 1 1   25   23   15 o   10.535   2.4315   14.100   5.9262   0.0000   0.0000   14.100   5.9262  ?   ?    10.535   2.4315 0.000000 2.431508 
1 1 1   25   23   16 o   29.578   3.1819  111.000   21.874   0.0000   0.0000  111.000   21.874  ?   ?    29.578   3.1819 0.000000 3.181928 
1 1 1   25   23   17 o   17.563   2.5821   38.700   10.389   0.0000   0.0000   38.700   10.389  ?   ?    17.563   2.5821 0.000000 2.582094 
1 1 1   25   23   18 o   25.352   2.9351   81.100   17.246   0.0000   0.0000   81.100   17.246  ?   ?    25.352   2.9351 0.000000 2.935088 
1 1 1   25   23   19 o   11.618   2.4969   17.200   6.6460   0.0000   0.0000   17.200   6.6460  ?   ?    11.618   2.4969 0.000000 2.496941 
1 1 1   25   23   20 o   9.5677   2.4588   11.700   5.5853   0.0000   0.0000   11.700   5.5853  ?   ?    9.5677   2.4588 0.000000 2.458812 
1 1 1   25   23   21 o   31.454   3.4243  128.300   25.023   0.0000   0.0000  128.300   25.023  ?   ?    31.454   3.4243 0.000000 3.424304 
1 1 1   25   23   22 o   11.148   2.8156   16.200   7.4136   0.0000   0.0000   16.200   7.4136  ?   ?    11.148   2.8156 0.000000 2.815586 
1 1 1   25   23   23 f   13.109   2.6983   22.300   8.0745   0.0000   0.0000   22.300   8.0745  ?   ?    13.109   2.6983 0.000000 2.698334 
1 1 1   25   23   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   23   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24    0 f   11.571   2.8280   18.600   6.6933   18.600   6.6933   18.600   6.6933   11.571   2.8280   11.571   2.8280 0.000000 0.000000 
1 1 1   25   24    1 o   16.052   1.7263   31.200   6.4407   29.400   9.1085   33.000   9.1085   15.337   2.6084   16.322   2.4380 -0.9850655 3.570364 
1 1 1   25   24    2 o   8.0189   1.7226   7.9886   3.1645   1.7000   4.4538   14.400   4.4971   5.5017   2.2208   10.815   1.8259 -5.313471 2.875086 
1 1 1   25   24    3 o   30.199   2.1817  110.708   15.453  114.500   21.832  106.900   21.876   30.306   3.0942   29.207   3.2257 1.098555 4.469788 
1 1 1   25   24    4 o   45.293   2.7639  252.121   29.419  283.900   41.690  220.600   41.521   47.298   3.7638   41.202   4.3325 6.095879 5.739060 
1 1 1   25   24    5 o   28.352   2.1138   97.505   14.050   98.400   19.809   96.600   19.931   28.094   3.0342   27.808   3.0873 0.2861862 4.328722 
1 1 1   25   24    6 o   16.540   1.6995   33.098   6.5432   24.000   9.2272   42.300   9.2801   13.722   2.9363   18.596   2.1531 -4.873795 3.641133 
1 1 1   25   24    7 o   25.645   1.9981   79.693   12.004   83.500   16.991   75.900   16.962   25.934   2.8200   24.646   2.9747 1.288254 4.098890 
1 1 1   25   24    8 o   7.3926   1.7447   6.8153   2.9967  10.0000   4.2614   3.7000   4.2147   8.9298   2.0625   6.1076   2.2367 2.822265 3.042503 
1 1 1   25   24    9 o   8.2175   1.8119   8.4248   3.4213   9.9000   5.0796   7.2000   4.6286   8.8657   2.3775   7.6682   2.3414 1.197537 3.336859 
1 1 1   25   24   10 o   19.792   1.7661   47.423   8.1676   54.600   11.700   40.600   11.407   21.041   2.3976   17.971   2.7776 3.069403 3.669293 
1 1 1   25   24   11 o   12.490   1.6729   19.033   4.8099   22.100   6.8793   16.100   6.7278   13.313   2.2696   11.248   2.5869 2.064879 3.441379 
1 1 1   25   24   12 o   30.178   2.2129  111.217   15.659  109.300   22.246  113.100   22.046   29.358   3.2643   29.927   3.1678 -0.5693893 4.548707 
1 1 1   25   24   13 o   14.984   2.5147   28.200   8.5825   0.0000   0.0000   28.200   8.5825  ?   ?    14.984   2.5147 0.000000 2.514685 
1 1 1   25   24   14 o   16.869   2.5793   35.700   9.9480   0.0000   0.0000   35.700   9.9480  ?   ?    16.869   2.5793 0.000000 2.579265 
1 1 1   25   24   15 o   6.3639   2.1146   4.7000   3.7130   0.0000   0.0000   4.7000   3.7130  ?   ?    6.3639   2.1146 0.000000 2.114628 
1 1 1   25   24   16 o   19.983   2.6831   50.100   12.341   0.0000   0.0000   50.100   12.341  ?   ?    19.983   2.6831 0.000000 2.683112 
1 1 1   25   24   17 o   41.305   4.0556  224.900   39.046   0.0000   0.0000  224.900   39.046  ?   ?    41.305   4.0556 0.000000 4.055559 
1 1 1   25   24   18 o   6.4493   2.1690   4.8000   3.9052   0.0000   0.0000   4.8000   3.9052  ?   ?    6.4493   2.1690 0.000000 2.169016 
1 1 1   25   24   19 o   22.462   2.8110   63.800   14.583   0.0000   0.0000   63.800   14.583  ?   ?    22.462   2.8110 0.000000 2.810987 
1 1 1   25   24   20 o   18.949   2.7544   45.600   11.964   0.0000   0.0000   45.600   11.964  ?   ?    18.949   2.7544 0.000000 2.754366 
1 1 1   25   24   21 o   2.9918   1.4145  -3.0000   2.6368   0.0000   0.0000  -3.0000   2.6368  ?   ?    2.9918   1.4145 0.000000 1.414482 
1 1 1   25   24   22 o   12.625   2.7587   20.800   7.9943   0.0000   0.0000   20.800   7.9943  ?   ?    12.625   2.7587 0.000000 2.758695 
1 1 1   25   24   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   24   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25    0 o   4.3286   2.3274   3.2000   3.2861   3.2000   3.2861   3.2000   3.2861   4.3286   2.3274   4.3286   2.3274 0.000000 0.000000 
1 1 1   25   25    1 o   17.453   1.7446   36.875   7.0934   48.400   10.042   25.400   10.021   19.896   2.1729   14.071   3.0997 5.824852 3.785398 
1 1 1   25   25    2 o   19.778   1.8198   47.356   8.4035   48.400   11.851   46.300   11.918   19.748   2.6051   19.277   2.6915 0.4707699 3.745737 
1 1 1   25   25    3 o   5.9045   1.7275   4.2585   2.5616   4.8000   3.5951   3.7000   3.6509   6.3975   2.0786   5.9084   2.0921 0.4890742 2.949181 
1 1 1   25   25    4 o   46.011   2.8972  262.129   31.317  278.700   44.317  245.600   44.261   46.412   4.0852   43.262   4.3936 3.150429 5.999409 
1 1 1   25   25    5 o   11.498   1.6532   16.151   4.3596   24.300   6.3536   8.9000   5.9929   14.071   1.9659   8.5306   2.6742 5.540417 3.319049 
1 1 1   25   25    6 o   13.070   1.6597   20.790   5.0070   26.000   7.1224   15.700   7.0403   14.512   2.1430   11.094   2.7105 3.417199 3.455291 
1 1 1   25   25    7 o   37.061   2.4967  168.564   21.723  165.400   30.791  171.700   30.651   35.932   3.6809   36.688   3.5838 -0.7562065 5.137425 
1 1 1   25   25    8 o   7.8366   1.7770   7.6675   3.2127   5.3000   4.6115   9.9000   4.4782   6.8614   2.3566   8.8668   2.1590 -2.005363 3.196028 
1 1 1   25   25    9 o   2.0250   0.9568  -1.3959   1.2034  -3.8000   2.1507  -0.3000   1.4520   2.4216   1.1782   2.7302   1.1920 -0.3086116 1.676063 
1 1 1   25   25   10 o   17.830   1.6402   38.448   6.8284   49.500   9.7954   28.000   9.5239   20.112   2.0932   14.832   2.8224 5.280107 3.513884 
1 1 1   25   25   11 o   14.718   1.8359   26.481   6.2418   23.400   9.2081   29.100   8.4900   13.478   2.9730   15.254   2.4392 -1.775460 3.845556 
1 1 1   25   25   12 o   33.598   3.4456  144.300   26.950   0.0000   0.0000  144.300   26.950  ?   ?    33.598   3.4456 0.000000 3.445592 
1 1 1   25   25   13 o   22.563   2.8003   63.900   14.599   0.0000   0.0000   63.900   14.599  ?   ?    22.563   2.8003 0.000000 2.800267 
1 1 1   25   25   14 o   27.237   3.0358   93.700   19.193   0.0000   0.0000   93.700   19.193  ?   ?    27.237   3.0358 0.000000 3.035803 
1 1 1   25   25   15 o   23.167   2.8303   67.500   15.162   0.0000   0.0000   67.500   15.162  ?   ?    23.167   2.8303 0.000000 2.830321 
1 1 1   25   25   16 o   21.269   2.7376   56.900   13.430   0.0000   0.0000   56.900   13.430  ?   ?    21.269   2.7376 0.000000 2.737617 
1 1 1   25   25   17 o   9.7733   2.4514   12.200   5.6475   0.0000   0.0000   12.200   5.6475  ?   ?    9.7733   2.4514 0.000000 2.451370 
1 1 1   25   25   18 o   21.083   2.7634   56.200   13.426   0.0000   0.0000   56.200   13.426  ?   ?    21.083   2.7634 0.000000 2.763373 
1 1 1   25   25   19 o   17.919   2.7584   40.900   11.297   0.0000   0.0000   40.900   11.297  ?   ?    17.919   2.7584 0.000000 2.758420 
1 1 1   25   25   20 o   6.9590   2.4916   5.3000   5.1920   0.0000   0.0000   5.3000   5.1920  ?   ?    6.9590   2.4916 0.000000 2.491606 
1 1 1   25   25   21 o   7.7677   2.4590   7.5000   5.0556   0.0000   0.0000   7.5000   5.0556  ?   ?    7.7677   2.4590 0.000000 2.459045 
1 1 1   25   25   22 o   14.851   2.6850   28.700   9.0693   0.0000   0.0000   28.700   9.0693  ?   ?    14.851   2.6850 0.000000 2.685000 
1 1 1   25   25   23 o   14.681   2.8257   28.600   9.4404   0.0000   0.0000   28.600   9.4404  ?   ?    14.681   2.8257 0.000000 2.825720 
1 1 1   25   25   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   25   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26    0 o   3.4216   2.0931   1.2000   3.2247   1.2000   3.2247   1.2000   3.2247   3.4216   2.0931   3.4216   2.0931 0.000000 0.000000 
1 1 1   25   26    1 o   30.171   2.1846  110.903   15.459  116.100   21.856  105.700   21.869   30.420   3.0853   28.916   3.2596 1.504076 4.488184 
1 1 1   25   26    2 o   23.743   1.9411   68.402   10.788   69.500   15.240   67.300   15.272   23.606   2.7879   23.199   2.8476 0.4073143 3.985139 
1 1 1   25   26    3 o   29.346   2.1562  104.882   14.837  106.600   21.092  103.200   20.875   29.115   3.1163   28.630   3.1392 0.4851704 4.423319 
1 1 1   25   26    4 o   24.869   1.9762   75.090   11.509   70.000   16.261   80.200   16.293   23.597   2.9850   25.384   2.7627 -1.787203 4.067305 
1 1 1   25   26    5 o   18.707   1.8740   42.553   8.1669   31.700   11.633   53.100   11.468   15.659   3.2523   20.745   2.3845 -5.085549 4.032761 
1 1 1   25   26    6 o   22.658   1.8894   62.289   10.017   66.300   14.372   58.500   13.968   23.075   2.6879   21.610   2.8034 1.465158 3.883807 
1 1 1   25   26    7 o   17.308   1.6954   36.304   6.8402   44.200   9.8332   28.900   9.5214   18.945   2.2415   15.092   2.7739 3.852975 3.566299 
1 1 1   25   26    8 o   10.565   1.7700   13.772   4.2596   9.4000   5.9721   18.300   6.0773   8.7009   2.6601   12.098   2.2087 -3.397101 3.457561 
1 1 1   25   26    9 o   15.651   1.6868   29.746   6.1353   37.000   8.7403   22.700   8.6144   17.326   2.1849   13.315   2.8272 4.010630 3.573078 
1 1 1   25   26   10 o  ?   ?   -3.8827   0.6387   0.7000   2.5099  -4.2000   0.6605   4.0347   1.6528  ?   ?  0.000000 1.652754 
1 1 1   25   26   11 o   30.936   3.2606  121.600   23.460   0.0000   0.0000  121.600   23.460  ?   ?    30.936   3.2606 0.000000 3.260573 
1 1 1   25   26   12 o   11.084   2.4459   15.600   6.2300   0.0000   0.0000   15.600   6.2300  ?   ?    11.084   2.4459 0.000000 2.445869 
1 1 1   25   26   13 o   16.432   2.5563   33.900   9.5965   0.0000   0.0000   33.900   9.5965  ?   ?    16.432   2.5563 0.000000 2.556313 
1 1 1   25   26   14 o   25.893   2.9635   84.700   17.793   0.0000   0.0000   84.700   17.793  ?   ?    25.893   2.9635 0.000000 2.963512 
1 1 1   25   26   15 o   17.713   2.6116   39.500   10.596   0.0000   0.0000   39.500   10.596  ?   ?    17.713   2.6116 0.000000 2.611647 
1 1 1   25   26   16 o   14.534   2.5029   26.700   8.2796   0.0000   0.0000   26.700   8.2796  ?   ?    14.534   2.5029 0.000000 2.502869 
1 1 1   25   26   17 o   15.844   2.5880   31.800   9.3483   0.0000   0.0000   31.800   9.3483  ?   ?    15.844   2.5880 0.000000 2.588010 
1 1 1   25   26   18 o   26.423   3.0633   89.600   18.758   0.0000   0.0000   89.600   18.758  ?   ?    26.423   3.0633 0.000000 3.063304 
1 1 1   25   26   19 o   6.6087   2.3814   4.7000   4.7499   0.0000   0.0000   4.7000   4.7499  ?   ?    6.6087   2.3814 0.000000 2.381378 
1 1 1   25   26   20 o   19.257   2.8172   47.900   12.431   0.0000   0.0000   47.900   12.431  ?   ?    19.257   2.8172 0.000000 2.817164 
1 1 1   25   26   21 o   15.075   2.7252   29.700   9.3441   0.0000   0.0000   29.700   9.3441  ?   ?    15.075   2.7252 0.000000 2.725173 
1 1 1   25   26   22 o   10.247   2.6931   14.000   6.6019   0.0000   0.0000   14.000   6.6019  ?   ?    10.247   2.6931 0.000000 2.693068 
1 1 1   25   26   23 o   20.647   2.9178   56.900   13.830   0.0000   0.0000   56.900   13.830  ?   ?    20.647   2.9178 0.000000 2.917821 
1 1 1   25   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   26   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27    0 o   35.918   3.5838  162.400   29.702  162.400   29.702  162.400   29.702   35.918   3.5838   35.918   3.5838 0.000000 0.000000 
1 1 1   25   27    1 o   15.040   1.7100   27.505   5.9650   29.200   8.4244   25.800   8.4473   15.296   2.4123   14.299   2.5974 0.9966345 3.544796 
1 1 1   25   27    2 o   42.348   2.7218  221.920   27.073  232.900   38.340  211.000   38.235   42.420   3.8702   40.163   4.0885 2.256805 5.629728 
1 1 1   25   27    3 o   17.371   1.8225   36.709   7.3640   32.600   10.560   40.600   10.275   16.003   2.9012   18.066   2.4735 -2.062635 3.812536 
1 1 1   25   27    4 o   24.596   1.9749   73.546   11.374   75.900   16.278   71.300   15.898   24.616   2.8533   23.836   2.8831 0.7800770 4.056292 
1 1 1   25   27    5 o   31.238   2.2815  119.424   16.713  112.900   23.771  125.800   23.502   29.709   3.4528   31.543   3.1995 -1.833925 4.707302 
1 1 1   25   27    6 f   15.138   1.6199   27.786   5.7005   36.400   8.3014   20.100   7.8417   17.216   2.0845   12.544   2.7253 4.672094 3.431135 
1 1 1   25   27    7 o   3.9711   1.5667   1.0724   2.1663  -1.7000   3.5617   2.7000   2.7291   3.9902   1.7968   5.0823   1.8078 -1.092160 2.548839 
1 1 1   25   27    8 o   21.245   1.9119   54.911   9.4889   51.800   13.556   57.900   13.287   20.242   2.9206   21.530   2.6708 -1.288624 3.957632 
1 1 1   25   27    9 o   5.3462   1.9019   3.0000   3.0205   0.0000   0.0000   3.0000   3.0205  ?   ?    5.3462   1.9019 0.000000 1.901880 
1 1 1   25   27   10 o   28.534   3.1164  103.000   20.657   0.0000   0.0000  103.000   20.657  ?   ?    28.534   3.1164 0.000000 3.116417 
1 1 1   25   27   11 o   1.9658   0.9401  -1.7000   1.2329   0.0000   0.0000  -1.7000   1.2329  ?   ?    1.9658   0.9401 0.000000 0.9400570 
1 1 1   25   27   12 o   11.001   2.4461   15.400   6.1899   0.0000   0.0000   15.400   6.1899  ?   ?    11.001   2.4461 0.000000 2.446139 
1 1 1   25   27   13 o   17.430   2.5791   38.200   10.295   0.0000   0.0000   38.200   10.295  ?   ?    17.430   2.5791 0.000000 2.579105 
1 1 1   25   27   14 o   18.570   2.6160   43.400   11.154   0.0000   0.0000   43.400   11.154  ?   ?    18.570   2.6160 0.000000 2.616002 
1 1 1   25   27   15 o   15.681   2.5631   31.100   9.1630   0.0000   0.0000   31.100   9.1630  ?   ?    15.681   2.5631 0.000000 2.563107 
1 1 1   25   27   16 o   16.352   2.5831   33.900   9.6428   0.0000   0.0000   33.900   9.6428  ?   ?    16.352   2.5831 0.000000 2.583096 
1 1 1   25   27   17 o   8.7543   2.4240   9.8000   5.1821   0.0000   0.0000   9.8000   5.1821  ?   ?    8.7543   2.4240 0.000000 2.423986 
1 1 1   25   27   18 o   25.310   3.0950   83.200   18.112   0.0000   0.0000   83.200   18.112  ?   ?    25.310   3.0950 0.000000 3.094954 
1 1 1   25   27   19 o   20.789   2.9009   56.200   13.853   0.0000   0.0000   56.200   13.853  ?   ?    20.789   2.9009 0.000000 2.900922 
1 1 1   25   27   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   21 o   4.6010   1.9934  -0.2000   3.9957   0.0000   0.0000  -0.2000   3.9957  ?   ?    4.6010   1.9934 0.000000 1.993358 
1 1 1   25   27   22 o   16.086   2.7867   34.600   10.202   0.0000   0.0000   34.600   10.202  ?   ?    16.086   2.7867 0.000000 2.786665 
1 1 1   25   27   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   27   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28    0 o   5.3106   2.6723   5.0000   4.1312   5.0000   4.1312   5.0000   4.1312   5.3106   2.6723   5.3106   2.6723 0.000000 0.000000 
1 1 1   25   28    1 o   51.689   3.2406  336.799   39.354  327.900   55.652  345.700   55.658   49.122   4.8617   50.647   4.7076 -1.525558 6.767404 
1 1 1   25   28    2 o   27.003   2.1016   88.908   13.295   82.000   18.881   95.700   18.724   25.395   3.2210   27.631   2.9136 -2.235531 4.343275 
1 1 1   25   28    3 o   31.119   2.1799  118.195   15.917  126.600   22.655  110.000   22.369   31.722   3.0624   29.424   3.2751 2.298504 4.483768 
1 1 1   25   28    4 o   13.443   1.7024   22.044   5.2832   22.900   7.4999   21.200   7.4436   13.494   2.4437   12.947   2.5254 0.5468655 3.514203 
1 1 1   25   28    5 o   22.335   1.7976   60.437   9.4002   78.800   13.391   42.600   13.198   25.345   2.2613   18.213   3.1848 7.131948 3.905928 
1 1 1   25   28    6 f   4.9303   1.6758   2.7104   2.3314  -3.0000   3.3300   8.2000   3.2650   3.5260   1.6420   8.1054   1.7566 -4.579457 2.404526 
1 1 1   25   28    7 o   19.280   1.9422   45.348   8.7216   40.800   12.792   49.300   11.923   17.820   3.1554   19.867   2.6042 -2.047226 4.091211 
1 1 1   25   28    8 o   23.726   2.8916   70.900   15.865   0.0000   0.0000   70.900   15.865  ?   ?    23.726   2.8916 0.000000 2.891597 
1 1 1   25   28    9 o   40.859   4.0037  219.400   38.132   0.0000   0.0000  219.400   38.132  ?   ?    40.859   4.0037 0.000000 4.003714 
1 1 1   25   28   10 o   31.848   3.3328  129.800   24.693   0.0000   0.0000  129.800   24.693  ?   ?    31.848   3.3328 0.000000 3.332793 
1 1 1   25   28   11 o   33.048   3.4522  140.700   26.542   0.0000   0.0000  140.700   26.542  ?   ?    33.048   3.4522 0.000000 3.452202 
1 1 1   25   28   12 o   5.2771   1.9213   2.8000   3.1034   0.0000   0.0000   2.8000   3.1034  ?   ?    5.2771   1.9213 0.000000 1.921291 
1 1 1   25   28   13 o   23.250   2.8699   68.500   15.422   0.0000   0.0000   68.500   15.422  ?   ?    23.250   2.8699 0.000000 2.869904 
1 1 1   25   28   14 o   11.414   2.4992   16.700   6.5493   0.0000   0.0000   16.700   6.5493  ?   ?    11.414   2.4992 0.000000 2.499230 
1 1 1   25   28   15 o   12.070   2.5140   18.700   6.9327   0.0000   0.0000   18.700   6.9327  ?   ?    12.070   2.5140 0.000000 2.514047 
1 1 1   25   28   16 o   17.911   2.6706   41.000   10.950   0.0000   0.0000   41.000   10.950  ?   ?    17.911   2.6706 0.000000 2.670584 
1 1 1   25   28   17 o   19.739   2.7367   50.100   12.413   0.0000   0.0000   50.100   12.413  ?   ?    19.739   2.7367 0.000000 2.736708 
1 1 1   25   28   18 o   36.519   3.9632  185.600   33.628   0.0000   0.0000  185.600   33.628  ?   ?    36.519   3.9632 0.000000 3.963197 
1 1 1   25   28   19 o   11.656   2.6485   18.000   7.1242   0.0000   0.0000   18.000   7.1242  ?   ?    11.656   2.6485 0.000000 2.648549 
1 1 1   25   28   20 o   15.094   2.7780   30.300   9.5364   0.0000   0.0000   30.300   9.5364  ?   ?    15.094   2.7780 0.000000 2.778009 
1 1 1   25   28   21 o   23.262   3.1173   73.800   16.692   0.0000   0.0000   73.800   16.692  ?   ?    23.262   3.1173 0.000000 3.117267 
1 1 1   25   28   22 o   6.7476   2.3896   5.4000   4.7630   0.0000   0.0000   5.4000   4.7630  ?   ?    6.7476   2.3896 0.000000 2.389580 
1 1 1   25   28   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   28   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   29    0 o   40.731   3.9362  210.600   37.047  210.600   37.047  210.600   37.047   40.731   3.9362   40.731   3.9362 0.000000 0.000000 
1 1 1   25   29    1 o   12.493   1.7748   19.147   5.0885   18.000   7.3557   20.200   7.0466   11.858   2.6889   12.645   2.4484 -0.7874947 3.636595 
1 1 1   25   29    2 o   34.827   2.4073  149.158   19.676  152.600   27.793  145.700   27.859   34.518   3.4561   33.644   3.5608 0.8747215 4.962286 
1 1 1   25   29    3 o   13.521   1.7439   22.350   5.4381   21.000   7.6907   23.700   7.6907   12.843   2.6246   13.715   2.4654 -0.8719349 3.600918 
1 1 1   25   29    4 o   36.616   2.4656  165.224   21.194  168.800   30.082  161.700   29.865   36.208   3.5646   35.383   3.6257 0.8248634 5.084495 
1 1 1   25   29    5 o   11.815   1.7292   17.138   4.6816   18.700   6.7615   15.700   6.4884   12.151   2.4412   11.092   2.5328 1.058822 3.517728 
1 1 1   25   29    6 o   21.280   2.7361   56.900   13.430   0.0000   0.0000   56.900   13.430  ?   ?    21.280   2.7361 0.000000 2.736051 
1 1 1   25   29    7 o   31.567   3.3403  127.600   24.520   0.0000   0.0000  127.600   24.520  ?   ?    31.567   3.3403 0.000000 3.340310 
1 1 1   25   29    8 o   34.521   3.5389  154.000   28.440   0.0000   0.0000  154.000   28.440  ?   ?    34.521   3.5389 0.000000 3.538942 
1 1 1   25   29    9 o   13.299   2.4820   22.400   7.5076   0.0000   0.0000   22.400   7.5076  ?   ?    13.299   2.4820 0.000000 2.481950 
1 1 1   25   29   10 o   24.763   2.9227   77.700   16.761   0.0000   0.0000   77.700   16.761  ?   ?    24.763   2.9227 0.000000 2.922726 
1 1 1   25   29   11 o   16.380   2.5532   33.900   9.5534   0.0000   0.0000   33.900   9.5534  ?   ?    16.380   2.5532 0.000000 2.553193 
1 1 1   25   29   12 o   21.901   2.7860   60.900   14.082   0.0000   0.0000   60.900   14.082  ?   ?    21.901   2.7860 0.000000 2.786020 
1 1 1   25   29   13 o   7.2128   2.3983   6.2000   4.7757   0.0000   0.0000   6.2000   4.7757  ?   ?    7.2128   2.3983 0.000000 2.398320 
1 1 1   25   29   14 o   21.991   2.8309   62.000   14.359   0.0000   0.0000   62.000   14.359  ?   ?    21.991   2.8309 0.000000 2.830941 
1 1 1   25   29   15 o   26.087   3.0686   88.600   18.542   0.0000   0.0000   88.600   18.542  ?   ?    26.087   3.0686 0.000000 3.068611 
1 1 1   25   29   16 o   15.023   2.5911   29.200   8.8600   0.0000   0.0000   29.200   8.8600  ?   ?    15.023   2.5911 0.000000 2.591116 
1 1 1   25   29   17 o   6.6615   2.2996   5.2000   4.3941   0.0000   0.0000   5.2000   4.3941  ?   ?    6.6615   2.2996 0.000000 2.299614 
1 1 1   25   29   18 o   7.2158   2.4096   6.4000   4.8194   0.0000   0.0000   6.4000   4.8194  ?   ?    7.2158   2.4096 0.000000 2.409645 
1 1 1   25   29   19 o   10.057   2.6485   13.600   6.3769   0.0000   0.0000   13.600   6.3769  ?   ?    10.057   2.6485 0.000000 2.648533 
1 1 1   25   29   20 o   10.582   2.6017   15.100   6.4554   0.0000   0.0000   15.100   6.4554  ?   ?    10.582   2.6017 0.000000 2.601715 
1 1 1   25   29   21 o   11.843   2.7615   19.200   7.5804   0.0000   0.0000   19.200   7.5804  ?   ?    11.843   2.7615 0.000000 2.761513 
1 1 1   25   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   29   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   29   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   29   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   29   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   30    0 o   16.534   2.8685   35.800   10.189   35.800   10.189   35.800   10.189   16.534   2.8685   16.534   2.8685 0.000000 0.000000 
1 1 1   25   30    1 o   17.373   1.7729   36.750   7.1712   37.000   10.147   36.500   10.136   17.152   2.5858   17.026   2.6038 0.1258888 3.669654 
1 1 1   25   30    2 o   10.643   1.8093   14.026   4.3843   13.300   6.1047   14.800   6.3006   10.196   2.5438   10.761   2.5233 -0.5643101 3.583042 
1 1 1   25   30    3 o   3.0437   1.2886   0.0723   1.6003  -1.5000   2.0715   2.4000   2.5204   2.8937   1.3288   4.8336   1.7354 -1.939934 2.185731 
1 1 1   25   30    4 o   28.738   3.1548  105.200   21.057   0.0000   0.0000  105.200   21.057  ?   ?    28.738   3.1548 0.000000 3.154814 
1 1 1   25   30    5 o   6.4566   2.1769   4.8000   3.9338   0.0000   0.0000   4.8000   3.9338  ?   ?    6.4566   2.1769 0.000000 2.176935 
1 1 1   25   30    6 o   7.0081   2.2550   5.9000   4.2380   0.0000   0.0000   5.9000   4.2380  ?   ?    7.0081   2.2550 0.000000 2.254951 
1 1 1   25   30    7 o   47.510   4.6771  311.100   51.792   0.0000   0.0000  311.100   51.792  ?   ?    47.510   4.6771 0.000000 4.677113 
1 1 1   25   30    8 o   20.202   2.6973   51.600   12.546   0.0000   0.0000   51.600   12.546  ?   ?    20.202   2.6973 0.000000 2.697313 
1 1 1   25   30    9 o   6.9590   2.1949   5.9000   4.0306   0.0000   0.0000   5.9000   4.0306  ?   ?    6.9590   2.1949 0.000000 2.194872 
1 1 1   25   30   10 o   31.264   3.3567  127.200   24.393   0.0000   0.0000  127.200   24.393  ?   ?    31.264   3.3567 0.000000 3.356729 
1 1 1   25   30   11 o   21.500   2.7759   59.000   13.764   0.0000   0.0000   59.000   13.764  ?   ?    21.500   2.7759 0.000000 2.775863 
1 1 1   25   30   12 o   9.8468   2.3799   12.500   5.4724   0.0000   0.0000   12.500   5.4724  ?   ?    9.8468   2.3799 0.000000 2.379915 
1 1 1   25   30   13 o   31.670   3.4546  133.600   25.416   0.0000   0.0000  133.600   25.416  ?   ?    31.670   3.4546 0.000000 3.454614 
1 1 1   25   30   14 o   23.666   2.9595   73.200   16.177   0.0000   0.0000   73.200   16.177  ?   ?    23.666   2.9595 0.000000 2.959455 
1 1 1   25   30   15 o   11.890   2.5927   18.600   7.0742   0.0000   0.0000   18.600   7.0742  ?   ?    11.890   2.5927 0.000000 2.592717 
1 1 1   25   30   16 o   14.945   2.7774   29.600   9.4408   0.0000   0.0000   29.600   9.4408  ?   ?    14.945   2.7774 0.000000 2.777411 
1 1 1   25   30   17 o   8.0923   2.5175   8.5000   5.3224   0.0000   0.0000   8.5000   5.3224  ?   ?    8.0923   2.5175 0.000000 2.517459 
1 1 1   25   30   18 o   16.078   2.6872   34.400   9.8425   0.0000   0.0000   34.400   9.8425  ?   ?    16.078   2.6872 0.000000 2.687248 
1 1 1   25   30   19 o   31.114   3.6823  139.500   26.529   0.0000   0.0000  139.500   26.529  ?   ?    31.114   3.6823 0.000000 3.682278 
1 1 1   25   30   20 o   17.002   2.8381   39.300   10.993   0.0000   0.0000   39.300   10.993  ?   ?    17.002   2.8381 0.000000 2.838075 
1 1 1   25   30   21 o   16.054   2.8241   35.300   10.315   0.0000   0.0000   35.300   10.315  ?   ?    16.054   2.8241 0.000000 2.824073 
1 1 1   25   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   30   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   30   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   30   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   31    0 o   7.9238   2.9671   10.200   5.1799   10.200   5.1799   10.200   5.1799   7.9238   2.9671   7.9238   2.9671 0.000000 0.000000 
1 1 1   25   31    1 o   11.872   1.8021   17.411   4.8933   18.300   6.8800   16.500   6.9610   11.960   2.5158   11.309   2.6525 0.6510391 3.655866 
1 1 1   25   31    2 o   15.206   1.9294   28.490   6.7719   21.400   9.9533   34.600   9.2402   12.707   3.2910   16.594   2.4302 -3.886839 4.090985 
1 1 1   25   31    3 o   10.213   2.4981   13.400   5.9748   0.0000   0.0000   13.400   5.9748  ?   ?    10.213   2.4981 0.000000 2.498145 
1 1 1   25   31    4 o   10.874   2.5157   15.200   6.3314   0.0000   0.0000   15.200   6.3314  ?   ?    10.874   2.5157 0.000000 2.515662 
1 1 1   25   31    5 o   11.316   2.5735   16.500   6.7212   0.0000   0.0000   16.500   6.7212  ?   ?    11.316   2.5735 0.000000 2.573548 
1 1 1   25   31    6 o   24.037   2.9297   73.900   16.285   0.0000   0.0000   73.900   16.285  ?   ?    24.037   2.9297 0.000000 2.929686 
1 1 1   25   31    7 o   8.5012   2.4534   9.2000   5.1985   0.0000   0.0000   9.2000   5.1985  ?   ?    8.5012   2.4534 0.000000 2.453406 
1 1 1   25   31    8 o   9.1160   2.5218   10.700   5.6115   0.0000   0.0000   10.700   5.6115  ?   ?    9.1160   2.5218 0.000000 2.521776 
1 1 1   25   31    9 o   10.379   2.5626   14.000   6.2432   0.0000   0.0000   14.000   6.2432  ?   ?    10.379   2.5626 0.000000 2.562621 
1 1 1   25   31   10 o   7.6571   2.3015   7.4000   4.4981   0.0000   0.0000   7.4000   4.4981  ?   ?    7.6571   2.3015 0.000000 2.301518 
1 1 1   25   31   11 o   8.1680   2.4979   8.5000   5.2655   0.0000   0.0000   8.5000   5.2655  ?   ?    8.1680   2.4979 0.000000 2.497896 
1 1 1   25   31   12 o   24.795   3.0276   80.900   17.358   0.0000   0.0000   80.900   17.358  ?   ?    24.795   3.0276 0.000000 3.027562 
1 1 1   25   31   13 o   8.3740   2.4048   9.1000   5.0057   0.0000   0.0000   9.1000   5.0057  ?   ?    8.3740   2.4048 0.000000 2.404799 
1 1 1   25   31   14 o   5.8662   2.0954   3.8000   3.6699   0.0000   0.0000   3.8000   3.6699  ?   ?    5.8662   2.0954 0.000000 2.095379 
1 1 1   25   31   15 o   8.4394   2.7964   9.2000   6.4948   0.0000   0.0000   9.2000   6.4948  ?   ?    8.4394   2.7964 0.000000 2.796418 
1 1 1   25   31   16 o   14.984   2.7560   30.100   9.3923   0.0000   0.0000   30.100   9.3923  ?   ?    14.984   2.7560 0.000000 2.756044 
1 1 1   25   31   17 o   21.454   2.9808   62.500   14.693   0.0000   0.0000   62.500   14.693  ?   ?    21.454   2.9808 0.000000 2.980803 
1 1 1   25   31   18 o   16.868   2.7806   38.400   10.690   0.0000   0.0000   38.400   10.690  ?   ?    16.868   2.7806 0.000000 2.780604 
1 1 1   25   31   19 o   27.675   3.4192  109.200   21.869   0.0000   0.0000  109.200   21.869  ?   ?    27.675   3.4192 0.000000 3.419194 
1 1 1   25   31   20 f   9.5266   2.6845   12.500   6.2977   0.0000   0.0000   12.500   6.2977  ?   ?    9.5266   2.6845 0.000000 2.684458 
1 1 1   25   31   21 o   8.9676   2.5922   11.000   5.7990   0.0000   0.0000   11.000   5.7990  ?   ?    8.9676   2.5922 0.000000 2.592165 
1 1 1   25   31   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   31   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32    0 o   3.2702   1.9881   1.2000   2.8684   1.2000   2.8684   1.2000   2.8684   3.2702   1.9881   3.2702   1.9881 0.000000 0.000000 
1 1 1   25   32    1 o   10.606   2.4367   14.500   5.9742   0.0000   0.0000   14.500   5.9742  ?   ?    10.606   2.4367 0.000000 2.436696 
1 1 1   25   32    2 o   13.738   2.5301   24.200   7.9052   0.0000   0.0000   24.200   7.9052  ?   ?    13.738   2.5301 0.000000 2.530089 
1 1 1   25   32    3 f   24.521   2.9694   77.600   16.843   0.0000   0.0000   77.600   16.843  ?   ?    24.521   2.9694 0.000000 2.969404 
1 1 1   25   32    4 o   17.380   2.7335   38.900   10.848   0.0000   0.0000   38.900   10.848  ?   ?    17.380   2.7335 0.000000 2.733457 
1 1 1   25   32    5 o   30.671   3.3815  124.400   24.083   0.0000   0.0000  124.400   24.083  ?   ?    30.671   3.3815 0.000000 3.381509 
1 1 1   25   32    6 f   34.121   3.6897  157.300   29.255   0.0000   0.0000  157.300   29.255  ?   ?    34.121   3.6897 0.000000 3.689656 
1 1 1   25   32    7 o   34.660   3.7041  163.200   29.847   0.0000   0.0000  163.200   29.847  ?   ?    34.660   3.7041 0.000000 3.704113 
1 1 1   25   32    8 o   26.543   3.1125   92.800   19.138   0.0000   0.0000   92.800   19.138  ?   ?    26.543   3.1125 0.000000 3.112510 
1 1 1   25   32    9 o   24.107   3.0263   76.600   16.848   0.0000   0.0000   76.600   16.848  ?   ?    24.107   3.0263 0.000000 3.026344 
1 1 1   25   32   10 o   27.735   3.2383  103.000   20.809   0.0000   0.0000  103.000   20.809  ?   ?    27.735   3.2383 0.000000 3.238280 
1 1 1   25   32   11 o   11.898   2.6749   18.800   7.3326   0.0000   0.0000   18.800   7.3326  ?   ?    11.898   2.6749 0.000000 2.674929 
1 1 1   25   32   12 o   11.613   2.7241   18.100   7.3410   0.0000   0.0000   18.100   7.3410  ?   ?    11.613   2.7241 0.000000 2.724117 
1 1 1   25   32   13 o   6.6723   2.4530   4.9000   5.0765   0.0000   0.0000   4.9000   5.0765  ?   ?    6.6723   2.4530 0.000000 2.453039 
1 1 1   25   32   14 o   27.092   3.3066  101.400   20.714   0.0000   0.0000  101.400   20.714  ?   ?    27.092   3.3066 0.000000 3.306577 
1 1 1   25   32   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   32   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33    2 o   22.051   2.9549   63.800   14.999   0.0000   0.0000   63.800   14.999  ?   ?    22.051   2.9549 0.000000 2.954889 
1 1 1   25   33    3 o   18.232   2.7456   43.300   11.454   0.0000   0.0000   43.300   11.454  ?   ?    18.232   2.7456 0.000000 2.745561 
1 1 1   25   33    4 o   4.0591   1.7240   0.2000   2.8792   0.0000   0.0000   0.2000   2.8792  ?   ?    4.0591   1.7240 0.000000 1.723962 
1 1 1   25   33    5 o   31.152   3.4653  131.600   25.059   0.0000   0.0000  131.600   25.059  ?   ?    31.152   3.4653 0.000000 3.465285 
1 1 1   25   33    6 o   9.3066   2.5833   11.400   5.8780   0.0000   0.0000   11.400   5.8780  ?   ?    9.3066   2.5833 0.000000 2.583286 
1 1 1   25   33    7 o   21.304   2.9038   59.900   14.227   0.0000   0.0000   59.900   14.227  ?   ?    21.304   2.9038 0.000000 2.903782 
1 1 1   25   33    8 o   8.2298   2.4801   8.8000   5.2182   0.0000   0.0000   8.8000   5.2182  ?   ?    8.2298   2.4801 0.000000 2.480099 
1 1 1   25   33    9 o   22.704   2.9423   68.700   15.404   0.0000   0.0000   68.700   15.404  ?   ?    22.704   2.9423 0.000000 2.942322 
1 1 1   25   33   10 o   16.825   2.8521   37.900   10.927   0.0000   0.0000   37.900   10.927  ?   ?    16.825   2.8521 0.000000 2.852061 
1 1 1   25   33   11 o   13.005   2.7007   22.700   8.0225   0.0000   0.0000   22.700   8.0225  ?   ?    13.005   2.7007 0.000000 2.700741 
1 1 1   25   33   12 o   13.325   2.7142   23.900   8.2503   0.0000   0.0000   23.900   8.2503  ?   ?    13.325   2.7142 0.000000 2.714249 
1 1 1   25   33   13 o   5.1263   2.1683   0.8000   4.5243   0.0000   0.0000   0.8000   4.5243  ?   ?    5.1263   2.1683 0.000000 2.168262 
1 1 1   25   33   14 o   10.634   2.6543   15.400   6.6443   0.0000   0.0000   15.400   6.6443  ?   ?    10.634   2.6543 0.000000 2.654316 
1 1 1   25   33   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   33   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34    4 o   26.189   3.3194   93.900   20.067   0.0000   0.0000   93.900   20.067  ?   ?    26.189   3.3194 0.000000 3.319422 
1 1 1   25   34    5 o   19.867   2.8743   52.600   13.093   0.0000   0.0000   52.600   13.093  ?   ?    19.867   2.8743 0.000000 2.874336 
1 1 1   25   34    6 o   28.813   3.3904  114.700   22.626   0.0000   0.0000  114.700   22.626  ?   ?    28.813   3.3904 0.000000 3.390367 
1 1 1   25   34    7 o   18.136   2.7487   43.700   11.402   0.0000   0.0000   43.700   11.402  ?   ?    18.136   2.7487 0.000000 2.748673 
1 1 1   25   34    8 o   7.8421   2.3925   8.0000   4.8344   0.0000   0.0000   8.0000   4.8344  ?   ?    7.8421   2.3925 0.000000 2.392534 
1 1 1   25   34    9 o   13.810   2.8859   26.000   9.1081   0.0000   0.0000   26.000   9.1081  ?   ?    13.810   2.8859 0.000000 2.885909 
1 1 1   25   34   10 o   13.292   2.7446   23.900   8.3288   0.0000   0.0000   23.900   8.3288  ?   ?    13.292   2.7446 0.000000 2.744587 
1 1 1   25   34   11 o   12.526   2.8590   21.600   8.2703   0.0000   0.0000   21.600   8.2703  ?   ?    12.526   2.8590 0.000000 2.859002 
1 1 1   25   34   12 o   19.555   2.9236   52.100   13.086   0.0000   0.0000   52.100   13.086  ?   ?    19.555   2.9236 0.000000 2.923578 
1 1 1   25   34   13 o   14.268   2.7466   27.700   8.9182   0.0000   0.0000   27.700   8.9182  ?   ?    14.268   2.7466 0.000000 2.746589 
1 1 1   25   34   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   34   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35    7 o   7.1727   2.4966   6.3000   5.1842   0.0000   0.0000   6.3000   5.1842  ?   ?    7.1727   2.4966 0.000000 2.496588 
1 1 1   25   35    8 o   9.3949   2.6938   12.000   6.2854   0.0000   0.0000   12.000   6.2854  ?   ?    9.3949   2.6938 0.000000 2.693763 
1 1 1   25   35    9 o   10.844   2.7871   16.200   7.1758   0.0000   0.0000   16.200   7.1758  ?   ?    10.844   2.7871 0.000000 2.787094 
1 1 1   25   35   10 o   7.9885   2.5553   8.4000   5.4485   0.0000   0.0000   8.4000   5.4485  ?   ?    7.9885   2.5553 0.000000 2.555346 
1 1 1   25   35   11 o   4.1050   1.8686  -2.0000   3.9800   0.0000   0.0000  -2.0000   3.9800  ?   ?    4.1050   1.8686 0.000000 1.868623 
1 1 1   25   35   12 o   13.097   2.7643   23.500   8.2806   0.0000   0.0000   23.500   8.2806  ?   ?    13.097   2.7643 0.000000 2.764337 
1 1 1   25   35   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   35   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36    9 o   4.2087   1.8904  -1.4000   3.9144   0.0000   0.0000  -1.4000   3.9144  ?   ?    4.2087   1.8904 0.000000 1.890427 
1 1 1   25   36   10 o   7.6405   2.5638   7.5000   5.4559   0.0000   0.0000   7.5000   5.4559  ?   ?    7.6405   2.5638 0.000000 2.563782 
1 1 1   25   36   11 o   8.9247   2.7823   10.900   6.4971   0.0000   0.0000   10.900   6.4971  ?   ?    8.9247   2.7823 0.000000 2.782268 
1 1 1   25   36   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   36   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   37    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   38    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   38    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   25   38    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0    0 o   31.512   3.3535  122.100   24.243  122.100   24.243  122.100   24.243   31.512   3.3535   31.512   3.3535 0.000000 0.000000 
1 1 1   26    0    1 o   94.938   5.3145  1118.14  118.288  1118.14  118.288  1118.14  118.288   94.938   5.3145   94.938   5.3145 0.000000 0.000000 
1 1 1   26    0    2 f   23.267   1.9962   65.683   10.782   65.683   10.782   65.683   10.782   23.267   1.9962   23.267   1.9962 0.000000 0.000000 
1 1 1   26    0    3 o   21.339   1.8267   55.197   9.0492   55.197   9.0492   55.197   9.0492   21.339   1.8267   21.339   1.8267 0.000000 0.000000 
1 1 1   26    0    4 o   30.098   2.1985  109.434   15.434  109.434   15.434  109.434   15.434   30.098   2.1985   30.098   2.1985 0.000000 0.000000 
1 1 1   26    0    5 o   36.145   2.4513  157.779   20.701  157.779   20.701  157.779   20.701   36.145   2.4513   36.145   2.4513 0.000000 0.000000 
1 1 1   26    0    6 o   41.264   2.6848  205.801   25.906  205.801   25.906  205.801   25.906   41.264   2.6848   41.264   2.6848 0.000000 0.000000 
1 1 1   26    0    7 o   42.124   2.7174  214.514   26.771  214.514   26.771  214.514   26.771   42.124   2.7174   42.124   2.7174 0.000000 0.000000 
1 1 1   26    0    8 o   71.421   4.1820  625.209   69.976  625.209   69.976  625.209   69.976   71.421   4.1820   71.421   4.1820 0.000000 0.000000 
1 1 1   26    0    9 o   30.737   2.2391  114.217   16.054  114.217   16.054  114.217   16.054   30.737   2.2391   30.737   2.2391 0.000000 0.000000 
1 1 1   26    0   10 o   2.6220   1.6516   0.3658   2.1591   0.3658   2.1591   0.3658   2.1591   2.6220   1.6516   2.6220   1.6516 0.000000 0.000000 
1 1 1   26    0   11 o   41.601   3.9673  215.100   38.158  215.100   38.158  215.100   38.158   41.601   3.9673   41.601   3.9673 0.000000 0.000000 
1 1 1   26    0   12 o   20.156   1.8902   49.504   8.8147   49.504   8.8147   49.504   8.8147   20.156   1.8902   20.156   1.8902 0.000000 0.000000 
1 1 1   26    0   13 o   24.763   2.0457   74.388   11.774   74.388   11.774   74.388   11.774   24.763   2.0457   24.763   2.0457 0.000000 0.000000 
1 1 1   26    0   14 o   83.009   4.7298  853.910   92.022  853.910   92.022  853.910   92.022   83.009   4.7298   83.009   4.7298 0.000000 0.000000 
1 1 1   26    0   15 o   25.371   2.0337   78.011   12.004   78.011   12.004   78.011   12.004   25.371   2.0337   25.371   2.0337 0.000000 0.000000 
1 1 1   26    0   16 o   1.4967   1.0747  -3.0525   1.8191  -3.0525   1.8191  -3.0525   1.8191   1.4967   1.0747   1.4967   1.0747 0.000000 0.000000 
1 1 1   26    0   17 o   4.4208   2.2449   3.4168   2.9307   3.4168   2.9307   3.4168   2.9307   4.4208   2.2449   4.4208   2.2449 0.000000 0.000000 
1 1 1   26    0   18 o   39.595   2.5072  189.603   23.226  189.603   23.226  189.603   23.226   39.595   2.5072   39.595   2.5072 0.000000 0.000000 
1 1 1   26    0   19 o  ?   ?   -8.7333   0.8375  -8.7333   0.8375  -8.7333   0.8375  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   26    0   20 o   18.707   1.8653   42.857   8.0521   42.857   8.0521   42.857   8.0521   18.707   1.8653   18.707   1.8653 0.000000 0.000000 
1 1 1   26    0   21 f   1.0356   0.7511  -2.0722   1.0025  -2.0722   1.0025  -2.0722   1.0025   1.0356   0.7511   1.0356   0.7511 0.000000 0.000000 
1 1 1   26    0   22 o   66.252   3.5330  539.602   54.913  539.602   54.913  539.602   54.913   66.252   3.5330   66.252   3.5330 0.000000 0.000000 
1 1 1   26    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   24 o  ?   ?   -5.4000   0.7323  -5.4000   0.7323  -5.4000   0.7323  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   26    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    0   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1    0 o   38.615   3.7038  184.300   33.059  184.300   33.059  184.300   33.059   38.615   3.7038   38.615   3.7038 0.000000 0.000000 
1 1 1   26    1    1 o   17.894   1.7617   38.510   7.3472   39.500   10.341   37.500   10.440   17.961   2.5066   17.465   2.6117 0.4952297 3.619978 
1 1 1   26    1    2 o   41.243   2.6182  205.718   25.367  234.500   35.894  177.000   35.854   43.644   3.5127   37.595   4.1055 6.048489 5.403112 
1 1 1   26    1    3 o   25.008   1.9719   75.150   11.550   79.300   16.334   71.000   16.334   25.487   2.7581   24.047   2.9377 1.439722 4.029506 
1 1 1   26    1    4 o   30.348   2.0852  110.688   14.852   91.900   20.915  129.800   21.094   27.263   3.3171   32.669   2.7602 -5.405663 4.315352 
1 1 1   26    1    5 o   43.763   2.7192  232.137   27.962  265.600   39.581  198.800   39.507   46.357   3.6452   39.730   4.2785 6.626682 5.620780 
1 1 1   26    1    6 o   16.908   1.7151   34.403   6.7530   36.400   9.6667   32.500   9.4378   17.237   2.4433   16.245   2.5438 0.9922905 3.527144 
1 1 1   26    1    7 o   14.818   1.7105   26.505   5.8753   26.300   8.4120   26.700   8.2096   14.578   2.5357   14.713   2.4491 -0.1342373 3.525315 
1 1 1   26    1    8 o   50.149   3.0654  306.987   36.125  328.900   51.105  285.100   51.074   51.144   4.2706   47.347   4.6273 3.796997 6.296824 
1 1 1   26    1    9 o   77.334   4.5747  757.179   83.169  706.600  117.594  807.800  117.643   71.498   7.0573   77.303   6.5052 -5.805664 9.598056 
1 1 1   26    1   10 o   57.174   3.3421  401.572   44.925  447.000   63.695  356.600   63.374   59.342   4.5809   52.464   5.1834 6.878780 6.917520 
1 1 1   26    1   11 f   64.796   3.4401  516.922   52.447  629.800   74.790  407.700   73.569   70.516   4.5152   55.592   5.6842 14.92377 7.259290 
1 1 1   26    1   12 o   34.771   2.2453  145.808   18.337  122.500   25.773  169.700   26.094   31.365   3.5419   37.231   2.9935 -5.865305 4.637447 
1 1 1   26    1   13 f   31.401   2.2285  119.009   16.417  122.900   23.191  115.100   23.243   31.577   3.1523   30.497   3.2791 1.079922 4.548575 
1 1 1   26    1   14 o   42.928   2.6790  224.033   27.022  237.600   38.310  210.600   38.120   43.622   3.7557   40.906   3.9975 2.716648 5.485053 
1 1 1   26    1   15 o   22.529   1.8635   61.085   9.8246   68.200   13.959   54.100   13.830   23.630   2.5416   20.915   2.8765 2.715460 3.838480 
1 1 1   26    1   16 o   36.250   2.4213  159.232   20.607  165.100   29.187  153.400   29.098   36.455   3.4309   35.061   3.5642 1.393902 4.947192 
1 1 1   26    1   17 o   27.348   2.0608   90.239   13.211   92.100   18.739   88.400   18.627   27.330   2.9505   26.750   3.0005 0.5792503 4.208158 
1 1 1   26    1   18 o   12.844   1.6473   20.000   4.8811   12.500   6.8151   27.900   6.9941   9.9860   2.7851   15.125   2.0079 -5.138821 3.433441 
1 1 1   26    1   19 o   80.459   4.8816  844.582   92.309  854.800  130.661  834.400  130.428   76.632   7.3092   75.518   7.4095 1.114075 10.40797 
1 1 1   26    1   20 f   28.413   2.1152   97.796   14.090   99.100   19.955   96.500   19.897   28.230   3.0415   27.836   3.0785 0.3934174 4.327603 
1 1 1   26    1   21 o   33.071   2.1937  132.720   17.034  158.200   24.200  107.700   23.980   35.775   2.8892   29.134   3.5598 6.641832 4.584716 
1 1 1   26    1   22 o   31.361   2.1113  119.369   15.544  140.200   22.219   99.400   21.754   33.651   2.8222   28.026   3.3538 5.624310 4.383230 
1 1 1   26    1   23 o   27.339   3.0370   93.800   19.275   0.0000   0.0000   93.800   19.275  ?   ?    27.339   3.0370 0.000000 3.036987 
1 1 1   26    1   24 o   17.613   2.5835   38.800   10.426   0.0000   0.0000   38.800   10.426  ?   ?    17.613   2.5835 0.000000 2.583511 
1 1 1   26    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    1   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2    0 f   29.268   3.1433  106.000   21.091  106.000   21.091  106.000   21.091   29.268   3.1433   29.268   3.1433 0.000000 0.000000 
1 1 1   26    2    1 o   20.612   1.8191   51.038   8.7629   47.700   12.371   54.400   12.415   19.707   2.7319   21.120   2.5403 -1.412804 3.730438 
1 1 1   26    2    2 f   52.867   3.1924  341.218   39.667  376.300   56.123  306.200   56.072   54.755   4.3772   48.987   4.9135 5.767654 6.580517 
1 1 1   26    2    3 o   21.694   1.8865   56.576   9.5678   54.300   13.611   58.800   13.452   21.022   2.8124   21.934   2.6510 -0.9126873 3.864918 
1 1 1   26    2    4 o   64.256   3.7216  509.787   56.226  549.500   79.732  470.500   79.302   65.384   5.2073   60.040   5.6603 5.343727 7.691250 
1 1 1   26    2    5 o   61.128   3.6271  460.626   52.122  472.100   73.787  449.200   73.636   60.562   5.2104   58.937   5.3493 1.624935 7.467525 
1 1 1   26    2    6 o   32.722   2.2784  129.066   17.495  133.800   24.701  124.300   24.783   32.993   3.2111   31.732   3.3586 1.261713 4.646662 
1 1 1   26    2    7 o   18.544   1.7815   41.376   7.7049   37.700   10.862   45.100   10.931   17.472   2.7214   19.211   2.4667 -1.739052 3.672932 
1 1 1   26    2    8 o   39.507   2.5624  188.941   23.775  195.100   33.648  182.800   33.598   39.664   3.6329   38.319   3.7617 1.345402 5.229553 
1 1 1   26    2    9 o   80.854   4.8060  833.460   91.345  781.600  129.194  885.300  129.168   74.613   7.4316   80.335   6.8753 -5.722221 10.12417 
1 1 1   26    2   10 o   60.871   3.6596  458.528   52.358  479.600   73.996  437.400   74.094   60.873   5.1976   57.828   5.4919 3.044743 7.561477 
1 1 1   26    2   11 o   68.543   4.0388  587.151   65.080  655.700   92.070  518.700   92.004   70.747   5.5559   61.933   6.3825 8.814316 8.461918 
1 1 1   26    2   12 o   47.240   2.9484  272.368   32.725  265.000   46.336  279.700   46.225   45.741   4.3421   47.102   4.2001 -1.361126 6.041087 
1 1 1   26    2   13 o   14.477   1.6689   25.307   5.6006   31.000   7.9509   19.700   7.8904   15.933   2.1697   12.520   2.7446 3.412992 3.498577 
1 1 1   26    2   14 o   10.406   1.7198   13.253   4.0782   18.400   5.8859   8.5000   5.6560   12.218   2.1168   8.3841   2.5930 3.833723 3.347325 
1 1 1   26    2   15 o   64.524   3.8016  519.050   57.668  558.300   81.659  480.000   81.450   65.286   5.3437   59.966   5.8256 5.320351 7.905225 
1 1 1   26    2   16 o   16.846   1.7496   34.246   6.8582   33.200   9.6810   35.300   9.7171   16.378   2.5893   16.921   2.5078 -0.5433979 3.604679 
1 1 1   26    2   17 o   14.999   1.7600   27.233   6.1150   21.200   8.7091   33.100   8.5879   12.945   2.9188   16.433   2.2740 -3.488463 3.700055 
1 1 1   26    2   18 o   38.498   2.5864  180.443   23.376  170.700   33.218  190.000   32.900   36.753   3.8865   38.960   3.6175 -2.206230 5.309504 
1 1 1   26    2   19 o   17.504   1.7513   37.003   7.1414   42.000   10.148   32.100   10.052   18.496   2.3786   16.023   2.7560 2.472755 3.640549 
1 1 1   26    2   20 o   56.283   3.3404  394.660   44.197  440.000   62.671  349.800   62.338   58.106   4.6053   51.083   5.2422 7.022392 6.977787 
1 1 1   26    2   21 o   16.182   1.7297   31.713   6.5069   34.200   9.2726   29.300   9.1334   16.618   2.4352   15.301   2.6221 1.316645 3.578552 
1 1 1   26    2   22 o   31.234   2.1725  118.617   15.923  143.700   22.579   93.800   22.459   34.060   2.8331   27.075   3.6023 6.985399 4.582928 
1 1 1   26    2   23 o   39.137   3.8313  197.300   34.954   0.0000   0.0000  197.300   34.954  ?   ?    39.137   3.8313 0.000000 3.831337 
1 1 1   26    2   24 o   34.516   3.5308  152.500   28.372   0.0000   0.0000  152.500   28.372  ?   ?    34.516   3.5308 0.000000 3.530830 
1 1 1   26    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    2   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3    0 o   20.481   2.7741   52.700   12.723   52.700   12.723   52.700   12.723   20.481   2.7741   20.481   2.7741 0.000000 0.000000 
1 1 1   26    3    1 o   52.683   3.1985  338.943   39.602  331.600   55.978  346.300   56.035   51.154   4.6862   52.364   4.5778 -1.209183 6.551086 
1 1 1   26    3    2 o   47.407   2.8825  272.978   32.115  306.700   45.501  239.500   45.336   49.693   3.9091   43.547   4.4723 6.145927 5.939927 
1 1 1   26    3    3 o   40.049   2.5741  193.968   24.214  207.100   34.286  180.900   34.202   40.944   3.5822   38.116   3.8529 2.828426 5.260886 
1 1 1   26    3    4 o   52.732   3.1827  339.721   39.445  354.700   55.838  324.800   55.729   53.015   4.5030   50.556   4.7228 2.458324 6.525505 
1 1 1   26    3    5 o   23.243   1.9084   64.927   10.382   70.100   14.715   59.800   14.650   23.971   2.6435   22.050   2.8828 1.921593 3.911364 
1 1 1   26    3    6 o   44.543   2.7929  240.891   29.228  235.900   41.298  245.900   41.370   43.413   4.0763   44.382   3.9901 -0.9687996 5.704132 
1 1 1   26    3    7 o   44.770   2.7872  243.413   29.320  231.800   41.400  255.100   41.530   42.982   4.1298   45.231   3.9273 -2.248390 5.699010 
1 1 1   26    3    8 o   22.503   1.9102   60.920   10.054   51.300   14.233   70.500   14.204   20.331   3.0596   24.058   2.5386 -3.727707 3.975630 
1 1 1   26    3    9 o   37.941   2.5011  174.199   22.282  173.900   31.481  174.500   31.541   37.425   3.6069   37.490   3.6074 -0.6461716E-01 5.101285 
1 1 1   26    3   10 f   61.910   3.6366  474.086   52.931  426.600   74.766  521.800   74.946   56.954   5.6331   63.679   5.0250 -6.724350 7.548689 
1 1 1   26    3   11 o   32.252   2.2372  125.479   16.933  134.800   23.973  116.200   23.920   33.120   3.1015   30.624   3.3632 2.495352 4.574923 
1 1 1   26    3   12 o   45.237   2.9005  249.584   30.820  285.600   43.535  213.400   43.636   47.811   3.8899   40.838   4.6055 6.972961 6.028374 
1 1 1   26    3   13 o   16.504   1.7229   32.837   6.6151   38.500   9.3663   27.200   9.3442   17.756   2.2870   14.752   2.7845 3.004014 3.603304 
1 1 1   26    3   14 o   22.518   1.9109   61.080   10.065   55.500   14.273   66.600   14.196   21.171   2.9339   23.325   2.6228 -2.154165 3.935337 
1 1 1   26    3   15 o   25.543   1.9896   78.604   11.906   81.000   16.824   76.200   16.851   25.679   2.8210   24.862   2.9263 0.8173695 4.064668 
1 1 1   26    3   16 o   3.9724   1.5452   1.1642   2.0823  -1.1000   3.0262   3.2000   2.8695   3.7934   1.6858   5.4109   1.8589 -1.617573 2.509441 
1 1 1   26    3   17 o   31.253   2.1907  118.012   16.065  138.700   22.740   97.400   22.699   33.620   2.8926   27.867   3.5285 5.752750 4.562586 
1 1 1   26    3   18 f   24.384   1.9676   71.750   11.233   61.800   15.886   81.700   15.886   22.257   3.1074   25.817   2.6430 -3.560932 4.079371 
1 1 1   26    3   19 o   9.2500   1.8643   10.610   3.9315   20.700   5.4788  -0.1000   5.6448   13.024   1.8321   5.5884   2.3946 7.435731 3.015087 
1 1 1   26    3   20 o   25.999   2.0205   81.800   12.307   81.800   17.409   81.800   17.400   25.664   2.9248   25.665   2.9234 -0.6160736E-03 4.135306 
1 1 1   26    3   21 o   26.504   1.9869   85.009   12.345   98.400   17.518   71.800   17.398   28.266   2.6557   23.898   3.1606 4.367855 4.128239 
1 1 1   26    3   22 o   22.151   1.7872   59.293   9.2685   76.700   13.227   42.500   12.992   25.050   2.2604   18.280   3.1218 6.770435 3.854211 
1 1 1   26    3   23 o   9.4535   2.3514   11.300   5.2273   0.0000   0.0000   11.300   5.2273  ?   ?    9.4535   2.3514 0.000000 2.351387 
1 1 1   26    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    3   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4    0 o   84.754   7.3259  934.300  144.096  934.300  144.096  934.300  144.096   84.754   7.3259   84.754   7.3259 0.000000 0.000000 
1 1 1   26    4    1 o   29.492   2.1233  104.630   14.688  119.400   20.786   89.900   20.759   31.295   2.8438   26.956   3.3322 4.339724 4.380777 
1 1 1   26    4    2 o   21.844   1.8705   57.351   9.5556   57.200   13.541   57.500   13.487   21.609   2.7135   21.672   2.6934 -0.6311226E-01 3.823300 
1 1 1   26    4    3 o   24.543   1.9613   72.405   11.272   74.900   15.924   69.900   15.957   24.751   2.7721   23.865   2.8905 0.8862648 4.004975 
1 1 1   26    4    4 o   61.026   3.6432  459.254   52.260  477.400   73.899  441.100   73.915   60.926   5.1859   58.326   5.4291 2.600658 7.507918 
1 1 1   26    4    5 o   32.817   2.2747  129.804   17.519  136.700   24.768  122.900   24.782   33.363   3.1825   31.542   3.3798 1.821005 4.642333 
1 1 1   26    4    6 o   51.360   3.1487  322.368   38.003  343.000   53.720  301.700   53.768   52.161   4.4026   48.658   4.7398 3.503189 6.469035 
1 1 1   26    4    7 o   36.097   2.4141  157.400   20.459  163.200   28.933  151.600   28.933   36.360   3.4097   34.968   3.5533 1.391453 4.924623 
1 1 1   26    4    8 o   34.187   2.3414  141.115   18.788  146.600   26.533  135.600   26.608   34.482   3.2989   33.084   3.4569 1.397923 4.778378 
1 1 1   26    4    9 o   28.218   2.0446   95.795   13.531   85.200   19.043  106.600   19.230   26.271   3.1314   29.547   2.7892 -3.276041 4.193481 
1 1 1   26    4   10 o   59.278   3.5453  433.827   49.398  425.900   69.757  441.800   69.963   57.316   5.2110   58.472   5.1187 -1.156071 7.304463 
1 1 1   26    4   11 o   46.431   2.8936  262.748   31.568  253.300   44.638  272.200   44.649   44.773   4.2740   46.541   4.1047 -1.768082 5.925846 
1 1 1   26    4   12 o   17.637   1.7858   37.501   7.3348   41.300   10.305   33.600   10.443   18.364   2.4364   16.439   2.7899 1.925259 3.704031 
1 1 1   26    4   13 o   36.211   2.4134  158.687   20.518  170.500   29.033  146.900   29.002   37.134   3.3469   34.310   3.6350 2.824383 4.941195 
1 1 1   26    4   14 o   12.012   1.6395   17.509   4.5288   14.800   6.3035   20.400   6.5108   10.863   2.5082   12.855   2.2254 -1.992105 3.353122 
1 1 1   26    4   15 f   42.561   2.7144  220.500   27.138  220.600   38.328  220.400   38.429   41.901   3.9192   41.873   3.9326 0.2762985E-01 5.552078 
1 1 1   26    4   16 o   26.912   2.0333   87.339   12.826   97.100   18.150   77.600   18.129   28.144   2.7668   24.995   3.1408 3.148714 4.185701 
1 1 1   26    4   17 o   18.053   1.7689   39.307   7.4437   37.000   10.542   41.600   10.512   17.279   2.6697   18.397   2.4832 -1.117868 3.646039 
1 1 1   26    4   18 o   35.672   2.3949  154.439   20.057  165.200   28.379  143.700   28.349   36.447   3.3345   33.831   3.6042 2.615967 4.910065 
1 1 1   26    4   19 o   45.879   2.8625  258.397   30.856  274.700   43.709  242.200   43.566   46.465   4.0234   43.385   4.3095 3.079254 5.895782 
1 1 1   26    4   20 o   12.303   1.6941   18.440   4.7910   22.600   6.8254   14.400   6.7268   13.514   2.2156   10.660   2.6763 2.854264 3.474391 
1 1 1   26    4   21 o   37.381   2.4614  170.695   21.605  194.500   30.589  147.000   30.519   39.389   3.3197   33.845   3.8893 5.543964 5.113468 
1 1 1   26    4   22 o   10.647   1.9562   14.070   4.7372   14.200   8.0055   14.000   5.8764   10.566   3.0432   10.523   2.4160 0.4282951E-01 3.885615 
1 1 1   26    4   23 f   27.289   3.0330   93.500   19.214   0.0000   0.0000   93.500   19.214  ?   ?    27.289   3.0330 0.000000 3.033002 
1 1 1   26    4   24 o   1.7998   0.8845  -2.7000   1.3056   0.0000   0.0000  -2.7000   1.3056  ?   ?    1.7998   0.8845 0.000000 0.8844942 
1 1 1   26    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    4   39 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5    0 o   3.7977   2.1301   2.3000   2.8800   2.3000   2.8800   2.3000   2.8800   3.7977   2.1301   3.7977   2.1301 0.000000 0.000000 
1 1 1   26    5    1 o   24.829   1.9836   74.122   11.533   76.700   16.242   71.500   16.379   25.044   2.7941   24.126   2.9355 0.9173355 4.052691 
1 1 1   26    5    2 o   24.685   1.9681   73.255   11.377   76.200   16.077   70.300   16.102   24.966   2.7739   23.928   2.9098 1.038685 4.020079 
1 1 1   26    5    3 o   17.971   1.7671   38.860   7.4020   44.100   10.458   33.600   10.478   19.019   2.3807   16.458   2.7962 2.560965 3.672349 
1 1 1   26    5    4 o   51.540   3.1007  324.148   37.561  385.900   53.142  262.500   53.097   55.613   4.0750   45.154   5.0673 10.45940 6.502574 
1 1 1   26    5    5 o   21.233   1.8581   54.210   9.2225   57.000   13.020   51.400   13.066   21.595   2.6059   20.443   2.7787 1.151834 3.809414 
1 1 1   26    5    6 o   17.470   1.7456   36.739   7.1047   35.000   10.016   38.500   10.080   16.851   2.6007   17.723   2.4761 -0.8715363 3.590951 
1 1 1   26    5    7 o   78.134   4.6390  773.719   85.207  784.200  120.390  763.200  120.611   75.788   6.7994   74.573   6.9285 1.215149 9.707476 
1 1 1   26    5    8 o   18.034   1.7618   39.150   7.4067   39.200   10.465   39.100   10.485   17.861   2.5539   17.835   2.5632 0.2576637E-01 3.618400 
1 1 1   26    5    9 o   11.143   1.7107   15.136   4.3572   16.600   6.0904   13.600   6.2364   11.558   2.3123   10.417   2.5548 1.141167 3.445836 
1 1 1   26    5   10 o   36.594   2.4339  161.947   20.912  158.800   29.559  165.100   29.589   35.766   3.5466   36.510   3.4740 -0.7437935 4.964575 
1 1 1   26    5   11 o   16.491   1.7119   32.772   6.5693   26.800   9.2688   38.800   9.3123   14.646   2.7817   17.837   2.2617 -3.190719 3.585154 
1 1 1   26    5   12 o   25.863   2.0085   80.548   12.170   79.900   17.182   81.200   17.240   25.490   2.9066   25.704   2.8905 -0.2144623 4.099173 
1 1 1   26    5   13 o   15.696   1.6406   29.681   5.9908   21.500   8.3638   38.300   8.5851   13.077   2.7934   17.756   2.0874 -4.679154 3.487195 
1 1 1   26    5   14 o   30.658   2.1941  113.459   15.779  118.100   22.294  108.800   22.335   30.957   3.0912   29.639   3.2442 1.317619 4.481120 
1 1 1   26    5   15 o   49.220   3.0393  296.894   35.152  311.200   49.724  282.600   49.702   49.515   4.2952   46.985   4.5361 2.530327 6.247048 
1 1 1   26    5   16 f   25.198   1.9846   76.549   11.713   77.500   16.577   75.600   16.552   25.087   2.8488   24.761   2.8850 0.3257999 4.054531 
1 1 1   26    5   17 o   43.003   2.7358  225.593   27.637  221.400   39.053  229.800   39.116   41.850   4.0005   42.695   3.9237 -0.8446541 5.603542 
1 1 1   26    5   18 o   8.8190   1.7578   9.6209   3.5321   8.6000   5.0481   10.600   4.9439   8.3423   2.4206   9.1971   2.2863 -0.8548355 3.329596 
1 1 1   26    5   19 o   34.178   2.3489  141.957   18.842  157.000   26.640  126.900   26.653   35.526   3.2103   31.690   3.6271 3.835773 4.843755 
1 1 1   26    5   20 o   22.584   1.8827   61.648   9.9489   74.400   14.099   49.000   14.041   24.636   2.4562   19.708   3.1212 4.928177 3.971786 
1 1 1   26    5   21 o   9.1419   1.7446   10.343   3.6288   4.1000   5.0891   16.800   5.1759   6.5673   2.4482   11.668   1.9473 -5.100242 3.128170 
1 1 1   26    5   22 o   16.997   1.8110   35.093   7.1566   38.000   10.320   32.400   9.9333   17.456   2.5814   16.047   2.7185 1.409046 3.748853 
1 1 1   26    5   23 o   5.3287   1.8856   3.0000   2.9654   0.0000   0.0000   3.0000   2.9654  ?   ?    5.3287   1.8856 0.000000 1.885648 
1 1 1   26    5   24 o   5.1651   1.9482   2.4000   3.2414   0.0000   0.0000   2.4000   3.2414  ?   ?    5.1651   1.9482 0.000000 1.948167 
1 1 1   26    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    5   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6    0 o   38.488   3.6840  183.200   32.777  183.200   32.777  183.200   32.777   38.488   3.6840   38.488   3.6840 0.000000 0.000000 
1 1 1   26    6    1 o   16.113   1.6875   31.254   6.3253   35.600   8.9939   27.000   8.8975   17.081   2.2872   14.750   2.6520 2.331265 3.502049 
1 1 1   26    6    2 o   15.839   1.7186   30.237   6.3249   30.700   9.0794   29.800   8.8158   15.784   2.5208   15.555   2.4836 0.2289581 3.538699 
1 1 1   26    6    3 o   8.7533   1.7196   9.4416   3.4275   7.4000   4.8374   11.500   4.8572   7.8314   2.3941   9.6101   2.1893 -1.778695 3.244155 
1 1 1   26    6    4 o   68.659   4.0547  587.388   65.447  576.100   92.508  598.700   92.605   65.992   6.0020   67.430   5.8746 -1.437775 8.398521 
1 1 1   26    6    5 o   19.676   1.8118   46.569   8.3236   37.900   11.784   55.200   11.758   17.449   2.9662   21.305   2.3778 -3.855690 3.801620 
1 1 1   26    6    6 o   33.526   2.2912  135.577   18.030  164.800   25.509  106.400   25.489   36.727   2.9667   29.133   3.7952 7.593834 4.817095 
1 1 1   26    6    7 o   45.655   2.8592  253.649   30.669  254.100   43.421  253.200   43.325   44.981   4.1343   44.901   4.1325 0.7914734E-01 5.845510 
1 1 1   26    6    8 o   51.388   3.1411  323.097   37.932  352.500   53.647  293.700   53.642   52.867   4.3355   47.881   4.8093 4.985680 6.475034 
1 1 1   26    6    9 o   44.201   2.7953  237.611   29.025  245.400   41.019  229.800   41.077   44.284   3.9646   42.748   4.1203 1.535656 5.717952 
1 1 1   26    6   10 o   18.270   1.8077   40.227   7.6966   38.400   10.967   42.000   10.804   17.622   2.7234   18.497   2.5405 -0.8748074 3.724411 
1 1 1   26    6   11 o   25.697   2.0033   79.501   12.060   81.400   17.051   77.600   17.059   25.754   2.8516   25.112   2.9321 0.6420517 4.090092 
1 1 1   26    6   12 o   22.231   1.8925   59.500   9.8401   59.600   13.936   59.400   13.896   22.022   2.7390   21.985   2.7359 0.3655243E-01 3.871388 
1 1 1   26    6   13 o   26.899   2.0513   87.204   12.931   91.700   18.279   82.700   18.296   27.326   2.8759   25.873   3.0534 1.453272 4.194541 
1 1 1   26    6   14 o   17.997   1.7501   39.020   7.3433   35.300   10.343   42.800   10.427   16.878   2.6851   18.696   2.4187 -1.817236 3.613818 
1 1 1   26    6   15 o   33.370   2.2900  134.671   17.936  168.800   25.376  100.600   25.355   37.115   2.9190   28.163   3.9188 8.951567 4.886449 
1 1 1   26    6   16 o   55.973   3.3648  387.240   44.267  369.500   62.498  405.100   62.709   53.238   5.0311   56.003   4.7880 -2.764790 6.945258 
1 1 1   26    6   17 o   17.263   1.7682   35.985   7.1062   42.600   10.023   29.300   10.076   18.659   2.3254   15.266   2.9012 3.392833 3.718136 
1 1 1   26    6   18 o   13.205   1.6826   21.162   5.1277   24.600   7.2391   17.700   7.2642   14.120   2.2465   11.843   2.6623 2.276731 3.483425 
1 1 1   26    6   19 o   30.518   2.1946  112.944   15.709  121.700   22.224  104.200   22.208   31.314   3.0440   28.820   3.3242 2.493465 4.507375 
1 1 1   26    6   20 o   33.381   2.3474  135.700   18.386  155.000   25.968  116.300   26.035   35.270   3.1512   30.198   3.7303 5.071926 4.883194 
1 1 1   26    6   21 o   26.574   2.0104   85.598   12.522  102.500   17.736   68.800   17.682   28.837   2.6337   23.289   3.3082 5.547821 4.228512 
1 1 1   26    6   22 o   5.0886   1.8321   2.6347   2.8110  -0.4000   5.0463   4.0000   3.3848   5.1958   2.2456   5.9568   2.0193 -0.7610402 3.019947 
1 1 1   26    6   23 o   22.269   2.7673   62.000   14.238   0.0000   0.0000   62.000   14.238  ?   ?    22.269   2.7673 0.000000 2.767340 
1 1 1   26    6   24 o   13.193   2.5853   22.100   7.7661   0.0000   0.0000   22.100   7.7661  ?   ?    13.193   2.5853 0.000000 2.585297 
1 1 1   26    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    6   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7    0 o   11.799   2.7924   19.100   6.7549   19.100   6.7549   19.100   6.7549   11.799   2.7924   11.799   2.7924 0.000000 0.000000 
1 1 1   26    7    1 o   53.748   3.2422  353.589   40.957  347.900   57.868  359.300   57.976   52.284   4.7386   53.200   4.6621 -0.9156342 6.647495 
1 1 1   26    7    2 o   41.821   2.6445  211.873   25.981  198.500   36.706  225.300   36.779   39.859   3.9520   42.631   3.6899 -2.772377 5.406830 
1 1 1   26    7    3 o   38.763   2.5058  181.670   22.814  162.700   32.238  200.700   32.289   36.106   3.8401   40.353   3.4208 -4.247047 5.142835 
1 1 1   26    7    4 o   42.723   2.7311  221.525   27.408  202.400   38.786  240.600   38.736   40.122   4.1540   44.007   3.7638 -3.885189 5.605566 
1 1 1   26    7    5 o   8.9567   1.6574   9.8549   3.3762   9.1000   4.7903   10.600   4.7593   8.5614   2.3143   9.2204   2.2138 -0.6590214 3.202639 
1 1 1   26    7    6 o   48.117   2.9238  281.988   33.063  334.300   46.787  229.800   46.731   51.839   3.8496   42.364   4.7534 9.474747 6.116753 
1 1 1   26    7    7 o   41.571   2.6485  209.567   25.864  204.700   36.454  214.500   36.701   40.494   3.8590   41.500   3.7868 -1.006187 5.406678 
1 1 1   26    7    8 o   31.663   2.2337  120.914   16.594  125.000   23.428  116.800   23.507   31.870   3.1545   30.744   3.2890 1.126329 4.557235 
1 1 1   26    7    9 o   33.281   2.2891  133.692   17.881  132.000   25.225  135.400   25.349   32.685   3.3141   33.120   3.2846 -0.4347801 4.666049 
1 1 1   26    7   10 o   14.349   1.7004   24.882   5.6494   22.800   7.9558   27.000   8.0235   13.530   2.5845   14.805   2.3754 -1.275317 3.510250 
1 1 1   26    7   11 o   21.720   1.8529   56.762   9.4124   62.700   13.354   50.900   13.268   22.659   2.5395   20.298   2.8466 2.361202 3.814734 
1 1 1   26    7   12 o   32.596   2.2762  128.360   17.410  137.000   24.607  119.700   24.635   33.338   3.1637   31.034   3.4183 2.303705 4.657676 
1 1 1   26    7   13 o   28.297   2.1491   96.637   14.253  112.100   20.101   81.000   20.214   30.252   2.8473   25.450   3.4527 4.802153 4.475263 
1 1 1   26    7   14 o   10.161   1.7130   12.649   3.9639   12.800   5.6239   12.500   5.5879   10.108   2.3932   9.9884   2.3992 0.1197224 3.388758 
1 1 1   26    7   15 o   25.052   1.9735   75.641   11.580   78.700   16.400   72.600   16.352   25.306   2.7910   24.251   2.9138 1.054146 4.034806 
1 1 1   26    7   16 o   26.498   2.0413   84.718   12.675   99.500   17.913   69.900   17.936   28.515   2.6923   23.637   3.3037 4.877882 4.261750 
1 1 1   26    7   17 o   50.946   3.1355  319.897   37.537  351.100   53.088  288.700   53.083   52.409   4.3285   47.047   4.8476 5.361485 6.498827 
1 1 1   26    7   18 o   20.824   1.8714   52.382   9.1039   60.300   12.849   44.400   12.901   22.169   2.4980   18.817   3.0046 3.352091 3.907338 
1 1 1   26    7   19 o   5.7664   1.6897   4.0496   2.4490   4.0000   3.4500   4.1000   3.4770   5.9865   2.0386   6.0418   2.0466 -0.5535221E-01 2.888651 
1 1 1   26    7   20 o   34.822   2.3720  147.799   19.388  147.100   27.396  148.500   27.442   34.160   3.4432   34.331   3.4310 -0.1710320 4.860843 
1 1 1   26    7   21 o   21.003   1.7692   53.314   8.6924   72.900   12.385   34.300   12.203   24.452   2.1674   16.325   3.2793 8.126734 3.930816 
1 1 1   26    7   22 o   7.3609   2.2676   6.6000   4.3302   0.0000   0.0000   6.6000   4.3302  ?   ?    7.3609   2.2676 0.000000 2.267562 
1 1 1   26    7   23 o   9.1096   2.3234   10.500   5.0137   0.0000   0.0000   10.500   5.0137  ?   ?    9.1096   2.3234 0.000000 2.323418 
1 1 1   26    7   24 o   14.593   2.5602   26.900   8.5009   0.0000   0.0000   26.900   8.5009  ?   ?    14.593   2.5602 0.000000 2.560226 
1 1 1   26    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    7   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8    0 o   30.743   3.2216  117.000   22.799  117.000   22.799  117.000   22.799   30.743   3.2216   30.743   3.2216 0.000000 0.000000 
1 1 1   26    8    1 o   52.785   3.1977  340.937   39.669  329.000   56.071  352.900   56.131   50.814   4.7272   52.780   4.5481 -1.966427 6.559874 
1 1 1   26    8    2 o   72.084   4.2672  651.560   72.311  612.500  102.277  690.600  102.250   67.355   6.5118   72.139   6.0586 -4.784698 8.894396 
1 1 1   26    8    3 o  ?   ?   -5.5181   0.3798  -3.4000   0.6748  -6.5000   0.4595  ?   ?   ?   ?  0.000000      ? 
1 1 1   26    8    4 o   38.588   2.5308  180.212   22.933  184.700   32.389  175.700   32.474   38.597   3.5951   37.581   3.7076 1.015621 5.164454 
1 1 1   26    8    5 o   42.882   2.5372  222.419   25.577  188.700   35.971  256.900   36.375   38.809   3.9815   45.677   3.3967 -6.867714 5.233559 
1 1 1   26    8    6 o   31.082   2.2075  116.461   16.097  129.300   22.755  103.600   22.774   32.486   3.0002   28.897   3.4027 3.588806 4.536479 
1 1 1   26    8    7 o   40.871   2.6269  202.548   25.218  204.000   35.684  201.100   35.644   40.462   3.7785   40.157   3.8043 0.3048439 5.361914 
1 1 1   26    8    8 o   29.371   2.1635  103.992   14.899  113.200   21.023   94.700   21.118   30.384   2.9681   27.643   3.3004 2.740311 4.438725 
1 1 1   26    8    9 o   10.131   1.7281   12.575   3.9860   13.500   5.5653   11.600   5.7115   10.399   2.3248   9.6316   2.4922 0.7673664 3.408190 
1 1 1   26    8   10 o   26.674   2.0466   85.701   12.792   88.000   18.087   83.400   18.096   26.768   2.9082   26.019   3.0002 0.7486439 4.178419 
1 1 1   26    8   11 o   49.505   3.0601  300.003   35.597  306.000   50.330  294.000   50.354   49.101   4.3870   48.043   4.4906 1.057743 6.277813 
1 1 1   26    8   12 o   4.8905   1.6323   2.6899   2.2116   3.2000   3.1597   2.2000   3.0965   5.5208   1.9472   5.0357   1.9030 0.4851685 2.722685 
1 1 1   26    8   13 o   5.2652   1.7131   3.1952   2.4416   6.6000   3.4069  -0.4000   3.5009   7.2990   1.9425   4.3252   1.8698 2.973810 2.696202 
1 1 1   26    8   14 o   12.382   1.6982   18.627   4.8345   19.600   6.7459   17.600   6.9320   12.559   2.3613   11.848   2.5530 0.7112894 3.477586 
1 1 1   26    8   15 o   23.543   1.9108   66.771   10.531   74.100   14.923   59.500   14.863   24.607   2.6080   21.911   2.9475 2.695549 3.935630 
1 1 1   26    8   16 o   6.7095   1.7169   5.5815   2.7315   7.3000   3.8285   3.8000   3.8982   7.6688   2.0672   6.0548   2.1599 1.613973 2.989738 
1 1 1   26    8   17 o   34.999   2.3953  148.771   19.677  164.900   27.810  132.600   27.846   36.432   3.2673   32.412   3.7048 4.020214 4.939773 
1 1 1   26    8   18 o   23.608   1.9124   67.308   10.569   62.200   14.887   72.500   15.008   22.371   2.8853   24.261   2.6635 -1.890739 3.926780 
1 1 1   26    8   19 o   19.728   1.8145   47.050   8.3579   47.100   11.782   47.000   11.858   19.496   2.6260   19.467   2.6484 0.2879715E-01 3.729562 
1 1 1   26    8   20 o   18.929   1.7195   43.280   7.6019   54.100   10.838   32.800   10.666   21.035   2.2151   16.103   2.9122 4.932762 3.658944 
1 1 1   26    8   21 f   21.122   1.7594   53.914   8.6952   68.200   12.448   40.300   12.151   23.608   2.2606   17.837   2.9908 5.770632 3.749013 
1 1 1   26    8   22 o   5.2896   1.9220   2.8000   3.1034   0.0000   0.0000   2.8000   3.1034  ?   ?    5.2896   1.9220 0.000000 1.921987 
1 1 1   26    8   23 o   8.6434   2.4696   9.4000   5.2920   0.0000   0.0000   9.4000   5.2920  ?   ?    8.6434   2.4696 0.000000 2.469649 
1 1 1   26    8   24 o   20.294   2.7672   51.900   12.915   0.0000   0.0000   51.900   12.915  ?   ?    20.294   2.7672 0.000000 2.767165 
1 1 1   26    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    8   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9    0 o   19.201   2.7469   46.600   11.716   46.600   11.716   46.600   11.716   19.201   2.7469   19.201   2.7469 0.000000 0.000000 
1 1 1   26    9    1 o   12.383   1.6714   18.591   4.7624   22.800   6.7420   14.400   6.7281   13.632   2.1670   10.713   2.6693 2.918712 3.438181 
1 1 1   26    9    2 o   16.040   1.7165   31.006   6.4003   33.800   9.0409   28.200   9.0619   16.610   2.3725   15.078   2.6415 1.532023 3.550517 
1 1 1   26    9    3 o   30.054   2.1471  108.779   15.137  100.700   21.379  116.900   21.435   28.558   3.2269   30.891   2.9753 -2.332260 4.389220 
1 1 1   26    9    4 o   11.479   1.6705   16.021   4.3953   25.600   6.2093   6.4000   6.2227   14.530   1.8519   7.7398   2.7323 6.789909 3.300763 
1 1 1   26    9    5 o   47.546   2.9228  275.415   32.656  259.600   46.133  291.300   46.234   45.309   4.3658   48.198   4.1013 -2.888908 5.990065 
1 1 1   26    9    6 o   9.0890   1.6760   10.150   3.4645   8.6000   4.8996   11.700   4.8996   8.3490   2.3731   9.6899   2.1925 -1.340865 3.230918 
1 1 1   26    9    7 o   30.088   2.1633  109.104   15.267  112.100   21.575  106.100   21.607   30.197   3.0684   29.331   3.1701 0.8658085 4.411858 
1 1 1   26    9    8 o   36.470   2.3720  160.680   20.316  134.600   28.666  187.000   28.798   32.796   3.7701   39.029   3.1516 -6.232159 4.913911 
1 1 1   26    9    9 o   29.136   2.1146  102.285   14.450  108.700   20.459   95.900   20.411   29.766   2.9496   27.865   3.1577 1.901161 4.321038 
1 1 1   26    9   10 o   26.979   2.0666   87.721   13.066   91.700   18.430   83.700   18.526   27.326   2.9005   26.033   3.0730 1.293201 4.225682 
1 1 1   26    9   11 o   8.9813   1.7276   9.9417   3.5309   9.8000   4.8606   10.100   5.1377   8.8636   2.3018   8.9984   2.3810 -0.1347771 3.311697 
1 1 1   26    9   12 o   38.167   2.5060  176.591   22.460  188.300   31.776  164.900   31.750   38.952   3.4917   36.293   3.7593 2.658577 5.130713 
1 1 1   26    9   13 o   15.817   1.7159   30.200   6.3062   29.900   8.9239   30.500   8.9127   15.548   2.5167   15.715   2.4844 -0.1670456 3.536366 
1 1 1   26    9   14 o   48.430   2.8861  286.583   32.856  347.300   46.549  226.300   46.382   52.726   3.7634   41.803   4.7849 10.92275 6.087632 
1 1 1   26    9   15 o   49.511   2.9784  300.360   34.660  371.500   49.066  229.500   48.969   54.443   3.8412   41.847   5.0582 12.59592 6.351438 
1 1 1   26    9   16 o   3.9936   1.5728   1.0802   2.1795 -11.2000   3.1846   11.900   2.9892   2.3115   1.1704   9.9206   1.3079 -7.609096 1.755128 
1 1 1   26    9   17 o   61.553   3.6520  474.787   52.844  528.200   74.811  421.600   74.653   63.316   5.0456   55.679   5.7613 7.637032 7.658377 
1 1 1   26    9   18 o   29.203   2.1302  103.336   14.588  113.600   20.645   93.100   20.617   30.296   2.9221   27.243   3.2702 3.053400 4.385545 
1 1 1   26    9   19 o   34.080   2.3426  141.441   18.737  159.100   26.506  123.800   26.492   35.712   3.1762   31.195   3.6663 4.517345 4.850794 
1 1 1   26    9   20 o   43.281   2.6920  230.451   27.377  264.100   38.832  197.200   38.602   45.608   3.6359   38.860   4.2776 6.748180 5.614020 
1 1 1   26    9   21 o   25.492   1.9458   78.767   11.624   89.700   16.833   68.800   16.072   26.910   2.6848   23.410   2.9744 3.500143 4.006920 
1 1 1   26    9   22 f   24.517   2.8789   75.300   16.350   0.0000   0.0000   75.300   16.350  ?   ?    24.517   2.8789 0.000000 2.878888 
1 1 1   26    9   23 o   22.605   2.8400   64.300   14.825   0.0000   0.0000   64.300   14.825  ?   ?    22.605   2.8400 0.000000 2.839965 
1 1 1   26    9   24 o   6.8711   2.3454   5.4000   4.5668   0.0000   0.0000   5.4000   4.5668  ?   ?    6.8711   2.3454 0.000000 2.345405 
1 1 1   26    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26    9   38 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10    0 o   16.908   2.7605   36.700   10.140   36.700   10.140   36.700   10.140   16.908   2.7605   16.908   2.7605 0.000000 0.000000 
1 1 1   26   10    1 o   24.870   1.9786   74.415   11.523   76.100   16.225   72.700   16.369   24.922   2.8059   24.319   2.9080 0.6022491 4.040997 
1 1 1   26   10    2 o   43.776   2.7594  232.796   28.378  228.800   40.112  236.800   40.154   42.735   4.0222   43.525   3.9499 -0.7899895 5.637378 
1 1 1   26   10    3 f   11.435   1.6238   15.875   4.2613   10.600   5.9576   21.400   6.0977   9.2458   2.6130   13.230   2.0156 -3.983824 3.300024 
1 1 1   26   10    4 o   38.088   2.4749  175.460   22.138  186.400   31.365  164.600   31.251   38.834   3.4565   36.362   3.6908 2.472195 5.056624 
1 1 1   26   10    5 o   25.246   1.9723   76.680   11.665   79.300   16.562   74.100   16.432   25.442   2.8033   24.557   2.8889 0.8851509 4.025424 
1 1 1   26   10    6 o   15.839   1.7171   30.256   6.3193   32.500   8.9258   28.000   8.9479   16.271   2.3947   15.024   2.6173 1.247158 3.547561 
1 1 1   26   10    7 o   33.241   2.2587  133.303   17.624  149.800   24.959  116.900   24.889   34.949   3.0551   30.660   3.5005 4.288416 4.646187 
1 1 1   26   10    8 o   28.149   2.0744   95.436   13.691  108.600   19.373   82.300   19.352   29.813   2.7841   25.754   3.2549 4.058630 4.283138 
1 1 1   26   10    9 o   10.128   1.6852   12.550   3.8887   13.300   5.4995   11.800   5.4995   10.319   2.3140   9.7102   2.4098 0.6090698 3.340916 
1 1 1   26   10   10 o   23.861   1.9537   68.568   10.912   71.600   15.385   65.500   15.478   24.162   2.7453   23.045   2.9091 1.117502 3.999935 
1 1 1   26   10   11 o   62.248   3.7239  481.699   54.487  491.100   77.061  472.300   77.051   61.222   5.3852   59.897   5.5095 1.325401 7.704216 
1 1 1   26   10   12 o   19.236   1.8325   44.612   8.2231   53.800   11.590   35.300   11.668   21.003   2.3790   16.767   3.0598 4.235718 3.875813 
1 1 1   26   10   13 o   35.431   2.3896  152.040   19.876  157.000   28.136  147.100   28.081   35.564   3.3915   34.356   3.5107 1.207829 4.881258 
1 1 1   26   10   14 o   28.609   2.1227   98.816   14.238  104.600   20.108   93.000   20.163   29.143   2.9632   27.379   3.1777 1.764156 4.344925 
1 1 1   26   10   15 o   52.427   3.1782  338.807   39.160  392.800   55.402  284.900   55.358   55.559   4.2552   46.531   5.1231 9.028202 6.659848 
1 1 1   26   10   16 o   3.2445   1.3660   0.1386   1.7825   2.1000   2.4171  -2.2000   2.6393   4.6463   1.6950   3.1961   1.4792 1.450218 2.249673 
1 1 1   26   10   17 o   28.770   2.1237  100.241   14.326  124.100   20.264   76.400   20.255   31.781   2.7265   24.507   3.6081 7.274191 4.522435 
1 1 1   26   10   18 o   19.861   1.8179   47.681   8.4310   54.600   11.983   40.900   11.864   21.074   2.4540   18.061   2.8784 3.012615 3.782526 
1 1 1   26   10   19 o   34.623   2.3640  146.189   19.212  168.000   27.177  124.400   27.164   36.677   3.1691   31.174   3.7664 5.502476 4.922271 
1 1 1   26   10   20 o   33.709   2.3042  138.601   18.231  151.900   25.880  125.500   25.686   34.804   3.1843   31.407   3.5243 3.396725 4.749754 
1 1 1   26   10   21 o   39.364   3.8529  199.800   35.355   0.0000   0.0000  199.800   35.355  ?   ?    39.364   3.8529 0.000000 3.852887 
1 1 1   26   10   22 o   25.252   2.9358   80.200   17.179   0.0000   0.0000   80.200   17.179  ?   ?    25.252   2.9358 0.000000 2.935842 
1 1 1   26   10   23 o   7.3476   2.2760   6.6000   4.3556   0.0000   0.0000   6.6000   4.3556  ?   ?    7.3476   2.2760 0.000000 2.275986 
1 1 1   26   10   24 o   16.939   2.6756   36.300   10.347   0.0000   0.0000   36.300   10.347  ?   ?    16.939   2.6756 0.000000 2.675632 
1 1 1   26   10   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   10   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11    0 o   10.047   2.9209   14.700   6.0151   14.700   6.0151   14.700   6.0151   10.047   2.9209   10.047   2.9209 0.000000 0.000000 
1 1 1   26   11    1 f   53.809   3.2355  354.913   40.920  324.100   57.835  385.800   57.903   50.205   4.9425   55.200   4.4810 -4.994144 6.671352 
1 1 1   26   11    2 o   32.399   2.2440  126.592   17.062  134.600   24.141  118.600   24.118   33.095   3.1261   30.957   3.3528 2.137886 4.584123 
1 1 1   26   11    3 o   23.583   1.9207   66.900   10.603   66.800   15.010   67.000   14.979   23.334   2.7788   23.373   2.7678 -0.3880119E-01 3.922027 
1 1 1   26   11    4 o   19.295   1.8024   44.811   8.1173   51.300   11.470   38.300   11.489   20.512   2.4143   17.560   2.8699 2.951284 3.750401 
1 1 1   26   11    5 o   8.5048   1.6667   8.9128   3.2276   7.4000   4.4450   10.600   4.6943   7.7764   2.2757   9.2196   2.1889 -1.443204 3.157555 
1 1 1   26   11    6 o   30.993   2.1357  115.699   15.535  129.800   22.049  101.800   21.890   32.575   2.8967   28.670   3.2932 3.905081 4.385887 
1 1 1   26   11    7 o   34.234   2.3269  141.589   18.699  136.300   26.415  146.900   26.473   33.154   3.4234   34.492   3.2902 -1.337635 4.748171 
1 1 1   26   11    8 o   16.055   1.7219   31.090   6.4259   27.100   9.0759   35.100   9.0995   14.746   2.7063   16.930   2.3386 -2.184004 3.576718 
1 1 1   26   11    9 o   23.203   1.9047   64.796   10.344   72.700   14.633   56.900   14.625   24.403   2.5783   21.438   2.9687 2.965221 3.932040 
1 1 1   26   11   10 o   40.406   2.6046  198.192   24.719  222.900   34.963  173.500   34.952   42.391   3.5248   37.076   4.0585 5.315231 5.375484 
1 1 1   26   11   11 o   18.425   1.7688   40.899   7.6009   40.600   10.735   41.200   10.764   18.157   2.5760   18.297   2.5614 -0.1398087 3.632711 
1 1 1   26   11   12 o   23.269   1.9109   65.217   10.407   67.800   14.813   62.700   14.625   23.497   2.7199   22.557   2.8063 0.9400501 3.908124 
1 1 1   26   11   13 o   41.329   2.6524  207.833   25.749  215.600   36.455  200.100   36.373   41.490   3.7619   39.867   3.9142 1.622879 5.428867 
1 1 1   26   11   14 o   38.324   2.5232  178.500   22.706  178.200   32.102  178.800   32.121   37.716   3.6502   37.783   3.6455 -0.6685257E-01 5.158779 
1 1 1   26   11   15 o   5.0482   1.6879   2.8706   2.3648   4.7000   3.0938   0.3000   3.6674   6.2537   1.9151   4.6394   1.9567 1.614218 2.737908 
1 1 1   26   11   16 o   26.624   1.9740   85.586   12.322  103.600   17.481   67.800   17.370   29.093   2.5711   23.228   3.2564 5.864790 4.149021 
1 1 1   26   11   17 o   31.272   2.2234  118.693   16.311  140.900   23.071   96.500   23.064   33.764   2.9226   27.556   3.6331 6.207977 4.662720 
1 1 1   26   11   18 o   13.948   1.6822   23.614   5.4289   14.100   7.6241   33.400   7.7322   10.543   2.9476   16.537   2.0223 -5.993671 3.574636 
1 1 1   26   11   19 o   13.366   1.7084   21.751   5.2688   21.600   7.4731   21.900   7.4295   13.109   2.5055   13.211   2.4725 -0.1018953 3.520044 
1 1 1   26   11   20 o   25.457   1.9164   78.487   11.436   90.800   16.461   67.000   15.899   27.117   2.6026   23.096   2.9850 4.020824 3.960270 
1 1 1   26   11   21 o   18.886   2.6522   44.600   11.502   0.0000   0.0000   44.600   11.502  ?   ?    18.886   2.6522 0.000000 2.652233 
1 1 1   26   11   22 o   18.229   2.6358   41.700   11.016   0.0000   0.0000   41.700   11.016  ?   ?    18.229   2.6358 0.000000 2.635850 
1 1 1   26   11   23 f   19.626   2.7633   48.600   12.452   0.0000   0.0000   48.600   12.452  ?   ?    19.626   2.7633 0.000000 2.763285 
1 1 1   26   11   24 o   8.2832   2.4563   8.6000   5.1490   0.0000   0.0000   8.6000   5.1490  ?   ?    8.2832   2.4563 0.000000 2.456266 
1 1 1   26   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   11   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12    0 o   72.841   6.2921  680.700  106.369  680.700  106.369  680.700  106.369   72.841   6.2921   72.841   6.2921 0.000000 0.000000 
1 1 1   26   12    1 o   30.929   2.2271  115.394   16.157  128.500   22.811  102.200   22.888   32.369   3.0192   28.671   3.4498 3.698019 4.584403 
1 1 1   26   12    2 o   8.1419   1.7621   8.2091   3.2894   10.900   4.5639   5.3000   4.7453   9.3567   2.1153   6.9412   2.3901 2.415568 3.191735 
1 1 1   26   12    3 o   31.586   2.2362  120.363   16.572  133.800   23.425  106.900   23.447   33.023   3.0380   29.325   3.4520 3.698019 4.598452 
1 1 1   26   12    4 o   34.008   2.3322  139.710   18.615  143.000   26.285  136.400   26.368   34.025   3.3135   33.179   3.4142 0.8457756 4.757774 
1 1 1   26   12    5 o   41.169   2.6481  205.756   25.607  201.700   36.238  209.800   36.188   40.146   3.8706   41.003   3.7801 -0.8563728 5.410268 
1 1 1   26   12    6 o   51.022   3.1088  318.776   37.276  309.000   52.653  328.600   52.781   49.219   4.5830   50.881   4.4374 -1.662884 6.379200 
1 1 1   26   12    7 o   14.516   1.6521   25.430   5.5621   21.300   7.8012   29.700   7.9324   13.055   2.6216   15.579   2.2190 -2.523300 3.434673 
1 1 1   26   12    8 o   17.079   1.7313   35.150   6.8859   33.600   9.7381   36.700   9.7381   16.492   2.5855   17.287   2.4545 -0.7948322 3.565008 
1 1 1   26   12    9 o   54.173   3.2281  360.568   41.107  398.300   58.198  323.000   58.070   55.998   4.4375   49.937   4.9914 6.060894 6.678765 
1 1 1   26   12   10 o   15.528   1.7162   29.113   6.1876   25.700   8.7674   32.500   8.7338   14.348   2.6864   16.272   2.3403 -1.924078 3.562845 
1 1 1   26   12   11 o   29.371   2.1381  104.101   14.727  100.800   20.831  107.400   20.824   28.546   3.1423   29.521   3.0301 -0.9751015 4.365278 
1 1 1   26   12   12 o   21.797   1.8534   57.218   9.4492   61.600   13.413   52.900   13.314   22.425   2.5801   20.693   2.7963 1.731411 3.804718 
1 1 1   26   12   13 o   24.921   1.9896   74.925   11.611   68.300   16.451   81.500   16.389   23.454   3.0422   25.764   2.7358 -2.310028 4.091349 
1 1 1   26   12   14 o   19.702   1.7427   46.755   8.0241   55.900   11.440   37.900   11.257   21.411   2.2987   17.428   2.8327 3.983410 3.648097 
1 1 1   26   12   15 o   24.642   1.9827   73.373   11.439   76.000   16.108   70.700   16.248   24.808   2.7987   23.861   2.9463 0.9465351 4.063684 
1 1 1   26   12   16 o   26.207   2.0377   83.118   12.511   85.100   17.615   81.100   17.773   26.203   2.8952   25.527   3.0062 0.6762524 4.173675 
1 1 1   26   12   17 o   27.381   2.0707   90.841   13.290   89.200   18.746   92.500   18.844   26.754   3.0202   27.270   2.9745 -0.5166855 4.239032 
1 1 1   26   12   18 o   48.301   3.0514  289.722   34.624  319.700   48.948  259.700   48.985   49.669   4.2131   44.198   4.7691 5.470955 6.363517 
1 1 1   26   12   19 o   35.520   2.3913  154.220   19.940  164.000   28.317  144.600   28.085   36.047   3.3656   33.688   3.5856 2.359814 4.917727 
1 1 1   26   12   20 o   15.052   2.5321   28.400   8.6804   0.0000   0.0000   28.400   8.6804  ?   ?    15.052   2.5321 0.000000 2.532097 
1 1 1   26   12   21 o   26.994   3.0349   91.900   19.010   0.0000   0.0000   91.900   19.010  ?   ?    26.994   3.0349 0.000000 3.034888 
1 1 1   26   12   22 o   18.046   2.6824   41.000   11.083   0.0000   0.0000   41.000   11.083  ?   ?    18.046   2.6824 0.000000 2.682375 
1 1 1   26   12   23 o   7.7354   2.3585   7.4000   4.6989   0.0000   0.0000   7.4000   4.6989  ?   ?    7.7354   2.3585 0.000000 2.358492 
1 1 1   26   12   24 o   31.159   3.3491  124.900   24.255   0.0000   0.0000  124.900   24.255  ?   ?    31.159   3.3491 0.000000 3.349057 
1 1 1   26   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   12   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13    0 o   25.332   2.9665   79.900   17.108   79.900   17.108   79.900   17.108   25.332   2.9665   25.332   2.9665 0.000000 0.000000 
1 1 1   26   13    1 f   45.382   2.8291  250.773   30.167  272.900   42.688  228.700   42.637   46.724   3.9048   42.494   4.3087 4.230350 5.814884 
1 1 1   26   13    2 o   54.473   3.2770  364.526   41.957  381.100   59.379  348.000   59.294   54.656   4.6448   52.012   4.8850 2.643970 6.740717 
1 1 1   26   13    3 o   13.922   1.7291   23.465   5.5621   19.100   7.9262   27.700   7.8071   12.320   2.7895   15.024   2.2715 -2.704052 3.597358 
1 1 1   26   13    4 o   60.627   3.6291  455.245   51.716  468.700   73.152  441.800   73.123   60.072   5.2085   58.131   5.3883 1.940773 7.494140 
1 1 1   26   13    5 o   63.533   3.6599  500.212   54.675  431.800   77.217  569.000   77.428   57.016   5.8168   66.483   4.9680 -9.467106 7.649534 
1 1 1   26   13    6 o   2.7156   1.1830  -0.2763   1.4231  -0.8000   1.9662   0.3000   2.0624   3.0342   1.3529   3.5507   1.4804 -0.5164444 2.005471 
1 1 1   26   13    7 o   43.040   2.6347  224.878   26.648  190.200   37.621  259.800   37.752   38.773   4.1748   45.796   3.5179 -7.023094 5.459383 
1 1 1   26   13    8 o   67.128   3.9398  563.489   62.178  600.000   88.068  527.200   87.799   67.434   5.5808   62.681   6.0054 4.753052 8.198158 
1 1 1   26   13    9 o   37.033   2.4578  166.200   21.371  158.800   30.224  173.600   30.224   35.657   3.6406   37.391   3.4624 -1.733604 5.024199 
1 1 1   26   13   10 o   40.249   2.5944  196.794   24.527  210.600   34.693  183.000   34.678   41.117   3.6098   38.140   3.9056 2.976734 5.318272 
1 1 1   26   13   11 o   4.2886   1.5497   1.8213   2.0136   0.9000   2.9752   2.6000   2.7351   4.4300   1.8053   5.0535   1.8085 -0.6234531 2.555367 
1 1 1   26   13   12 o   28.357   2.1008   97.099   13.967   99.400   19.756   94.800   19.749   28.377   2.9936   27.673   3.0742 0.7034988 4.290912 
1 1 1   26   13   13 o   6.9474   1.7354   5.9941   2.8386   6.2000   4.0754   5.8000   3.9561   7.1661   2.1986   6.9603   2.1712 0.2057996 3.089988 
1 1 1   26   13   14 o   16.685   1.7402   33.650   6.7555   37.800   9.5537   29.500   9.5537   17.533   2.3681   15.349   2.7362 2.184243 3.618705 
1 1 1   26   13   15 o   27.760   2.0031   93.109   13.042  112.900   18.511   73.600   18.379   30.352   2.6082   24.180   3.3055 6.171616 4.210548 
1 1 1   26   13   16 o   12.036   1.6827   17.656   4.6515   23.000   6.6377   12.500   6.5204   13.659   2.1272   9.9505   2.7043 3.708397 3.440691 
1 1 1   26   13   17 o   38.177   2.4979  178.229   22.394  197.800   31.729  158.800   31.613   39.643   3.4229   35.195   3.8676 4.448269 5.164789 
1 1 1   26   13   18 o   11.010   1.7586   14.893   4.4184   17.000   6.5167   13.100   6.0112   11.609   2.4539   10.167   2.5171 1.441795 3.515357 
1 1 1   26   13   19 o   19.727   1.7235   47.047   7.9479   60.500   11.778   35.800   10.769   22.210   2.2781   16.850   2.8053 5.360386 3.613776 
1 1 1   26   13   20 o   28.209   3.1023  100.400   20.324   0.0000   0.0000  100.400   20.324  ?   ?    28.209   3.1023 0.000000 3.102350 
1 1 1   26   13   21 o   24.036   2.8840   72.700   16.042   0.0000   0.0000   72.700   16.042  ?   ?    24.036   2.8840 0.000000 2.883977 
1 1 1   26   13   22 o   15.015   2.5864   28.500   8.8390   0.0000   0.0000   28.500   8.8390  ?   ?    15.015   2.5864 0.000000 2.586402 
1 1 1   26   13   23 o   13.384   2.6745   22.900   8.1572   0.0000   0.0000   22.900   8.1572  ?   ?    13.384   2.6745 0.000000 2.674533 
1 1 1   26   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   13   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14    0 o   52.831   4.6929  349.400   57.483  349.400   57.483  349.400   57.483   52.831   4.6929   52.831   4.6929 0.000000 0.000000 
1 1 1   26   14    1 o   9.8992   1.6758   11.996   3.7775   11.800   5.2943   12.200   5.3915   9.7154   2.3364   9.8779   2.3463 -0.1625404 3.311138 
1 1 1   26   14    2 o   34.209   2.3050  141.318   18.511  157.000   26.206  125.700   26.152   35.736   3.1372   31.771   3.5465 3.965179 4.734946 
1 1 1   26   14    3 o   39.121   2.4758  185.253   22.753  219.700   32.223  151.000   32.132   42.251   3.2549   34.614   4.0051 7.636208 5.160914 
1 1 1   26   14    4 o   32.799   2.2662  129.890   17.444  111.000   24.664  148.800   24.676   29.816   3.5743   34.823   3.0311 -5.007648 4.686507 
1 1 1   26   14    5 o   41.734   2.5002  210.911   24.526  258.300   34.792  164.100   34.579   45.826   3.2360   36.006   4.1425 9.819992 5.256646 
1 1 1   26   14    6 o   33.853   2.3258  138.559   18.480  143.500   26.109  133.600   26.159   34.066   3.2865   32.795   3.4286 1.270954 4.749340 
1 1 1   26   14    7 o   42.799   2.7397  223.021   27.543  211.900   38.989  234.100   38.914   40.969   4.0847   43.229   3.8525 -2.259777 5.614833 
1 1 1   26   14    8 o   52.386   3.1998  337.300   39.393  349.000   55.710  325.600   55.710   52.255   4.5606   50.306   4.7459 1.949085 6.581934 
1 1 1   26   14    9 o   26.849   2.0400   86.900   12.837   87.200   18.147   86.600   18.162   26.607   2.9372   26.510   2.9514 0.9782028E-01 4.163878 
1 1 1   26   14   10 o   21.827   1.8706   57.401   9.5479   59.600   13.498   55.200   13.507   22.029   2.6480   21.150   2.7712 0.8788795 3.832925 
1 1 1   26   14   11 o   19.438   1.7844   45.539   8.0989   48.500   11.475   42.600   11.432   19.878   2.5000   18.555   2.6874 1.322628 3.670438 
1 1 1   26   14   12 o   17.977   1.7680   39.007   7.4081   45.900   10.472   32.100   10.482   19.368   2.3368   15.994   2.8813 3.374269 3.709828 
1 1 1   26   14   13 o   54.053   3.1549  361.019   40.094  428.000   56.800  294.500   56.604   57.919   4.1811   47.078   5.1773 10.84154 6.654813 
1 1 1   26   14   14 o   14.937   1.7569   27.063   6.0782   24.200   8.6948   29.800   8.5001   13.855   2.7547   15.518   2.3969 -1.663064 3.651486 
1 1 1   26   14   15 o   31.729   2.1699  122.052   16.160  135.000   22.941  109.300   22.767   33.010   2.9751   29.503   3.3260 3.506483 4.462460 
1 1 1   26   14   16 o   25.128   1.9941   76.492   11.735   84.100   16.605   68.900   16.587   26.074   2.7378   23.436   3.0711 2.638071 4.114234 
1 1 1   26   14   17 o   36.884   2.3768  166.037   20.591  189.600   29.253  142.900   28.988   38.916   3.2121   33.417   3.7375 5.498131 4.928111 
1 1 1   26   14   18 o   12.871   1.7255   20.215   5.1123   23.700   7.3802   17.000   7.0884   13.784   2.3518   11.560   2.6529 2.223890 3.545280 
1 1 1   26   14   19 o   15.836   2.6033   31.500   9.3966   0.0000   0.0000   31.500   9.3966  ?   ?    15.836   2.6033 0.000000 2.603287 
1 1 1   26   14   20 f   32.254   3.3821  132.800   25.376   0.0000   0.0000  132.800   25.376  ?   ?    32.254   3.3821 0.000000 3.382121 
1 1 1   26   14   21 o   12.356   2.5238   19.400   7.1150   0.0000   0.0000   19.400   7.1150  ?   ?    12.356   2.5238 0.000000 2.523809 
1 1 1   26   14   22 o   16.105   2.7008   32.900   9.9071   0.0000   0.0000   32.900   9.9071  ?   ?    16.105   2.7008 0.000000 2.700797 
1 1 1   26   14   23 o   33.050   3.5213  141.500   27.058   0.0000   0.0000  141.500   27.058  ?   ?    33.050   3.5213 0.000000 3.521259 
1 1 1   26   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   14   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15    0 o   31.210   3.2602  120.800   23.427  120.800   23.427  120.800   23.427   31.210   3.2602   31.210   3.2602 0.000000 0.000000 
1 1 1   26   15    1 o   24.572   1.9598   72.702   11.277   70.800   15.956   74.600   15.940   23.981   2.8750   24.653   2.7871 -0.6724396 4.004206 
1 1 1   26   15    2 o   12.464   1.6380   18.826   4.7042   13.000   6.6113   24.800   6.6949   10.181   2.7043   14.247   2.0489 -4.066686 3.392856 
1 1 1   26   15    3 o   19.222   1.7991   44.505   8.0710   38.400   11.419   50.600   11.409   17.574   2.8492   20.354   2.4214 -2.779528 3.739115 
1 1 1   26   15    4 f   41.805   2.6792  212.503   26.309  221.500   37.201  203.500   37.213   42.093   3.7832   40.222   3.9698 1.870209 5.483725 
1 1 1   26   15    5 o   31.528   2.1923  119.954   16.220  129.200   22.996  110.800   22.882   32.412   3.0401   29.890   3.2968 2.522053 4.484497 
1 1 1   26   15    6 o   26.057   2.0080   81.802   12.260   87.800   17.335   75.800   17.342   26.761   2.7839   24.761   3.0291 2.000565 4.114074 
1 1 1   26   15    7 o   47.582   2.8655  276.319   32.046  320.700   45.387  232.200   45.253   50.646   3.8232   42.543   4.5765 8.103039 5.963371 
1 1 1   26   15    8 o   17.637   1.7437   37.496   7.1667   39.100   10.149   35.900   10.121   17.834   2.4769   17.042   2.5971 0.7919102 3.588889 
1 1 1   26   15    9 o   25.409   1.9882   77.853   11.834   81.800   16.729   73.900   16.743   25.795   2.7909   24.443   2.9612 1.351818 4.069123 
1 1 1   26   15   10 o   16.366   1.7273   32.347   6.5746   33.800   9.3090   30.900   9.2868   16.553   2.4560   15.778   2.5819 0.7752075 3.563479 
1 1 1   26   15   11 o   20.133   1.8601   48.946   8.7430   57.400   12.331   40.400   12.398   21.648   2.4557   17.934   3.0359 3.713945 3.904782 
1 1 1   26   15   12 o   41.581   2.6848  211.410   26.220  216.200   37.042  206.600   37.120   41.326   3.8398   40.313   3.9502 1.012280 5.508905 
1 1 1   26   15   13 o   43.868   2.6820  235.460   27.650  262.800   39.240  208.500   38.966   45.675   3.6692   40.302   4.1540 5.372952 5.542435 
1 1 1   26   15   14 o   48.337   3.0260  288.855   34.365  312.100   48.594  265.600   48.605   49.231   4.2209   45.012   4.6393 4.219223 6.272096 
1 1 1   26   15   15 f   32.497   2.2451  128.404   17.122  143.700   24.251  113.200   24.178   33.980   3.0550   29.897   3.4906 4.083694 4.638656 
1 1 1   26   15   16 o   12.751   1.6696   19.792   4.9062   26.000   7.0308   13.900   6.8495   14.530   2.1109   10.456   2.7408 4.074510 3.459455 
1 1 1   26   15   17 o   16.550   1.8168   33.291   6.9831   28.000   10.014   38.300   9.7429   14.815   2.9660   17.587   2.4093 -2.772727 3.821251 
1 1 1   26   15   18 o   25.709   2.1187   80.574   12.748   76.000   18.511   84.700   17.581   24.434   3.2921   26.011   2.9124 -1.576784 4.395405 
1 1 1   26   15   19 o   23.124   2.8311   67.100   15.136   0.0000   0.0000   67.100   15.136  ?   ?    23.124   2.8311 0.000000 2.831107 
1 1 1   26   15   20 o   28.969   3.1617  106.500   21.277   0.0000   0.0000  106.500   21.277  ?   ?    28.969   3.1617 0.000000 3.161748 
1 1 1   26   15   21 o   18.307   2.7107   42.300   11.364   0.0000   0.0000   42.300   11.364  ?   ?    18.307   2.7107 0.000000 2.710707 
1 1 1   26   15   22 o   35.031   3.6448  159.600   29.708   0.0000   0.0000  159.600   29.708  ?   ?    35.031   3.6448 0.000000 3.644750 
1 1 1   26   15   23 o   17.412   2.7549   38.500   10.950   0.0000   0.0000   38.500   10.950  ?   ?    17.412   2.7549 0.000000 2.754922 
1 1 1   26   15   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   15   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16    0 o   15.149   2.7861   30.000   8.9726   30.000   8.9726   30.000   8.9726   15.149   2.7861   15.149   2.7861 0.000000 0.000000 
1 1 1   26   16    1 o   39.827   2.5835  192.549   24.165  191.100   34.169  194.000   34.181   39.097   3.7470   39.412   3.7166 -0.3152237 5.277578 
1 1 1   26   16    2 o   28.435   2.0756   97.449   13.841  106.700   19.628   88.300   19.520   29.504   2.8529   26.704   3.1567 2.800299 4.254850 
1 1 1   26   16    3 o   19.047   1.7967   43.710   7.9859   40.900   11.314   46.500   11.274   18.186   2.7179   19.474   2.5102 -1.288095 3.699742 
1 1 1   26   16    4 o   10.696   1.7463   14.001   4.2584   12.100   6.1064   15.800   5.9416   9.8266   2.5937   11.261   2.3119 -1.434354 3.474460 
1 1 1   26   16    5 f   41.383   2.6428  208.233   25.691  246.800   36.340  169.700   36.324   44.609   3.4773   36.478   4.2996 8.131214 5.529759 
1 1 1   26   16    6 o   18.336   1.7607   40.518   7.5296   44.100   10.696   37.000   10.601   18.966   2.4453   17.280   2.6853 1.686197 3.631808 
1 1 1   26   16    7 o   13.988   1.7083   23.700   5.5256   26.700   7.8144   20.700   7.8144   14.715   2.3262   12.841   2.6645 1.874533 3.537037 
1 1 1   26   16    8 o   49.090   3.0313  295.987   34.967  309.900   49.475  282.100   49.428   49.299   4.2928   46.832   4.5260 2.466972 6.237998 
1 1 1   26   16    9 o   9.6040   1.7586   11.364   3.8413   15.100   5.4224   7.6000   5.4427   11.021   2.1608   7.9862   2.5539 3.034958 3.345340 
1 1 1   26   16   10 o   16.871   1.7327   34.385   6.8051   35.600   9.6839   33.200   9.5649   16.974   2.4901   16.361   2.5597 0.6134624 3.571098 
1 1 1   26   16   11 o   39.822   2.5506  193.380   23.858  165.100   33.699  221.800   33.783   35.931   4.0419   42.136   3.4249 -6.204594 5.297828 
1 1 1   26   16   12 o   45.247   2.8570  251.647   30.369  260.000   42.956  243.300   42.940   45.095   4.0780   43.485   4.2355 1.610390 5.879637 
1 1 1   26   16   13 o   34.434   2.3184  144.208   18.741  165.400   26.530  123.100   26.478   36.476   3.1099   31.123   3.6737 5.352812 4.813288 
1 1 1   26   16   14 o   24.064   1.9228   70.065   10.835   64.600   15.207   75.700   15.441   22.755   2.8959   24.744   2.6858 -1.989847 3.949605 
1 1 1   26   16   15 o   18.720   1.8134   42.458   7.9154   46.300   11.182   38.600   11.206   19.342   2.5073   17.534   2.8008 1.808380 3.759104 
1 1 1   26   16   16 o   35.543   2.3901  154.409   19.944  161.100   28.400  147.900   28.013   35.696   3.4108   34.113   3.5286 1.582741 4.907594 
1 1 1   26   16   17 f   33.989   2.1284  140.488   16.997  171.400   24.476  111.700   23.620   37.168   2.8095   29.599   3.4438 7.568768 4.444454 
1 1 1   26   16   18 o   16.334   2.5230   33.400   9.4178   0.0000   0.0000   33.400   9.4178  ?   ?    16.334   2.5230 0.000000 2.523033 
1 1 1   26   16   19 o   15.760   2.5367   31.200   9.1199   0.0000   0.0000   31.200   9.1199  ?   ?    15.760   2.5367 0.000000 2.536713 
1 1 1   26   16   20 o   14.318   2.5335   25.900   8.2522   0.0000   0.0000   25.900   8.2522  ?   ?    14.318   2.5335 0.000000 2.533501 
1 1 1   26   16   21 o   12.229   2.8153   19.300   7.9616   0.0000   0.0000   19.300   7.9616  ?   ?    12.229   2.8153 0.000000 2.815291 
1 1 1   26   16   22 o   5.7952   2.2538   2.7000   4.4295   0.0000   0.0000   2.7000   4.4295  ?   ?    5.7952   2.2538 0.000000 2.253804 
1 1 1   26   16   23 o   6.5489   2.3427   4.6000   4.5888   0.0000   0.0000   4.6000   4.5888  ?   ?    6.5489   2.3427 0.000000 2.342652 
1 1 1   26   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   16   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17    0 o   42.396   3.9612  223.800   38.861  223.800   38.861  223.800   38.861   42.396   3.9612   42.396   3.9612 0.000000 0.000000 
1 1 1   26   17    1 o   10.712   1.6485   13.997   4.0362   11.600   5.6470   16.500   5.7712   9.6205   2.4723   11.533   2.1994 -1.912493 3.309067 
1 1 1   26   17    2 o   33.372   2.3007  134.747   18.020  136.100   25.510  133.400   25.458   33.123   3.3057   32.776   3.3358 0.3473816 4.696290 
1 1 1   26   17    3 o   40.216   2.6041  196.697   24.597  215.100   34.789  178.300   34.783   41.536   3.5819   37.557   3.9828 3.979095 5.356571 
1 1 1   26   17    4 o   10.339   1.6687   13.072   3.9353   19.400   5.6005   6.9000   5.5309   12.585   1.9475   7.7388   2.5814 4.845829 3.233617 
1 1 1   26   17    5 o   17.605   1.7375   37.377   7.1288   34.500   10.042   40.300   10.122   16.679   2.6374   18.115   2.4273 -1.436417 3.584312 
1 1 1   26   17    6 o   67.917   4.0500  582.454   64.658  599.700   91.562  565.300   91.318   66.595   5.8830   64.378   6.0790 2.217308 8.459557 
1 1 1   26   17    7 o   13.907   1.6680   23.418   5.3684   28.000   7.6623   19.000   7.5238   15.096   2.2153   12.280   2.6707 2.816069 3.469885 
1 1 1   26   17    8 o   17.010   1.7109   34.926   6.7790   44.000   9.6267   26.000   9.5476   18.993   2.1863   14.341   2.9187 4.652294 3.646728 
1 1 1   26   17    9 o   29.027   2.1415  102.011   14.575  100.500   20.687  103.500   20.539   28.416   3.1351   28.876   3.0588 -0.4601383 4.380087 
1 1 1   26   17   10 o   18.441   1.7365   41.042   7.4726   33.200   10.497   49.100   10.640   16.265   2.8362   20.036   2.2900 -3.771420 3.645324 
1 1 1   26   17   11 o   28.671   2.1222   99.604   14.266   96.000   20.186  103.200   20.164   27.731   3.1378   28.825   3.0066 -1.094013 4.345742 
1 1 1   26   17   12 o   20.717   1.8520   51.909   8.9644   55.900   12.663   47.900   12.692   21.279   2.5724   19.587   2.8259 1.692123 3.821340 
1 1 1   26   17   13 o   16.911   1.7445   34.632   6.8661   35.800   9.7861   33.500   9.6357   16.976   2.5175   16.393   2.5740 0.5827866 3.600439 
1 1 1   26   17   14 o   34.418   2.3531  144.535   19.010  151.300   26.913  137.800   26.855   34.672   3.3281   32.968   3.5032 1.703876 4.832035 
1 1 1   26   17   15 o   12.247   2.0173   18.543   5.6307   9.3000   8.4582   25.900   7.5457   9.0644   3.1870   14.444   2.2886 -5.379821 3.923594 
1 1 1   26   17   16 f   29.590   2.0809  106.467   14.447  121.300   20.633   92.200   20.236   31.222   2.8293   26.973   3.2420 4.248802 4.302903 
1 1 1   26   17   17 o   36.347   3.6271  169.800   30.715   0.0000   0.0000  169.800   30.715  ?   ?    36.347   3.6271 0.000000 3.627089 
1 1 1   26   17   18 o   8.5399   2.3303   9.2000   4.8302   0.0000   0.0000   9.2000   4.8302  ?   ?    8.5399   2.3303 0.000000 2.330323 
1 1 1   26   17   19 f   17.396   2.5784   38.000   10.271   0.0000   0.0000   38.000   10.271  ?   ?    17.396   2.5784 0.000000 2.578449 
1 1 1   26   17   20 o   17.457   2.5766   38.300   10.302   0.0000   0.0000   38.300   10.302  ?   ?    17.457   2.5766 0.000000 2.576587 
1 1 1   26   17   21 o   52.917   5.2906  397.000   65.223   0.0000   0.0000  397.000   65.223  ?   ?    52.917   5.2906 0.000000 5.290576 
1 1 1   26   17   22 o   23.909   2.9494   72.600   16.299   0.0000   0.0000   72.600   16.299  ?   ?    23.909   2.9494 0.000000 2.949449 
1 1 1   26   17   23 o   10.888   2.6479   15.300   6.7420   0.0000   0.0000   15.300   6.7420  ?   ?    10.888   2.6479 0.000000 2.647873 
1 1 1   26   17   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   17   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18    0 o   13.149   2.8368   23.300   7.7276   23.300   7.7276   23.300   7.7276   13.149   2.8368   13.149   2.8368 0.000000 0.000000 
1 1 1   26   18    1 o   11.161   1.6687   15.190   4.2628   15.800   6.0812   14.600   5.9771   11.240   2.3661   10.790   2.4070 0.4495020 3.375240 
1 1 1   26   18    2 o   24.115   1.9434   70.150   10.973   79.900   15.518   60.400   15.518   25.540   2.6097   22.012   3.0688 3.527376 4.028424 
1 1 1   26   18    3 f   18.011   1.7580   39.141   7.3812   48.400   10.444   29.900   10.434   19.918   2.2604   15.397   2.9774 4.521466 3.738267 
1 1 1   26   18    4 o   12.974   1.6917   20.437   5.0593   22.500   7.1769   18.400   7.1332   13.469   2.3414   12.100   2.5756 1.369672 3.480828 
1 1 1   26   18    5 o   18.920   1.7840   43.200   7.8762   49.600   11.139   36.800   11.139   20.121   2.3911   17.155   2.8497 2.966618 3.719955 
1 1 1   26   18    6 o   4.9720   1.6212   2.8469   2.1861   1.1000   2.9742   4.9000   3.2243   4.5036   1.8159   6.3814   1.9552 -1.877811 2.668364 
1 1 1   26   18    7 o   26.361   2.0247   83.996   12.507   82.000   17.669   86.000   17.707   25.709   2.9648   26.366   2.8914 -0.6569252 4.141311 
1 1 1   26   18    8 o   26.465   2.0358   84.702   12.625   90.300   17.851   79.100   17.858   27.038   2.8382   25.195   3.0647 1.842278 4.177106 
1 1 1   26   18    9 o   45.826   2.8902  258.451   31.115  252.200   44.006  264.700   44.000   44.233   4.2659   45.426   4.1477 -1.192066 5.949942 
1 1 1   26   18   10 o   41.094   2.6645  206.953   25.717  198.600   36.374  215.300   36.363   39.399   3.9635   41.172   3.7825 -1.773521 5.478747 
1 1 1   26   18   11 o   39.038   2.5739  186.600   23.593  193.300   33.366  179.900   33.366   39.038   3.6623   37.541   3.8169 1.497166 5.289722 
1 1 1   26   18   12 o   22.566   1.8775   61.608   9.9138   69.100   14.060   54.200   13.981   23.676   2.5554   20.798   2.9279 2.877989 3.886213 
1 1 1   26   18   13 o   19.007   1.8038   43.751   7.9986   44.300   11.301   43.200   11.322   18.878   2.6045   18.622   2.6495 0.2557201 3.715276 
1 1 1   26   18   14 o   25.534   1.9333   78.981   11.571   89.700   16.663   69.000   16.079   26.932   2.6547   23.455   2.9697 3.476990 3.983330 
1 1 1   26   18   15 o   35.876   2.3784  157.638   20.034  171.400   28.612  144.400   28.062   36.799   3.3287   33.570   3.5959 3.228973 4.900125 
1 1 1   26   18   16 o   32.044   3.3383  130.600   24.889   0.0000   0.0000  130.600   24.889  ?   ?    32.044   3.3383 0.000000 3.338251 
1 1 1   26   18   17 o   5.5181   1.9654   3.2000   3.2266   0.0000   0.0000   3.2000   3.2266  ?   ?    5.5181   1.9654 0.000000 1.965421 
1 1 1   26   18   18 o   26.940   3.0515   91.900   19.070   0.0000   0.0000   91.900   19.070  ?   ?    26.940   3.0515 0.000000 3.051535 
1 1 1   26   18   19 o   17.272   2.5791   37.500   10.197   0.0000   0.0000   37.500   10.197  ?   ?    17.272   2.5791 0.000000 2.579113 
1 1 1   26   18   20 o   17.497   2.6398   38.600   10.568   0.0000   0.0000   38.600   10.568  ?   ?    17.497   2.6398 0.000000 2.639837 
1 1 1   26   18   21 o   10.545   2.6472   14.300   6.5817   0.0000   0.0000   14.300   6.5817  ?   ?    10.545   2.6472 0.000000 2.647224 
1 1 1   26   18   22 o   11.849   2.6785   18.100   7.3181   0.0000   0.0000   18.100   7.3181  ?   ?    11.849   2.6785 0.000000 2.678510 
1 1 1   26   18   23 o   12.980   2.6824   21.700   7.9498   0.0000   0.0000   21.700   7.9498  ?   ?    12.980   2.6824 0.000000 2.682401 
1 1 1   26   18   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   18   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19    0 o   38.828   3.7238  188.000   33.421  188.000   33.421  188.000   33.421   38.828   3.7238   38.828   3.7238 0.000000 0.000000 
1 1 1   26   19    1 o   35.769   2.4020  155.493   20.171  161.200   28.543  149.800   28.509   35.918   3.4060   34.536   3.5461 1.382027 4.916855 
1 1 1   26   19    2 o   39.507   2.4908  189.952   23.118  165.600   32.595  214.600   32.793   36.115   3.8831   41.497   3.3759 -5.381660 5.145384 
1 1 1   26   19    3 o   16.038   1.7069   31.091   6.3649   39.800   9.0321   22.500   8.9709   18.055   2.1614   13.313   2.9328 4.742226 3.643243 
1 1 1   26   19    4 o   23.511   1.9146   66.736   10.537   75.400   14.914   58.100   14.890   24.785   2.5863   21.575   3.0042 3.209141 3.964086 
1 1 1   26   19    5 o   21.273   1.8714   54.666   9.3050   56.500   13.102   52.800   13.217   21.394   2.6502   20.626   2.7849 0.7688179 3.844375 
1 1 1   26   19    6 o   35.247   2.3432  150.976   19.392  172.000   27.472  130.100   27.376   37.213   3.1561   32.043   3.6851 5.170147 4.851889 
1 1 1   26   19    7 o   19.998   1.8093   48.314   8.4514   53.700   11.993   43.000   11.912   20.894   2.4791   18.560   2.8054 2.334093 3.743869 
1 1 1   26   19    8 o   29.819   2.1448  107.828   15.001  111.600   21.278  104.100   21.153   29.945   3.0518   28.862   3.1552 1.083073 4.389601 
1 1 1   26   19    9 o   15.999   1.7166   31.000   6.3842   37.100   9.0665   25.000   8.9912   17.372   2.2640   14.053   2.8077 3.319194 3.606744 
1 1 1   26   19   10 o   19.086   1.7301   44.002   7.7127   53.200   10.998   35.100   10.819   20.843   2.2713   16.697   2.8461 4.145430 3.641276 
1 1 1   26   19   11 o   24.771   1.9761   74.350   11.462   86.100   16.210   62.600   16.210   26.417   2.6338   22.265   3.1730 4.151598 4.123638 
1 1 1   26   19   12 o   39.601   2.5841  192.528   24.033  198.500   34.051  186.600   33.924   39.443   3.6992   38.143   3.8177 1.299572 5.315882 
1 1 1   26   19   13 o   14.591   1.7336   25.905   5.8563   28.700   8.2750   23.100   8.2893   15.182   2.3870   13.496   2.6954 1.686044 3.600427 
1 1 1   26   19   14 o   33.527   2.2507  137.267   17.715  153.400   25.198  121.500   24.911   34.957   3.0842   30.834   3.4823 4.123123 4.651741 
1 1 1   26   19   15 o   24.067   1.9327   70.373   10.891   77.600   15.910   64.000   14.941   24.935   2.7476   22.566   2.8687 2.369381 3.972270 
1 1 1   26   19   16 o   18.070   2.5883   40.900   10.729   0.0000   0.0000   40.900   10.729  ?   ?    18.070   2.5883 0.000000 2.588338 
1 1 1   26   19   17 f   27.282   3.0759   94.300   19.470   0.0000   0.0000   94.300   19.470  ?   ?    27.282   3.0759 0.000000 3.075920 
1 1 1   26   19   18 o   17.365   2.5873   37.900   10.285   0.0000   0.0000   37.900   10.285  ?   ?    17.365   2.5873 0.000000 2.587325 
1 1 1   26   19   19 o   9.1312   2.3871   10.600   5.2048   0.0000   0.0000   10.600   5.2048  ?   ?    9.1312   2.3871 0.000000 2.387078 
1 1 1   26   19   20 o   31.560   3.4274  128.500   25.132   0.0000   0.0000  128.500   25.132  ?   ?    31.560   3.4274 0.000000 3.427359 
1 1 1   26   19   21 o   12.587   2.7085   20.400   7.8116   0.0000   0.0000   20.400   7.8116  ?   ?    12.587   2.7085 0.000000 2.708532 
1 1 1   26   19   22 o   16.915   2.8371   36.700   10.931   0.0000   0.0000   36.700   10.931  ?   ?    16.915   2.8371 0.000000 2.837061 
1 1 1   26   19   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   19   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20    0 o   0.6873   0.5094  -2.5000   0.6892  -2.5000   0.6892  -2.5000   0.6892   0.6873   0.5094   0.6873   0.5094 0.000000 0.000000 
1 1 1   26   20    1 f   37.463   2.4957  171.157   21.952  189.800   31.038  152.500   31.050   38.936   3.4102   34.593   3.8673 4.342560 5.156131 
1 1 1   26   20    2 o   48.905   3.0491  295.554   35.037  305.500   49.539  285.600   49.559   48.620   4.3613   46.837   4.5379 1.783875 6.293904 
1 1 1   26   20    3 o   51.602   3.2304  330.849   39.164  300.700   55.431  360.900   55.341   47.574   5.0095   52.716   4.4885 -5.141582 6.726162 
1 1 1   26   20    4 o   38.443   2.5440  180.560   22.964  176.900   32.521  184.200   32.430   37.339   3.7387   38.174   3.6418 -0.8346291 5.219232 
1 1 1   26   20    5 o   9.5449   1.7558   11.248   3.8116   15.300   5.3280   7.0000   5.4551   11.091   2.1116   7.7391   2.5628 3.351507 3.320603 
1 1 1   26   20    6 o   15.348   1.7319   28.562   6.1670   32.800   8.7088   24.300   8.7343   16.301   2.3286   13.865   2.7647 2.436104 3.614706 
1 1 1   26   20    7 o   18.375   1.7960   40.870   7.6930   39.200   10.945   42.500   10.815   17.723   2.7007   18.522   2.5396 -0.7997494 3.707189 
1 1 1   26   20    8 o   8.7446   1.7361   9.4770   3.4584   10.800   4.8426   8.1000   4.9406   9.2668   2.2382   8.1003   2.4070 1.166475 3.286802 
1 1 1   26   20    9 o   17.489   1.7620   37.043   7.1775   43.400   10.156   30.700   10.145   18.776   2.3416   15.581   2.8628 3.194968 3.698479 
1 1 1   26   20   10 o   29.659   2.1764  107.005   15.136  104.200   21.426  109.800   21.385   28.781   3.2072   29.608   3.1049 -0.8265057 4.463886 
1 1 1   26   20   11 o   56.611   3.4570  404.825   45.992  424.700   65.166  385.100   64.919   56.097   4.9709   53.027   5.2538 3.070644 7.232709 
1 1 1   26   20   12 o   19.640   1.8638   46.855   8.5405   42.200   12.151   51.400   12.006   18.265   2.9153   20.340   2.5561 -2.074780 3.877231 
1 1 1   26   20   13 o   60.065   3.5233  458.981   49.755  525.300   70.589  393.500   70.141   62.353   4.8319   52.620   5.7379 9.733276 7.501406 
1 1 1   26   20   14 f  ?   ?   -4.1420   0.5791  -5.4000   3.2215  -4.1000   0.5887   3.0016   1.4562  ?   ?  0.000000 1.456160 
1 1 1   26   20   15 o   46.245   4.4609  286.400   48.109   0.0000   0.0000  286.400   48.109  ?   ?    46.245   4.4609 0.000000 4.460944 
1 1 1   26   20   16 o   14.104   2.5104   25.100   8.0543   0.0000   0.0000   25.100   8.0543  ?   ?    14.104   2.5104 0.000000 2.510418 
1 1 1   26   20   17 o   21.779   2.7815   59.700   13.978   0.0000   0.0000   59.700   13.978  ?   ?    21.779   2.7815 0.000000 2.781547 
1 1 1   26   20   18 o   17.245   2.5847   37.400   10.201   0.0000   0.0000   37.400   10.201  ?   ?    17.245   2.5847 0.000000 2.584675 
1 1 1   26   20   19 o   36.087   3.6851  169.800   30.961   0.0000   0.0000  169.800   30.961  ?   ?    36.087   3.6851 0.000000 3.685064 
1 1 1   26   20   20 o   22.513   2.8596   64.300   14.859   0.0000   0.0000   64.300   14.859  ?   ?    22.513   2.8596 0.000000 2.859565 
1 1 1   26   20   21 o   16.588   2.7242   35.100   10.300   0.0000   0.0000   35.100   10.300  ?   ?    16.588   2.7242 0.000000 2.724188 
1 1 1   26   20   22 o   4.4611   1.9101   0.0000   3.5869   0.0000   0.0000   0.0000   3.5869  ?   ?    4.4611   1.9101 0.000000 1.910136 
1 1 1   26   20   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   20   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21    0 f   43.916   4.0932  242.600   41.599  242.600   41.599  242.600   41.599   43.916   4.0932   43.916   4.0932 0.000000 0.000000 
1 1 1   26   21    1 o   26.147   2.0150   82.788   12.345   80.800   17.406   84.800   17.512   25.473   2.9482   26.131   2.8863 -0.6571445 4.125866 
1 1 1   26   21    2 o   31.214   2.2189  118.381   16.249  121.800   23.044  115.000   22.915   31.216   3.1701   30.280   3.2560 0.9368763 4.544384 
1 1 1   26   21    3 o   11.645   1.6907   16.560   4.5132   20.800   6.3751   12.300   6.3901   12.962   2.1587   9.8666   2.6753 3.095448 3.437682 
1 1 1   26   21    4 o   27.107   2.0370   89.026   12.943   98.300   18.329   79.800   18.280   28.187   2.7904   25.218   3.1377 2.969374 4.198934 
1 1 1   26   21    5 o   12.122   1.6573   17.900   4.6196   15.900   6.4556   20.000   6.6135   11.220   2.5005   12.666   2.2957 -1.446219 3.394550 
1 1 1   26   21    6 o   7.6640   1.6858   7.3041   2.9680   10.500   4.2282   4.2000   4.1671   9.1642   2.0093   6.2955   2.2345 2.868710 3.005012 
1 1 1   26   21    7 o   23.235   1.9261   65.400   10.473   65.000   14.806   65.800   14.815   22.848   2.8031   22.998   2.7848 -0.1494656 3.951251 
1 1 1   26   21    8 f   18.133   1.7761   39.836   7.5072   43.100   10.639   36.600   10.595   18.654   2.4764   17.085   2.7171 1.569420 3.676287 
1 1 1   26   21    9 o   20.569   1.8554   51.306   8.9146   58.500   12.602   44.100   12.612   21.754   2.4986   18.678   2.9582 3.075722 3.872186 
1 1 1   26   21   10 o   26.860   2.1495   87.969   13.519   72.900   19.228  102.700   19.011   23.804   3.5274   28.708   2.8417 -4.904011 4.529671 
1 1 1   26   21   11 o   8.7080   1.8613   9.4711   3.7112   5.0000   5.4641   13.300   5.0565   6.9845   2.5484   10.292   2.1499 -3.307655 3.334130 
1 1 1   26   21   12 o   20.831   1.8562   52.695   9.0352   46.900   12.773   58.500   12.783   19.264   2.8976   21.706   2.5420 -2.442390 3.854638 
1 1 1   26   21   13 o   26.223   1.9427   83.545   11.944   98.800   17.096   69.000   16.694   28.231   2.5935   23.307   3.1110 4.924173 4.050251 
1 1 1   26   21   14 o   21.830   2.7542   59.800   13.882   0.0000   0.0000   59.800   13.882  ?   ?    21.830   2.7542 0.000000 2.754240 
1 1 1   26   21   15 o   5.0100   1.9216   2.1000   3.1868   0.0000   0.0000   2.1000   3.1868  ?   ?    5.0100   1.9216 0.000000 1.921577 
1 1 1   26   21   16 o   33.558   3.4563  144.700   26.997   0.0000   0.0000  144.700   26.997  ?   ?    33.558   3.4563 0.000000 3.456258 
1 1 1   26   21   17 o   28.474   3.1171  103.000   20.616   0.0000   0.0000  103.000   20.616  ?   ?    28.474   3.1171 0.000000 3.117130 
1 1 1   26   21   18 o   23.160   2.8457   67.800   15.236   0.0000   0.0000   67.800   15.236  ?   ?    23.160   2.8457 0.000000 2.845669 
1 1 1   26   21   19 o   40.132   4.0303  214.500   37.678   0.0000   0.0000  214.500   37.678  ?   ?    40.132   4.0303 0.000000 4.030324 
1 1 1   26   21   20 o   25.058   3.0273   80.300   17.550   0.0000   0.0000   80.300   17.550  ?   ?    25.058   3.0273 0.000000 3.027282 
1 1 1   26   21   21 f   14.743   2.7369   28.000   9.1776   0.0000   0.0000   28.000   9.1776  ?   ?    14.743   2.7369 0.000000 2.736901 
1 1 1   26   21   22 o   16.968   2.7495   37.100   10.640   0.0000   0.0000   37.100   10.640  ?   ?    16.968   2.7495 0.000000 2.749533 
1 1 1   26   21   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   21   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22    0 o   30.848   3.2562  119.000   23.114  119.000   23.114  119.000   23.114   30.848   3.2562   30.848   3.2562 0.000000 0.000000 
1 1 1   26   22    1 o   33.593   2.1677  137.017   17.104  112.000   24.054  162.600   24.325   29.706   3.4960   36.246   2.8654 -6.540344 4.520259 
1 1 1   26   22    2 o   34.870   2.3860  148.450   19.528  148.700   27.597  148.200   27.638   34.296   3.4547   34.230   3.4671 0.6634903E-01 4.894440 
1 1 1   26   22    3 o   16.376   1.7281   32.497   6.5812   33.100   9.3342   31.900   9.2805   16.307   2.5040   15.991   2.5429 0.3166761 3.568830 
1 1 1   26   22    4 o   33.067   2.3039  133.352   17.877  132.400   25.310  134.300   25.254   32.381   3.3590   32.637   3.3233 -0.2554245 4.725118 
1 1 1   26   22    5 o   6.6638   1.7752   5.5201   2.8435   8.2000   3.9710   2.7000   4.0735   8.0869   2.0706   5.6657   2.1726 2.421195 3.001273 
1 1 1   26   22    6 o   10.114   1.7090   12.597   3.9363   14.200   5.4888   10.900   5.6480   10.626   2.2572   9.2879   2.5139 1.338213 3.378500 
1 1 1   26   22    7 o   22.804   1.9320   63.128   10.306   55.600   14.602   70.600   14.548   20.973   3.0368   23.861   2.6254 -2.887964 4.014324 
1 1 1   26   22    8 o   33.237   2.2961  135.014   17.911  142.800   25.558  127.500   25.106   33.623   3.2601   31.658   3.4123 1.964027 4.719342 
1 1 1   26   22    9 f   15.850   1.7614   30.559   6.4813   30.300   9.3291   30.800   9.0111   15.511   2.6417   15.684   2.5182 -0.1730270 3.649636 
1 1 1   26   22   10 o   44.723   2.9005  249.096   30.466  240.300   43.199  257.800   42.973   42.577   4.3582   44.326   4.1540 -1.749664 6.020741 
1 1 1   26   22   11 o   30.823   2.2098  116.129   15.977  124.200   22.625  108.100   22.566   31.384   3.0932   29.108   3.3438 2.275883 4.555041 
1 1 1   26   22   12 o   18.275   1.8591   40.684   7.9108   40.900   11.651   40.500   10.776   17.971   2.8399   17.971   2.6161 0.5531311E-04 3.861193 
1 1 1   26   22   13 o   8.1721   2.2521   8.4000   4.4854   0.0000   0.0000   8.4000   4.4854  ?   ?    8.1721   2.2521 0.000000 2.252103 
1 1 1   26   22   14 o   31.468   3.3098  126.400   24.226   0.0000   0.0000  126.400   24.226  ?   ?    31.468   3.3098 0.000000 3.309772 
1 1 1   26   22   15 o   30.417   3.2422  117.900   22.928   0.0000   0.0000  117.900   22.928  ?   ?    30.417   3.2422 0.000000 3.242152 
1 1 1   26   22   16 o   12.320   2.5072   19.300   7.0460   0.0000   0.0000   19.300   7.0460  ?   ?    12.320   2.5072 0.000000 2.507189 
1 1 1   26   22   17 o   11.105   2.4062   15.700   6.1274   0.0000   0.0000   15.700   6.1274  ?   ?    11.105   2.4062 0.000000 2.406173 
1 1 1   26   22   18 o   23.619   2.8891   70.800   15.777   0.0000   0.0000   70.800   15.777  ?   ?    23.619   2.8891 0.000000 2.889133 
1 1 1   26   22   19 o   19.355   2.7976   47.700   12.416   0.0000   0.0000   47.700   12.416  ?   ?    19.355   2.7976 0.000000 2.797624 
1 1 1   26   22   20 o   44.112   4.5296  271.300   46.513   0.0000   0.0000  271.300   46.513  ?   ?    44.112   4.5296 0.000000 4.529572 
1 1 1   26   22   21 o   22.010   2.9380   62.600   14.888   0.0000   0.0000   62.600   14.888  ?   ?    22.010   2.9380 0.000000 2.937992 
1 1 1   26   22   22 o   17.604   2.7580   40.200   11.088   0.0000   0.0000   40.200   11.088  ?   ?    17.604   2.7580 0.000000 2.758047 
1 1 1   26   22   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   22   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23    0 o   7.8181   2.9469   9.9000   5.0926   9.9000   5.0926   9.9000   5.0926   7.8181   2.9469   7.8181   2.9469 0.000000 0.000000 
1 1 1   26   23    1 o   18.116   1.7767   39.797   7.5023   42.800   10.615   36.800   10.605   18.571   2.4828   17.117   2.7143 1.454111 3.678544 
1 1 1   26   23    2 o   21.421   1.8654   55.641   9.3414   59.900   13.225   51.400   13.197   21.970   2.5996   20.235   2.8400 1.734192 3.850125 
1 1 1   26   23    3 o   13.242   1.6790   21.356   5.1323   18.000   7.1615   24.900   7.3589   11.899   2.6197   14.150   2.2798 -2.251121 3.472815 
1 1 1   26   23    4 f   24.592   1.9854   73.470   11.431   81.900   16.146   65.000   16.185   25.676   2.7036   22.665   3.1058 3.011250 4.117719 
1 1 1   26   23    5 o   11.816   1.6965   17.084   4.5978   18.700   6.5342   15.500   6.4708   12.199   2.3535   11.044   2.5349 1.155087 3.459010 
1 1 1   26   23    6 o   13.206   1.6946   21.262   5.1624   19.900   7.3338   22.600   7.2681   12.533   2.5645   13.432   2.3786 -0.8991690 3.497732 
1 1 1   26   23    7 o   28.051   2.1136   95.893   13.897   97.300   19.702   94.500   19.606   27.801   3.0514   27.374   3.0870 0.4265232 4.340527 
1 1 1   26   23    8 o   14.230   1.7957   24.741   5.8996   19.600   8.4634   29.600   8.2281   12.328   2.9473   15.423   2.3321 -3.095147 3.758353 
1 1 1   26   23    9 o   5.0536   1.6585   2.9482   2.2864   9.6000   3.4809  -2.1000   3.0324   8.7878   1.7390   3.5173   1.6124 5.270510 2.371513 
1 1 1   26   23   10 o   3.0816   1.2865   0.2220   1.5604  -2.9000   2.3731   2.6000   2.0712   2.8010   1.3294   4.7690   1.5791 -1.968024 2.064198 
1 1 1   26   23   11 f   10.807   2.3672   14.800   5.8737   0.0000   0.0000   14.800   5.8737  ?   ?    10.807   2.3672 0.000000 2.367161 
1 1 1   26   23   12 o   24.095   2.9197   73.200   16.273   0.0000   0.0000   73.200   16.273  ?   ?    24.095   2.9197 0.000000 2.919690 
1 1 1   26   23   13 o   14.504   2.5046   26.500   8.2677   0.0000   0.0000   26.500   8.2677  ?   ?    14.504   2.5046 0.000000 2.504568 
1 1 1   26   23   14 o   36.722   3.7191  175.200   31.805   0.0000   0.0000  175.200   31.805  ?   ?    36.722   3.7191 0.000000 3.719114 
1 1 1   26   23   15 o   13.247   2.5482   22.300   7.6816   0.0000   0.0000   22.300   7.6816  ?   ?    13.247   2.5482 0.000000 2.548150 
1 1 1   26   23   16 o   5.2974   1.9633   2.7000   3.2633   0.0000   0.0000   2.7000   3.2633  ?   ?    5.2974   1.9633 0.000000 1.963261 
1 1 1   26   23   17 o   1.8480   0.8909  -1.8000   1.1599   0.0000   0.0000  -1.8000   1.1599  ?   ?    1.8480   0.8909 0.000000 0.8909221 
1 1 1   26   23   18 o   13.434   2.5155   23.000   7.6867   0.0000   0.0000   23.000   7.6867  ?   ?    13.434   2.5155 0.000000 2.515514 
1 1 1   26   23   19 o   4.5872   1.9274   0.5000   3.5372   0.0000   0.0000   0.5000   3.5372  ?   ?    4.5872   1.9274 0.000000 1.927436 
1 1 1   26   23   20 o   7.4253   2.4978   6.6000   5.1789   0.0000   0.0000   6.6000   5.1789  ?   ?    7.4253   2.4978 0.000000 2.497827 
1 1 1   26   23   21 o   22.645   2.9676   67.000   15.487   0.0000   0.0000   67.000   15.487  ?   ?    22.645   2.9676 0.000000 2.967630 
1 1 1   26   23   22 o   9.9490   2.7958   13.200   6.8408   0.0000   0.0000   13.200   6.8408  ?   ?    9.9490   2.7958 0.000000 2.795842 
1 1 1   26   23   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   23   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24    0 o   30.330   3.2385  115.500   22.528  115.500   22.528  115.500   22.528   30.330   3.2385   30.330   3.2385 0.000000 0.000000 
1 1 1   26   24    1 o   15.524   1.7398   29.309   6.2680   31.400   8.8450   27.200   8.8837   15.864   2.4393   14.669   2.6628 1.194818 3.611202 
1 1 1   26   24    2 o   21.912   1.9399   58.391   9.9338   70.200   13.995   46.400   14.103   23.812   2.5276   19.007   3.2594 4.805204 4.124644 
1 1 1   26   24    3 o   1.3176   0.6599  -2.4801   0.8726  -4.0000   1.0786   0.4000   1.4847  ?   ?    3.1068   1.2717 0.000000 1.271727 
1 1 1   26   24    4 o   18.505   1.7650   41.548   7.6187   46.400   10.833   36.800   10.716   19.346   2.4247   17.079   2.7506 2.266533 3.666765 
1 1 1   26   24    5 o   25.241   2.0303   77.588   11.999   74.300   17.069   80.800   16.871   24.246   3.0487   25.391   2.8638 -1.145836 4.182878 
1 1 1   26   24    6 o   11.102   1.7219   15.147   4.3677   18.300   6.3402   12.300   6.0255   12.067   2.3092   9.8276   2.5680 2.239120 3.453603 
1 1 1   26   24    7 o   37.594   2.5477  174.339   22.483  151.600   31.823  197.000   31.768   33.968   4.0471   39.283   3.4601 -5.315041 5.324547 
1 1 1   26   24    8 o   14.278   1.7069   24.840   5.6410   29.600   8.0291   20.200   7.9269   15.436   2.2706   12.561   2.7489 2.875665 3.565421 
1 1 1   26   24    9 o   5.0522   1.7129   2.8596   2.4357   0.6000   3.5835   4.8000   3.3208   4.6669   1.9490   6.3245   1.9920 -1.657594 2.786879 
1 1 1   26   24   10 o   7.7571   2.2506   7.5000   4.3643   0.0000   0.0000   7.5000   4.3643  ?   ?    7.7571   2.2506 0.000000 2.250630 
1 1 1   26   24   11 o   10.292   2.4793   13.500   5.9541   0.0000   0.0000   13.500   5.9541  ?   ?    10.292   2.4793 0.000000 2.479321 
1 1 1   26   24   12 o   16.491   2.5735   34.200   9.6938   0.0000   0.0000   34.200   9.6938  ?   ?    16.491   2.5735 0.000000 2.573452 
1 1 1   26   24   13 o   11.903   2.5726   18.100   7.0202   0.0000   0.0000   18.100   7.0202  ?   ?    11.903   2.5726 0.000000 2.572630 
1 1 1   26   24   14 o   18.146   2.6321   41.500   10.949   0.0000   0.0000   41.500   10.949  ?   ?    18.146   2.6321 0.000000 2.632134 
1 1 1   26   24   15 o   10.031   2.5197   12.900   5.9604   0.0000   0.0000   12.900   5.9604  ?   ?    10.031   2.5197 0.000000 2.519719 
1 1 1   26   24   16 o   18.075   2.6270   41.300   10.884   0.0000   0.0000   41.300   10.884  ?   ?    18.075   2.6270 0.000000 2.626977 
1 1 1   26   24   17 o   23.437   2.9099   70.200   15.758   0.0000   0.0000   70.200   15.758  ?   ?    23.437   2.9099 0.000000 2.909869 
1 1 1   26   24   18 o   16.703   2.8082   36.000   10.683   0.0000   0.0000   36.000   10.683  ?   ?    16.703   2.8082 0.000000 2.808203 
1 1 1   26   24   19 o   13.432   2.6381   23.400   8.0691   0.0000   0.0000   23.400   8.0691  ?   ?    13.432   2.6381 0.000000 2.638087 
1 1 1   26   24   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   21 o   7.0667   2.4605   5.9000   5.0356   0.0000   0.0000   5.9000   5.0356  ?   ?    7.0667   2.4605 0.000000 2.460510 
1 1 1   26   24   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   24   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25    0 o   26.383   3.0394   87.600   18.282   87.600   18.282   87.600   18.282   26.383   3.0394   26.383   3.0394 0.000000 0.000000 
1 1 1   26   25    1 o   22.821   1.9111   63.293   10.204   57.700   14.422   68.900   14.439   21.376   2.9346   23.523   2.6454 -2.146618 3.950960 
1 1 1   26   25    2 o   13.203   1.7309   21.300   5.2665   16.100   7.4846   26.400   7.4119   11.191   2.8304   14.580   2.2232 -3.389169 3.599089 
1 1 1   26   25    3 o   28.342   1.9968   97.642   13.278  117.500   18.903   78.300   18.656   30.794   2.6246   24.769   3.2695 6.024837 4.192635 
1 1 1   26   25    4 o   27.090   2.0525   89.400   13.032   94.000   18.533   84.900   18.329   27.368   2.9125   25.922   3.0529 1.445923 4.219325 
1 1 1   26   25    5 o   38.295   2.5386  180.870   22.825  195.200   32.371  166.700   32.190   39.013   3.5528   35.771   3.8727 3.242271 5.255445 
1 1 1   26   25    6 f   29.381   2.1004  105.257   14.476  124.000   20.552   86.800   20.394   31.534   2.7888   26.006   3.4027 5.528549 4.399476 
1 1 1   26   25    7 o   40.911   2.6972  207.520   25.910  200.500   36.695  214.500   36.591   39.092   4.0332   40.608   3.8624 -1.515720 5.584347 
1 1 1   26   25    8 o   14.485   1.7399   25.591   5.8319   35.000   8.5489   17.400   7.9760   16.828   2.2044   11.609   2.9141 5.219058 3.653958 
1 1 1   26   25    9 o   12.659   2.4981   20.300   7.2020   0.0000   0.0000   20.300   7.2020  ?   ?    12.659   2.4981 0.000000 2.498053 
1 1 1   26   25   10 o   12.364   2.4896   19.400   7.0170   0.0000   0.0000   19.400   7.0170  ?   ?    12.364   2.4896 0.000000 2.489551 
1 1 1   26   25   11 o   25.612   2.9637   83.000   17.593   0.0000   0.0000   83.000   17.593  ?   ?    25.612   2.9637 0.000000 2.963696 
1 1 1   26   25   12 o   16.064   2.5961   32.600   9.5115   0.0000   0.0000   32.600   9.5115  ?   ?    16.064   2.5961 0.000000 2.596055 
1 1 1   26   25   13 o   18.770   2.6345   44.400   11.355   0.0000   0.0000   44.400   11.355  ?   ?    18.770   2.6345 0.000000 2.634506 
1 1 1   26   25   14 o   16.235   2.5520   33.300   9.4608   0.0000   0.0000   33.300   9.4608  ?   ?    16.235   2.5520 0.000000 2.552008 
1 1 1   26   25   15 o   23.511   2.8496   70.300   15.497   0.0000   0.0000   70.300   15.497  ?   ?    23.511   2.8496 0.000000 2.849604 
1 1 1   26   25   16 o   6.4514   2.1451   4.9000   3.8204   0.0000   0.0000   4.9000   3.8204  ?   ?    6.4514   2.1451 0.000000 2.145080 
1 1 1   26   25   17 o   17.539   2.6675   39.400   10.700   0.0000   0.0000   39.400   10.700  ?   ?    17.539   2.6675 0.000000 2.667528 
1 1 1   26   25   18 o   18.435   2.8156   44.100   11.868   0.0000   0.0000   44.100   11.868  ?   ?    18.435   2.8156 0.000000 2.815590 
1 1 1   26   25   19 o   13.800   2.8092   25.200   8.8427   0.0000   0.0000   25.200   8.8427  ?   ?    13.800   2.8092 0.000000 2.809163 
1 1 1   26   25   20 f   9.8831   2.6354   13.000   6.2632   0.0000   0.0000   13.000   6.2632  ?   ?    9.8831   2.6354 0.000000 2.635447 
1 1 1   26   25   21 o   16.248   2.8591   35.400   10.569   0.0000   0.0000   35.400   10.569  ?   ?    16.248   2.8591 0.000000 2.859076 
1 1 1   26   25   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   25   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26    0 o   6.6076   2.7702   7.4000   4.3397   7.4000   4.3397   7.4000   4.3397   6.6076   2.7702   6.6076   2.7702 0.000000 0.000000 
1 1 1   26   26    1 o   33.480   2.3368  137.494   18.358  148.500   25.970  126.500   25.955   34.216   3.2533   31.342   3.5706 2.873901 4.830469 
1 1 1   26   26    2 o   32.029   2.1823  125.288   16.407  148.200   23.312  102.800   23.095   34.426   2.8946   28.243   3.5409 6.183748 4.573434 
1 1 1   26   26    3 o   35.242   2.3811  152.527   19.699  159.400   28.009  145.800   27.711   35.345   3.3978   33.690   3.5361 1.655006 4.903975 
1 1 1   26   26    4 o   30.694   2.2362  115.331   16.096  108.500   22.815  122.100   22.712   29.119   3.3810   31.068   3.1389 -1.949007 4.613453 
1 1 1   26   26    5 o   19.090   1.8350   44.337   8.1702   42.200   11.657   46.400   11.455   18.276   2.7894   19.266   2.5828 -0.9896851 3.801565 
1 1 1   26   26    6 f   39.043   2.6038  188.691   23.867  195.400   33.776  182.000   33.731   38.817   3.7308   37.316   3.8850 1.501606 5.386317 
1 1 1   26   26    7 o   2.1651   0.9875  -0.7316   1.1185  -8.4000   3.3982   0.2000   1.1845   2.7216   1.3534   2.7059   1.1245 0.1569200E-01 1.759604 
1 1 1   26   26    8 o   19.641   2.6770   48.500   12.092   0.0000   0.0000   48.500   12.092  ?   ?    19.641   2.6770 0.000000 2.677022 
1 1 1   26   26    9 o   8.6867   2.5607   9.5000   5.6099   0.0000   0.0000   9.5000   5.6099  ?   ?    8.6867   2.5607 0.000000 2.560697 
1 1 1   26   26   10 o   12.155   2.4834   18.800   6.8873   0.0000   0.0000   18.800   6.8873  ?   ?    12.155   2.4834 0.000000 2.483403 
1 1 1   26   26   11 o   7.3652   2.2370   6.7000   4.2332   0.0000   0.0000   6.7000   4.2332  ?   ?    7.3652   2.2370 0.000000 2.237015 
1 1 1   26   26   12 o   15.391   2.5586   30.000   8.9726   0.0000   0.0000   30.000   8.9726  ?   ?    15.391   2.5586 0.000000 2.558625 
1 1 1   26   26   13 o   41.474   4.1569  232.400   40.163   0.0000   0.0000  232.400   40.163  ?   ?    41.474   4.1569 0.000000 4.156912 
1 1 1   26   26   14 o   18.729   2.6636   44.600   11.448   0.0000   0.0000   44.600   11.448  ?   ?    18.729   2.6636 0.000000 2.663574 
1 1 1   26   26   15 o   16.391   2.5888   34.300   9.6874   0.0000   0.0000   34.300   9.6874  ?   ?    16.391   2.5888 0.000000 2.588828 
1 1 1   26   26   16 o   22.397   2.8737   64.800   14.848   0.0000   0.0000   64.800   14.848  ?   ?    22.397   2.8737 0.000000 2.873661 
1 1 1   26   26   17 o   7.6933   2.5380   7.3000   5.3522   0.0000   0.0000   7.3000   5.3522  ?   ?    7.6933   2.5380 0.000000 2.538032 
1 1 1   26   26   18 o   19.116   2.8295   48.000   12.386   0.0000   0.0000   48.000   12.386  ?   ?    19.116   2.8295 0.000000 2.829524 
1 1 1   26   26   19 o   29.002   3.3915  115.100   22.788   0.0000   0.0000  115.100   22.788  ?   ?    29.002   3.3915 0.000000 3.391487 
1 1 1   26   26   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   21 o   15.344   2.7718   31.800   9.6737   0.0000   0.0000   31.800   9.6737  ?   ?    15.344   2.7718 0.000000 2.771831 
1 1 1   26   26   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   26   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27    0 o   3.9011   2.3019   2.1000   3.6296   2.1000   3.6296   2.1000   3.6296   3.9011   2.3019   3.9011   2.3019 0.000000 0.000000 
1 1 1   26   27    1 o   27.026   2.1163   89.315   13.398   79.700   19.012   98.800   18.884   24.912   3.3142   28.027   2.8950 -3.115427 4.400558 
1 1 1   26   27    2 o   21.730   1.9206   57.541   9.7535   44.800   13.816   70.200   13.771   18.606   3.2635   23.780   2.4894 -5.173838 4.104558 
1 1 1   26   27    3 o   22.534   1.9467   61.908   10.257   56.000   14.578   67.700   14.434   20.961   3.0334   23.259   2.6769 -2.297232 4.045681 
1 1 1   26   27    4 o   24.287   2.0334   72.062   11.554   56.500   16.400   87.400   16.282   20.834   3.4546   26.474   2.6397 -5.640188 4.347648 
1 1 1   26   27    5 o   12.574   1.7289   19.383   4.9976   20.200   7.1443   18.600   6.9934   12.617   2.4864   12.082   2.5322 0.5349026 3.548825 
1 1 1   26   27    6 o   17.392   2.6063   38.100   10.374   0.0000   0.0000   38.100   10.374  ?   ?    17.392   2.6063 0.000000 2.606280 
1 1 1   26   27    7 o   14.949   2.5105   28.200   8.5475   0.0000   0.0000   28.200   8.5475  ?   ?    14.949   2.5105 0.000000 2.510462 
1 1 1   26   27    8 o   17.641   2.5913   39.200   10.473   0.0000   0.0000   39.200   10.473  ?   ?    17.641   2.5913 0.000000 2.591300 
1 1 1   26   27    9 o   26.778   3.0572   91.400   18.985   0.0000   0.0000   91.400   18.985  ?   ?    26.778   3.0572 0.000000 3.057246 
1 1 1   26   27   10 o  ?   ?   -2.8000   0.7179   0.0000   0.0000  -2.8000   0.7179  ?   ?   ?   ?  0.000000      ? 
1 1 1   26   27   11 o   37.744   3.8567  189.700   33.891   0.0000   0.0000  189.700   33.891  ?   ?    37.744   3.8567 0.000000 3.856677 
1 1 1   26   27   12 o   15.078   2.5668   29.000   8.8118   0.0000   0.0000   29.000   8.8118  ?   ?    15.078   2.5668 0.000000 2.566805 
1 1 1   26   27   13 o   21.132   2.7621   57.100   13.453   0.0000   0.0000   57.100   13.453  ?   ?    21.132   2.7621 0.000000 2.762110 
1 1 1   26   27   14 o   6.0250   2.0901   4.1000   3.6320   0.0000   0.0000   4.1000   3.6320  ?   ?    6.0250   2.0901 0.000000 2.090109 
1 1 1   26   27   15 o   19.882   2.7421   51.100   12.531   0.0000   0.0000   51.100   12.531  ?   ?    19.882   2.7421 0.000000 2.742125 
1 1 1   26   27   16 o   4.0015   1.7819  -1.1000   3.3983   0.0000   0.0000  -1.1000   3.3983  ?   ?    4.0015   1.7819 0.000000 1.781865 
1 1 1   26   27   17 o   10.223   2.6224   13.900   6.3614   0.0000   0.0000   13.900   6.3614  ?   ?    10.223   2.6224 0.000000 2.622406 
1 1 1   26   27   18 o   4.4436   1.8738   0.5000   3.3627   0.0000   0.0000   0.5000   3.3627  ?   ?    4.4436   1.8738 0.000000 1.873847 
1 1 1   26   27   19 o   18.730   2.8668   47.200   12.276   0.0000   0.0000   47.200   12.276  ?   ?    18.730   2.8668 0.000000 2.866826 
1 1 1   26   27   20 o   22.127   3.1082   67.500   15.792   0.0000   0.0000   67.500   15.792  ?   ?    22.127   3.1082 0.000000 3.108175 
1 1 1   26   27   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   27   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28    0 o   42.868   4.1175  235.400   40.797  235.400   40.797  235.400   40.797   42.868   4.1175   42.868   4.1175 0.000000 0.000000 
1 1 1   26   28    1 o   5.7391   1.7973   3.9520   2.7077   5.9000   3.6978   1.7000   3.9759   6.9241   2.0880   5.2416   2.1044 1.682409 2.964551 
1 1 1   26   28    2 o   12.116   1.7381   18.040   4.8304   16.600   6.6985   19.600   6.9722   11.389   2.5538   12.423   2.4637 -1.034800 3.548505 
1 1 1   26   28    3 o   25.222   2.0182   77.750   11.920   89.000   16.857   66.500   16.857   26.644   2.7174   22.722   3.2328 3.921104 4.223176 
1 1 1   26   28    4 o   13.616   1.7795   22.742   5.5846   26.500   7.8548   18.900   7.9416   14.523   2.3724   12.081   2.8329 2.441363 3.695084 
1 1 1   26   28    5 o   25.018   2.9511   79.500   17.098   0.0000   0.0000   79.500   17.098  ?   ?    25.018   2.9511 0.000000 2.951062 
1 1 1   26   28    6 o   11.543   2.5596   17.100   6.7940   0.0000   0.0000   17.100   6.7940  ?   ?    11.543   2.5596 0.000000 2.559585 
1 1 1   26   28    7 o   24.035   2.8924   73.500   16.087   0.0000   0.0000   73.500   16.087  ?   ?    24.035   2.8924 0.000000 2.892415 
1 1 1   26   28    8 o   34.201   3.5578  153.400   28.313   0.0000   0.0000  153.400   28.313  ?   ?    34.201   3.5578 0.000000 3.557760 
1 1 1   26   28    9 o   23.549   2.8681   70.800   15.619   0.0000   0.0000   70.800   15.619  ?   ?    23.549   2.8681 0.000000 2.868077 
1 1 1   26   28   10 o   37.070   3.8151  184.200   32.919   0.0000   0.0000  184.200   32.919  ?   ?    37.070   3.8151 0.000000 3.815146 
1 1 1   26   28   11 o   17.818   2.6418   40.600   10.779   0.0000   0.0000   40.600   10.779  ?   ?    17.818   2.6418 0.000000 2.641774 
1 1 1   26   28   12 o   14.440   2.5254   26.800   8.2976   0.0000   0.0000   26.800   8.2976  ?   ?    14.440   2.5254 0.000000 2.525401 
1 1 1   26   28   13 o   17.649   2.7272   40.400   11.000   0.0000   0.0000   40.400   11.000  ?   ?    17.649   2.7272 0.000000 2.727207 
1 1 1   26   28   14 o   4.8639   2.0254   0.9000   3.8536   0.0000   0.0000   0.9000   3.8536  ?   ?    4.8639   2.0254 0.000000 2.025372 
1 1 1   26   28   15 o   18.841   2.7372   46.500   11.822   0.0000   0.0000   46.500   11.822  ?   ?    18.841   2.7372 0.000000 2.737232 
1 1 1   26   28   16 o   23.922   3.0959   77.000   17.078   0.0000   0.0000   77.000   17.078  ?   ?    23.922   3.0959 0.000000 3.095892 
1 1 1   26   28   17 o   13.047   2.6689   22.800   7.9451   0.0000   0.0000   22.800   7.9451  ?   ?    13.047   2.6689 0.000000 2.668911 
1 1 1   26   28   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28   19 o   14.794   2.8091   29.800   9.4544   0.0000   0.0000   29.800   9.4544  ?   ?    14.794   2.8091 0.000000 2.809082 
1 1 1   26   28   20 o   15.110   2.8171   31.300   9.6815   0.0000   0.0000   31.300   9.6815  ?   ?    15.110   2.8171 0.000000 2.817125 
1 1 1   26   28   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   28   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   29    0 o   15.019   2.8807   30.100   9.1288   30.100   9.1288   30.100   9.1288   15.019   2.8807   15.019   2.8807 0.000000 0.000000 
1 1 1   26   29    1 o   11.868   1.8073   17.423   4.9050   15.200   6.8229   19.800   7.0565   10.832   2.6817   12.448   2.4876 -1.615766 3.657831 
1 1 1   26   29    2 o   1.8646   0.9138  -2.6936   1.3636   2.5000   2.2764  -5.6000   1.7029   4.7767   1.6548   1.7360   0.8762 3.040726 1.872492 
1 1 1   26   29    3 o   18.639   2.7052   44.200   11.559   0.0000   0.0000   44.200   11.559  ?   ?    18.639   2.7052 0.000000 2.705192 
1 1 1   26   29    4 o   10.423   2.5069   14.000   6.0947   0.0000   0.0000   14.000   6.0947  ?   ?    10.423   2.5069 0.000000 2.506884 
1 1 1   26   29    5 o   18.357   2.7164   43.000   11.419   0.0000   0.0000   43.000   11.419  ?   ?    18.357   2.7164 0.000000 2.716403 
1 1 1   26   29    6 o   21.891   2.8608   61.400   14.434   0.0000   0.0000   61.400   14.434  ?   ?    21.891   2.8608 0.000000 2.860798 
1 1 1   26   29    7 o   31.974   3.4340  134.600   25.521   0.0000   0.0000  134.600   25.521  ?   ?    31.974   3.4340 0.000000 3.434047 
1 1 1   26   29    8 o   12.241   2.6632   19.500   7.4790   0.0000   0.0000   19.500   7.4790  ?   ?    12.241   2.6632 0.000000 2.663214 
1 1 1   26   29    9 f   19.811   2.7709   50.600   12.608   0.0000   0.0000   50.600   12.608  ?   ?    19.811   2.7709 0.000000 2.770853 
1 1 1   26   29   10 o   18.125   2.6481   42.300   10.999   0.0000   0.0000   42.300   10.999  ?   ?    18.125   2.6481 0.000000 2.648058 
1 1 1   26   29   11 o   26.728   3.1607   94.600   19.562   0.0000   0.0000   94.600   19.562  ?   ?    26.728   3.1607 0.000000 3.160716 
1 1 1   26   29   12 o   19.407   2.7312   49.100   12.170   0.0000   0.0000   49.100   12.170  ?   ?    19.407   2.7312 0.000000 2.731168 
1 1 1   26   29   13 o   11.038   2.4648   16.000   6.2621   0.0000   0.0000   16.000   6.2621  ?   ?    11.038   2.4648 0.000000 2.464799 
1 1 1   26   29   14 o   7.0535   2.2980   6.2000   4.3928   0.0000   0.0000   6.2000   4.3928  ?   ?    7.0535   2.2980 0.000000 2.298006 
1 1 1   26   29   15 o   24.500   3.1974   82.100   18.056   0.0000   0.0000   82.100   18.056  ?   ?    24.500   3.1974 0.000000 3.197360 
1 1 1   26   29   16 o   5.4261   2.2103   1.9000   4.4573   0.0000   0.0000   1.9000   4.4573  ?   ?    5.4261   2.2103 0.000000 2.210268 
1 1 1   26   29   17 o   29.567   3.5925  125.200   24.567   0.0000   0.0000  125.200   24.567  ?   ?    29.567   3.5925 0.000000 3.592520 
1 1 1   26   29   18 o   5.9857   2.3558   3.2000   4.8866   0.0000   0.0000   3.2000   4.8866  ?   ?    5.9857   2.3558 0.000000 2.355750 
1 1 1   26   29   19 o   6.2169   2.3445   4.1000   4.6938   0.0000   0.0000   4.1000   4.6938  ?   ?    6.2169   2.3445 0.000000 2.344475 
1 1 1   26   29   20 o   24.519   3.2647   85.600   18.432   0.0000   0.0000   85.600   18.432  ?   ?    24.519   3.2647 0.000000 3.264678 
1 1 1   26   29   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   29   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   29   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   30    0 o   10.014   2.9469   14.900   6.0559   14.900   6.0559   14.900   6.0559   10.014   2.9469   10.014   2.9469 0.000000 0.000000 
1 1 1   26   30    1 o   12.533   2.6434   20.400   7.5773   0.0000   0.0000   20.400   7.5773  ?   ?    12.533   2.6434 0.000000 2.643444 
1 1 1   26   30    2 o   37.300   3.9004  189.200   33.846   0.0000   0.0000  189.200   33.846  ?   ?    37.300   3.9004 0.000000 3.900393 
1 1 1   26   30    3 o   6.1239   2.2392   3.9000   4.2217   0.0000   0.0000   3.9000   4.2217  ?   ?    6.1239   2.2392 0.000000 2.239176 
1 1 1   26   30    4 o   30.235   3.3391  120.800   23.442   0.0000   0.0000  120.800   23.442  ?   ?    30.235   3.3391 0.000000 3.339066 
1 1 1   26   30    5 o   21.997   2.8538   62.600   14.474   0.0000   0.0000   62.600   14.474  ?   ?    21.997   2.8538 0.000000 2.853757 
1 1 1   26   30    6 o   20.117   2.7920   52.400   12.905   0.0000   0.0000   52.400   12.905  ?   ?    20.117   2.7920 0.000000 2.791967 
1 1 1   26   30    7 o   13.284   2.6723   23.100   8.0922   0.0000   0.0000   23.100   8.0922  ?   ?    13.284   2.6723 0.000000 2.672339 
1 1 1   26   30    8 o   6.6662   2.3747   5.0000   4.7104   0.0000   0.0000   5.0000   4.7104  ?   ?    6.6662   2.3747 0.000000 2.374670 
1 1 1   26   30    9 o   10.580   2.6047   14.800   6.4637   0.0000   0.0000   14.800   6.4637  ?   ?    10.580   2.6047 0.000000 2.604717 
1 1 1   26   30   10 o   17.271   2.7251   39.100   10.745   0.0000   0.0000   39.100   10.745  ?   ?    17.271   2.7251 0.000000 2.725126 
1 1 1   26   30   11 f   18.752   2.8213   46.500   12.106   0.0000   0.0000   46.500   12.106  ?   ?    18.752   2.8213 0.000000 2.821302 
1 1 1   26   30   12 o   9.5281   2.5486   12.100   5.8459   0.0000   0.0000   12.100   5.8459  ?   ?    9.5281   2.5486 0.000000 2.548569 
1 1 1   26   30   13 o   16.656   2.9171   37.500   11.055   0.0000   0.0000   37.500   11.055  ?   ?    16.656   2.9171 0.000000 2.917072 
1 1 1   26   30   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   30   15 o   18.856   2.8515   48.000   12.300   0.0000   0.0000   48.000   12.300  ?   ?    18.856   2.8515 0.000000 2.851542 
1 1 1   26   30   16 o   6.3031   2.2878   4.5000   4.3954   0.0000   0.0000   4.5000   4.3954  ?   ?    6.3031   2.2878 0.000000 2.287789 
1 1 1   26   30   17 o   4.7250   1.9563   1.1000   3.5660   0.0000   0.0000   1.1000   3.5660  ?   ?    4.7250   1.9563 0.000000 1.956312 
1 1 1   26   30   18 o   10.024   2.6995   13.900   6.5326   0.0000   0.0000   13.900   6.5326  ?   ?    10.024   2.6995 0.000000 2.699542 
1 1 1   26   30   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   30   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   30   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   30   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31    1 o   7.7674   2.6204   7.4000   5.6998   0.0000   0.0000   7.4000   5.6998  ?   ?    7.7674   2.6204 0.000000 2.620401 
1 1 1   26   31    2 o   14.707   2.6221   28.200   8.7721   0.0000   0.0000   28.200   8.7721  ?   ?    14.707   2.6221 0.000000 2.622113 
1 1 1   26   31    3 o   32.382   3.5684  143.200   26.832   0.0000   0.0000  143.200   26.832  ?   ?    32.382   3.5684 0.000000 3.568395 
1 1 1   26   31    4 o   27.130   3.2163   98.400   20.203   0.0000   0.0000   98.400   20.203  ?   ?    27.130   3.2163 0.000000 3.216302 
1 1 1   26   31    5 o   18.907   2.7428   46.700   11.888   0.0000   0.0000   46.700   11.888  ?   ?    18.907   2.7428 0.000000 2.742791 
1 1 1   26   31    6 o   8.1504   2.3521   8.6000   4.7783   0.0000   0.0000   8.6000   4.7783  ?   ?    8.1504   2.3521 0.000000 2.352140 
1 1 1   26   31    7 o   24.037   3.0350   77.000   16.842   0.0000   0.0000   77.000   16.842  ?   ?    24.037   3.0350 0.000000 3.034956 
1 1 1   26   31    8 o   24.440   3.0549   80.100   17.245   0.0000   0.0000   80.100   17.245  ?   ?    24.440   3.0549 0.000000 3.054919 
1 1 1   26   31    9 o   25.000   3.0989   84.400   17.902   0.0000   0.0000   84.400   17.902  ?   ?    25.000   3.0989 0.000000 3.098896 
1 1 1   26   31   10 o   26.964   3.2446   99.600   20.244   0.0000   0.0000   99.600   20.244  ?   ?    26.964   3.2446 0.000000 3.244594 
1 1 1   26   31   11 o   21.945   2.9823   65.100   15.054   0.0000   0.0000   65.100   15.054  ?   ?    21.945   2.9823 0.000000 2.982313 
1 1 1   26   31   12 o   6.2696   2.3800   4.0000   4.8574   0.0000   0.0000   4.0000   4.8574  ?   ?    6.2696   2.3800 0.000000 2.380020 
1 1 1   26   31   13 o   8.5765   2.7257   9.8000   6.2068   0.0000   0.0000   9.8000   6.2068  ?   ?    8.5765   2.7257 0.000000 2.725685 
1 1 1   26   31   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   31   19 o   16.307   2.9876   37.400   11.080   0.0000   0.0000   37.400   11.080  ?   ?    16.307   2.9876 0.000000 2.987575 
1 1 1   26   31   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32    3 o   8.7079   2.6505  10.0000   5.9383   0.0000   0.0000  10.0000   5.9383  ?   ?    8.7079   2.6505 0.000000 2.650537 
1 1 1   26   32    4 o   11.611   2.6164   18.000   7.0016   0.0000   0.0000   18.000   7.0016  ?   ?    11.611   2.6164 0.000000 2.616357 
1 1 1   26   32    5 o   18.543   2.8183   45.800   11.952   0.0000   0.0000   45.800   11.952  ?   ?    18.543   2.8183 0.000000 2.818259 
1 1 1   26   32    6 o   18.466   2.8416   45.600   11.994   0.0000   0.0000   45.600   11.994  ?   ?    18.466   2.8416 0.000000 2.841592 
1 1 1   26   32    7 o   3.6053   1.5950  -0.7000   2.6795   0.0000   0.0000  -0.7000   2.6795  ?   ?    3.6053   1.5950 0.000000 1.594972 
1 1 1   26   32    8 o   5.4381   2.1337   2.5000   3.9971   0.0000   0.0000   2.5000   3.9971  ?   ?    5.4381   2.1337 0.000000 2.133661 
1 1 1   26   32    9 o   13.811   2.7272   25.700   8.5784   0.0000   0.0000   25.700   8.5784  ?   ?    13.811   2.7272 0.000000 2.727172 
1 1 1   26   32   10 o   8.7686   2.5919   10.300   5.7406   0.0000   0.0000   10.300   5.7406  ?   ?    8.7686   2.5919 0.000000 2.591915 
1 1 1   26   32   11 o   8.5556   2.5557   9.8000   5.5592   0.0000   0.0000   9.8000   5.5592  ?   ?    8.5556   2.5557 0.000000 2.555723 
1 1 1   26   32   12 o   9.8643   2.8883   13.500   7.1586   0.0000   0.0000   13.500   7.1586  ?   ?    9.8643   2.8883 0.000000 2.888324 
1 1 1   26   32   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   32   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33    5 o   24.921   3.3277   86.600   19.094   0.0000   0.0000   86.600   19.094  ?   ?    24.921   3.3277 0.000000 3.327665 
1 1 1   26   33    6 o   9.1000   2.4894   11.100   5.5040   0.0000   0.0000   11.100   5.5040  ?   ?    9.1000   2.4894 0.000000 2.489393 
1 1 1   26   33    7 o   29.191   3.4688  120.900   23.442   0.0000   0.0000  120.900   23.442  ?   ?    29.191   3.4688 0.000000 3.468771 
1 1 1   26   33    8 f   1.2298   0.6224  -3.1000   0.8928   0.0000   0.0000  -3.1000   0.8928  ?   ?    1.2298   0.6224 0.000000 0.6223609 
1 1 1   26   33    9 o   4.2490   1.8166   0.2000   3.2352   0.0000   0.0000   0.2000   3.2352  ?   ?    4.2490   1.8166 0.000000 1.816563 
1 1 1   26   33   10 o   18.631   2.8801   47.400   12.263   0.0000   0.0000   47.400   12.263  ?   ?    18.631   2.8801 0.000000 2.880142 
1 1 1   26   33   11 o   13.013   3.0315   23.900   9.1424   0.0000   0.0000   23.900   9.1424  ?   ?    13.013   3.0315 0.000000 3.031488 
1 1 1   26   33   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   33   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34    7 o   8.2672   2.6659   9.1000   5.9209   0.0000   0.0000   9.1000   5.9209  ?   ?    8.2672   2.6659 0.000000 2.665867 
1 1 1   26   34    8 o   5.0644   2.0561   1.7000   3.8412   0.0000   0.0000   1.7000   3.8412  ?   ?    5.0644   2.0561 0.000000 2.056060 
1 1 1   26   34    9 o   5.2034   2.1490   1.5000   4.2877   0.0000   0.0000   1.5000   4.2877  ?   ?    5.2034   2.1490 0.000000 2.149009 
1 1 1   26   34   10 o   3.3965   1.6219  -4.5000   3.6428   0.0000   0.0000  -4.5000   3.6428  ?   ?    3.3965   1.6219 0.000000 1.621901 
1 1 1   26   34   11 o   3.3949   1.5821  -2.6000   3.1003   0.0000   0.0000  -2.6000   3.1003  ?   ?    3.3949   1.5821 0.000000 1.582077 
1 1 1   26   34   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   34   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   35   10 o   9.2455   2.6959   11.800   6.2481   0.0000   0.0000   11.800   6.2481  ?   ?    9.2455   2.6959 0.000000 2.695931 
1 1 1   26   36    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   36    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   36    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   36    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   36    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   26   36    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0    1 o   32.315   2.2668  126.171   17.102  126.171   17.102  126.171   17.102   32.315   2.2668   32.315   2.2668 0.000000 0.000000 
1 1 1   27    0    2 o   2.5488   1.6177   0.2446   2.1154   0.2446   2.1154   0.2446   2.1154   2.5488   1.6177   2.5488   1.6177 0.000000 0.000000 
1 1 1   27    0    3 o   79.440   4.5663  778.928   85.010  778.928   85.010  778.928   85.010   79.440   4.5663   79.440   4.5663 0.000000 0.000000 
1 1 1   27    0    4 o   28.738   2.1576   99.922   14.452   99.922   14.452   99.922   14.452   28.738   2.1576   28.738   2.1576 0.000000 0.000000 
1 1 1   27    0    5 o   19.814   1.8872   47.880   8.6455   47.880   8.6455   47.880   8.6455   19.814   1.8872   19.814   1.8872 0.000000 0.000000 
1 1 1   27    0    6 o   6.0504   2.4632   6.0725   3.4561   6.0725   3.4561   6.0725   3.4561   6.0504   2.4632   6.0504   2.4632 0.000000 0.000000 
1 1 1   27    0    7 o   7.6339   2.4159   8.7217   3.8301   8.7217   3.8301   8.7217   3.8301   7.6339   2.4159   7.6339   2.4159 0.000000 0.000000 
1 1 1   27    0    8 o   24.155   2.0503   70.873   11.501   70.873   11.501   70.873   11.501   24.155   2.0503   24.155   2.0503 0.000000 0.000000 
1 1 1   27    0    9 o   68.404   4.0548  574.560   64.969  574.560   64.969  574.560   64.969   68.404   4.0548   68.404   4.0548 0.000000 0.000000 
1 1 1   27    0   10 o   10.525   2.2094   14.774   4.8358   14.774   4.8358   14.774   4.8358   10.525   2.2094   10.525   2.2094 0.000000 0.000000 
1 1 1   27    0   11 o   40.963   2.6340  203.134   25.237  203.134   25.237  203.134   25.237   40.963   2.6340   40.963   2.6340 0.000000 0.000000 
1 1 1   27    0   12 o   2.4156   1.5596  -0.0396   2.0736  -0.0396   2.0736  -0.0396   2.0736   2.4156   1.5596   2.4156   1.5596 0.000000 0.000000 
1 1 1   27    0   13 o   29.569   2.1772  105.844   15.012  105.844   15.012  105.844   15.012   29.569   2.1772   29.569   2.1772 0.000000 0.000000 
1 1 1   27    0   14 o   39.078   2.5340  184.934   23.157  184.934   23.157  184.934   23.157   39.078   2.5340   39.078   2.5340 0.000000 0.000000 
1 1 1   27    0   15 o   6.2806   2.5227   6.5205   3.6395   6.5205   3.6395   6.5205   3.6395   6.2806   2.5227   6.2806   2.5227 0.000000 0.000000 
1 1 1   27    0   16 o  ?   ?   -3.4907   0.7766  -3.4907   0.7766  -3.4907   0.7766  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   27    0   17 o   10.556   2.1806   14.839   4.7982   14.839   4.7982   14.839   4.7982   10.556   2.1806   10.556   2.1806 0.000000 0.000000 
1 1 1   27    0   18 o   35.331   2.4394  151.720   20.129  151.720   20.129  151.720   20.129   35.331   2.4394   35.331   2.4394 0.000000 0.000000 
1 1 1   27    0   19 o   1.5242   1.0925  -2.9879   1.8459  -2.9879   1.8459  -2.9879   1.8459   1.5242   1.0925   1.5242   1.0925 0.000000 0.000000 
1 1 1   27    0   20 o   20.088   2.9556   51.700   13.130   51.700   13.130   51.700   13.130   20.088   2.9556   20.088   2.9556 0.000000 0.000000 
1 1 1   27    0   21 o   7.2240   3.2927   9.2000   6.0980   9.2000   6.0980   9.2000   6.0980   7.2240   3.2927   7.2240   3.2927 0.000000 0.000000 
1 1 1   27    0   22 o   4.4011   2.5775   2.8000   4.4903   2.8000   4.4903   2.8000   4.4903   4.4011   2.5775   4.4011   2.5775 0.000000 0.000000 
1 1 1   27    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    0   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1    0 o   14.040   2.7920   26.100   8.2210   26.100   8.2210   26.100   8.2210   14.040   2.7920   14.040   2.7920 0.000000 0.000000 
1 1 1   27    1    1 o   16.981   1.7199   34.731   6.8013   38.900   9.7631   30.800   9.4803   17.831   2.3780   15.765   2.6399 2.065598 3.553050 
1 1 1   27    1    2 o   49.543   2.9711  299.586   34.598  267.300   48.806  332.200   49.054   45.779   4.5762   51.461   4.0700 -5.682487 6.124224 
1 1 1   27    1    3 o   18.280   1.7728   40.244   7.5563   38.200   10.670   42.300   10.702   17.593   2.6507   18.571   2.5043 -0.9779339 3.646603 
1 1 1   27    1    4 o   64.286   3.8246  514.330   57.797  546.900   81.762  481.800   81.712   64.690   5.4018   60.244   5.8162 4.446178 7.937778 
1 1 1   27    1    5 o   9.0532   1.5303   10.019   3.1548   18.200   4.6790   3.2000   4.2720   12.248   1.6606   5.9633   2.2391 6.284548 2.787707 
1 1 1   27    1    6 o   22.753   1.8972   62.319   10.100   65.200   14.363   59.500   14.206   23.060   2.6882   21.981   2.8006 1.078878 3.881936 
1 1 1   27    1    7 o   60.083   3.6180  447.662   51.092  439.000   72.304  456.300   72.207   57.898   5.3490   59.169   5.2216 -1.270695 7.475121 
1 1 1   27    1    8 o   38.854   2.5330  183.077   23.113  195.600   32.716  170.600   32.657   39.685   3.5280   36.897   3.8026 2.787964 5.187161 
1 1 1   27    1    9 o   23.114   1.9202   64.350   10.386   62.200   14.688   66.500   14.688   22.465   2.8317   23.274   2.7241 -0.8092518 3.929264 
1 1 1   27    1   10 o   59.182   3.5763  434.610   49.744  418.700   70.371  450.500   70.327   56.445   5.3432   58.806   5.1155 -2.360828 7.397219 
1 1 1   27    1   11 o   11.275   1.6976   15.500   4.3795   9.9000   6.1935   21.100   6.1935   8.9807   2.7010   13.110   2.0693 -4.129218 3.402532 
1 1 1   27    1   12 o   33.697   2.3212  137.449   18.357  135.200   25.957  139.700   25.964   32.971   3.3819   33.549   3.3210 -0.5784721 4.739868 
1 1 1   27    1   13 o   58.077   3.5178  419.150   48.016  424.800   68.210  413.600   67.604   56.914   5.1306   56.124   5.1588 0.7896576 7.275746 
1 1 1   27    1   14 o   39.613   2.5871  191.204   24.067  202.300   34.030  180.100   34.042   40.165   3.6272   37.726   3.8764 2.438576 5.308752 
1 1 1   27    1   15 o   17.361   1.6811   36.354   6.8056   43.600   9.7981   29.600   9.4599   18.885   2.2409   15.382   2.7031 3.502962 3.511209 
1 1 1   27    1   16 o   39.686   2.5716  192.453   23.970  217.400   33.931  167.600   33.866   41.619   3.4846   36.146   4.0367 5.472340 5.332662 
1 1 1   27    1   17 o   39.193   2.5657  187.930   23.614  199.900   33.424  176.000   33.367   39.773   3.5977   37.119   3.8633 2.653999 5.279079 
1 1 1   27    1   18 f   44.607   2.8099  245.478   29.446  259.700   41.750  231.400   41.538   44.945   3.9748   42.190   4.2262 2.755119 5.801717 
1 1 1   27    1   19 o   31.395   2.2177  120.080   16.335  127.900   23.284  112.500   22.924   31.934   3.1279   29.829   3.3103 2.104309 4.554359 
1 1 1   27    1   20 o   8.2931   2.3692   8.6000   4.8706   0.0000   0.0000   8.6000   4.8706  ?   ?    8.2931   2.3692 0.000000 2.369178 
1 1 1   27    1   21 o   16.035   2.5678   32.300   9.3945   0.0000   0.0000   32.300   9.3945  ?   ?    16.035   2.5678 0.000000 2.567801 
1 1 1   27    1   22 o   28.671   3.1357  104.400   20.883   0.0000   0.0000  104.400   20.883  ?   ?    28.671   3.1357 0.000000 3.135682 
1 1 1   27    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    1   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2    0 o   42.366   3.9577  222.900   38.799  222.900   38.799  222.900   38.799   42.366   3.9577   42.366   3.9577 0.000000 0.000000 
1 1 1   27    2    1 o   14.355   1.6946   24.900   5.6333   26.300   7.9666   23.500   7.9666   14.602   2.3933   13.749   2.5476 0.8534899 3.495509 
1 1 1   27    2    2 o   25.741   1.9815   79.740   11.952   86.900   16.974   72.700   16.832   26.659   2.7351   24.273   3.0004 2.385132 4.059959 
1 1 1   27    2    3 o   40.673   2.6248  200.752   25.075  187.200   35.465  214.300   35.459   38.622   3.9440   41.514   3.6544 -2.892139 5.376763 
1 1 1   27    2    4 o   31.272   2.1996  117.966   16.139  109.500   22.780  126.500   22.870   29.732   3.3003   32.082   3.0557 -2.350344 4.497731 
1 1 1   27    2    5 o   12.299   1.6733   18.357   4.7336   29.700   6.7374   7.3000   6.6519   15.659   1.8583   8.1401   2.8283 7.519189 3.384170 
1 1 1   27    2    6 o   26.198   1.9317   82.543   11.866  101.300   16.875   64.200   16.688   28.869   2.5001   22.709   3.2010 6.160900 4.061623 
1 1 1   27    2    7 o   32.733   2.2689  129.425   17.429  134.200   24.713  124.700   24.584   32.967   3.2154   31.718   3.3322 1.249203 4.630598 
1 1 1   27    2    8 f   18.399   1.7977   40.805   7.7104   38.500   10.916   43.100   10.892   17.639   2.7074   18.735   2.5265 -1.096025 3.703116 
1 1 1   27    2    9 o   4.6812   1.5918   2.4119   2.1034  -1.3000   3.0219   5.9000   2.9294   3.7343   1.6703   6.9006   1.7845 -3.166296 2.444239 
1 1 1   27    2   10 o   32.245   2.2763  125.729   17.221  135.500   24.318  115.900   24.391   33.136   3.1456   30.492   3.4481 2.644251 4.667371 
1 1 1   27    2   11 o   21.207   1.8545   54.190   9.1937   55.200   13.066   53.200   12.939   21.183   2.6715   20.781   2.7006 0.4018211 3.798683 
1 1 1   27    2   12 o   34.468   2.3573  143.898   19.071  144.200   27.048  143.600   26.893   34.045   3.4103   33.980   3.3971 0.6500626E-01 4.813620 
1 1 1   27    2   13 o   19.384   1.8169   45.328   8.2196   49.700   11.654   41.000   11.594   20.122   2.5072   18.163   2.7928 1.959124 3.753103 
1 1 1   27    2   14 o   37.052   2.4588  166.887   21.390  174.000   30.279  159.800   30.223   37.315   3.4763   35.654   3.6409 1.660851 5.033950 
1 1 1   27    2   15 o   69.825   4.2554  623.747   69.829  595.600   98.835  651.800   98.670   64.978   6.5299   68.595   6.1571 -3.617897 8.974922 
1 1 1   27    2   16 o   31.754   2.2480  122.448   16.747  123.100   23.717  121.800   23.650   31.375   3.2482   31.203   3.2578 0.1723957 4.600461 
1 1 1   27    2   17 o   41.621   2.6847  212.572   26.246  238.700   37.137  186.500   37.097   43.434   3.6549   37.951   4.2106 5.482952 5.575596 
1 1 1   27    2   18 o   44.356   2.8311  242.945   29.498  244.900   41.769  241.000   41.664   43.502   4.1150   43.127   4.1421 0.3744926 5.838673 
1 1 1   27    2   19 o   21.467   1.8916   55.889   9.4907   56.800   13.503   55.000   13.342   21.340   2.7431   20.988   2.7589 0.3519344 3.890516 
1 1 1   27    2   20 o   12.335   2.4666   19.200   6.9333   0.0000   0.0000   19.200   6.9333  ?   ?    12.335   2.4666 0.000000 2.466610 
1 1 1   27    2   21 o   18.992   2.6439   45.200   11.535   0.0000   0.0000   45.200   11.535  ?   ?    18.992   2.6439 0.000000 2.643902 
1 1 1   27    2   22 o   6.8435   2.2628   5.5000   4.2533   0.0000   0.0000   5.5000   4.2533  ?   ?    6.8435   2.2628 0.000000 2.262766 
1 1 1   27    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    2   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3    0 o   40.036   3.8114  198.900   35.283  198.900   35.283  198.900   35.283   40.036   3.8114   40.036   3.8114 0.000000 0.000000 
1 1 1   27    3    1 o   30.336   2.1149  110.845   15.055   94.800   21.222  127.100   21.361   27.640   3.3178   32.252   2.8335 -4.611383 4.363089 
1 1 1   27    3    2 o   29.343   2.1690  103.850   14.922   84.600   21.131  123.000   21.076   26.006   3.5324   31.718   2.8442 -5.712440 4.535125 
1 1 1   27    3    3 o   24.482   1.9759   72.174   11.325   67.900   16.061   76.400   15.972   23.456   2.9661   24.970   2.7546 -1.514790 4.047905 
1 1 1   27    3    4 o   22.866   1.8660   62.889   9.9876   82.700   14.164   43.300   14.085   26.123   2.3204   18.537   3.3406 7.585442 4.067442 
1 1 1   27    3    5 o   12.183   1.7478   18.064   4.8841   13.300   6.9933   22.600   6.8243   10.300   2.8012   13.553   2.2085 -3.252128 3.567079 
1 1 1   27    3    6 o   40.522   2.6198  199.401   24.934  204.200   35.258  194.600   35.264   40.443   3.7341   39.415   3.8376 1.028515 5.354501 
1 1 1   27    3    7 o   21.851   1.8809   57.495   9.6104   59.600   13.606   55.400   13.576   22.039   2.6689   21.204   2.7782 0.8349590 3.852475 
1 1 1   27    3    8 o   40.460   2.6116  198.800   24.818  198.700   35.111  198.900   35.084   39.858   3.7755   39.881   3.7702 -0.2344513E-01 5.335611 
1 1 1   27    3    9 o   52.034   3.1836  332.694   38.930  320.300   55.041  345.100   55.069   49.904   4.7271   51.981   4.5317 -2.077171 6.548446 
1 1 1   27    3   10 o   7.1382   1.8231   6.3229   3.0840   4.3000   4.5098   8.1000   4.2269   6.4692   2.3215   8.0740   2.1703 -1.604806 3.177990 
1 1 1   27    3   11 o   36.812   2.4227  164.240   20.942  173.400   29.715  155.200   29.520   37.371   3.4046   35.240   3.5979 2.130947 4.953421 
1 1 1   27    3   12 o   29.294   2.1005  103.555   14.434   86.900   20.355  120.400   20.470   26.382   3.3422   31.349   2.7946 -4.966778 4.356621 
1 1 1   27    3   13 o   19.547   1.8273   46.101   8.3365   45.900   11.831   46.300   11.749   19.274   2.6712   19.369   2.6374 -0.9562302E-01 3.753809 
1 1 1   27    3   14 o   35.503   2.3894  153.061   19.915  164.600   28.212  141.600   28.115   36.365   3.3221   33.557   3.6046 2.808102 4.902014 
1 1 1   27    3   15 o   46.778   2.9250  269.221   32.147  287.700   45.499  250.800   45.427   47.463   4.0999   44.022   4.4302 3.441166 6.036201 
1 1 1   27    3   16 o   40.699   2.6375  202.780   25.210  209.700   35.704  195.900   35.602   40.661   3.7612   39.192   3.8987 1.469379 5.417273 
1 1 1   27    3   17 o   7.9036   1.8071   7.7869   3.2991   7.3000   4.6056   8.3000   4.7282   7.7202   2.3308   8.1704   2.3344 -0.4502268 3.298734 
1 1 1   27    3   18 o   3.6297   1.4437   0.8206   1.8533   3.8000   2.8741  -1.3000   2.4247   5.7124   1.8587   3.2634   1.4748 2.449074 2.372666 
1 1 1   27    3   19 o   13.421   1.7512   21.976   5.4175   25.900   7.6368   18.000   7.6864   14.431   2.3196   11.867   2.7899 2.563613 3.628230 
1 1 1   27    3   20 o   5.1964   1.9168   2.6000   3.1034   0.0000   0.0000   2.6000   3.1034  ?   ?    5.1964   1.9168 0.000000 1.916790 
1 1 1   27    3   21 o   6.9174   2.1583   5.8000   3.9090   0.0000   0.0000   5.8000   3.9090  ?   ?    6.9174   2.1583 0.000000 2.158348 
1 1 1   27    3   22 o   21.438   2.8721   58.100   14.174   0.0000   0.0000   58.100   14.174  ?   ?    21.438   2.8721 0.000000 2.872080 
1 1 1   27    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    3   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4    0 o   32.568   3.3254  131.400   24.963  131.400   24.963  131.400   24.963   32.568   3.3254   32.568   3.3254 0.000000 0.000000 
1 1 1   27    4    1 o   33.582   2.3269  136.266   18.338  130.300   25.970  142.200   25.899   32.397   3.4476   33.938   3.2723 -1.540958 4.753335 
1 1 1   27    4    2 o   42.332   2.6925  217.733   26.775  208.000   37.832  227.500   37.899   40.695   3.9881   42.690   3.7993 -1.994473 5.508118 
1 1 1   27    4    3 o   23.673   1.9432   67.474   10.767   60.100   15.251   74.800   15.202   22.030   3.0105   24.738   2.6433 -2.708078 4.006292 
1 1 1   27    4    4 o   25.090   1.9579   75.772   11.508   64.000   16.256   87.600   16.295   22.707   3.1137   26.800   2.6079 -4.093491 4.061562 
1 1 1   27    4    5 f   31.355   2.1623  118.542   15.912  137.800   22.566   99.500   22.439   33.559   2.8754   28.261   3.4329 5.298185 4.478051 
1 1 1   27    4    6 o   33.574   2.3078  136.231   18.185  146.900   25.740  125.600   25.695   34.516   3.1944   31.767   3.4825 2.748516 4.725626 
1 1 1   27    4    7 o   31.086   2.2045  116.639   16.078  105.100   22.726  128.200   22.748   29.077   3.3725   32.300   3.0175 -3.223598 4.525359 
1 1 1   27    4    8 o   64.696   3.8080  521.735   57.917  579.200   81.989  464.500   81.826   66.628   5.2538   58.835   5.9725 7.793678 7.954452 
1 1 1   27    4    9 o   37.220   2.4678  167.942   21.567  165.100   30.458  170.800   30.543   36.382   3.5921   37.041   3.5349 -0.6581573 5.039725 
1 1 1   27    4   10 o   33.077   2.2917  132.339   17.789  130.800   25.073  133.900   25.243   32.466   3.3171   32.861   3.2976 -0.3952446 4.677306 
1 1 1   27    4   11 o   20.861   1.8056   52.397   8.8068   60.800   12.495   44.100   12.415   22.326   2.4082   18.834   2.8833 3.491745 3.756750 
1 1 1   27    4   12 o   15.811   1.8635   30.311   6.8239   22.500   9.8570   37.500   9.4564   13.290   3.1830   17.488   2.3494 -4.198288 3.956104 
1 1 1   27    4   13 f   17.911   1.7734   38.726   7.4021   36.400   10.414   41.100   10.523   17.127   2.6614   18.267   2.5055 -1.140238 3.655241 
1 1 1   27    4   14 o   10.287   1.7460   12.996   4.0898   14.400   5.6934   11.500   5.8786   10.723   2.3162   9.5683   2.5541 1.154939 3.447893 
1 1 1   27    4   15 o   14.968   1.7255   27.152   5.9870   21.700   8.4303   32.700   8.5040   13.090   2.8113   16.306   2.2702 -3.216356 3.613477 
1 1 1   27    4   16 o   30.399   2.1914  112.151   15.625  111.500   22.108  112.800   22.086   29.871   3.1834   30.058   3.1590 -0.1877594 4.484772 
1 1 1   27    4   17 o   16.722   1.7755   33.897   6.9035   36.600   9.6799   31.100   9.8484   17.190   2.4544   15.727   2.7522 1.462994 3.687591 
1 1 1   27    4   18 o   13.404   1.7064   21.874   5.2787   23.800   7.4188   19.900   7.5125   13.816   2.3587   12.537   2.6220 1.279399 3.526794 
1 1 1   27    4   19 o   5.7643   1.8639   3.8930   2.8928   3.5000   4.3681   4.2000   3.8608   6.0829   2.2680   6.1918   2.1545 -0.1089525 3.128261 
1 1 1   27    4   20 o   27.699   3.0710   96.600   19.748   0.0000   0.0000   96.600   19.748  ?   ?    27.699   3.0710 0.000000 3.070964 
1 1 1   27    4   21 o   9.8655   2.4876   12.400   5.7940   0.0000   0.0000   12.400   5.7940  ?   ?    9.8655   2.4876 0.000000 2.487626 
1 1 1   27    4   22 o   15.126   2.5738   28.900   8.8638   0.0000   0.0000   28.900   8.8638  ?   ?    15.126   2.5738 0.000000 2.573789 
1 1 1   27    4   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    4   37 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5    0 o   87.522   7.6764  1015.40  155.840  1015.40  155.840  1015.40  155.840   87.522   7.6764   87.522   7.6764 0.000000 0.000000 
1 1 1   27    5    1 o   7.1049   1.6942   6.2595   2.8024   9.3000   4.1027   3.6000   3.8371   8.6419   2.0427   5.9544   2.1409 2.687563 2.959101 
1 1 1   27    5    2 o   59.264   3.5691  434.654   49.715  430.500   70.343  438.800   70.271   57.494   5.2388   58.113   5.1750 -0.6190605 7.363819 
1 1 1   27    5    3 o   55.122   3.3030  373.813   42.795  326.700   60.466  421.100   60.577   50.071   5.1894   57.555   4.4928 -7.484150 6.863997 
1 1 1   27    5    4 f   26.508   2.0668   84.708   12.835   93.600   18.092   75.700   18.210   27.639   2.8112   24.693   3.1983 2.946331 4.258170 
1 1 1   27    5    5 o   37.846   2.5074  173.619   22.281  184.200   31.482  163.000   31.539   38.526   3.4987   36.091   3.7557 2.434673 5.132863 
1 1 1   27    5    6 o   50.962   3.1298  318.457   37.481  328.300   52.989  308.600   53.024   50.795   4.4630   49.108   4.6272 1.687786 6.428746 
1 1 1   27    5    7 o   63.368   3.7654  499.863   56.091  486.900   79.212  512.900   79.436   60.710   5.5882   62.492   5.4373 -1.782108 7.796888 
1 1 1   27    5    8 o   14.377   1.6799   24.982   5.5956   28.000   7.9375   22.000   7.8895   15.092   2.3000   13.269   2.6110 1.823355 3.479583 
1 1 1   27    5    9 o   21.611   1.8825   56.278   9.5107   62.100   13.418   50.400   13.482   22.522   2.5690   20.154   2.9178 2.368343 3.887624 
1 1 1   27    5   10 o   70.513   4.2297  628.671   70.103  637.900   99.026  619.400   99.255   68.533   6.1858   67.345   6.3152 1.187927 8.840010 
1 1 1   27    5   11 o   26.211   2.0031   82.822   12.304   79.500   17.327   86.200   17.475   25.376   2.9464   26.476   2.8394 -1.099724 4.091876 
1 1 1   27    5   12 o   20.346   1.8677   49.952   8.8731   46.000   12.632   53.800   12.466   19.237   2.8687   20.927   2.5772 -1.690226 3.856304 
1 1 1   27    5   13 o   28.812   2.1088  100.328   14.248   96.100   20.097  104.600   20.202   27.822   3.1124   29.095   2.9826 -1.273247 4.310817 
1 1 1   27    5   14 o   15.920   1.7509   30.676   6.4733   35.300   9.1290   26.000   9.1804   16.939   2.3452   14.367   2.8067 2.572482 3.657511 
1 1 1   27    5   15 o   23.394   1.9068   66.122   10.442   61.900   14.718   70.400   14.817   22.317   2.8586   23.892   2.6721 -1.575083 3.913008 
1 1 1   27    5   16 o   40.030   2.6177  196.196   24.607  216.500   34.803  175.900   34.796   41.421   3.5938   36.993   4.0496 4.428837 5.414272 
1 1 1   27    5   17 f   8.6570   1.6915   9.2770   3.3339   4.0000   4.5845   15.200   4.8570   6.3567   2.3320   11.091   1.9244 -4.733993 3.023506 
1 1 1   27    5   18 f   24.964   1.9032   75.435   11.135   90.600   15.861   60.700   15.635   27.140   2.5031   21.925   3.1068 5.215006 3.989720 
1 1 1   27    5   19 o   18.398   1.8323   41.100   7.8545   41.100   11.396   41.100   10.840   18.094   2.7541   18.150   2.6039 -0.5545235E-01 3.790187 
1 1 1   27    5   20 o   22.882   2.8102   65.600   14.865   0.0000   0.0000   65.600   14.865  ?   ?    22.882   2.8102 0.000000 2.810189 
1 1 1   27    5   21 o   24.118   2.8670   73.200   16.008   0.0000   0.0000   73.200   16.008  ?   ?    24.118   2.8670 0.000000 2.867000 
1 1 1   27    5   22 o   8.1580   2.4459   8.3000   5.0849   0.0000   0.0000   8.3000   5.0849  ?   ?    8.1580   2.4459 0.000000 2.445914 
1 1 1   27    5   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    5   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6    0 o  ?   ?   -4.9000   0.7610  -4.9000   0.7610  -4.9000   0.7610  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   27    6    1 o   61.544   3.4656  467.531   50.160  610.000   71.004  325.600   70.870   69.474   4.3501   48.976   6.2721 20.49792 7.632955 
1 1 1   27    6    2 o   44.465   2.7991  240.793   29.240  239.000   41.276  242.600   41.427   43.579   4.0577   43.920   4.0398 -0.3408470 5.725760 
1 1 1   27    6    3 o   26.994   2.0692   87.830   13.089   96.000   18.477   79.600   18.544   27.986   2.8351   25.341   3.1682 2.645071 4.251534 
1 1 1   27    6    4 o   28.169   2.0972   95.656   13.850   97.100   19.545   94.200   19.629   28.089   2.9928   27.637   3.0591 0.4518986 4.279609 
1 1 1   27    6    5 o   8.8370   1.7739   9.6487   3.5730   11.800   4.9456   7.3000   5.1676   9.7252   2.2045   7.8335   2.4868 1.891711 3.323213 
1 1 1   27    6    6 o   49.657   3.0076  301.604   35.100  282.700   49.514  320.700   49.765   47.069   4.5100   50.381   4.2219 -3.311932 6.177805 
1 1 1   27    6    7 o   8.5756   1.7538   9.0934   3.4316   8.8000   4.8004   9.4000   4.9076   8.4222   2.3333   8.6889   2.3398 -0.2666969 3.304379 
1 1 1   27    6    8 o   37.070   2.4934  166.694   21.699  184.100   30.648  149.200   30.726   38.536   3.4030   34.437   3.8442 4.098820 5.134045 
1 1 1   27    6    9 o   14.980   1.7209   27.131   5.9769   28.800   8.3768   25.400   8.5305   15.281   2.4007   14.273   2.6279 1.007935 3.559379 
1 1 1   27    6   10 o   33.433   2.2715  135.147   17.826  125.200   25.144  145.200   25.277   31.710   3.4117   34.295   3.1567 -2.584827 4.648013 
1 1 1   27    6   11 o   45.057   2.8628  248.234   30.301  256.700   42.766  239.700   42.939   45.055   4.0635   43.399   4.2443 1.656357 5.875857 
1 1 1   27    6   12 o   27.706   2.0606   92.678   13.385   87.500   18.890   97.900   18.969   26.564   3.0678   28.188   2.8908 -1.624279 4.215233 
1 1 1   27    6   13 o   36.921   2.4728  165.815   21.435  170.900   30.267  160.700   30.359   36.948   3.5114   35.740   3.6484 1.207775 5.063608 
1 1 1   27    6   14 o   18.055   1.8177   39.433   7.6440   48.600   10.762   30.100   10.859   19.921   2.3319   15.391   3.0951 4.529923 3.875252 
1 1 1   27    6   15 o   52.632   3.1863  343.782   39.414  400.700   55.797  287.100   55.682   55.786   4.2680   46.286   5.1834 9.499878 6.714462 
1 1 1   27    6   16 o   2.4641   1.0899  -0.4125   1.2504   0.0000   1.4514  -1.6000   2.4627   2.8721   1.2220   3.2089   1.4643 -0.3368690 1.907204 
1 1 1   27    6   17 o   45.409   2.8369  254.581   30.267  274.300   42.879  235.000   42.728   46.199   3.9690   42.424   4.3258 3.775700 5.870732 
1 1 1   27    6   18 o   23.775   1.9569   68.575   10.889   76.700   15.376   60.400   15.423   24.884   2.6578   21.880   3.0696 3.004946 4.060369 
1 1 1   27    6   19 o   22.815   1.8497   63.054   9.8796   75.700   14.648   52.500   13.381   24.749   2.5426   20.446   2.8490 4.302492 3.818606 
1 1 1   27    6   20 o   20.935   2.7203   54.900   13.130   0.0000   0.0000   54.900   13.130  ?   ?    20.935   2.7203 0.000000 2.720293 
1 1 1   27    6   21 o   19.333   2.6510   46.900   11.784   0.0000   0.0000   46.900   11.784  ?   ?    19.333   2.6510 0.000000 2.651041 
1 1 1   27    6   22 o   8.4191   2.4808   8.9000   5.2661   0.0000   0.0000   8.9000   5.2661  ?   ?    8.4191   2.4808 0.000000 2.480774 
1 1 1   27    6   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    6   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7    0 o   22.676   2.8352   64.300   14.540   64.300   14.540   64.300   14.540   22.676   2.8352   22.676   2.8352 0.000000 0.000000 
1 1 1   27    7    1 o   18.201   1.7430   39.886   7.3997   34.200   10.452   45.600   10.478   16.591   2.7652   19.332   2.3431 -2.740829 3.624403 
1 1 1   27    7    2 o   10.280   1.6826   12.922   3.9432   14.500   5.5386   11.300   5.6153   10.793   2.2463   9.5054   2.4768 1.287336 3.343674 
1 1 1   27    7    3 o   9.2814   1.5903   10.544   3.3600   6.6000   4.5896   15.100   4.9325   7.4411   2.3415   11.076   1.9576 -3.634706 3.051990 
1 1 1   27    7    4 o   24.786   1.9760   73.990   11.469   73.300   16.104   74.700   16.338   24.415   2.8468   24.645   2.8606 -0.2301044 4.035744 
1 1 1   27    7    5 o   11.608   1.6858   16.397   4.4860   19.600   6.4521   13.400   6.2416   12.589   2.2531   10.332   2.5692 2.257303 3.417181 
1 1 1   27    7    6 o   34.168   2.4063  141.397   19.291  174.700   27.242  107.900   27.321   37.704   3.0868   29.127   4.0845 8.576319 5.119734 
1 1 1   27    7    7 o   22.215   1.8985   59.458   9.8636   63.100   13.934   55.800   13.964   22.682   2.6516   21.249   2.8553 1.433744 3.896666 
1 1 1   27    7    8 o   25.047   1.9670   75.590   11.541   68.400   16.310   82.800   16.332   23.502   3.0079   26.000   2.6995 -2.498142 4.041650 
1 1 1   27    7    9 o   44.543   2.8623  242.421   29.948  281.400   42.314  203.300   42.391   47.405   3.8123   39.732   4.6036 7.673111 5.977141 
1 1 1   27    7   10 o   33.402   2.3226  135.065   18.205  138.100   25.684  132.000   25.809   33.365   3.3034   32.564   3.4069 0.8006516 4.745435 
1 1 1   27    7   11 o   16.620   1.7348   33.348   6.7077   32.600   9.4751   34.100   9.4973   16.225   2.5579   16.619   2.4974 -0.3941135 3.574845 
1 1 1   27    7   12 o   20.970   1.8456   53.043   9.0457   56.400   12.807   49.700   12.778   21.419   2.5843   20.027   2.7769 1.392254 3.793351 
1 1 1   27    7   13 o   45.643   2.8167  255.343   30.210  282.900   42.807  228.000   42.641   47.304   3.8661   42.068   4.3556 5.235806 5.823916 
1 1 1   27    7   14 o   9.1720   1.7975   10.417   3.7539   8.0000   5.3859   12.700   5.2350   8.1242   2.5333   10.063   2.2586 -1.938592 3.393891 
1 1 1   27    7   15 o   25.724   2.0386   80.148   12.282   89.800   17.327   70.400   17.412   26.967   2.7599   23.665   3.1978 3.301424 4.224078 
1 1 1   27    7   16 o   27.139   2.0487   89.277   13.033   85.400   18.378   93.200   18.484   26.143   3.0334   27.385   2.9027 -1.242002 4.198444 
1 1 1   27    7   17 o   15.965   1.7436   30.926   6.4662   33.200   9.0928   28.600   9.1973   16.352   2.4286   15.075   2.6820 1.277349 3.618154 
1 1 1   27    7   18 o   21.712   1.7976   57.024   9.1333   71.100   13.023   43.400   12.812   24.080   2.3190   18.497   3.0389 5.582981 3.822629 
1 1 1   27    7   19 o   18.216   2.6356   41.500   11.007   0.0000   0.0000   41.500   11.007  ?   ?    18.216   2.6356 0.000000 2.635591 
1 1 1   27    7   20 f   27.665   3.0853   96.800   19.812   0.0000   0.0000   96.800   19.812  ?   ?    27.665   3.0853 0.000000 3.085289 
1 1 1   27    7   21 o   17.544   2.6137   38.700   10.497   0.0000   0.0000   38.700   10.497  ?   ?    17.544   2.6137 0.000000 2.613698 
1 1 1   27    7   22 o   26.686   3.0487   90.500   18.867   0.0000   0.0000   90.500   18.867  ?   ?    26.686   3.0487 0.000000 3.048651 
1 1 1   27    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    7   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8    0 o  ?   ?   -6.6000   0.6892  -6.6000   0.6892  -6.6000   0.6892  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   27    8    1 o   15.241   1.7074   28.046   6.0393   30.600   8.5468   25.500   8.5349   15.778   2.3670   14.312   2.6221 1.466110 3.532395 
1 1 1   27    8    2 f   11.914   1.6668   17.245   4.5610   16.900   6.4022   17.600   6.4995   11.639   2.4089   11.884   2.3987 -0.2455997 3.399465 
1 1 1   27    8    3 o   29.340   2.1194  103.784   14.585  108.400   20.662   99.200   20.590   29.693   2.9874   28.338   3.1291 1.354685 4.326179 
1 1 1   27    8    4 o   14.838   1.6963   26.595   5.8366   25.400   8.2364   27.800   8.2720   14.304   2.5311   15.010   2.4158 -0.7060575 3.498962 
1 1 1   27    8    5 o   30.117   2.1615  109.450   15.270  108.000   21.594  110.900   21.594   29.567   3.1410   29.984   3.0944 -0.4173298 4.409220 
1 1 1   27    8    6 o   36.190   2.4174  158.647   20.540  156.000   29.031  161.300   29.066   35.394   3.5202   36.027   3.4591 -0.6327286 4.935270 
1 1 1   27    8    7 o   37.068   2.5216  166.800   21.941  193.400   30.971  140.000   31.087   39.526   3.3497   33.233   4.0448 6.293678 5.251766 
1 1 1   27    8    8 o   34.373   2.3407  142.997   18.886  141.000   26.690  145.000   26.727   33.681   3.4024   34.184   3.3543 -0.5021896 4.777812 
1 1 1   27    8    9 o   14.616   1.7062   25.836   5.7776   25.200   8.0861   26.500   8.2582   14.247   2.4944   14.622   2.4804 -0.3750381 3.517772 
1 1 1   27    8   10 o   30.734   2.2059  114.215   15.902  117.500   22.439  110.900   22.539   30.817   3.1269   29.879   3.2469 0.9388275 4.507732 
1 1 1   27    8   11 o   22.945   1.8972   63.490   10.187   72.700   14.415   54.300   14.399   24.372   2.5422   20.872   3.0084 3.499897 3.938649 
1 1 1   27    8   12 o   7.9181   1.7987   7.7977   3.2867   10.500   4.5321   4.8000   4.7734   9.1629   2.1343   6.7373   2.3915 2.425580 3.205407 
1 1 1   27    8   13 o   16.026   1.7584   31.100   6.5451   25.700   9.2562   36.500   9.2562   14.264   2.8478   17.227   2.3357 -2.962475 3.683110 
1 1 1   27    8   14 o   41.866   2.7054  214.855   26.603  216.500   37.564  213.200   37.680   41.224   3.9054   40.870   3.9537 0.3540573 5.557339 
1 1 1   27    8   15 o   15.154   1.7199   27.843   6.0455   23.400   8.5431   32.300   8.5560   13.603   2.7541   16.182   2.3043 -2.578830 3.590960 
1 1 1   27    8   16 o   6.9353   1.7944   5.9887   2.9609   7.8000   4.2006   4.2000   4.1743   7.9071   2.1796   6.2967   2.2363 1.610342 3.122753 
1 1 1   27    8   17 o   40.227   2.6280  198.975   24.826  204.900   35.185  193.100   35.035   40.005   3.7690   38.738   3.8822 1.266933 5.410798 
1 1 1   27    8   18 o   24.860   1.9914   75.051   11.592   74.900   16.456   75.200   16.331   24.461   2.9059   24.525   2.8745 -0.6438637E-01 4.087396 
1 1 1   27    8   19 f   16.537   2.5840   34.300   9.7599   0.0000   0.0000   34.300   9.7599  ?   ?    16.537   2.5840 0.000000 2.583958 
1 1 1   27    8   20 o   9.8727   2.4176   12.400   5.5912   0.0000   0.0000   12.400   5.5912  ?   ?    9.8727   2.4176 0.000000 2.417612 
1 1 1   27    8   21 o   39.943   3.9515  209.800   36.782   0.0000   0.0000  209.800   36.782  ?   ?    39.943   3.9515 0.000000 3.951545 
1 1 1   27    8   22 o   17.018   2.7012   36.700   10.492   0.0000   0.0000   36.700   10.492  ?   ?    17.018   2.7012 0.000000 2.701195 
1 1 1   27    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    8   36 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9    0 o   15.173   2.7396   30.000   8.8655   30.000   8.8655   30.000   8.8655   15.173   2.7396   15.173   2.7396 0.000000 0.000000 
1 1 1   27    9    1 o   18.171   1.8083   39.819   7.6559   46.200   10.769   33.300   10.886   19.443   2.3964   16.314   2.9336 3.128363 3.787948 
1 1 1   27    9    2 o   42.369   2.7038  218.396   26.910  204.800   38.050  232.000   38.062   40.294   4.0540   43.083   3.7796 -2.788258 5.542594 
1 1 1   27    9    3 o   24.626   1.9586   73.043   11.295   69.500   15.958   76.600   15.990   23.737   2.9077   24.987   2.7558 -1.250286 4.006196 
1 1 1   27    9    4 o   12.642   1.6993   19.400   4.9442   24.800   6.9604   13.900   7.0245   14.224   2.1385   10.514   2.7851 3.710074 3.511377 
1 1 1   27    9    5 o   30.280   2.1784  110.705   15.472  114.100   21.863  107.300   21.898   30.412   3.0872   29.436   3.2021 0.9760628 4.447977 
1 1 1   27    9    6 o   30.202   2.1392  110.061   15.158  128.200   21.459   92.000   21.413   32.355   2.8374   27.144   3.4165 5.211752 4.441099 
1 1 1   27    9    7 o   15.118   1.7270   27.628   6.0543   23.700   8.5932   31.500   8.5312   13.748   2.7432   16.016   2.3236 -2.268295 3.595026 
1 1 1   27    9    8 o   52.766   3.2526  343.137   40.330  357.200   56.961  329.000   57.110   52.742   4.6202   50.393   4.8596 2.349003 6.705336 
1 1 1   27    9    9 o   21.220   1.9277   54.368   9.5539   71.000   13.464   37.500   13.559   24.141   2.3934   17.145   3.4683 6.996504 4.213948 
1 1 1   27    9   10 o   38.521   2.5363  180.499   22.942  180.200   32.366  180.800   32.523   37.898   3.6624   37.953   3.6750 -0.5583572E-01 5.188283 
1 1 1   27    9   11 o   19.807   1.8073   47.334   8.3600   45.000   11.784   49.700   11.862   19.062   2.6930   20.092   2.5582 -1.030418 3.714369 
1 1 1   27    9   12 o   20.782   1.8530   52.162   8.9984   56.300   12.707   48.000   12.745   21.387   2.5674   19.637   2.8302 1.749142 3.821181 
1 1 1   27    9   13 o   25.369   2.0134   77.870   11.962   87.500   16.899   68.200   16.935   26.644   2.7243   23.320   3.1564 3.324156 4.169538 
1 1 1   27    9   14 o   12.310   1.7379   18.492   4.9114   13.000   7.0059   23.800   6.8872   10.145   2.8218   13.887   2.1713 -3.741976 3.560504 
1 1 1   27    9   15 o   27.164   2.0801   89.514   13.241   92.900   18.687   86.100   18.765   27.320   2.9431   26.224   3.0896 1.096846 4.266997 
1 1 1   27    9   16 o   24.779   1.9848   74.455   11.516   75.100   16.219   73.800   16.354   24.551   2.8506   24.311   2.9065 0.2404709 4.071028 
1 1 1   27    9   17 o   7.4903   1.7756   7.0045   3.0927   8.5000   4.5311   5.7000   4.2318   8.2372   2.2609   6.9456   2.2551 1.291641 3.193301 
1 1 1   27    9   18 o   11.563   1.8025   16.444   4.7613   24.500   7.6733   11.400   6.0715   13.991   2.4095   9.4876   2.6225 4.503901 3.561325 
1 1 1   27    9   19 o   19.101   2.6444   45.700   11.607   0.0000   0.0000   45.700   11.607  ?   ?    19.101   2.6444 0.000000 2.644398 
1 1 1   27    9   20 o   28.440   3.1226  102.600   20.626   0.0000   0.0000  102.600   20.626  ?   ?    28.440   3.1226 0.000000 3.122625 
1 1 1   27    9   21 f   21.392   2.8126   57.800   13.863   0.0000   0.0000   57.800   13.863  ?   ?    21.392   2.8126 0.000000 2.812562 
1 1 1   27    9   22 o   15.044   2.6053   28.700   8.9198   0.0000   0.0000   28.700   8.9198  ?   ?    15.044   2.6053 0.000000 2.605316 
1 1 1   27    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27    9   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10    0 o   8.2983   2.8727   10.700   5.0762   10.700   5.0762   10.700   5.0762   8.2983   2.8727   8.2983   2.8727 0.000000 0.000000 
1 1 1   27   10    1 o   39.819   2.5779  192.545   24.109  175.500   34.090  209.600   34.100   37.334   3.9257   41.053   3.5526 -3.719433 5.294539 
1 1 1   27   10    2 o   19.305   1.7977   44.900   8.1010   43.500   11.457   46.300   11.457   18.780   2.6577   19.413   2.5618 -0.6330833 3.691332 
1 1 1   27   10    3 o   32.630   2.2435  128.622   17.181  122.000   24.246  135.300   24.349   31.354   3.3256   33.114   3.1520 -1.759626 4.581998 
1 1 1   27   10    4 o   26.304   2.0142   83.388   12.416   90.200   17.574   76.600   17.544   27.122   2.7835   24.878   3.0503 2.243769 4.129415 
1 1 1   27   10    5 o   39.990   2.5298  194.046   23.766  219.100   33.680  169.200   33.540   42.046   3.4219   36.634   3.9391 5.411900 5.217842 
1 1 1   27   10    6 o   33.767   2.2380  137.733   17.744  164.700   25.148  111.000   25.039   36.654   2.9300   29.739   3.6416 6.915110 4.673975 
1 1 1   27   10    7 o   46.935   2.9115  269.477   32.109  285.800   45.440  253.200   45.377   47.558   4.0860   44.538   4.3710 3.019798 5.983356 
1 1 1   27   10    8 o   16.233   1.6869   31.788   6.3716   37.800   9.1384   26.100   8.8885   17.582   2.2528   14.443   2.7055 3.138979 3.520689 
1 1 1   27   10    9 o   29.181   2.1113  102.870   14.450  113.900   20.464   91.900   20.408   30.426   2.8826   27.154   3.2472 3.272091 4.342113 
1 1 1   27   10   10 o   32.228   2.2625  125.852   17.108  126.300   24.132  125.400   24.258   31.858   3.2535   31.728   3.2854 0.1305904 4.623788 
1 1 1   27   10   11 o   43.857   2.8034  235.818   28.881  246.800   40.810  224.800   40.878   44.077   3.9633   41.883   4.1894 2.194000 5.767091 
1 1 1   27   10   12 o   7.5162   1.7306   7.0269   3.0081   14.800   4.3034  -0.4000   4.2065   10.997   1.7130   4.7470   2.0509 6.249995 2.672199 
1 1 1   27   10   13 f   42.001   2.6005  215.693   25.665  188.800   36.158  243.000   36.435   38.360   4.0531   43.963   3.5397 -5.603188 5.381193 
1 1 1   27   10   14 o   37.107   2.4356  168.021   21.223  204.100   30.046  132.100   29.980   40.471   3.1693   31.969   4.0632 8.502188 5.153113 
1 1 1   27   10   15 o   16.271   1.7319   32.089   6.5517   40.500   9.2713   23.700   9.2596   18.167   2.2065   13.616   2.9640 4.551136 3.695141 
1 1 1   27   10   16 o   23.428   1.9443   66.565   10.659   79.300   15.066   53.800   15.084   25.356   2.5508   20.574   3.2096 4.782616 4.099760 
1 1 1   27   10   17 o   6.9134   1.8341   5.9543   3.0435   10.200   4.4749   2.3000   4.1515   9.0036   2.1368   5.5516   2.1756 3.452019 3.049448 
1 1 1   27   10   18 o   13.180   2.4777   21.900   7.4281   0.0000   0.0000   21.900   7.4281  ?   ?    13.180   2.4777 0.000000 2.477746 
1 1 1   27   10   19 o   36.894   3.7040  176.200   31.834   0.0000   0.0000  176.200   31.834  ?   ?    36.894   3.7040 0.000000 3.704028 
1 1 1   27   10   20 o   19.369   2.6894   47.200   11.969   0.0000   0.0000   47.200   11.969  ?   ?    19.369   2.6894 0.000000 2.689441 
1 1 1   27   10   21 o   24.731   2.9499   77.500   16.888   0.0000   0.0000   77.500   16.888  ?   ?    24.731   2.9499 0.000000 2.949931 
1 1 1   27   10   22 o   28.955   3.1992  107.300   21.509   0.0000   0.0000  107.300   21.509  ?   ?    28.955   3.1992 0.000000 3.199242 
1 1 1   27   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   10   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11    0 o   36.511   3.5646  165.400   30.060  165.400   30.060  165.400   30.060   36.511   3.5646   36.511   3.5646 0.000000 0.000000 
1 1 1   27   11    1 o   23.933   1.9367   69.001   10.851   67.300   15.350   70.700   15.342   23.371   2.8398   23.989   2.7586 -0.6180954 3.959094 
1 1 1   27   11    2 o   5.9518   1.7520   4.2988   2.6278  -1.4000   3.7853   9.6000   3.6509   4.2308   1.8825   8.8058   1.8161 -4.574979 2.615723 
1 1 1   27   11    3 o   4.5420   1.5691   2.2226   2.0459   4.7000   2.9096  -0.2000   2.8772   6.2258   1.8465   3.9677   1.7051 2.258163 2.513370 
1 1 1   27   11    4 o   31.976   2.1670  123.388   16.265   97.700   22.953  149.300   23.053   27.913   3.5636   34.937   2.8183 -7.024221 4.543369 
1 1 1   27   11    5 o   30.064   2.1572  109.137   15.212  105.200   21.479  113.100   21.548   29.143   3.1724   30.278   3.0556 -1.134911 4.404655 
1 1 1   27   11    6 o   37.222   2.4626  168.137   21.523  159.200   30.417  177.100   30.460   35.638   3.6668   37.722   3.4580 -2.084370 5.040153 
1 1 1   27   11    7 o   23.192   1.9156   64.855   10.397   69.200   14.695   60.500   14.711   23.738   2.6679   22.103   2.8876 1.634468 3.931400 
1 1 1   27   11    8 o   15.727   1.6870   29.868   6.1668   37.200   8.7708   22.700   8.6725   17.455   2.1752   13.412   2.8275 4.042873 3.567330 
1 1 1   27   11    9 o   26.017   1.9959   81.718   12.168  105.100   17.220   58.400   17.197   29.347   2.5090   21.448   3.5174 7.899448 4.320601 
1 1 1   27   11   10 o   11.386   1.6692   15.811   4.3547   16.600   6.1178   15.000   6.2001   11.524   2.3282   10.919   2.4633 0.6052866 3.389457 
1 1 1   27   11   11 f   30.382   2.2331  112.026   15.908  121.100   22.405  102.800   22.591   31.224   3.0788   28.585   3.4145 2.639595 4.597577 
1 1 1   27   11   12 o   39.220   2.5230  187.752   23.242  160.700   32.811  215.000   32.929   35.415   3.9931   41.448   3.3942 -6.032867 5.240791 
1 1 1   27   11   13 o   35.274   2.3904  151.674   19.793  145.700   27.930  157.700   28.052   33.948   3.5361   35.419   3.3957 -1.470505 4.902532 
1 1 1   27   11   14 o   22.659   1.9129   62.185   10.140   59.200   14.304   65.200   14.375   21.777   2.8501   22.927   2.7075 -1.149990 3.931081 
1 1 1   27   11   15 o   20.065   1.8664   48.815   8.7416   57.400   12.317   40.100   12.409   21.575   2.4616   17.769   3.0683 3.806042 3.933732 
1 1 1   27   11   16 o   7.1193   1.6735   6.3168   2.7658   13.100   4.2179   1.2000   3.6634   10.299   1.8000   4.9229   2.0044 5.375774 2.693931 
1 1 1   27   11   17 o   27.546   2.0731   92.358   13.386   99.200   19.135   85.800   18.733   28.152   2.9208   26.069   3.1042 2.083555 4.262341 
1 1 1   27   11   18 f   30.893   3.2812  121.400   23.570   0.0000   0.0000  121.400   23.570  ?   ?    30.893   3.2812 0.000000 3.281207 
1 1 1   27   11   19 o   24.152   2.8903   73.500   16.156   0.0000   0.0000   73.500   16.156  ?   ?    24.152   2.8903 0.000000 2.890264 
1 1 1   27   11   20 o   12.416   2.5088   19.600   7.1024   0.0000   0.0000   19.600   7.1024  ?   ?    12.416   2.5088 0.000000 2.508840 
1 1 1   27   11   21 o   24.275   2.9386   74.700   16.502   0.0000   0.0000   74.700   16.502  ?   ?    24.275   2.9386 0.000000 2.938649 
1 1 1   27   11   22 f   2.9211   1.3443  -1.6000   2.1360   0.0000   0.0000  -1.6000   2.1360  ?   ?    2.9211   1.3443 0.000000 1.344335 
1 1 1   27   11   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   11   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12    0 o   51.788   4.6341  336.700   55.627  336.700   55.627  336.700   55.627   51.788   4.6341   51.788   4.6341 0.000000 0.000000 
1 1 1   27   12    1 o   13.480   1.6547   21.993   5.1565   24.700   7.3717   19.400   7.2157   14.155   2.2831   12.452   2.5401 1.703208 3.415309 
1 1 1   27   12    2 o   22.398   1.8861   60.450   9.8829   51.900   13.977   69.000   13.977   20.427   2.9857   23.760   2.5301 -3.332743 3.913537 
1 1 1   27   12    3 o   14.146   1.7042   24.224   5.5781   21.400   7.8532   27.100   7.9244   13.068   2.6359   14.824   2.3415 -1.756235 3.525712 
1 1 1   27   12    4 o   17.508   1.7614   36.987   7.1831   42.500   10.170   31.500   10.147   18.630   2.3651   15.874   2.8097 2.755930 3.672658 
1 1 1   27   12    5 o   50.360   3.1107  312.050   36.810  311.900   52.009  312.200   52.106   49.268   4.5209   49.286   4.5278 -0.1782990E-01 6.398400 
1 1 1   27   12    6 o   8.5061   1.7370   8.9545   3.3710  10.0000   4.7571   7.9000   4.7777   8.9398   2.2540   8.0193   2.3629 0.9205437 3.265567 
1 1 1   27   12    7 o   25.370   1.9856   77.690   11.800   82.800   16.704   72.600   16.672   25.936   2.7702   24.190   2.9818 1.745935 4.070010 
1 1 1   27   12    8 o   21.173   1.8526   54.102   9.1694   54.700   12.941   53.500   12.994   21.054   2.6626   20.803   2.7095 0.2511940 3.798755 
1 1 1   27   12    9 o   34.024   2.3295  140.587   18.603  132.300   26.289  148.900   26.329   32.451   3.4853   34.569   3.2640 -2.117718 4.775060 
1 1 1   27   12   10 o   9.4094   1.7374   10.922   3.7181   9.9000   5.3168   11.900   5.2015   8.8954   2.4522   9.7329   2.2997 -0.8374643 3.361810 
1 1 1   27   12   11 o   25.360   1.9996   77.811   11.877   74.800   16.828   80.800   16.767   24.512   2.9678   25.547   2.8268 -1.034719 4.098589 
1 1 1   27   12   12 o   21.297   1.8557   54.850   9.2390   55.200   13.074   54.500   13.057   21.101   2.6848   20.958   2.7012 0.1423149 3.808529 
1 1 1   27   12   13 o   12.851   1.7292   20.138   5.1143   23.600   7.1942   16.600   7.2719   13.784   2.2907   11.421   2.7329 2.363011 3.565974 
1 1 1   27   12   14 o   8.1632   1.7294   8.2860   3.2299   6.6000   4.4297   10.200   4.7196   7.3819   2.2967   9.0024   2.2314 -1.620587 3.202164 
1 1 1   27   12   15 o   11.482   1.7578   16.175   4.6143   14.000   6.5632   18.300   6.4886   10.490   2.6490   12.073   2.3605 -1.583732 3.548169 
1 1 1   27   12   16 o   37.205   2.4366  169.708   21.288  189.900   30.251  149.900   29.963   38.754   3.3383   34.083   3.7869 4.670685 5.048294 
1 1 1   27   12   17 o  ?   ?   -6.2343   0.5782  -1.8000   1.0625  -8.1000   0.6892   1.7268   0.8374  ?   ?  0.000000 0.8373898 
1 1 1   27   12   18 o   14.827   2.5392   27.700   8.5707   0.0000   0.0000   27.700   8.5707  ?   ?    14.827   2.5392 0.000000 2.539214 
1 1 1   27   12   19 o   13.864   2.5083   24.300   7.9097   0.0000   0.0000   24.300   7.9097  ?   ?    13.864   2.5083 0.000000 2.508348 
1 1 1   27   12   20 o   9.8791   2.5984   12.500   6.1426   0.0000   0.0000   12.500   6.1426  ?   ?    9.8791   2.5984 0.000000 2.598357 
1 1 1   27   12   21 o   25.601   3.0109   83.300   17.854   0.0000   0.0000   83.300   17.854  ?   ?    25.601   3.0109 0.000000 3.010861 
1 1 1   27   12   22 o   29.131   3.2585  109.000   22.031   0.0000   0.0000  109.000   22.031  ?   ?    29.131   3.2585 0.000000 3.258503 
1 1 1   27   12   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   12   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13    0 o   35.887   3.5416  160.100   29.341  160.100   29.341  160.100   29.341   35.887   3.5416   35.887   3.5416 0.000000 0.000000 
1 1 1   27   13    1 o   27.235   2.0800   89.584   13.276  102.100   18.750   77.000   18.800   28.839   2.7880   24.818   3.2890 4.021084 4.311656 
1 1 1   27   13    2 o   34.176   2.3400  141.551   18.770  146.800   26.542  136.300   26.548   34.373   3.3110   33.039   3.4540 1.334000 4.784611 
1 1 1   27   13    3 o   28.220   2.0763   96.163   13.739  104.800   19.471   87.600   19.388   29.185   2.8622   26.544   3.1550 2.641592 4.259841 
1 1 1   27   13    4 f   42.243   2.6944  217.791   26.737  239.200   37.819  196.400   37.804   43.663   3.7030   39.250   4.1414 4.412811 5.555437 
1 1 1   27   13    5 o   31.432   2.1983  119.554   16.214  131.200   22.976  108.000   22.884   32.595   3.0194   29.395   3.3570 3.199615 4.515074 
1 1 1   27   13    6 o   13.151   1.6729   20.985   5.0775   26.400   7.2249   15.700   7.1371   14.663   2.1506   11.139   2.7337 3.523150 3.478246 
1 1 1   27   13    7 o   35.692   2.3852  154.809   19.987  179.900   28.289  129.800   28.243   38.083   3.1747   31.964   3.8174 6.119194 4.965010 
1 1 1   27   13    8 o   28.251   2.0990   96.597   13.902   92.600   19.653  100.600   19.668   27.265   3.1082   28.494   2.9666 -1.229757 4.296668 
1 1 1   27   13    9 o   46.049   2.8825  260.826   31.186  273.600   44.145  248.100   44.061   46.258   4.0834   43.847   4.3113 2.411015 5.938133 
1 1 1   27   13   10 f   27.758   2.1036   93.379   13.686   85.300   19.390  101.400   19.320   26.079   3.2167   28.612   2.8996 -2.532469 4.330747 
1 1 1   27   13   11 o   22.168   1.8887   59.445   9.7922   66.400   13.853   52.500   13.844   23.211   2.5706   20.470   2.9491 2.741220 3.912151 
1 1 1   27   13   12 o   22.226   1.8919   59.803   9.8350   58.100   13.922   61.500   13.896   21.595   2.7957   22.266   2.6980 -0.6700974 3.885245 
1 1 1   27   13   13 o   17.132   1.7286   35.542   6.8974   40.600   9.8120   30.600   9.6979   18.144   2.3450   15.590   2.7339 2.553969 3.601842 
1 1 1   27   13   14 o   6.0025   1.6486   4.4525   2.4083   9.6000   3.5362   0.0000   3.2888   8.7921   1.7646   4.2992   1.8346 4.492965 2.545507 
1 1 1   27   13   15 o   2.7181   1.2155  -0.6917   1.5997  -3.7000   2.7785   0.8000   1.9565   2.9680   1.4170   3.6935   1.4786 -0.7254980 2.047985 
1 1 1   27   13   16 o   9.7970   1.7221   11.860   3.8384   22.600   6.5339   6.2000   4.7432   13.501   2.1192   7.2518   2.3891 6.249495 3.193602 
1 1 1   27   13   17 o   32.493   3.4049  135.000   25.737   0.0000   0.0000  135.000   25.737  ?   ?    32.493   3.4049 0.000000 3.404880 
1 1 1   27   13   18 o   6.9351   2.2668   5.7000   4.2729   0.0000   0.0000   5.7000   4.2729  ?   ?    6.9351   2.2668 0.000000 2.266773 
1 1 1   27   13   19 o   17.619   2.6249   39.100   10.588   0.0000   0.0000   39.100   10.588  ?   ?    17.619   2.6249 0.000000 2.624947 
1 1 1   27   13   20 o   29.893   3.2674  114.500   22.689   0.0000   0.0000  114.500   22.689  ?   ?    29.893   3.2674 0.000000 3.267430 
1 1 1   27   13   21 o   18.032   2.7309   41.200   11.264   0.0000   0.0000   41.200   11.264  ?   ?    18.032   2.7309 0.000000 2.730924 
1 1 1   27   13   22 o   16.580   2.7116   35.000   10.249   0.0000   0.0000   35.000   10.249  ?   ?    16.580   2.7116 0.000000 2.711626 
1 1 1   27   13   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   13   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14    0 o   26.314   3.0195   86.400   18.122   86.400   18.122   86.400   18.122   26.314   3.0195   26.314   3.0195 0.000000 0.000000 
1 1 1   27   14    1 o   33.775   2.3775  138.528   18.841  121.500   26.706  155.400   26.584   31.002   3.7224   35.388   3.2164 -4.385099 4.919517 
1 1 1   27   14    2 o   15.690   1.7442   29.790   6.3529   35.700   8.9544   23.800   9.0146   17.061   2.2797   13.721   2.8743 3.339651 3.668632 
1 1 1   27   14    3 o   28.481   2.1057   98.094   14.061  113.000   19.889   83.200   19.882   30.310   2.8109   25.749   3.3492 4.560886 4.372404 
1 1 1   27   14    4 o   24.808   1.9583   74.313   11.378   82.000   16.131   66.700   16.053   25.825   2.6844   23.146   3.0082 2.679298 4.031771 
1 1 1   27   14    5 o   35.052   2.2474  148.874   18.504  122.200   26.059  176.000   26.279   31.112   3.6144   37.775   2.9700 -6.663065 4.678109 
1 1 1   27   14    6 o   50.699   3.1561  318.125   37.597  328.500   53.107  307.700   53.234   50.341   4.5156   48.530   4.7043 1.810440 6.520801 
1 1 1   27   14    7 o   33.783   2.2773  138.518   18.061  162.600   25.586  114.600   25.498   36.256   3.0159   30.065   3.6675 6.190258 4.748298 
1 1 1   27   14    8 o   6.9444   1.7992   5.9945   2.9742   2.0000   4.2581   9.8000   4.1562   5.5103   2.1894   8.8544   2.0310 -3.344052 2.986344 
1 1 1   27   14    9 o   10.758   1.7282   14.193   4.2414   6.6000   6.0155   21.700   5.9811   7.7156   2.6891   13.299   1.9637 -5.583397 3.329746 
1 1 1   27   14   10 o   26.718   2.0385   86.498   12.764   80.100   18.047   92.900   18.054   25.292   3.0858   27.378   2.8336 -2.086155 4.189422 
1 1 1   27   14   11 o   13.757   1.6820   22.992   5.3501   17.900   7.5601   28.100   7.5725   11.859   2.7527   15.097   2.1878 -3.238357 3.516247 
1 1 1   27   14   12 o   10.108   1.7361   12.585   3.9944   9.6000   5.5067   15.900   5.8027   8.7635   2.5239   11.265   2.2600 -2.501390 3.387893 
1 1 1   27   14   13 o   42.436   2.7317  222.088   27.228  208.200   38.489  236.000   38.524   40.013   4.1332   42.878   3.8457 -2.865326 5.645566 
1 1 1   27   14   14 o   18.151   1.8443   40.039   7.7949   35.900   11.147   44.000   10.904   16.826   2.9109   18.817   2.5171 -1.991756 3.848250 
1 1 1   27   14   15 o   18.593   1.7643   41.940   7.6534   48.900   10.953   35.300   10.698   19.884   2.3802   16.696   2.8135 3.187521 3.685259 
1 1 1   27   14   16 o   11.636   2.4997   17.200   6.6635   0.0000   0.0000   17.200   6.6635  ?   ?    11.636   2.4997 0.000000 2.499686 
1 1 1   27   14   17 o   24.086   2.8873   73.100   16.094   0.0000   0.0000   73.100   16.094  ?   ?    24.086   2.8873 0.000000 2.887327 
1 1 1   27   14   18 o   10.287   2.4534   13.500   5.8761   0.0000   0.0000   13.500   5.8761  ?   ?    10.287   2.4534 0.000000 2.453403 
1 1 1   27   14   19 o   13.108   2.5082   21.800   7.4808   0.0000   0.0000   21.800   7.4808  ?   ?    13.108   2.5082 0.000000 2.508241 
1 1 1   27   14   20 o   15.656   2.6571   31.100   9.4719   0.0000   0.0000   31.100   9.4719  ?   ?    15.656   2.6571 0.000000 2.657133 
1 1 1   27   14   21 o   3.8817   1.7635  -2.0000   3.5225   0.0000   0.0000  -2.0000   3.5225  ?   ?    3.8817   1.7635 0.000000 1.763501 
1 1 1   27   14   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   14   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15    0 o   5.1110   2.5485   4.6000   3.7400   4.6000   3.7400   4.6000   3.7400   5.1110   2.5485   5.1110   2.5485 0.000000 0.000000 
1 1 1   27   15    1 o   10.055   1.6788   12.400   3.8454   9.2000   5.3573   15.800   5.5227   8.6115   2.4921   11.274   2.1530 -2.662680 3.293355 
1 1 1   27   15    2 o   13.189   1.7571   21.170   5.3361   13.200   7.6049   28.900   7.4891   10.252   2.9699   15.355   2.1221 -5.103178 3.650179 
1 1 1   27   15    3 o   7.8295   1.6904   7.6066   3.0338   12.400   4.3836   3.2000   4.2030   10.003   1.9256   5.9216   2.2214 4.081780 2.939876 
1 1 1   27   15    4 o   19.377   1.8122   45.362   8.1955   46.300   11.517   44.400   11.665   19.357   2.5841   18.916   2.6871 0.4412365 3.728003 
1 1 1   27   15    5 o   38.445   2.5327  180.342   22.864  184.700   32.362  176.000   32.306   38.275   3.6238   37.295   3.7180 0.9804688 5.191836 
1 1 1   27   15    6 o   57.500   3.5390  414.536   47.818  397.500   67.697  431.500   67.554   54.340   5.3449   56.967   5.0750 -2.626740 7.370486 
1 1 1   27   15    7 o   53.862   3.2654  361.185   41.336  393.500   58.517  329.000   58.399   54.926   4.5528   49.669   5.0494 5.257229 6.798810 
1 1 1   27   15    8 o   29.227   2.1396  103.644   14.664  105.300   20.778  102.000   20.697   29.054   3.0753   28.570   3.1186 0.4843559 4.379864 
1 1 1   27   15    9 o   2.0909   0.9372  -0.4450   0.9569   2.6000   1.1797  -6.3000   1.6359   4.5874   1.1027  ?   ?  0.000000 1.102695 
1 1 1   27   15   10 o   42.886   2.7211  226.296   27.414  266.300   38.795  186.400   38.743   45.849   3.6126   37.672   4.4406 8.177624 5.724509 
1 1 1   27   15   11 o   17.041   1.7400   35.183   6.9035   33.000   9.7253   37.400   9.8014   16.240   2.6257   17.366   2.4588 -1.126654 3.597213 
1 1 1   27   15   12 o   23.525   1.9280   67.095   10.616   64.600   14.998   69.600   15.030   22.732   2.8571   23.657   2.7413 -0.9246254 3.959487 
1 1 1   27   15   13 o   20.339   1.8281   50.165   8.6862   53.400   12.454   47.100   12.121   20.720   2.6028   19.397   2.7212 1.323872 3.765601 
1 1 1   27   15   14 o   33.362   2.3127  136.272   18.106  121.800   25.582  150.800   25.631   30.777   3.5873   34.574   3.1750 -3.796942 4.790547 
1 1 1   27   15   15 o   9.0617   2.3409   10.400   5.0446   0.0000   0.0000   10.400   5.0446  ?   ?    9.0617   2.3409 0.000000 2.340931 
1 1 1   27   15   16 o   7.0102   2.1561   6.0000   3.9167   0.0000   0.0000   6.0000   3.9167  ?   ?    7.0102   2.1561 0.000000 2.156091 
1 1 1   27   15   17 f   26.032   2.9792   85.700   17.984   0.0000   0.0000   85.700   17.984  ?   ?    26.032   2.9792 0.000000 2.979185 
1 1 1   27   15   18 f   2.3868   1.1181  -1.6000   1.5821   0.0000   0.0000  -1.6000   1.5821  ?   ?    2.3868   1.1181 0.000000 1.118107 
1 1 1   27   15   19 o   8.3855   2.6266   8.7000   5.7829   0.0000   0.0000   8.7000   5.7829  ?   ?    8.3855   2.6266 0.000000 2.626638 
1 1 1   27   15   20 o   27.779   3.2068   98.900   20.649   0.0000   0.0000   98.900   20.649  ?   ?    27.779   3.2068 0.000000 3.206839 
1 1 1   27   15   21 o   10.526   2.6498   14.300   6.5817   0.0000   0.0000   14.300   6.5817  ?   ?    10.526   2.6498 0.000000 2.649799 
1 1 1   27   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   15   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16    0 o   20.292   2.7933   52.100   12.663   52.100   12.663   52.100   12.663   20.292   2.7933   20.292   2.7933 0.000000 0.000000 
1 1 1   27   16    1 o   22.765   1.8984   62.622   10.112   68.000   14.338   57.300   14.263   23.491   2.6299   21.447   2.8899 2.044392 3.907444 
1 1 1   27   16    2 o   22.504   1.8894   61.199   9.9476   60.900   14.053   61.500   14.084   22.174   2.7423   22.287   2.7333 -0.1134777 3.871822 
1 1 1   27   16    3 o   26.401   2.0098   84.326   12.436   75.900   17.562   92.800   17.612   24.640   3.0861   27.423   2.7570 -2.783533 4.138214 
1 1 1   27   16    4 o   28.530   2.0889   98.602   13.975  112.300   19.798   85.000   19.729   30.159   2.8125   25.994   3.2877 4.164772 4.326575 
1 1 1   27   16    5 o   17.884   1.7935   38.717   7.4719   37.100   10.622   40.300   10.512   17.240   2.6977   18.035   2.5387 -0.7952404 3.704458 
1 1 1   27   16    6 o   13.913   1.6937   23.507   5.4497   29.400   7.7355   17.700   7.6788   15.457   2.1798   11.791   2.7997 3.666696 3.548229 
1 1 1   27   16    7 o   16.368   1.7449   32.466   6.6404   35.700   9.3682   29.200   9.4138   16.990   2.4021   15.240   2.7155 1.750199 3.625442 
1 1 1   27   16    8 o   40.994   2.6677  206.455   25.683  223.800   36.316  189.100   36.327   41.951   3.7040   38.249   4.0853 3.702339 5.514428 
1 1 1   27   16    9 o   26.269   2.0303   83.700   12.497   83.700   17.669   83.700   17.677   25.900   2.9411   25.900   2.9425 0.6427765E-03 4.160347 
1 1 1   27   16   10 o   22.021   1.8781   58.738   9.6726   56.100   13.648   61.400   13.710   21.198   2.7948   22.244   2.6631 -1.046007 3.860478 
1 1 1   27   16   11 o   23.285   1.9208   65.746   10.467   67.400   14.819   64.100   14.787   23.267   2.7504   22.651   2.8261 0.6158066 3.943526 
1 1 1   27   16   12 o   35.948   2.4466  158.607   20.645  155.000   29.223  162.200   29.169   34.777   3.6112   35.658   3.5097 -0.8811378 5.035802 
1 1 1   27   16   13 o   15.994   1.6983   31.060   6.3159   38.400   8.9882   23.900   8.8771   17.650   2.2047   13.667   2.8433 3.982934 3.597923 
1 1 1   27   16   14 o   31.201   2.2434  119.128   16.419  122.100   23.515  116.300   22.935   31.002   3.2611   30.250   3.2625 0.7526455 4.612832 
1 1 1   27   16   15 o   20.913   2.7234   54.900   13.130   0.0000   0.0000   54.900   13.130  ?   ?    20.913   2.7234 0.000000 2.723390 
1 1 1   27   16   16 o   6.6634   2.1417   5.3000   3.8237   0.0000   0.0000   5.3000   3.8237  ?   ?    6.6634   2.1417 0.000000 2.141660 
1 1 1   27   16   17 o   13.727   2.4716   23.800   7.7169   0.0000   0.0000   23.800   7.7169  ?   ?    13.727   2.4716 0.000000 2.471587 
1 1 1   27   16   18 f   18.337   2.6718   42.400   11.229   0.0000   0.0000   42.400   11.229  ?   ?    18.337   2.6718 0.000000 2.671779 
1 1 1   27   16   19 o   31.448   3.3944  127.500   24.808   0.0000   0.0000  127.500   24.808  ?   ?    31.448   3.3944 0.000000 3.394416 
1 1 1   27   16   20 o   12.068   2.6065   18.700   7.2104   0.0000   0.0000   18.700   7.2104  ?   ?    12.068   2.6065 0.000000 2.606455 
1 1 1   27   16   21 o   2.2547   1.0731  -2.0000   1.5668   0.0000   0.0000  -2.0000   1.5668  ?   ?    2.2547   1.0731 0.000000 1.073071 
1 1 1   27   16   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   16   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17    0 o   10.168   2.9423   15.100   6.1295   15.100   6.1295   15.100   6.1295   10.168   2.9423   10.168   2.9423 0.000000 0.000000 
1 1 1   27   17    1 o   17.800   1.7724   38.349   7.3508   38.600   10.424   38.100   10.368   17.625   2.5811   17.507   2.5858 0.1184158 3.653510 
1 1 1   27   17    2 o   14.410   1.6862   25.186   5.6291   24.000   7.9135   26.400   8.0088   13.845   2.5130   14.567   2.4127 -0.7216110 3.483750 
1 1 1   27   17    3 o   18.146   1.7793   39.850   7.5260   39.900   10.643   39.800   10.643   17.919   2.5906   17.895   2.5944 0.2409554E-01 3.666361 
1 1 1   27   17    4 o   12.928   1.6917   20.341   5.0403   21.800   7.1496   18.900   7.1067   13.215   2.3786   12.244   2.5413 0.9716854 3.480778 
1 1 1   27   17    5 f   25.005   1.9824   75.742   11.609   70.300   16.405   81.200   16.430   23.703   2.9981   25.601   2.7616 -1.898058 4.076181 
1 1 1   27   17    6 o   8.9111   1.7288   9.8330   3.5065   7.9000   4.8779   11.900   5.0441   8.0067   2.3945   9.7269   2.2420 -1.720227 3.280286 
1 1 1   27   17    7 o   31.736   2.2407  122.598   16.684  131.000   23.599  114.200   23.592   32.365   3.1268   30.059   3.3826 2.305868 4.606375 
1 1 1   27   17    8 o   17.116   1.7442   35.499   6.9512   35.700   9.8458   35.300   9.8152   16.931   2.5411   16.831   2.5494 0.9968376E-01 3.599591 
1 1 1   27   17    9 o   34.317   2.3716  143.962   19.101  139.900   27.054  148.000   26.972   33.172   3.5070   34.209   3.3833 -1.037369 4.872929 
1 1 1   27   17   10 o   27.180   2.0654   89.846   13.157   79.400   18.603  100.300   18.610   25.024   3.2231   28.384   2.8137 -3.359947 4.278469 
1 1 1   27   17   11 o   19.654   1.7716   46.819   8.1340   55.600   11.662   38.500   11.351   21.230   2.3665   17.444   2.8543 3.786089 3.707803 
1 1 1   27   17   12 o   25.001   1.9975   76.052   11.694   74.500   16.551   77.600   16.525   24.333   2.9400   24.878   2.8654 -0.5441589 4.105373 
1 1 1   27   17   13 o   45.015   2.7347  251.357   28.931  286.900   41.116  216.500   40.717   47.160   3.7224   40.330   4.3440 6.830292 5.720714 
1 1 1   27   17   14 o   21.326   2.7383   57.100   13.471   0.0000   0.0000   57.100   13.471  ?   ?    21.326   2.7383 0.000000 2.738312 
1 1 1   27   17   15 f   14.739   2.5310   27.400   8.4912   0.0000   0.0000   27.400   8.4912  ?   ?    14.739   2.5310 0.000000 2.530970 
1 1 1   27   17   16 o   42.281   4.1393  237.200   40.797   0.0000   0.0000  237.200   40.797  ?   ?    42.281   4.1393 0.000000 4.139336 
1 1 1   27   17   17 o   4.0354   1.6416   0.8000   2.4545   0.0000   0.0000   0.8000   2.4545  ?   ?    4.0354   1.6416 0.000000 1.641564 
1 1 1   27   17   18 o   20.775   2.7218   54.400   13.031   0.0000   0.0000   54.400   13.031  ?   ?    20.775   2.7218 0.000000 2.721833 
1 1 1   27   17   19 o   3.1095   1.4441  -2.2000   2.5475   0.0000   0.0000  -2.2000   2.5475  ?   ?    3.1095   1.4441 0.000000 1.444058 
1 1 1   27   17   20 o  ?   ?   -6.1000   1.0625   0.0000   0.0000  -6.1000   1.0625  ?   ?   ?   ?  0.000000      ? 
1 1 1   27   17   21 o   11.090   2.6082   15.900   6.7154   0.0000   0.0000   15.900   6.7154  ?   ?    11.090   2.6082 0.000000 2.608154 
1 1 1   27   17   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   17   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18    0 o   7.9900   2.8643   10.100   4.9403   10.100   4.9403   10.100   4.9403   7.9900   2.8643   7.9900   2.8643 0.000000 0.000000 
1 1 1   27   18    1 f   10.133   1.7420   12.645   4.0182   14.600   5.6195   10.600   5.7477   10.785   2.2780   9.1825   2.5565 1.602111 3.424232 
1 1 1   27   18    2 o   18.591   1.7863   41.841   7.7453   44.900   10.969   38.800   10.938   19.050   2.4988   17.614   2.7171 1.435972 3.691435 
1 1 1   27   18    3 o   19.935   1.8150   48.096   8.4503   49.700   11.964   46.500   11.937   20.023   2.5912   19.323   2.6891 0.6999931 3.734367 
1 1 1   27   18    4 o   50.133   3.0519  312.209   35.957  353.300   50.908  271.300   50.795   52.261   4.1597   45.072   4.8488 7.188137 6.388574 
1 1 1   27   18    5 f   22.612   1.9085   61.952   10.095   61.400   14.300   62.500   14.254   22.197   2.7898   22.413   2.7510 -0.2164078 3.918033 
1 1 1   27   18    6 o   34.385   2.3726  144.459   19.147  151.200   27.060  137.700   27.095   34.617   3.3524   32.901   3.5434 1.715843 4.877935 
1 1 1   27   18    7 o   19.817   1.8351   47.617   8.4898   51.600   11.981   43.600   12.032   20.400   2.5422   18.625   2.8245 1.775906 3.800067 
1 1 1   27   18    8 o   40.475   2.6449  201.988   25.140  199.000   35.479  205.000   35.627   39.241   3.8797   39.875   3.8308 -0.6334343 5.452253 
1 1 1   27   18    9 o   12.760   1.7195   19.893   5.0492   20.900   7.1648   18.900   7.1168   12.885   2.4443   12.210   2.5507 0.6752720 3.532768 
1 1 1   27   18   10 o   18.269   1.8024   40.545   7.6740   42.700   10.865   38.400   10.840   18.501   2.5551   17.469   2.7161 1.032021 3.729084 
1 1 1   27   18   11 f   36.284   2.4080  161.646   20.514  177.700   29.106  145.800   28.917   37.414   3.3293   33.588   3.7077 3.825806 4.983116 
1 1 1   27   18   12 o   24.476   1.9928   72.974   11.418   62.300   16.165   83.600   16.129   22.079   3.1933   25.903   2.6755 -3.824511 4.165988 
1 1 1   27   18   13 o   19.683   2.6632   48.600   12.060   0.0000   0.0000   48.600   12.060  ?   ?    19.683   2.6632 0.000000 2.663235 
1 1 1   27   18   14 o   26.756   3.0531   90.700   18.944   0.0000   0.0000   90.700   18.944  ?   ?    26.756   3.0531 0.000000 3.053134 
1 1 1   27   18   15 f   11.174   2.4628   15.900   6.3233   0.0000   0.0000   15.900   6.3233  ?   ?    11.174   2.4628 0.000000 2.462808 
1 1 1   27   18   16 f   13.438   2.5330   22.900   7.7427   0.0000   0.0000   22.900   7.7427  ?   ?    13.438   2.5330 0.000000 2.532974 
1 1 1   27   18   17 o   10.097   2.3908   13.000   5.6120   0.0000   0.0000   13.000   5.6120  ?   ?    10.097   2.3908 0.000000 2.390789 
1 1 1   27   18   18 o   32.981   3.4605  141.000   26.548   0.0000   0.0000  141.000   26.548  ?   ?    32.981   3.4605 0.000000 3.460495 
1 1 1   27   18   19 o   9.2329   2.6418   10.900   6.0511   0.0000   0.0000   10.900   6.0511  ?   ?    9.2329   2.6418 0.000000 2.641790 
1 1 1   27   18   20 o   14.414   2.7032   26.700   8.8625   0.0000   0.0000   26.700   8.8625  ?   ?    14.414   2.7032 0.000000 2.703166 
1 1 1   27   18   21 f   11.214   2.5780   16.300   6.6835   0.0000   0.0000   16.300   6.6835  ?   ?    11.214   2.5780 0.000000 2.577982 
1 1 1   27   18   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   18   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19    0 o   26.534   3.0409   88.300   18.405   88.300   18.405   88.300   18.405   26.534   3.0409   26.534   3.0409 0.000000 0.000000 
1 1 1   27   19    1 o   25.012   1.9972   75.916   11.697   78.900   16.499   72.900   16.587   25.172   2.8244   24.118   2.9756 1.054356 4.102643 
1 1 1   27   19    2 o   39.390   2.5938  190.702   23.991  187.900   33.940  193.500   33.917   38.251   3.8082   38.875   3.7409 -0.6238403 5.338239 
1 1 1   27   19    3 o   34.835   2.3396  148.250   19.133  167.600   27.094  129.000   27.024   36.550   3.1706   31.716   3.6765 4.834221 4.854806 
1 1 1   27   19    4 o   41.071   2.6543  207.866   25.604  230.900   36.237  184.900   36.184   42.530   3.6434   37.626   4.1411 4.904007 5.515676 
1 1 1   27   19    5 o   26.200   2.0464   83.470   12.560   87.200   17.715   79.700   17.811   26.415   2.8871   25.156   3.0615 1.258909 4.208085 
1 1 1   27   19    6 o   10.927   1.7488   14.688   4.3602   12.800   6.2310   16.500   6.1035   10.030   2.6069   11.447   2.3372 -1.417012 3.501205 
1 1 1   27   19    7 o   39.409   2.5860  191.380   23.931  201.700   33.875  181.100   33.811   39.652   3.6592   37.370   3.8885 2.281834 5.339487 
1 1 1   27   19    8 f   16.990   1.7494   35.057   6.9180   38.300   9.7732   31.800   9.7938   17.555   2.4222   15.869   2.7110 1.686198 3.635461 
1 1 1   27   19    9 o   35.318   2.2737  152.533   18.862  179.700   26.833  126.000   26.518   37.857   3.0270   31.240   3.6644 6.616774 4.752935 
1 1 1   27   19   10 o   21.657   1.8713   56.996   9.4756   60.200   13.517   53.900   13.287   21.955   2.6617   20.705   2.7886 1.250149 3.854958 
1 1 1   27   19   11 o   24.180   1.9587   71.172   11.088   77.300   15.782   65.200   15.581   24.866   2.7328   22.697   2.9790 2.168606 4.042598 
1 1 1   27   19   12 o   34.711   2.3128  147.839   18.848  164.000   26.877  132.200   26.439   35.965   3.1981   32.008   3.5583 3.957703 4.784281 
1 1 1   27   19   13 o   42.299   4.1508  237.000   40.925   0.0000   0.0000  237.000   40.925  ?   ?    42.299   4.1508 0.000000 4.150750 
1 1 1   27   19   14 o   27.562   3.0865   96.400   19.743   0.0000   0.0000   96.400   19.743  ?   ?    27.562   3.0865 0.000000 3.086496 
1 1 1   27   19   15 o   31.119   3.2940  123.900   23.837   0.0000   0.0000  123.900   23.837  ?   ?    31.119   3.2940 0.000000 3.293990 
1 1 1   27   19   16 o   13.101   2.5095   21.800   7.4808   0.0000   0.0000   21.800   7.4808  ?   ?    13.101   2.5095 0.000000 2.509481 
1 1 1   27   19   17 o   14.439   2.5808   26.500   8.4764   0.0000   0.0000   26.500   8.4764  ?   ?    14.439   2.5808 0.000000 2.580779 
1 1 1   27   19   18 o   15.879   2.7777   32.300   10.036   0.0000   0.0000   32.300   10.036  ?   ?    15.879   2.7777 0.000000 2.777717 
1 1 1   27   19   19 o   39.534   4.0355  210.400   37.145   0.0000   0.0000  210.400   37.145  ?   ?    39.534   4.0355 0.000000 4.035469 
1 1 1   27   19   20 f   17.044   2.7726   37.400   10.775   0.0000   0.0000   37.400   10.775  ?   ?    17.044   2.7726 0.000000 2.772584 
1 1 1   27   19   21 o   31.861   3.5404  135.700   26.186   0.0000   0.0000  135.700   26.186  ?   ?    31.861   3.5404 0.000000 3.540424 
1 1 1   27   19   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   19   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20    0 o   18.840   2.7833   45.400   11.589   45.400   11.589   45.400   11.589   18.840   2.7833   18.840   2.7833 0.000000 0.000000 
1 1 1   27   20    1 o   27.857   2.1196   94.537   13.838  102.600   19.526   86.400   19.614   28.640   2.9284   26.089   3.2546 2.550617 4.378162 
1 1 1   27   20    2 o   6.4296   1.7583   5.1290   2.7464   8.2000   3.8975   2.1000   3.8707   8.0808   2.0417   5.3467   2.0990 2.734166 2.928252 
1 1 1   27   20    3 o   16.731   1.7368   33.984   6.7620   27.800   9.5125   40.300   9.6143   14.781   2.8285   18.060   2.3071 -3.279702 3.650113 
1 1 1   27   20    4 o   40.762   2.6653  205.249   25.514  214.700   36.084  195.800   36.079   40.799   3.7888   38.767   3.9986 2.032284 5.508530 
1 1 1   27   20    5 o   28.436   2.1193   98.549   14.129   96.400   19.977  100.700   19.985   27.634   3.1159   28.293   3.0389 -0.6592197 4.352410 
1 1 1   27   20    6 o   4.4500   1.5837   2.0500   2.0945   2.8000   2.9621   1.3000   2.9621   5.2277   1.8809   4.5628   1.8219 0.6649299 2.618582 
1 1 1   27   20    7 f   11.803   1.7741   17.117   4.7916   22.000   6.7308   12.100   6.8228   13.284   2.2243   9.7600   2.8089 3.524096 3.582982 
1 1 1   27   20    8 o   14.157   1.6059   24.343   5.2735   33.800   7.7277   16.100   7.2145   16.596   2.0131   11.199   2.7485 5.396749 3.406907 
1 1 1   27   20    9 o   16.592   1.7286   33.462   6.6731   40.000   9.5023   27.100   9.3735   17.976   2.2907   14.563   2.8277 3.412645 3.639128 
1 1 1   27   20   10 o   15.119   1.6940   27.816   5.9439   36.800   8.4459   19.000   8.3665   17.288   2.1129   12.118   2.9513 5.170275 3.629629 
1 1 1   27   20   11 o   24.566   1.9326   73.426   11.121   82.000   15.942   65.300   15.521   25.637   2.6727   22.710   2.9649 2.926735 3.991729 
1 1 1   27   20   12 o   5.0081   1.8239   2.5000   2.7971   0.0000   0.0000   2.5000   2.7971  ?   ?    5.0081   1.8239 0.000000 1.823913 
1 1 1   27   20   13 o   8.4043   2.3726   8.9000   4.9146   0.0000   0.0000   8.9000   4.9146  ?   ?    8.4043   2.3726 0.000000 2.372568 
1 1 1   27   20   14 o   34.283   3.5154  151.800   28.056   0.0000   0.0000  151.800   28.056  ?   ?    34.283   3.5154 0.000000 3.515360 
1 1 1   27   20   15 o   14.326   2.5333   26.000   8.2562   0.0000   0.0000   26.000   8.2562  ?   ?    14.326   2.5333 0.000000 2.533285 
1 1 1   27   20   16 o   10.670   2.5083   14.600   6.2135   0.0000   0.0000   14.600   6.2135  ?   ?    10.670   2.5083 0.000000 2.508339 
1 1 1   27   20   17 o   10.286   2.5217   13.600   6.0778   0.0000   0.0000   13.600   6.0778  ?   ?    10.286   2.5217 0.000000 2.521737 
1 1 1   27   20   18 o   15.391   2.7229   30.400   9.5339   0.0000   0.0000   30.400   9.5339  ?   ?    15.391   2.7229 0.000000 2.722898 
1 1 1   27   20   19 f   9.4704   2.5694   11.600   5.8919   0.0000   0.0000   11.600   5.8919  ?   ?    9.4704   2.5694 0.000000 2.569379 
1 1 1   27   20   20 o   15.138   2.7573   29.800   9.4931   0.0000   0.0000   29.800   9.4931  ?   ?    15.138   2.7573 0.000000 2.757347 
1 1 1   27   20   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   20   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21    0 o   21.326   2.8065   57.600   13.453   57.600   13.453   57.600   13.453   21.326   2.8065   21.326   2.8065 0.000000 0.000000 
1 1 1   27   21    1 o   16.798   1.7518   34.288   6.8465   39.000   9.6943   29.600   9.6705   17.729   2.3753   15.266   2.7852 2.462955 3.660569 
1 1 1   27   21    2 o   22.176   1.8717   59.709   9.7096   66.700   13.772   52.800   13.691   23.181   2.5586   20.444   2.9190 2.737108 3.881586 
1 1 1   27   21    3 o   12.121   1.7043   17.983   4.7432   21.500   6.7239   14.500   6.6919   13.121   2.2512   10.647   2.6673 2.474345 3.490302 
1 1 1   27   21    4 o   11.480   1.6987   16.163   4.4658   16.800   6.2551   15.500   6.3778   11.531   2.3763   11.037   2.5045 0.4938126 3.452403 
1 1 1   27   21    5 o   32.977   2.2704  133.136   17.572  120.800   24.787  145.600   24.915   30.683   3.4828   33.956   3.1430 -3.273565 4.691323 
1 1 1   27   21    6 o   27.243   2.0701   90.495   13.218   93.100   18.711   87.900   18.674   27.198   2.9613   26.368   3.0559 0.8299770 4.255270 
1 1 1   27   21    7 o   14.477   1.7319   25.559   5.8031   28.200   8.1928   22.900   8.2209   15.016   2.3906   13.405   2.6906 1.611150 3.599225 
1 1 1   27   21    8 o   31.488   2.2483  121.447   16.607  123.100   23.510  119.800   23.461   31.109   3.2483   30.656   3.2925 0.4528847 4.625153 
1 1 1   27   21    9 f   10.655   1.6894   13.971   4.1087   17.300   5.8829   10.800   5.7410   11.744   2.2022   9.2228   2.5505 2.521473 3.369649 
1 1 1   27   21   10 o   27.934   2.0397   95.119   13.362  107.100   19.170   83.800   18.633   29.251   2.8099   25.666   3.1400 3.585497 4.213705 
1 1 1   27   21   11 o   15.092   2.5331   28.700   8.7075   0.0000   0.0000   28.700   8.7075  ?   ?    15.092   2.5331 0.000000 2.533108 
1 1 1   27   21   12 o   10.102   2.4080   13.000   5.6631   0.0000   0.0000   13.000   5.6631  ?   ?    10.102   2.4080 0.000000 2.408003 
1 1 1   27   21   13 o   29.069   3.1634  107.800   21.364   0.0000   0.0000  107.800   21.364  ?   ?    29.069   3.1634 0.000000 3.163380 
1 1 1   27   21   14 o   9.9256   2.4509   12.600   5.7103   0.0000   0.0000   12.600   5.7103  ?   ?    9.9256   2.4509 0.000000 2.450940 
1 1 1   27   21   15 o   29.773   3.2313  113.900   22.354   0.0000   0.0000  113.900   22.354  ?   ?    29.773   3.2313 0.000000 3.231347 
1 1 1   27   21   16 o   22.861   2.8415   66.400   15.008   0.0000   0.0000   66.400   15.008  ?   ?    22.861   2.8415 0.000000 2.841469 
1 1 1   27   21   17 o   35.679   3.7144  169.000   30.835   0.0000   0.0000  169.000   30.835  ?   ?    35.679   3.7144 0.000000 3.714404 
1 1 1   27   21   18 f   5.9476   2.2327   3.4000   4.2471   0.0000   0.0000   3.4000   4.2471  ?   ?    5.9476   2.2327 0.000000 2.232688 
1 1 1   27   21   19 o   17.794   2.7389   40.900   11.139   0.0000   0.0000   40.900   11.139  ?   ?    17.794   2.7389 0.000000 2.738885 
1 1 1   27   21   20 o   23.476   3.0347   72.600   16.429   0.0000   0.0000   72.600   16.429  ?   ?    23.476   3.0347 0.000000 3.034699 
1 1 1   27   21   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   21   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22    0 o  ?   ?   -2.2000   0.5312  -2.2000   0.5312  -2.2000   0.5312  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   27   22    1 o   14.246   1.7298   24.754   5.6998   26.900   8.0535   22.600   8.0679   14.655   2.4111   13.329   2.6566 1.325774 3.587625 
1 1 1   27   22    2 o   20.942   1.8503   53.291   9.0557   57.400   12.820   49.200   12.793   21.464   2.5812   19.750   2.8235 1.714167 3.825501 
1 1 1   27   22    3 o   15.357   1.6660   28.650   5.9444   21.500   8.1926   36.600   8.6385   12.960   2.7615   17.226   2.1720 -4.265718 3.513343 
1 1 1   27   22    4 o   10.405   1.8105   13.406   4.2871   10.700   6.2569   15.800   5.8859   9.2075   2.7015   11.189   2.3044 -1.981537 3.550871 
1 1 1   27   22    5 o   30.593   2.1913  114.450   15.725  121.700   22.317  107.300   22.161   31.041   3.0855   29.001   3.2946 2.040201 4.513833 
1 1 1   27   22    6 o   16.509   1.7518   33.165   6.7250   26.700   9.5219   39.600   9.4994   14.425   2.8960   17.877   2.3040 -3.451464 3.700701 
1 1 1   27   22    7 o   17.746   1.7793   38.303   7.3558   40.600   10.513   36.100   10.296   18.014   2.5422   16.922   2.6647 1.091766 3.682833 
1 1 1   27   22    8 o   23.586   1.9790   67.803   10.920   64.000   15.553   71.500   15.337   22.462   3.0078   23.878   2.7715 -1.416409 4.089971 
1 1 1   27   22    9 o   22.468   1.9339   61.499   10.161   63.300   14.583   59.800   14.164   22.424   2.8162   21.786   2.8194 0.6382790 3.985001 
1 1 1   27   22   10 o   18.962   2.6511   45.200   11.546   0.0000   0.0000   45.200   11.546  ?   ?    18.962   2.6511 0.000000 2.651101 
1 1 1   27   22   11 f   9.4148   2.4296   11.300   5.4378   0.0000   0.0000   11.300   5.4378  ?   ?    9.4148   2.4296 0.000000 2.429626 
1 1 1   27   22   12 o   23.139   2.8437   67.700   15.211   0.0000   0.0000   67.700   15.211  ?   ?    23.139   2.8437 0.000000 2.843739 
1 1 1   27   22   13 o   24.909   2.9393   78.800   16.956   0.0000   0.0000   78.800   16.956  ?   ?    24.909   2.9393 0.000000 2.939332 
1 1 1   27   22   14 f   18.907   2.6621   45.200   11.556   0.0000   0.0000   45.200   11.556  ?   ?    18.907   2.6621 0.000000 2.662123 
1 1 1   27   22   15 o   4.2364   1.7110   1.0000   2.6451   0.0000   0.0000   1.0000   2.6451  ?   ?    4.2364   1.7110 0.000000 1.710972 
1 1 1   27   22   16 o   32.629   3.4832  140.000   26.423   0.0000   0.0000  140.000   26.423  ?   ?    32.629   3.4832 0.000000 3.483166 
1 1 1   27   22   17 o   12.377   2.8158   20.100   8.0446   0.0000   0.0000   20.100   8.0446  ?   ?    12.377   2.8158 0.000000 2.815840 
1 1 1   27   22   18 o   24.425   3.0515   78.000   17.216   0.0000   0.0000   78.000   17.216  ?   ?    24.425   3.0515 0.000000 3.051498 
1 1 1   27   22   19 o   14.223   2.7868   26.700   9.0248   0.0000   0.0000   26.700   9.0248  ?   ?    14.223   2.7868 0.000000 2.786833 
1 1 1   27   22   20 o   6.4584   2.3966   4.4000   4.8660   0.0000   0.0000   4.4000   4.8660  ?   ?    6.4584   2.3966 0.000000 2.396620 
1 1 1   27   22   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   22   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23    0 o   7.6926   2.8343   9.5000   4.7659   9.5000   4.7659   9.5000   4.7659   7.6926   2.8343   7.6926   2.8343 0.000000 0.000000 
1 1 1   27   23    1 o   5.8754   1.7781   4.1926   2.6782   4.7000   3.5252   3.5000   4.1186   6.3186   2.0586   5.9773   2.2075 0.3413525 3.018430 
1 1 1   27   23    2 f   18.530   1.7966   41.747   7.7626   39.200   10.973   44.300   10.983   17.628   2.7238   18.837   2.5335 -1.208908 3.719935 
1 1 1   27   23    3 o   28.773   2.1252  101.096   14.337  108.500   20.350   93.800   20.202   29.360   2.9764   27.143   3.2144 2.217205 4.380816 
1 1 1   27   23    4 o   44.749   2.5739  247.313   27.084  321.700   38.469  174.200   38.138   50.413   3.2488   35.839   4.6136 14.57412 5.642648 
1 1 1   27   23    5 o   13.044   1.7818   20.858   5.3448   19.500   7.7339   22.100   7.3948   12.334   2.7278   13.233   2.4569 -0.8990440 3.671182 
1 1 1   27   23    6 o   4.4734   1.6414   1.9390   2.2715   5.2000   3.3296  -0.9000   3.1067   6.5277   1.9842   3.8928   1.7200 2.634904 2.625952 
1 1 1   27   23    7 o   41.992   2.7680  219.730   27.293  230.700   38.546  208.700   38.650   41.938   3.9386   39.615   4.1955 2.322392 5.754541 
1 1 1   27   23    8 o   8.9621   2.3714   10.200   5.0965   0.0000   0.0000   10.200   5.0965  ?   ?    8.9621   2.3714 0.000000 2.371407 
1 1 1   27   23    9 o   25.809   2.9990   84.500   17.936   0.0000   0.0000   84.500   17.936  ?   ?    25.809   2.9990 0.000000 2.998986 
1 1 1   27   23   10 o   12.469   2.5173   19.800   7.1562   0.0000   0.0000   19.800   7.1562  ?   ?    12.469   2.5173 0.000000 2.517299 
1 1 1   27   23   11 o   15.855   2.5746   31.800   9.3088   0.0000   0.0000   31.800   9.3088  ?   ?    15.855   2.5746 0.000000 2.574633 
1 1 1   27   23   12 o   30.157   3.2638  117.000   22.872   0.0000   0.0000  117.000   22.872  ?   ?    30.157   3.2638 0.000000 3.263847 
1 1 1   27   23   13 o   23.793   2.9005   72.100   15.959   0.0000   0.0000   72.100   15.959  ?   ?    23.793   2.9005 0.000000 2.900455 
1 1 1   27   23   14 o   4.0796   1.6647   0.8000   2.5339   0.0000   0.0000   0.8000   2.5339  ?   ?    4.0796   1.6647 0.000000 1.664658 
1 1 1   27   23   15 f   19.143   2.6957   46.800   11.848   0.0000   0.0000   46.800   11.848  ?   ?    19.143   2.6957 0.000000 2.695710 
1 1 1   27   23   16 o   10.702   2.6806   15.000   6.7599   0.0000   0.0000   15.000   6.7599  ?   ?    10.702   2.6806 0.000000 2.680629 
1 1 1   27   23   17 o   11.060   2.7727   16.200   7.2273   0.0000   0.0000   16.200   7.2273  ?   ?    11.060   2.7727 0.000000 2.772656 
1 1 1   27   23   18 o   11.024   2.8533   16.300   7.4853   0.0000   0.0000   16.300   7.4853  ?   ?    11.024   2.8533 0.000000 2.853336 
1 1 1   27   23   19 o   6.0921   2.3199   3.6000   4.6241   0.0000   0.0000   3.6000   4.6241  ?   ?    6.0921   2.3199 0.000000 2.319877 
1 1 1   27   23   20 o   19.088   2.8751   48.800   12.557   0.0000   0.0000   48.800   12.557  ?   ?    19.088   2.8751 0.000000 2.875052 
1 1 1   27   23   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   23   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24    0 o   33.072   3.4076  138.000   25.964  138.000   25.964  138.000   25.964   33.072   3.4076   33.072   3.4076 0.000000 0.000000 
1 1 1   27   24    1 o   14.357   1.7059   25.138   5.6702   29.500   8.0771   20.900   7.9620   15.387   2.2930   12.771   2.7233 2.616111 3.560084 
1 1 1   27   24    2 o   30.270   2.1654  112.117   15.376  121.300   21.844  103.100   21.646   30.991   3.0235   28.383   3.2907 2.607100 4.468803 
1 1 1   27   24    3 o   13.491   1.7208   22.253   5.3573   23.800   7.6985   20.800   7.4598   13.732   2.4647   12.787   2.5598 0.9447985 3.553478 
1 1 1   27   24    4 f   20.550   1.9868   51.646   9.5207   41.700   13.676   61.000   13.263   17.878   3.3628   22.097   2.5909 -4.219023 4.245172 
1 1 1   27   24    5 o   30.037   2.2990  110.998   16.183   86.900   22.981  134.700   22.791   25.594   3.9280   32.669   2.9875 -7.075583 4.934988 
1 1 1   27   24    6 o   17.428   1.7789   37.009   7.2183   40.900   10.405   33.400   10.022   18.070   2.5060   16.220   2.7124 1.849747 3.692886 
1 1 1   27   24    7 o   14.786   2.5001   27.600   8.4182   0.0000   0.0000   27.600   8.4182  ?   ?    14.786   2.5001 0.000000 2.500089 
1 1 1   27   24    8 f   16.460   2.5754   34.200   9.6820   0.0000   0.0000   34.200   9.6820  ?   ?    16.460   2.5754 0.000000 2.575440 
1 1 1   27   24    9 o   1.9650   0.9398  -1.7000   1.2329   0.0000   0.0000  -1.7000   1.2329  ?   ?    1.9650   0.9398 0.000000 0.9397606 
1 1 1   27   24   10 o   19.801   2.7085   49.600   12.332   0.0000   0.0000   49.600   12.332  ?   ?    19.801   2.7085 0.000000 2.708477 
1 1 1   27   24   11 o   26.347   3.0483   88.900   18.615   0.0000   0.0000   88.900   18.615  ?   ?    26.347   3.0483 0.000000 3.048308 
1 1 1   27   24   12 o   22.331   2.8283   63.600   14.580   0.0000   0.0000   63.600   14.580  ?   ?    22.331   2.8283 0.000000 2.828321 
1 1 1   27   24   13 o   4.2073   1.6987   1.0000   2.6062   0.0000   0.0000   1.0000   2.6062  ?   ?    4.2073   1.6987 0.000000 1.698660 
1 1 1   27   24   14 o   24.248   2.9585   76.000   16.588   0.0000   0.0000   76.000   16.588  ?   ?    24.248   2.9585 0.000000 2.958465 
1 1 1   27   24   15 o   15.878   2.6618   32.600   9.6270   0.0000   0.0000   32.600   9.6270  ?   ?    15.878   2.6618 0.000000 2.661807 
1 1 1   27   24   16 o   15.579   2.7094   31.700   9.6055   0.0000   0.0000   31.700   9.6055  ?   ?    15.579   2.7094 0.000000 2.709364 
1 1 1   27   24   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   18 o   6.1732   2.3354   3.8000   4.6667   0.0000   0.0000   3.8000   4.6667  ?   ?    6.1732   2.3354 0.000000 2.335369 
1 1 1   27   24   19 o   15.687   2.9075   33.400   10.374   0.0000   0.0000   33.400   10.374  ?   ?    15.687   2.9075 0.000000 2.907520 
1 1 1   27   24   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   24   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25    0 o   27.042   3.1152   92.500   19.207   92.500   19.207   92.500   19.207   27.042   3.1152   27.042   3.1152 0.000000 0.000000 
1 1 1   27   25    1 o   33.521   2.2516  138.001   17.720  167.400   25.167  109.100   24.953   36.446   2.9496   28.818   3.7561 7.627193 4.775841 
1 1 1   27   25    2 o   21.791   1.9186   57.941   9.7713   59.600   13.855   56.300   13.783   21.739   2.7613   21.082   2.8409 0.6570759 3.961787 
1 1 1   27   25    3 o   23.687   1.9187   68.401   10.640   77.000   15.136   60.000   14.960   24.815   2.6227   21.689   3.0016 3.126463 3.985970 
1 1 1   27   25    4 o   45.800   2.9766  264.379   32.017  260.400   45.448  268.300   45.113   43.798   4.4565   44.611   4.3373 -0.8131981 6.218727 
1 1 1   27   25    5 o   20.503   1.9712   51.464   9.4260   46.400   13.713   56.000   12.978   18.936   3.1793   21.099   2.6643 -2.163004 4.148052 
1 1 1   27   25    6 o   5.1240   1.9037   2.5000   3.0721   0.0000   0.0000   2.5000   3.0721  ?   ?    5.1240   1.9037 0.000000 1.903714 
1 1 1   27   25    7 o   7.1222   2.2261   6.2000   4.1563   0.0000   0.0000   6.2000   4.1563  ?   ?    7.1222   2.2261 0.000000 2.226124 
1 1 1   27   25    8 o   25.064   2.9555   80.100   17.156   0.0000   0.0000   80.100   17.156  ?   ?    25.064   2.9555 0.000000 2.955520 
1 1 1   27   25    9 o   5.0871   2.0038   1.9000   3.5381   0.0000   0.0000   1.9000   3.5381  ?   ?    5.0871   2.0038 0.000000 2.003750 
1 1 1   27   25   10 o   16.336   2.6044   34.000   9.7092   0.0000   0.0000   34.000   9.7092  ?   ?    16.336   2.6044 0.000000 2.604396 
1 1 1   27   25   11 o   8.9139   2.3775   10.200   5.0965   0.0000   0.0000   10.200   5.0965  ?   ?    8.9139   2.3775 0.000000 2.377500 
1 1 1   27   25   12 o   29.076   3.2418  110.700   21.879   0.0000   0.0000  110.700   21.879  ?   ?    29.076   3.2418 0.000000 3.241815 
1 1 1   27   25   13 o   23.645   2.9150   72.500   15.931   0.0000   0.0000   72.500   15.931  ?   ?    23.645   2.9150 0.000000 2.915007 
1 1 1   27   25   14 o   19.884   2.7588   51.300   12.605   0.0000   0.0000   51.300   12.605  ?   ?    19.884   2.7588 0.000000 2.758832 
1 1 1   27   25   15 o   4.2501   1.8513  -0.4000   3.4844   0.0000   0.0000  -0.4000   3.4844  ?   ?    4.2501   1.8513 0.000000 1.851330 
1 1 1   27   25   16 o   14.229   2.7941   27.000   9.0534   0.0000   0.0000   27.000   9.0534  ?   ?    14.229   2.7941 0.000000 2.794106 
1 1 1   27   25   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   18 o   13.607   2.7872   25.100   8.6545   0.0000   0.0000   25.100   8.6545  ?   ?    13.607   2.7872 0.000000 2.787225 
1 1 1   27   25   19 o   8.5553   2.6411   9.8000   5.8707   0.0000   0.0000   9.8000   5.8707  ?   ?    8.5553   2.6411 0.000000 2.641083 
1 1 1   27   25   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   25   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26    0 o   5.5028   2.8312   5.4000   4.6968   5.4000   4.6968   5.4000   4.6968   5.5028   2.8312   5.5028   2.8312 0.000000 0.000000 
1 1 1   27   26    1 o   11.954   1.7770   17.627   4.8636   19.500   7.0229   15.900   6.7420   12.363   2.4918   11.109   2.6137 1.253655 3.611181 
1 1 1   27   26    2 o   11.990   1.8138   17.762   4.9746   25.000   7.0053   10.400   7.0655   14.152   2.1650   9.1173   2.9092 5.035047 3.626448 
1 1 1   27   26    3 o   35.973   2.4835  160.819   20.967  149.900   29.678  171.700   29.627   33.633   3.8037   36.311   3.4986 -2.678215 5.168003 
1 1 1   27   26    4 o   10.802   1.9314   14.575   4.7455   12.000   6.8896   16.900   6.5459   9.6627   2.8348   11.484   2.4860 -1.820948 3.770453 
1 1 1   27   26    5 o   12.977   2.4994   21.500   7.3815   0.0000   0.0000   21.500   7.3815  ?   ?    12.977   2.4994 0.000000 2.499422 
1 1 1   27   26    6 o   24.530   2.9689   77.100   16.847   0.0000   0.0000   77.100   16.847  ?   ?    24.530   2.9689 0.000000 2.968888 
1 1 1   27   26    7 o   32.594   3.4555  139.300   26.190   0.0000   0.0000  139.300   26.190  ?   ?    32.594   3.4555 0.000000 3.455478 
1 1 1   27   26    8 o   34.312   3.5933  156.000   28.682   0.0000   0.0000  156.000   28.682  ?   ?    34.312   3.5933 0.000000 3.593293 
1 1 1   27   26    9 o   18.176   2.6356   42.200   10.982   0.0000   0.0000   42.200   10.982  ?   ?    18.176   2.6356 0.000000 2.635644 
1 1 1   27   26   10 o   8.0183   2.2706   8.2000   4.4940   0.0000   0.0000   8.2000   4.4940  ?   ?    8.0183   2.2706 0.000000 2.270583 
1 1 1   27   26   11 f   19.997   2.8002   51.800   12.860   0.0000   0.0000   51.800   12.860  ?   ?    19.997   2.8002 0.000000 2.800200 
1 1 1   27   26   12 o   33.583   3.6306  153.700   28.333   0.0000   0.0000  153.700   28.333  ?   ?    33.583   3.6306 0.000000 3.630648 
1 1 1   27   26   13 o   16.105   2.6318   33.800   9.6626   0.0000   0.0000   33.800   9.6626  ?   ?    16.105   2.6318 0.000000 2.631757 
1 1 1   27   26   14 o   1.3583   0.6830  -3.0000   0.9829   0.0000   0.0000  -3.0000   0.9829  ?   ?    1.3583   0.6830 0.000000 0.6830497 
1 1 1   27   26   15 o   16.928   2.8604   38.300   11.027   0.0000   0.0000   38.300   11.027  ?   ?    16.928   2.8604 0.000000 2.860440 
1 1 1   27   26   16 o   14.625   2.8608   29.000   9.5262   0.0000   0.0000   29.000   9.5262  ?   ?    14.625   2.8608 0.000000 2.860840 
1 1 1   27   26   17 o   10.305   2.7209   14.500   6.7189   0.0000   0.0000   14.500   6.7189  ?   ?    10.305   2.7209 0.000000 2.720923 
1 1 1   27   26   18 o   13.205   2.8945   24.100   8.7767   0.0000   0.0000   24.100   8.7767  ?   ?    13.205   2.8945 0.000000 2.894501 
1 1 1   27   26   19 o   5.2602   2.1075   2.1000   3.9783   0.0000   0.0000   2.1000   3.9783  ?   ?    5.2602   2.1075 0.000000 2.107490 
1 1 1   27   26   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   26   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   27    0 o   17.254   2.9117   39.100   10.849   39.100   10.849   39.100   10.849   17.254   2.9117   17.254   2.9117 0.000000 0.000000 
1 1 1   27   27    1 o   1.6203   0.7739  -1.1286   0.8307   0.9000   0.9439  -8.1000   1.7498   2.9746   1.0626  ?   ?  0.000000 1.062642 
1 1 1   27   27    2 o   12.293   1.7836   18.688   5.0266   14.200   7.1805   23.000   7.0390   10.424   2.8400   13.487   2.2923 -3.063249 3.649643 
1 1 1   27   27    3 o   3.9951   1.7492  -0.6000   3.1465   0.0000   0.0000  -0.6000   3.1465  ?   ?    3.9951   1.7492 0.000000 1.749226 
1 1 1   27   27    4 o   16.054   2.6762   33.100   9.7884   0.0000   0.0000   33.100   9.7884  ?   ?    16.054   2.6762 0.000000 2.676224 
1 1 1   27   27    5 o   29.692   3.2738  115.400   22.572   0.0000   0.0000  115.400   22.572  ?   ?    29.692   3.2738 0.000000 3.273799 
1 1 1   27   27    6 f   29.443   3.2761  113.800   22.391   0.0000   0.0000  113.800   22.391  ?   ?    29.443   3.2761 0.000000 3.276095 
1 1 1   27   27    7 o   41.276   4.2951  239.300   41.251   0.0000   0.0000  239.300   41.251  ?   ?    41.276   4.2951 0.000000 4.295150 
1 1 1   27   27    8 o   41.380   4.3200  242.600   41.590   0.0000   0.0000  242.600   41.590  ?   ?    41.380   4.3200 0.000000 4.320033 
1 1 1   27   27    9 o   18.724   2.7096   45.400   11.632   0.0000   0.0000   45.400   11.632  ?   ?    18.724   2.7096 0.000000 2.709605 
1 1 1   27   27   10 o   21.072   2.8043   57.900   13.607   0.0000   0.0000   57.900   13.607  ?   ?    21.072   2.8043 0.000000 2.804259 
1 1 1   27   27   11 o   11.196   2.5230   16.500   6.5105   0.0000   0.0000   16.500   6.5105  ?   ?    11.196   2.5230 0.000000 2.522972 
1 1 1   27   27   12 o   14.572   2.5750   27.800   8.5363   0.0000   0.0000   27.800   8.5363  ?   ?    14.572   2.5750 0.000000 2.574966 
1 1 1   27   27   13 o   21.127   2.8543   59.300   13.875   0.0000   0.0000   59.300   13.875  ?   ?    21.127   2.8543 0.000000 2.854312 
1 1 1   27   27   14 o   6.6221   2.3883   5.0000   4.7790   0.0000   0.0000   5.0000   4.7790  ?   ?    6.6221   2.3883 0.000000 2.388305 
1 1 1   27   27   15 o   11.133   2.7390   16.900   7.1512   0.0000   0.0000   16.900   7.1512  ?   ?    11.133   2.7390 0.000000 2.739029 
1 1 1   27   27   16 o   30.784   3.6671  137.000   26.132   0.0000   0.0000  137.000   26.132  ?   ?    30.784   3.6671 0.000000 3.667076 
1 1 1   27   27   17 o   14.037   2.9264   27.300   9.3855   0.0000   0.0000   27.300   9.3855  ?   ?    14.037   2.9264 0.000000 2.926380 
1 1 1   27   27   18 o   6.6150   2.3997   5.1000   4.8348   0.0000   0.0000   5.1000   4.8348  ?   ?    6.6150   2.3997 0.000000 2.399658 
1 1 1   27   27   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   27   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   27   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   27   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   27   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   28    0 f   3.9792   2.2759   2.5000   3.3743   2.5000   3.3743   2.5000   3.3743   3.9792   2.2759   3.9792   2.2759 0.000000 0.000000 
1 1 1   27   28    1 o   14.963   1.9073   27.810   6.5855   24.700   9.6697   30.500   8.9937   13.583   3.0851   15.394   2.5644 -1.810817 4.011710 
1 1 1   27   28    2 o   8.4542   2.4119   9.2000   5.0513   0.0000   0.0000   9.2000   5.0513  ?   ?    8.4542   2.4119 0.000000 2.411878 
1 1 1   27   28    3 o   16.532   2.7332   35.500   10.297   0.0000   0.0000   35.500   10.297  ?   ?    16.532   2.7332 0.000000 2.733153 
1 1 1   27   28    4 o   15.020   2.6497   29.300   9.0540   0.0000   0.0000   29.300   9.0540  ?   ?    15.020   2.6497 0.000000 2.649650 
1 1 1   27   28    5 o   8.3746   2.5621   9.0000   5.5390   0.0000   0.0000   9.0000   5.5390  ?   ?    8.3746   2.5621 0.000000 2.562081 
1 1 1   27   28    6 o  ?   ?   -5.4000   0.8758   0.0000   0.0000  -5.4000   0.8758  ?   ?   ?   ?  0.000000      ? 
1 1 1   27   28    7 o   16.062   2.7213   33.800   9.9527   0.0000   0.0000   33.800   9.9527  ?   ?    16.062   2.7213 0.000000 2.721272 
1 1 1   27   28    8 o   32.117   3.5823  141.900   26.705   0.0000   0.0000  141.900   26.705  ?   ?    32.117   3.5823 0.000000 3.582316 
1 1 1   27   28    9 o   12.342   2.6593   20.200   7.5215   0.0000   0.0000   20.200   7.5215  ?   ?    12.342   2.6593 0.000000 2.659313 
1 1 1   27   28   10 o   3.4216   1.5855  -2.4000   3.0461   0.0000   0.0000  -2.4000   3.0461  ?   ?    3.4216   1.5855 0.000000 1.585511 
1 1 1   27   28   11 o   9.8821   2.4915   13.000   5.8125   0.0000   0.0000   13.000   5.8125  ?   ?    9.8821   2.4915 0.000000 2.491497 
1 1 1   27   28   12 o   12.585   2.5708   21.100   7.3819   0.0000   0.0000   21.100   7.3819  ?   ?    12.585   2.5708 0.000000 2.570816 
1 1 1   27   28   13 o   6.2138   2.1851   4.5000   3.9760   0.0000   0.0000   4.5000   3.9760  ?   ?    6.2138   2.1851 0.000000 2.185065 
1 1 1   27   28   14 o   20.055   3.0245   55.100   13.878   0.0000   0.0000   55.100   13.878  ?   ?    20.055   3.0245 0.000000 3.024549 
1 1 1   27   28   15 o   13.219   2.8200   24.000   8.5339   0.0000   0.0000   24.000   8.5339  ?   ?    13.219   2.8200 0.000000 2.819959 
1 1 1   27   28   16 o   21.596   3.1535   65.300   15.607   0.0000   0.0000   65.300   15.607  ?   ?    21.596   3.1535 0.000000 3.153472 
1 1 1   27   28   17 o   17.862   2.8978   44.000   11.804   0.0000   0.0000   44.000   11.804  ?   ?    17.862   2.8978 0.000000 2.897784 
1 1 1   27   28   18 o   8.8302   2.6396   10.700   5.9287   0.0000   0.0000   10.700   5.9287  ?   ?    8.8302   2.6396 0.000000 2.639641 
1 1 1   27   28   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   28   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   28   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29    1 o   16.603   2.8227   36.400   10.670   0.0000   0.0000   36.400   10.670  ?   ?    16.603   2.8227 0.000000 2.822664 
1 1 1   27   29    2 o   49.452   5.7419  405.000   65.803   0.0000   0.0000  405.000   65.803  ?   ?    49.452   5.7419 0.000000 5.741883 
1 1 1   27   29    3 o   19.943   2.7769   52.100   12.722   0.0000   0.0000   52.100   12.722  ?   ?    19.943   2.7769 0.000000 2.776923 
1 1 1   27   29    4 o   40.080   4.4082  236.600   41.031   0.0000   0.0000  236.600   41.031  ?   ?    40.080   4.4082 0.000000 4.408237 
1 1 1   27   29    5 o   2.9835   1.4005  -2.5000   2.5037   0.0000   0.0000  -2.5000   2.5037  ?   ?    2.9835   1.4005 0.000000 1.400491 
1 1 1   27   29    6 o   11.145   2.5752   16.500   6.6410   0.0000   0.0000   16.500   6.6410  ?   ?    11.145   2.5752 0.000000 2.575206 
1 1 1   27   29    7 o   4.9407   1.9313   2.0000   3.2655   0.0000   0.0000   2.0000   3.2655  ?   ?    4.9407   1.9313 0.000000 1.931349 
1 1 1   27   29    8 o   8.1966   2.4215   8.8000   5.0118   0.0000   0.0000   8.8000   5.0118  ?   ?    8.1966   2.4215 0.000000 2.421531 
1 1 1   27   29    9 o   9.7764   2.5475   12.800   5.9404   0.0000   0.0000   12.800   5.9404  ?   ?    9.7764   2.5475 0.000000 2.547514 
1 1 1   27   29   10 o   9.9269   2.6174   13.300   6.2228   0.0000   0.0000   13.300   6.2228  ?   ?    9.9269   2.6174 0.000000 2.617378 
1 1 1   27   29   11 o   8.6519   2.5911  10.0000   5.7089   0.0000   0.0000  10.0000   5.7089  ?   ?    8.6519   2.5911 0.000000 2.591129 
1 1 1   27   29   12 o   18.394   2.8810   45.900   12.102   0.0000   0.0000   45.900   12.102  ?   ?    18.394   2.8810 0.000000 2.880952 
1 1 1   27   29   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   18 o   7.5423   2.6068   7.3000   5.6474   0.0000   0.0000   7.3000   5.6474  ?   ?    7.5423   2.6068 0.000000 2.606835 
1 1 1   27   29   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   29   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30    3 o   32.934   3.7573  154.800   28.697   0.0000   0.0000  154.800   28.697  ?   ?    32.934   3.7573 0.000000 3.757252 
1 1 1   27   30    4 o   5.7369   2.1330   3.4000   3.8582   0.0000   0.0000   3.4000   3.8582  ?   ?    5.7369   2.1330 0.000000 2.133024 
1 1 1   27   30    5 o   11.069   2.5621   16.400   6.5643   0.0000   0.0000   16.400   6.5643  ?   ?    11.069   2.5621 0.000000 2.562135 
1 1 1   27   30    6 o   10.446   2.5110   14.600   6.1174   0.0000   0.0000   14.600   6.1174  ?   ?    10.446   2.5110 0.000000 2.511050 
1 1 1   27   30    7 o   4.7552   1.9425   1.3000   3.4549   0.0000   0.0000   1.3000   3.4549  ?   ?    4.7552   1.9425 0.000000 1.942468 
1 1 1   27   30    8 o   4.8235   1.9648   1.4000   3.5223   0.0000   0.0000   1.4000   3.5223  ?   ?    4.8235   1.9648 0.000000 1.964814 
1 1 1   27   30    9 o   14.102   2.7813   27.000   8.9323   0.0000   0.0000   27.000   8.9323  ?   ?    14.102   2.7813 0.000000 2.781280 
1 1 1   27   30   10 o   9.7815   2.6028   13.000   6.1173   0.0000   0.0000   13.000   6.1173  ?   ?    9.7815   2.6028 0.000000 2.602795 
1 1 1   27   30   11 o   17.871   2.8442   43.500   11.600   0.0000   0.0000   43.500   11.600  ?   ?    17.871   2.8442 0.000000 2.844171 
1 1 1   27   30   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   30   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31    4 o   7.7554   2.5955   7.7000   5.5917   0.0000   0.0000   7.7000   5.5917  ?   ?    7.7554   2.5955 0.000000 2.595515 
1 1 1   27   31    5 f   11.074   2.6792   16.700   6.9300   0.0000   0.0000   16.700   6.9300  ?   ?    11.074   2.6792 0.000000 2.679171 
1 1 1   27   31    6 o   12.558   2.6774   21.400   7.6968   0.0000   0.0000   21.400   7.6968  ?   ?    12.558   2.6774 0.000000 2.677385 
1 1 1   27   31    7 o   5.0343   1.9950   2.0000   3.5269   0.0000   0.0000   2.0000   3.5269  ?   ?    5.0343   1.9950 0.000000 1.994954 
1 1 1   27   31    8 o   8.1791   2.4975   8.9000   5.2661   0.0000   0.0000   8.9000   5.2661  ?   ?    8.1791   2.4975 0.000000 2.497462 
1 1 1   27   31    9 o   13.861   2.6901   26.100   8.4875   0.0000   0.0000   26.100   8.4875  ?   ?    13.861   2.6901 0.000000 2.690076 
1 1 1   27   31   10 o   7.9579   2.5029   8.4000   5.2447   0.0000   0.0000   8.4000   5.2447  ?   ?    7.9579   2.5029 0.000000 2.502865 
1 1 1   27   31   11 o   6.5294   2.5136   4.4000   5.4662   0.0000   0.0000   4.4000   5.4662  ?   ?    6.5294   2.5136 0.000000 2.513614 
1 1 1   27   31   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   31   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32    6 o   11.054   2.8147   17.000   7.3664   0.0000   0.0000   17.000   7.3664  ?   ?    11.054   2.8147 0.000000 2.814673 
1 1 1   27   32    7 o   11.338   2.6435   17.600   6.9473   0.0000   0.0000   17.600   6.9473  ?   ?    11.338   2.6435 0.000000 2.643548 
1 1 1   27   32    8 o   16.225   2.8384   36.100   10.479   0.0000   0.0000   36.100   10.479  ?   ?    16.225   2.8384 0.000000 2.838435 
1 1 1   27   32    9 o  ?   ?   -8.0000   0.8902   0.0000   0.0000  -8.0000   0.8902  ?   ?   ?   ?  0.000000      ? 
1 1 1   27   32   10 o   12.516   2.9040   21.900   8.4168   0.0000   0.0000   21.900   8.4168  ?   ?    12.516   2.9040 0.000000 2.904008 
1 1 1   27   32   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   32   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   33    8 o   8.5369   2.7698   9.9000   6.3843   0.0000   0.0000   9.9000   6.3843  ?   ?    8.5369   2.7698 0.000000 2.769819 
1 1 1   27   33    9 o   4.2555   1.9251  -1.7000   4.1438   0.0000   0.0000  -1.7000   4.1438  ?   ?    4.2555   1.9251 0.000000 1.925085 
1 1 1   27   33   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   27   34    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0    0 o   30.042   3.2212  111.200   22.187  111.200   22.187  111.200   22.187   30.042   3.2212   30.042   3.2212 0.000000 0.000000 
1 1 1   28    0    1 o   4.0296   2.2365   2.6501   3.1360   2.6501   3.1360   2.6501   3.1360   4.0296   2.2365   4.0296   2.2365 0.000000 0.000000 
1 1 1   28    0    2 o   5.5052   2.2989   5.0786   2.9906   5.0786   2.9906   5.0786   2.9906   5.5052   2.2989   5.5052   2.2989 0.000000 0.000000 
1 1 1   28    0    3 o   50.569   2.9442  310.084   34.885  310.084   34.885  310.084   34.885   50.569   2.9442   50.569   2.9442 0.000000 0.000000 
1 1 1   28    0    4 o   5.5699   2.4224   5.2877   3.3003   5.2877   3.3003   5.2877   3.3003   5.5699   2.4224   5.5699   2.4224 0.000000 0.000000 
1 1 1   28    0    5 o   30.804   2.1505  114.699   15.468  114.699   15.468  114.699   15.468   30.804   2.1505   30.804   2.1505 0.000000 0.000000 
1 1 1   28    0    6 o   35.733   2.4750  154.791   20.653  154.791   20.653  154.791   20.653   35.733   2.4750   35.733   2.4750 0.000000 0.000000 
1 1 1   28    0    7 o   33.102   2.3357  132.764   18.048  132.764   18.048  132.764   18.048   33.102   2.3357   33.102   2.3357 0.000000 0.000000 
1 1 1   28    0    8 o   51.680   3.1341  325.479   37.924  325.479   37.924  325.479   37.924   51.680   3.1341   51.680   3.1341 0.000000 0.000000 
1 1 1   28    0    9 o   22.983   1.9985   64.315   10.657   64.315   10.657   64.315   10.657   22.983   1.9985   22.983   1.9985 0.000000 0.000000 
1 1 1   28    0   10 o   16.277   1.8972   32.783   7.0334   32.783   7.0334   32.783   7.0334   16.277   1.8972   16.277   1.8972 0.000000 0.000000 
1 1 1   28    0   11 o   4.9953   2.3069   4.3409   2.9972   4.3409   2.9972   4.3409   2.9972   4.9953   2.3069   4.9953   2.3069 0.000000 0.000000 
1 1 1   28    0   12 o   25.741   2.0873   80.593   12.495   80.593   12.495   80.593   12.495   25.741   2.0873   25.741   2.0873 0.000000 0.000000 
1 1 1   28    0   13 o   7.7847   2.2647   8.8231   3.6138   8.8231   3.6138   8.8231   3.6138   7.7847   2.2647   7.7847   2.2647 0.000000 0.000000 
1 1 1   28    0   14 o   19.814   1.9854   48.207   9.0754   48.207   9.0754   48.207   9.0754   19.814   1.9854   19.814   1.9854 0.000000 0.000000 
1 1 1   28    0   15 o   32.047   2.3421  125.013   17.506  125.013   17.506  125.013   17.506   32.047   2.3421   32.047   2.3421 0.000000 0.000000 
1 1 1   28    0   16 o   1.7355   1.2397  -3.4664   2.2956  -3.4664   2.2956  -3.4664   2.2956   1.7355   1.2397   1.7355   1.2397 0.000000 0.000000 
1 1 1   28    0   17 o   44.291   4.2280  250.500   43.294  250.500   43.294  250.500   43.294   44.291   4.2280   44.291   4.2280 0.000000 0.000000 
1 1 1   28    0   18 o   14.965   2.9828   30.000   9.3578   30.000   9.3578   30.000   9.3578   14.965   2.9828   14.965   2.9828 0.000000 0.000000 
1 1 1   28    0   19 o   8.2257   3.4450   11.600   6.7125   11.600   6.7125   11.600   6.7125   8.2257   3.4450   8.2257   3.4450 0.000000 0.000000 
1 1 1   28    0   20 f   24.840   3.0424   78.300   17.129   78.300   17.129   78.300   17.129   24.840   3.0424   24.840   3.0424 0.000000 0.000000 
1 1 1   28    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    0   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1    0 o   30.842   3.2498  118.200   23.067  118.200   23.067  118.200   23.067   30.842   3.2498   30.842   3.2498 0.000000 0.000000 
1 1 1   28    1    1 o   23.548   1.9315   66.845   10.646   67.300   15.137   66.400   14.974   23.370   2.7986   23.215   2.7873 0.1547985 3.949873 
1 1 1   28    1    2 o   6.9319   1.7711   5.9614   2.9098   4.1000   4.1277   7.8000   4.1024   6.2595   2.2237   7.9244   2.1415 -1.664820 3.087187 
1 1 1   28    1    3 o   41.371   2.6674  208.557   25.919  214.500   36.635  202.600   36.675   41.314   3.7977   40.061   3.9274 1.253326 5.463255 
1 1 1   28    1    4 o   9.3433   1.7995   10.783   3.8262   14.200   5.3482   7.2000   5.4762   10.677   2.1947   7.8398   2.5663 2.836849 3.376807 
1 1 1   28    1    5 o   33.686   2.3272  137.542   18.398  130.800   26.003  144.300   26.034   32.347   3.4578   34.085   3.2749 -1.737759 4.762461 
1 1 1   28    1    6 o   32.321   2.0794  126.049   15.786  154.800   22.484   98.100   22.168   35.582   2.6960   27.972   3.4279 7.610313 4.361126 
1 1 1   28    1    7 o   28.251   2.0667   96.432   13.691  104.100   19.450   88.900   19.277   29.060   2.8720   26.736   3.1115 2.323881 4.234385 
1 1 1   28    1    8 o   25.608   2.0040   79.243   12.021   83.600   17.014   74.900   16.988   26.025   2.8132   24.549   2.9924 1.476082 4.107123 
1 1 1   28    1    9 o   25.975   1.9879   81.538   12.100   65.900   17.078   97.300   17.146   22.887   3.2515   28.165   2.6076 -5.278448 4.167981 
1 1 1   28    1   10 o   11.699   1.7454   16.732   4.6742   13.900   6.7117   19.400   6.5134   10.477   2.6969   12.482   2.2945 -2.004071 3.540869 
1 1 1   28    1   11 o   37.322   2.5075  170.123   21.971  180.500   31.037  159.700   31.107   37.859   3.5117   35.424   3.7770 2.435772 5.157259 
1 1 1   28    1   12 o   20.755   1.8372   52.107   8.9115   45.700   12.561   58.600   12.645   19.096   2.8747   21.810   2.5005 -2.713373 3.810022 
1 1 1   28    1   13 f   34.814   2.4000  148.064   19.609  145.500   27.810  150.600   27.654   33.865   3.5296   34.518   3.4385 -0.6528282 4.927596 
1 1 1   28    1   14 o   13.822   1.7307   23.264   5.5250   19.700   7.8286   26.800   7.7985   12.440   2.7391   14.687   2.3260 -2.247166 3.593467 
1 1 1   28    1   15 o   22.118   1.8764   59.299   9.7078   64.400   13.799   54.300   13.660   22.791   2.6111   20.807   2.8555 1.983351 3.869317 
1 1 1   28    1   16 o   21.063   1.9177   53.932   9.4337   44.800   13.402   62.900   13.281   18.730   3.1415   22.529   2.5409 -3.799553 4.040451 
1 1 1   28    1   17 o   31.417   3.3064  125.700   24.162   0.0000   0.0000  125.700   24.162  ?   ?    31.417   3.3064 0.000000 3.306448 
1 1 1   28    1   18 o   12.546   2.5381   20.000   7.2609   0.0000   0.0000   20.000   7.2609  ?   ?    12.546   2.5381 0.000000 2.538093 
1 1 1   28    1   19 o   30.860   3.3037  122.000   23.700   0.0000   0.0000  122.000   23.700  ?   ?    30.860   3.3037 0.000000 3.303681 
1 1 1   28    1   20 o   11.461   2.5351   16.800   6.6789   0.0000   0.0000   16.800   6.6789  ?   ?    11.461   2.5351 0.000000 2.535142 
1 1 1   28    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    1   35 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2    0 o   4.3044   2.4045   3.0000   3.6509   3.0000   3.6509   3.0000   3.6509   4.3044   2.4045   4.3044   2.4045 0.000000 0.000000 
1 1 1   28    2    1 o   36.140   2.4340  158.454   20.651  159.900   29.165  157.000   29.245   35.808   3.4938   35.454   3.5405 0.3537636 4.974102 
1 1 1   28    2    2 o   14.877   1.6294   26.709   5.6303   15.400   7.8326   38.800   8.0988   11.039   2.9488   17.893   1.9482 -6.854065 3.534278 
1 1 1   28    2    3 o   42.392   2.7203  219.255   27.088  221.200   38.260  217.300   38.356   41.874   3.9148   41.466   3.9656 0.4074631 5.572397 
1 1 1   28    2    4 o   46.471   2.8599  264.297   31.231  295.300   44.242  233.500   44.095   48.414   3.9030   42.625   4.4463 5.789139 5.916380 
1 1 1   28    2    5 o   10.092   1.5180   12.401   3.5054   23.000   5.2894   4.1000   4.6809   13.784   1.6584   6.4452   2.3576 7.338615 2.882467 
1 1 1   28    2    6 o   13.001   1.7352   20.550   5.1939   21.600   7.3453   19.500   7.3453   13.163   2.4534   12.463   2.5809 0.7004108 3.560941 
1 1 1   28    2    7 o   13.112   1.7175   20.891   5.1897   16.800   7.3314   25.000   7.3473   11.523   2.7353   14.232   2.2619 -2.709231 3.549415 
1 1 1   28    2    8 o   39.946   2.5742  194.651   24.152  177.800   34.108  211.600   34.206   37.393   3.9211   41.069   3.5625 -3.675709 5.297805 
1 1 1   28    2    9 o   4.8593   1.6140   2.6773   2.1630   8.6000   3.0039  -3.7000   3.1171   8.3534   1.5808   3.2324   1.5311 5.120940 2.200716 
1 1 1   28    2   10 o   46.709   2.9502  269.065   32.372  259.300   45.815  278.800   45.747   44.717   4.3956   46.550   4.2073 -1.832733 6.084609 
1 1 1   28    2   11 o   9.3148   1.7588   10.726   3.7268   8.0000   5.1191   13.800   5.4363   8.0838   2.4610   10.491   2.2611 -2.406808 3.342054 
1 1 1   28    2   12 o   37.343   2.5278  170.653   22.159  154.500   31.389  186.700   31.286   34.700   3.8982   38.477   3.4811 -3.776821 5.226235 
1 1 1   28    2   13 o   10.956   1.7851   14.763   4.4591   13.400   6.3370   16.100   6.2757   10.276   2.6074   11.300   2.4245 -1.024432 3.560462 
1 1 1   28    2   14 o   17.992   1.7896   39.252   7.5025   40.600   10.604   37.900   10.616   18.065   2.5573   17.404   2.6682 0.6604843 3.695863 
1 1 1   28    2   15 o   30.534   2.2378  113.741   16.022  110.600   22.810  116.800   22.511   29.545   3.3273   30.460   3.1765 -0.9144325 4.600130 
1 1 1   28    2   16 o   27.196   2.0774   90.053   13.240   93.200   18.716   86.900   18.733   27.260   2.9549   26.248   3.0809 1.012163 4.268874 
1 1 1   28    2   17 o   4.5659   1.7338   1.8000   2.5781   0.0000   0.0000   1.8000   2.5781  ?   ?    4.5659   1.7338 0.000000 1.733761 
1 1 1   28    2   18 o   26.784   3.0354   90.800   18.859   0.0000   0.0000   90.800   18.859  ?   ?    26.784   3.0354 0.000000 3.035438 
1 1 1   28    2   19 o   18.881   2.6648   44.900   11.551   0.0000   0.0000   44.900   11.551  ?   ?    18.881   2.6648 0.000000 2.664788 
1 1 1   28    2   20 o   18.579   2.6878   43.600   11.449   0.0000   0.0000   43.600   11.449  ?   ?    18.579   2.6878 0.000000 2.687821 
1 1 1   28    2   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    2   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3    0 o   6.3706   2.8386   7.0000   4.5281   7.0000   4.5281   7.0000   4.5281   6.3706   2.8386   6.3706   2.8386 0.000000 0.000000 
1 1 1   28    3    1 o   43.882   2.7979  235.268   28.841  250.100   40.763  220.400   40.811   44.551   3.9145   41.599   4.2128 2.951763 5.750701 
1 1 1   28    3    2 o   43.254   2.4643  226.918   25.066  177.400   35.059  278.700   35.851   37.393   4.0344   47.520   3.2138 -10.12702 5.157995 
1 1 1   28    3    3 o   19.638   1.8416   46.542   8.4402   51.000   11.881   42.000   11.992   20.381   2.5226   18.365   2.8581 2.015646 3.812170 
1 1 1   28    3    4 o   32.608   2.2627  128.734   17.315  140.200   24.504  117.300   24.470   33.672   3.1171   30.624   3.4436 3.048218 4.644892 
1 1 1   28    3    5 f   38.022   2.4904  175.757   22.236  192.700   31.486  158.900   31.407   39.328   3.4246   35.468   3.8096 3.859547 5.122569 
1 1 1   28    3    6 o   38.539   2.4519  180.486   22.198  218.700   31.460  142.600   31.325   42.036   3.1933   33.420   4.0522 8.615925 5.159190 
1 1 1   28    3    7 o   31.652   2.1952  121.292   16.305  135.600   23.106  107.100   23.013   33.137   2.9850   29.230   3.3975 3.907259 4.522499 
1 1 1   28    3    8 o   20.470   1.8584   50.628   8.8851   58.900   12.544   42.300   12.586   21.912   2.4673   18.350   3.0091 3.562561 3.891328 
1 1 1   28    3    9 o   5.2735   1.7051   3.2322   2.4211   2.2000   3.2610   4.5000   3.6140   5.1069   1.9473   6.2693   2.0864 -1.162455 2.853976 
1 1 1   28    3   10 o   40.499   2.6283  200.734   25.000  208.200   35.393  193.300   35.317   40.534   3.7398   38.938   3.8933 1.596928 5.398505 
1 1 1   28    3   11 f   18.077   1.7864   39.544   7.5257   40.300   10.685   38.800   10.601   18.019   2.5852   17.663   2.6214 0.3563766 3.681683 
1 1 1   28    3   12 o   3.0735   1.2821   0.2221   1.5480  -1.9000   1.9439   3.9000   2.5592   2.6647   1.2454   5.6945   1.7414 -3.029881 2.140960 
1 1 1   28    3   13 o   29.647   2.1601  106.871   15.018   96.400   21.209  117.400   21.268   27.613   3.3193   30.696   2.9713 -3.083580 4.454929 
1 1 1   28    3   14 o   21.258   1.8693   54.775   9.2882   39.700   13.125   69.900   13.146   17.584   3.2817   23.862   2.3643 -6.278042 4.044633 
1 1 1   28    3   15 o   15.458   1.7244   29.027   6.1873   37.200   8.8755   21.300   8.6300   17.382   2.2126   12.890   2.9049 4.492047 3.651552 
1 1 1   28    3   16 o   27.074   2.1327   89.429   13.524   86.900   19.442   91.800   18.825   26.165   3.2144   27.018   3.0015 -0.8532162 4.397865 
1 1 1   28    3   17 o   46.186   4.4664  285.700   48.103   0.0000   0.0000  285.700   48.103  ?   ?    46.186   4.4664 0.000000 4.466382 
1 1 1   28    3   18 f   17.099   2.6170   36.800   10.231   0.0000   0.0000   36.800   10.231  ?   ?    17.099   2.6170 0.000000 2.616984 
1 1 1   28    3   19 o   15.436   2.5674   30.100   9.0294   0.0000   0.0000   30.100   9.0294  ?   ?    15.436   2.5674 0.000000 2.567359 
1 1 1   28    3   20 o   33.946   3.5973  149.900   28.396   0.0000   0.0000  149.900   28.396  ?   ?    33.946   3.5973 0.000000 3.597288 
1 1 1   28    3   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    3   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4    0 o   12.960   2.8891   22.800   7.7245   22.800   7.7245   22.800   7.7245   12.960   2.8891   12.960   2.8891 0.000000 0.000000 
1 1 1   28    4    1 o   48.494   3.0173  288.798   34.381  289.200   48.714  288.400   48.530   47.528   4.3902   47.471   4.3786 0.5670166E-01 6.200457 
1 1 1   28    4    2 o   39.659   2.5464  191.291   23.721  204.500   33.622  178.200   33.471   40.465   3.5547   37.595   3.8235 2.869953 5.220638 
1 1 1   28    4    3 o   4.3361   1.5649   1.8709   2.0524   3.2000   2.6842   0.0000   3.1847   5.3438   1.7982   4.2416   1.8076 1.102291 2.549697 
1 1 1   28    4    4 o   17.433   1.6907   36.634   6.8723   29.900   9.6044   43.700   9.8377   15.469   2.7291   18.918   2.2460 -3.449589 3.534528 
1 1 1   28    4    5 o   45.984   2.8877  259.292   31.197  250.800   44.099  267.800   44.139   44.267   4.2719   45.875   4.1185 -1.608307 5.933849 
1 1 1   28    4    6 o   56.478   3.4318  396.838   45.552  371.600   64.405  422.100   64.435   52.926   5.2214   56.854   4.8458 -3.927624 7.123583 
1 1 1   28    4    7 o   13.757   1.6913   22.952   5.3783   19.600   7.5003   26.500   7.7165   12.476   2.6288   14.646   2.3076 -2.169968 3.497967 
1 1 1   28    4    8 o   27.534   2.0686   91.729   13.351   79.700   18.865  103.800   18.897   25.209   3.2443   29.022   2.7920 -3.812395 4.280261 
1 1 1   28    4    9 o   37.948   2.4762  175.556   22.067  201.400   31.265  149.900   31.151   40.162   3.3267   34.250   3.9223 5.911518 5.143097 
1 1 1   28    4   10 o   14.701   1.7346   26.223   5.9053   25.600   8.5133   26.800   8.1984   14.288   2.6197   14.676   2.4521 -0.3878984 3.588313 
1 1 1   28    4   11 o   12.169   1.6668   18.040   4.6639   13.100   6.5890   23.000   6.6026   10.171   2.6988   13.657   2.1158 -3.486391 3.429330 
1 1 1   28    4   12 o   10.103   1.7683   12.586   4.0648   16.000   5.7189   9.1000   5.7786   11.314   2.2198   8.5914   2.6146 2.722813 3.429794 
1 1 1   28    4   13 o   29.565   2.1534  106.284   14.930   92.600   21.064  120.100   21.166   27.022   3.3747   31.073   2.9188 -4.051376 4.461866 
1 1 1   28    4   14 o   13.910   1.8112   23.627   5.8081   20.700   8.3276   26.400   8.1048   12.727   2.8427   14.534   2.4485 -1.807034 3.751778 
1 1 1   28    4   15 o   11.655   1.7468   16.662   4.6597   18.800   6.5717   14.500   6.6080   12.233   2.3605   10.666   2.6383 1.567114 3.540119 
1 1 1   28    4   16 o   21.340   1.9512   55.454   9.7237   48.100   13.901   62.500   13.607   19.400   3.1419   22.405   2.6214 -3.005640 4.091847 
1 1 1   28    4   17 o   18.056   2.6132   40.900   10.818   0.0000   0.0000   40.900   10.818  ?   ?    18.056   2.6132 0.000000 2.613205 
1 1 1   28    4   18 o   23.907   2.8852   72.100   15.959   0.0000   0.0000   72.100   15.959  ?   ?    23.907   2.8852 0.000000 2.885246 
1 1 1   28    4   19 o   13.367   2.5497   22.700   7.7540   0.0000   0.0000   22.700   7.7540  ?   ?    13.367   2.5497 0.000000 2.549690 
1 1 1   28    4   20 o   1.8574   0.9233  -3.9000   1.5745   0.0000   0.0000  -3.9000   1.5745  ?   ?    1.8574   0.9233 0.000000 0.9232852 
1 1 1   28    4   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    4   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5    0 o   37.828   3.6672  178.100   32.050  178.100   32.050  178.100   32.050   37.828   3.6672   37.828   3.6672 0.000000 0.000000 
1 1 1   28    5    1 o   23.530   1.9332   66.794   10.647   65.100   15.029   68.500   15.085   22.952   2.8331   23.577   2.7618 -0.6245823 3.956515 
1 1 1   28    5    2 o   7.0184   1.8246   6.1131   3.0520   2.5000   4.4963   9.2000   4.1560   5.7977   2.2663   8.5836   2.0737 -2.785874 3.071833 
1 1 1   28    5    3 f   30.059   2.1731  109.299   15.321  107.100   21.659  111.500   21.675   29.362   3.1744   29.997   3.1049 -0.6343498 4.440429 
1 1 1   28    5    4 o   5.9032   1.6982   4.2579   2.4944   3.2000   3.5410   5.3000   3.5144   5.6623   2.0537   6.6392   2.0424 -0.9769111 2.896400 
1 1 1   28    5    5 o   29.700   2.1164  106.645   14.746  128.700   20.904   84.800   20.804   32.387   2.7596   25.941   3.4843 6.445980 4.444791 
1 1 1   28    5    6 o   50.141   3.0117  309.551   35.493  360.500   50.294  259.000   50.097   53.283   4.0270   44.425   4.8545 8.857876 6.307352 
1 1 1   28    5    7 o   29.113   2.1609  102.690   14.750  118.800   20.833   86.500   20.885   31.032   2.8758   26.182   3.4630 4.849640 4.501370 
1 1 1   28    5    8 o   49.738   3.0969  306.001   36.193  307.800   51.164  304.200   51.205   48.686   4.5013   48.365   4.5365 0.3212891 6.390731 
1 1 1   28    5    9 o   30.027   2.1691  109.339   15.277  106.500   21.564  112.200   21.646   29.200   3.1788   30.018   3.0982 -0.8187122 4.438911 
1 1 1   28    5   10 o   21.861   1.8991   57.813   9.7060   58.800   13.639   56.800   13.816   21.784   2.7099   21.370   2.8057 0.4144440 3.900695 
1 1 1   28    5   11 o   23.191   1.9412   65.126   10.532   68.400   14.837   61.800   14.954   23.495   2.7248   22.242   2.9176 1.252569 3.992112 
1 1 1   28    5   12 o   29.743   2.1692  107.551   15.130  107.800   21.334  107.300   21.459   29.331   3.1286   29.247   3.1574 0.8421898E-01 4.444866 
1 1 1   28    5   13 o   6.2406   1.7369   4.8106   2.6536   4.4000   3.4563   5.4000   4.1414   6.1703   2.0397   6.7962   2.2321 -0.6259346 3.023719 
1 1 1   28    5   14 o   40.189   2.6316  198.807   24.836  204.200   35.264  193.500   34.985   39.883   3.7900   38.747   3.8757 1.135773 5.420760 
1 1 1   28    5   15 o   11.569   1.7374   16.417   4.5997   17.300   6.4443   15.500   6.5674   11.709   2.4111   11.038   2.5680 0.6708374 3.522455 
1 1 1   28    5   16 o   17.729   1.8579   38.297   7.6624   29.400   10.928   46.900   10.747   15.065   3.1723   19.456   2.3894 -4.390784 3.971473 
1 1 1   28    5   17 o   12.652   2.5150   20.300   7.2495   0.0000   0.0000   20.300   7.2495  ?   ?    12.652   2.5150 0.000000 2.515029 
1 1 1   28    5   18 o   28.426   3.1656  102.900   20.888   0.0000   0.0000  102.900   20.888  ?   ?    28.426   3.1656 0.000000 3.165600 
1 1 1   28    5   19 o   18.419   2.6685   42.800   11.268   0.0000   0.0000   42.800   11.268  ?   ?    18.419   2.6685 0.000000 2.668478 
1 1 1   28    5   20 o   4.8375   1.9450   1.4000   3.4018   0.0000   0.0000   1.4000   3.4018  ?   ?    4.8375   1.9450 0.000000 1.945033 
1 1 1   28    5   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    5   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6    0 o   27.215   3.0556   92.300   19.001   92.300   19.001   92.300   19.001   27.215   3.0556   27.215   3.0556 0.000000 0.000000 
1 1 1   28    6    1 o   12.563   1.6676   19.169   4.8250   24.800   6.9065   13.800   6.7434   14.213   2.1229   10.459   2.7089 3.754445 3.441602 
1 1 1   28    6    2 o   35.359   2.3917  151.795   19.853  163.200   28.082  140.400   28.069   36.220   3.3204   33.418   3.6146 2.801666 4.908190 
1 1 1   28    6    3 o   36.059   2.4458  158.073   20.702  147.000   29.308  169.100   29.247   34.148   3.6934   36.819   3.4025 -2.670700 5.021729 
1 1 1   28    6    4 o   15.196   1.6838   27.920   5.9406   24.700   8.3010   31.300   8.5052   14.056   2.5966   15.942   2.3279 -1.886179 3.487316 
1 1 1   28    6    5 o   28.447   2.1103   97.904   14.074   99.100   19.875   96.700   19.934   28.271   3.0241   27.900   3.0769 0.3712215 4.314172 
1 1 1   28    6    6 o   54.581   3.2432  369.382   41.612  333.500   58.712  405.600   58.986   50.228   5.0173   55.998   4.4988 -5.770813 6.738898 
1 1 1   28    6    7 o   18.206   1.7680   40.051   7.5050   41.100   10.609   39.000   10.619   18.234   2.5323   17.728   2.6151 0.5060749 3.640271 
1 1 1   28    6    8 o   15.613   1.6981   29.498   6.1598   27.200   8.6163   31.900   8.8094   14.759   2.5655   16.062   2.3960 -1.303099 3.510305 
1 1 1   28    6    9 o   8.8882   1.7456   9.7800   3.5330   11.400   5.0280   8.2000   4.9655   9.5248   2.2681   8.1520   2.4109 1.372815 3.310044 
1 1 1   28    6   10 o   6.4875   1.8478   5.1800   2.9673   8.7000   3.9652   0.7000   4.4734   8.3366   2.0326   5.2019   2.1755 3.134755 2.977290 
1 1 1   28    6   11 o   39.870   2.6244  195.070   24.570  208.600   34.722  181.500   34.773   40.524   3.6683   37.549   3.9825 2.975021 5.414495 
1 1 1   28    6   12 o   15.148   1.7459   27.877   6.1310   30.300   8.6230   25.400   8.7187   15.613   2.4170   14.182   2.7022 1.431245 3.625436 
1 1 1   28    6   13 o   11.530   1.7240   16.284   4.5497   15.700   6.3479   16.900   6.5241   11.139   2.4774   11.568   2.4639 -0.4283171 3.494028 
1 1 1   28    6   14 o   9.3901   1.6679   10.877   3.5628   9.4000   4.8548   12.600   5.2449   8.6428   2.3271   9.9951   2.2735 -1.352220 3.253330 
1 1 1   28    6   15 o   13.198   1.6679   21.225   5.0821   16.500   7.0622   26.300   7.3191   11.364   2.6761   14.567   2.1960 -3.203362 3.461749 
1 1 1   28    6   16 o   30.108   2.2698  111.092   16.018  105.800   22.972  116.100   22.347   28.704   3.4590   30.270   3.1737 -1.566099 4.694304 
1 1 1   28    6   17 o   13.228   2.5621   22.200   7.7138   0.0000   0.0000   22.200   7.7138  ?   ?    13.228   2.5621 0.000000 2.562140 
1 1 1   28    6   18 o   7.8123   2.3207   7.6000   4.5933   0.0000   0.0000   7.6000   4.5933  ?   ?    7.8123   2.3207 0.000000 2.320712 
1 1 1   28    6   19 o   31.270   3.3294  125.600   24.206   0.0000   0.0000  125.600   24.206  ?   ?    31.270   3.3294 0.000000 3.329433 
1 1 1   28    6   20 o   5.3596   2.0253   2.6000   3.5075   0.0000   0.0000   2.6000   3.5075  ?   ?    5.3596   2.0253 0.000000 2.025346 
1 1 1   28    6   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    6   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7    0 o   4.3154   2.3694   3.1000   3.4770   3.1000   3.4770   3.1000   3.4770   4.3154   2.3694   4.3154   2.3694 0.000000 0.000000 
1 1 1   28    7    1 o   49.349   3.0299  299.801   35.137  282.500   49.622  317.200   49.762   46.723   4.5555   49.783   4.2745 -3.060101 6.246903 
1 1 1   28    7    2 o   35.006   2.3392  148.697   19.225  140.100   27.105  157.400   27.272   33.433   3.4845   35.566   3.2844 -2.133137 4.788407 
1 1 1   28    7    3 o   14.510   1.6176   25.442   5.4483   37.400   7.7916   14.000   7.6215   17.561   1.9098   10.535   2.9477 7.025820 3.512312 
1 1 1   28    7    4 o   3.7462   1.4484   1.0757   1.8211   1.4000   2.4858   0.7000   2.6755   4.3376   1.6880   4.1558   1.7048 0.1818504 2.399126 
1 1 1   28    7    5 o   26.625   2.0811   85.813   12.980   97.100   18.306   74.400   18.408   28.063   2.7998   24.331   3.2881 3.731567 4.318639 
1 1 1   28    7    6 o   33.270   2.2741  134.353   17.759  124.400   25.056  144.400   25.174   31.469   3.4272   34.073   3.1650 -2.603670 4.665025 
1 1 1   28    7    7 o   15.022   1.7578   27.378   6.1173   33.700   8.5992   20.900   8.7041   16.558   2.2582   12.809   2.9399 3.748471 3.707110 
1 1 1   28    7    8 o   19.042   1.7874   43.823   7.9432   41.400   11.171   46.300   11.297   18.247   2.6718   19.362   2.5314 -1.115213 3.680531 
1 1 1   28    7    9 o   17.269   1.7633   36.100   7.0899   36.000   10.015   36.200   10.038   17.017   2.5727   17.065   2.5708 -0.4880142E-01 3.637010 
1 1 1   28    7   10 o   12.947   1.6560   20.379   4.9470   16.500   6.9340   24.400   7.0600   11.408   2.6282   14.049   2.2004 -2.640894 3.427702 
1 1 1   28    7   11 o   14.572   1.7218   25.798   5.8102   25.500   8.1895   26.100   8.2447   14.267   2.5231   14.443   2.5085 -0.1751385 3.557911 
1 1 1   28    7   12 o   23.833   1.9199   68.815   10.714   64.100   15.095   73.600   15.208   22.638   2.8898   24.366   2.6878 -1.728460 3.946597 
1 1 1   28    7   13 o   5.6484   1.7301   3.8396   2.5249   2.6000   3.5560   5.1000   3.5858   5.3998   2.0396   6.5368   2.0711 -1.136947 2.906808 
1 1 1   28    7   14 o   24.077   1.9781   70.429   11.147   78.900   15.737   61.900   15.791   25.206   2.6853   22.107   3.1109 3.098200 4.109610 
1 1 1   28    7   15 o   23.445   1.9676   66.884   10.792   58.300   15.293   75.400   15.232   21.404   3.1173   24.611   2.6635 -3.207203 4.100192 
1 1 1   28    7   16 o   21.536   1.9200   56.472   9.6615   59.100   14.187   54.200   13.194   21.660   2.8424   20.767   2.7588 0.8927402 3.961123 
1 1 1   28    7   17 o   44.871   4.3697  269.700   45.712   0.0000   0.0000  269.700   45.712  ?   ?    44.871   4.3697 0.000000 4.369657 
1 1 1   28    7   18 o   5.7477   2.0789   3.4000   3.6248   0.0000   0.0000   3.4000   3.6248  ?   ?    5.7477   2.0789 0.000000 2.078919 
1 1 1   28    7   19 o   17.011   2.5951   36.500   10.094   0.0000   0.0000   36.500   10.094  ?   ?    17.011   2.5951 0.000000 2.595113 
1 1 1   28    7   20 o   22.544   2.8607   64.400   14.886   0.0000   0.0000   64.400   14.886  ?   ?    22.544   2.8607 0.000000 2.860742 
1 1 1   28    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    7   34 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8    0 o   11.783   2.8390   19.200   6.8489   19.200   6.8489   19.200   6.8489   11.783   2.8390   11.783   2.8390 0.000000 0.000000 
1 1 1   28    8    1 o   17.820   1.7532   38.352   7.2817   39.200   10.289   37.500   10.307   17.814   2.5160   17.394   2.5883 0.4196415 3.609665 
1 1 1   28    8    2 o   16.881   1.7316   34.437   6.8050   30.600   9.6078   38.300   9.6397   15.646   2.6980   17.645   2.3737 -1.999092 3.593552 
1 1 1   28    8    3 o   28.969   2.0981  101.532   14.255   93.700   20.074  109.500   20.247   27.407   3.1596   29.764   2.9183 -2.356581 4.301105 
1 1 1   28    8    4 o   33.514   2.3534  136.557   18.506  147.300   26.103  125.700   26.240   34.373   3.2547   31.555   3.5852 2.818331 4.842234 
1 1 1   28    8    5 o   11.765   1.6557   16.860   4.4726   13.200   6.2122   20.800   6.4448   10.224   2.5747   12.966   2.1825 -2.742157 3.375232 
1 1 1   28    8    6 o   18.029   1.7803   39.304   7.4802   42.800   10.573   35.800   10.584   18.630   2.4638   16.926   2.7419 1.704340 3.686261 
1 1 1   28    8    7 o   31.883   2.2749  123.538   17.015  136.500   24.028  110.500   24.098   33.127   3.1080   29.566   3.5209 3.560808 4.696408 
1 1 1   28    8    8 o   3.9326   1.4503   1.4542   1.7764   3.3000   2.4477  -0.6000   2.5821   5.3189   1.7139   3.6113   1.5828 1.707575 2.332980 
1 1 1   28    8    9 o   21.578   1.8869   56.362   9.5181   59.400   13.435   53.300   13.486   21.904   2.6516   20.664   2.8389 1.239973 3.884571 
1 1 1   28    8   10 o   14.865   1.7362   26.840   5.9794   29.200   8.3866   24.400   8.5274   15.332   2.3947   13.900   2.6953 1.432549 3.605456 
1 1 1   28    8   11 o   21.162   1.8676   54.254   9.2372   49.100   13.068   59.400   13.058   19.780   2.8826   21.912   2.5727 -2.132280 3.863721 
1 1 1   28    8   12 o   3.1289   1.3330  -0.0092   1.7312  -1.0000   2.1759   1.7000   2.8578   3.1462   1.4116   4.6779   1.8128 -1.531674 2.297554 
1 1 1   28    8   13 o   10.235   1.7300   12.907   4.0321   13.000   5.5205   12.800   5.9032   10.141   2.3511   10.043   2.4992 0.9812164E-01 3.431322 
1 1 1   28    8   14 o   6.3116   1.7692   4.9277   2.7429   2.7000   4.0027   6.9000   3.7663   5.6283   2.1548   7.4375   2.0690 -1.809237 2.987289 
1 1 1   28    8   15 o   34.607   2.6163  148.250   21.223  125.900   30.549  169.100   29.506   30.686   4.3367   36.349   3.4801 -5.662500 5.560380 
1 1 1   28    8   16 o   13.974   2.5575   24.700   8.1280   0.0000   0.0000   24.700   8.1280  ?   ?    13.974   2.5575 0.000000 2.557466 
1 1 1   28    8   17 o   20.258   2.7371   51.700   12.758   0.0000   0.0000   51.700   12.758  ?   ?    20.258   2.7371 0.000000 2.737086 
1 1 1   28    8   18 o   29.749   3.2172  113.100   22.240   0.0000   0.0000  113.100   22.240  ?   ?    29.749   3.2172 0.000000 3.217191 
1 1 1   28    8   19 o   18.687   2.7815   44.300   11.900   0.0000   0.0000   44.300   11.900  ?   ?    18.687   2.7815 0.000000 2.781522 
1 1 1   28    8   20 o   4.0839   1.7192   0.3000   2.8231   0.0000   0.0000   0.3000   2.8231  ?   ?    4.0839   1.7192 0.000000 1.719245 
1 1 1   28    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    8   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9    0 o   9.6036   2.8738   13.600   5.6765   13.600   5.6765   13.600   5.6765   9.6036   2.8738   9.6036   2.8738 0.000000 0.000000 
1 1 1   28    9    1 o   64.452   3.8716  525.406   58.650  507.000   82.845  543.900   83.044   60.822   5.8400   63.338   5.6104 -2.516373 8.098328 
1 1 1   28    9    2 o   39.048   2.5631  186.150   23.502  173.000   33.237  199.300   33.237   36.873   3.8753   39.807   3.5740 -2.934135 5.271712 
1 1 1   28    9    3 o   26.554   2.0184   85.271   12.561   92.700   17.798   77.900   17.730   27.408   2.7889   24.988   3.0693 2.419640 4.147103 
1 1 1   28    9    4 o   15.887   1.7084   30.537   6.3084   25.100   8.9106   36.000   8.9323   14.107   2.7738   17.121   2.2649 -3.014331 3.581022 
1 1 1   28    9    5 o   27.198   2.0587   89.550   13.124   89.500   18.613   89.600   18.507   26.832   2.9884   26.856   2.9679 -0.2408791E-01 4.211770 
1 1 1   28    9    6 o   21.600   1.8808   56.418   9.4974   57.800   13.347   55.000   13.517   21.614   2.6720   21.034   2.7905 0.5805416 3.863417 
1 1 1   28    9    7 o   9.1143   1.7396   10.273   3.6073   15.300   5.0655   5.1000   5.1383   11.114   2.0039   6.9464   2.4796 4.167461 3.188085 
1 1 1   28    9    8 o   37.540   2.4732  172.177   21.801  160.100   30.739  184.400   30.925   35.451   3.7278   38.255   3.4608 -2.804226 5.086610 
1 1 1   28    9    9 o   7.9128   1.6233   7.7600   2.9313   4.9000   3.9670   11.200   4.3506   6.5359   2.1862   9.4692   2.0080 -2.933327 2.968392 
1 1 1   28    9   10 o   29.400   2.1257  105.001   14.658   96.600   20.670  113.500   20.789   27.696   3.2206   30.190   2.9541 -2.493107 4.370235 
1 1 1   28    9   11 o   31.189   2.2455  118.556   16.427  120.000   23.184  117.100   23.279   30.878   3.2273   30.464   3.2882 0.4142342 4.607335 
1 1 1   28    9   12 o   11.881   1.7125   17.271   4.6660   14.300   6.6225   20.200   6.5751   10.596   2.6528   12.721   2.2723 -2.124713 3.492935 
1 1 1   28    9   13 f   8.4559   1.7758   8.9091   3.4329   10.200   4.9363   7.7000   4.7773   8.9862   2.3127   7.8950   2.3716 1.091204 3.312581 
1 1 1   28    9   14 o   38.032   2.2903  176.921   20.472  124.900   28.768  230.300   29.141   30.806   4.0531   42.981   2.8880 -12.17520 4.976715 
1 1 1   28    9   15 o   19.609   1.8816   46.831   8.6057   42.500   12.288   51.000   12.056   18.275   2.9477   20.210   2.5855 -1.934938 3.920953 
1 1 1   28    9   16 o   14.164   2.5713   25.400   8.2834   0.0000   0.0000   25.400   8.2834  ?   ?    14.164   2.5713 0.000000 2.571336 
1 1 1   28    9   17 o   14.628   2.5784   27.100   8.5811   0.0000   0.0000   27.100   8.5811  ?   ?    14.628   2.5784 0.000000 2.578380 
1 1 1   28    9   18 o   9.5318   2.4638   11.600   5.5861   0.0000   0.0000   11.600   5.5861  ?   ?    9.5318   2.4638 0.000000 2.463848 
1 1 1   28    9   19 o   21.774   2.8246   60.000   14.181   0.0000   0.0000   60.000   14.181  ?   ?    21.774   2.8246 0.000000 2.824579 
1 1 1   28    9   20 o   18.158   2.7188   41.800   11.299   0.0000   0.0000   41.800   11.299  ?   ?    18.158   2.7188 0.000000 2.718817 
1 1 1   28    9   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28    9   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10    0 o   26.210   3.0228   85.900   18.062   85.900   18.062   85.900   18.062   26.210   3.0228   26.210   3.0228 0.000000 0.000000 
1 1 1   28   10    1 o   6.5164   1.6653   5.2710   2.5721   10.200   3.8244   1.2000   3.4756   9.0640   1.8494   4.8283   1.9573 4.235638 2.692875 
1 1 1   28   10    2 o   7.5883   1.7161   7.1603   3.0030   13.000   4.3200   1.7000   4.1773   10.261   1.8510   5.3697   2.1567 4.891424 2.842064 
1 1 1   28   10    3 o   49.174   3.0006  298.545   34.675  279.300   48.906  318.000   49.172   46.295   4.5318   49.714   4.2289 -3.418686 6.198457 
1 1 1   28   10    4 o   45.040   2.7545  248.999   29.155  286.000   41.317  212.300   41.147   47.566   3.7077   40.423   4.3808 7.142986 5.739192 
1 1 1   28   10    5 o   35.398   2.3933  152.689   19.887  157.300   28.159  148.100   28.090   35.377   3.4132   34.252   3.5233 1.125488 4.905484 
1 1 1   28   10    6 o   34.343   2.3170  143.547   18.680  152.900   26.493  134.300   26.343   34.959   3.2463   32.615   3.4739 2.343803 4.754625 
1 1 1   28   10    7 o   33.539   2.3258  137.057   18.307  146.200   25.880  127.900   25.899   34.157   3.2477   31.778   3.5100 2.379066 4.782025 
1 1 1   28   10    8 o   16.041   1.7531   31.212   6.5323   34.100   9.2185   28.300   9.2576   16.585   2.4256   14.990   2.7153 1.594419 3.640978 
1 1 1   28   10    9 o   29.047   2.1394  102.545   14.571  100.800   20.576  104.300   20.637   28.349   3.1255   28.869   3.0746 -0.5194664 4.384348 
1 1 1   28   10   10 o   45.922   2.9096  261.297   31.388  257.400   44.371  265.200   44.407   44.388   4.2865   45.129   4.2160 -0.7408791 6.012386 
1 1 1   28   10   11 o   3.5860   1.4021   0.9226   1.7213  -4.5000   2.2252   9.0000   2.7159   2.3634   1.1601   8.5792   1.3880 -6.215719 1.809009 
1 1 1   28   10   12 o   24.464   1.9778   72.707   11.328   73.800   15.969   71.600   16.072   24.298   2.8365   23.896   2.9083 0.4024277 4.062518 
1 1 1   28   10   13 o   27.294   2.0427   90.674   13.070   84.200   18.310   97.400   18.662   25.822   3.0627   27.897   2.8741 -2.075327 4.200032 
1 1 1   28   10   14 o   10.226   1.8000   12.951   4.1880   11.100   6.0080   14.700   5.8410   9.3529   2.6172   10.772   2.3614 -1.419398 3.525050 
1 1 1   28   10   15 o   29.795   3.2478  113.100   22.480   0.0000   0.0000  113.100   22.480  ?   ?    29.795   3.2478 0.000000 3.247846 
1 1 1   28   10   16 o   12.440   2.5446   19.700   7.2230   0.0000   0.0000   19.700   7.2230  ?   ?    12.440   2.5446 0.000000 2.544629 
1 1 1   28   10   17 o   27.422   3.0782   95.600   19.588   0.0000   0.0000   95.600   19.588  ?   ?    27.422   3.0782 0.000000 3.078212 
1 1 1   28   10   18 o   9.4877   2.4995   11.500   5.6780   0.0000   0.0000   11.500   5.6780  ?   ?    9.4877   2.4995 0.000000 2.499510 
1 1 1   28   10   19 o   18.608   2.6600   43.700   11.355   0.0000   0.0000   43.700   11.355  ?   ?    18.608   2.6600 0.000000 2.660043 
1 1 1   28   10   20 o   12.660   2.6586   20.600   7.6948   0.0000   0.0000   20.600   7.6948  ?   ?    12.660   2.6586 0.000000 2.658579 
1 1 1   28   10   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   10   33 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11    0 o   24.835   2.9600   77.300   16.708   77.300   16.708   77.300   16.708   24.835   2.9600   24.835   2.9600 0.000000 0.000000 
1 1 1   28   11    1 o   26.105   2.0100   82.484   12.295   73.200   17.373   91.800   17.403   24.168   3.1168   27.272   2.7394 -3.103842 4.149526 
1 1 1   28   11    2 o   47.759   2.9527  281.648   33.136  263.500   46.796  299.900   46.928   44.953   4.4677   48.277   4.1571 -3.324234 6.102569 
1 1 1   28   11    3 f   43.833   2.7989  236.393   28.819  238.800   40.817  234.000   40.695   43.123   4.0561   42.656   4.0903 0.4669418 5.760422 
1 1 1   28   11    4 o   32.521   2.2156  128.461   16.913  143.300   23.991  113.800   23.847   33.960   3.0234   30.024   3.4249 3.935846 4.568422 
1 1 1   28   11    5 o   4.1817   1.5217   1.7102   1.9463   2.8000   2.8062   0.7000   2.7018   5.1734   1.8339   4.1691   1.7121 1.004292 2.508904 
1 1 1   28   11    6 o   8.7315   1.7329   9.4502   3.4469   12.000   4.8283   6.8000   4.9223   9.7832   2.1488   7.5524   2.4302 2.230789 3.243929 
1 1 1   28   11    7 o   19.625   1.7931   46.600   8.2178   51.000   11.689   42.300   11.556   20.321   2.4878   18.393   2.7448 1.928854 3.704422 
1 1 1   28   11    8 o   8.9524   1.7123   9.9187   3.4879   12.600   4.9621   7.3000   4.9038   10.024   2.1601   7.7532   2.4172 2.270308 3.241743 
1 1 1   28   11    9 o   16.383   1.7369   32.549   6.6169   32.100   9.3520   33.000   9.3633   16.030   2.5565   16.270   2.5184 -0.2404041 3.588628 
1 1 1   28   11   10 o   5.8508   1.8085   4.1104   2.7518   6.8000   3.6571   0.6000   4.1781   7.3881   2.0325   5.0076   2.0990 2.380453 2.921789 
1 1 1   28   11   11 o   36.760   2.4881  165.947   21.470  152.300   30.359  179.600   30.367   34.341   3.8079   37.591   3.4599 -3.249065 5.145027 
1 1 1   28   11   12 o   13.896   1.6791   23.509   5.3980   20.400   7.4731   26.900   7.8055   12.680   2.5836   14.691   2.3276 -2.011545 3.477495 
1 1 1   28   11   13 o   32.597   2.3083  130.250   17.653  129.900   24.973  130.600   24.957   31.909   3.3650   32.005   3.3519 -0.9597778E-01 4.749591 
1 1 1   28   11   14 o   14.917   1.7413   27.130   6.0183   21.300   8.4964   33.000   8.5260   12.862   2.8703   16.305   2.2765 -3.443783 3.663483 
1 1 1   28   11   15 o   29.964   3.2329  114.500   22.512   0.0000   0.0000  114.500   22.512  ?   ?    29.964   3.2329 0.000000 3.232883 
1 1 1   28   11   16 o   29.398   3.2090  110.300   21.915   0.0000   0.0000  110.300   21.915  ?   ?    29.398   3.2090 0.000000 3.209025 
1 1 1   28   11   17 o   12.223   2.4788   19.000   6.9101   0.0000   0.0000   19.000   6.9101  ?   ?    12.223   2.4788 0.000000 2.478835 
1 1 1   28   11   18 o   23.861   2.8970   72.100   15.988   0.0000   0.0000   72.100   15.988  ?   ?    23.861   2.8970 0.000000 2.896978 
1 1 1   28   11   19 o   32.645   3.5016  138.400   26.571   0.0000   0.0000  138.400   26.571  ?   ?    32.645   3.5016 0.000000 3.501572 
1 1 1   28   11   20 o   13.033   2.6333   21.800   7.8255   0.0000   0.0000   21.800   7.8255  ?   ?    13.033   2.6333 0.000000 2.633346 
1 1 1   28   11   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   11   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12    0 o   68.469   6.1140  616.900   97.039  616.900   97.039  616.900   97.039   68.469   6.1140   68.469   6.1140 0.000000 0.000000 
1 1 1   28   12    1 o   37.692   2.5086  173.748   22.200  175.500   31.411  172.000   31.380   37.201   3.6217   36.799   3.6597 0.4018860 5.148818 
1 1 1   28   12    2 o   50.065   3.0751  311.141   36.178  289.200   51.095  333.200   51.233   46.793   4.6873   50.637   4.3262 -3.844761 6.378602 
1 1 1   28   12    3 o   30.840   2.1909  115.585   15.851  109.400   22.388  121.800   22.444   29.493   3.2698   31.238   3.0829 -1.745308 4.493955 
1 1 1   28   12    4 o   4.3136   1.5448   1.8916   1.9958   2.6000   2.8396   1.2000   2.8057   5.0876   1.8400   4.4367   1.7726 0.6509719 2.554952 
1 1 1   28   12    5 o   7.2491   1.7368   6.5500   2.9340   6.6000   4.1493   6.5000   4.1493   7.3439   2.2112   7.2977   2.2143 0.4617596E-01 3.129313 
1 1 1   28   12    6 o   5.9520   1.6724   4.3616   2.4480   6.4000   3.5432   2.5000   3.3861   7.1829   2.0099   5.2849   1.9917 1.898022 2.829571 
1 1 1   28   12    7 o   27.579   2.1036   92.426   13.597   95.100   19.136   89.700   19.322   27.593   2.9845   26.723   3.1208 0.8698540 4.318189 
1 1 1   28   12    8 o   40.283   2.5252  198.946   23.899  237.900   33.865  160.300   33.731   43.492   3.3226   35.057   4.1555 8.435322 5.320508 
1 1 1   28   12    9 o   41.610   2.7018  213.556   26.403  197.700   37.346  229.400   37.332   38.951   4.1231   42.291   3.7780 -3.340168 5.592227 
1 1 1   28   12   10 o   31.770   2.2635  123.311   16.870  115.500   23.875  131.100   23.840   30.108   3.4186   32.256   3.1708 -2.147976 4.662747 
1 1 1   28   12   11 o   14.533   1.6791   25.684   5.6562   20.600   7.9480   30.900   8.0510   12.701   2.7312   15.802   2.2188 -3.101171 3.518884 
1 1 1   28   12   12 o   43.024   2.7965  230.108   28.257  234.700   40.147  225.600   39.777   42.302   4.0694   41.416   4.1221 0.8862228 5.792362 
1 1 1   28   12   13 o   18.926   1.8636   43.624   8.2207   38.600   11.714   48.500   11.540   17.395   2.9576   19.721   2.5368 -2.326508 3.896535 
1 1 1   28   12   14 o   27.421   2.2219   92.250   14.263   83.100   20.586  100.700   19.782   25.306   3.5420   28.227   3.0144 -2.921358 4.651105 
1 1 1   28   12   15 o   16.575   2.5812   34.600   9.7737   0.0000   0.0000   34.600   9.7737  ?   ?    16.575   2.5812 0.000000 2.581187 
1 1 1   28   12   16 o   24.223   2.9321   74.300   16.430   0.0000   0.0000   74.300   16.430  ?   ?    24.223   2.9321 0.000000 2.932076 
1 1 1   28   12   17 o   26.335   3.0243   88.100   18.466   0.0000   0.0000   88.100   18.466  ?   ?    26.335   3.0243 0.000000 3.024293 
1 1 1   28   12   18 o   5.7833   2.1561   3.2000   3.9473   0.0000   0.0000   3.2000   3.9473  ?   ?    5.7833   2.1561 0.000000 2.156096 
1 1 1   28   12   19 o   35.863   3.7341  169.300   31.158   0.0000   0.0000  169.300   31.158  ?   ?    35.863   3.7341 0.000000 3.734053 
1 1 1   28   12   20 o   20.756   2.8232   54.900   13.478   0.0000   0.0000   54.900   13.478  ?   ?    20.756   2.8232 0.000000 2.823194 
1 1 1   28   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   12   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13    0 o   45.385   4.2248  260.300   44.375  260.300   44.375  260.300   44.375   45.385   4.2248   45.385   4.2248 0.000000 0.000000 
1 1 1   28   13    1 f   15.132   1.6942   27.766   5.9499   30.800   8.4629   24.800   8.3669   15.771   2.3437   14.039   2.6202 1.732053 3.515485 
1 1 1   28   13    2 o   45.343   2.8738  254.090   30.611  234.700   43.279  273.500   43.301   42.343   4.3924   46.093   4.0186 -3.749607 5.953287 
1 1 1   28   13    3 o   47.155   2.9774  275.702   32.983  258.400   46.648  293.000   46.642   44.302   4.5224   47.525   4.1994 -3.222511 6.171504 
1 1 1   28   13    4 o   8.5141   1.7545   9.0066   3.4101   9.3000   4.7706   8.7000   4.8764   8.6055   2.3025   8.3478   2.3657 0.2577362 3.301197 
1 1 1   28   13    5 o   17.955   1.7741   39.058   7.4234   36.400   10.514   41.700   10.483   17.045   2.7024   18.344   2.4840 -1.299091 3.670562 
1 1 1   28   13    6 o   31.258   2.1600  118.797   15.846  141.400   22.461   96.400   22.358   33.769   2.8431   27.483   3.5264 6.285877 4.529778 
1 1 1   28   13    7 o   26.200   2.0248   83.346   12.429   84.900   17.600   81.800   17.556   26.073   2.9083   25.561   2.9636 0.5119324 4.152246 
1 1 1   28   13    8 o   24.954   1.9999   75.651   11.685   75.300   16.559   76.000   16.493   24.517   2.9174   24.646   2.8887 -0.1288338 4.105600 
1 1 1   28   13    9 f   20.696   1.8582   51.998   8.9845   49.800   12.701   54.200   12.711   19.922   2.7752   20.853   2.6406 -0.9309139 3.830756 
1 1 1   28   13   10 o   13.347   1.6752   21.709   5.1632   28.200   7.3542   15.400   7.2505   15.114   2.1189   10.956   2.7939 4.157610 3.506476 
1 1 1   28   13   11 o   29.631   2.1694  107.246   15.074   96.100   21.314  118.400   21.322   27.412   3.3634   30.703   2.9783 -3.291290 4.492530 
1 1 1   28   13   12 o   5.5500   1.7301   3.6881   2.5124   5.7000   3.7196   2.0000   3.4072   6.8389   2.1008   5.0789   1.9763 1.759983 2.884236 
1 1 1   28   13   13 o   39.092   2.6769  189.799   24.562  154.100   34.809  225.200   34.663   33.766   4.4759   41.845   3.5413 -8.079262 5.707421 
1 1 1   28   13   14 o   12.593   2.4678   20.100   7.0759   0.0000   0.0000   20.100   7.0759  ?   ?    12.593   2.4678 0.000000 2.467781 
1 1 1   28   13   15 o   18.231   2.6651   41.900   11.135   0.0000   0.0000   41.900   11.135  ?   ?    18.231   2.6651 0.000000 2.665060 
1 1 1   28   13   16 o   36.893   3.7421  177.800   32.150   0.0000   0.0000  177.800   32.150  ?   ?    36.893   3.7421 0.000000 3.742108 
1 1 1   28   13   17 o   7.2617   2.3051   6.4000   4.4402   0.0000   0.0000   6.4000   4.4402  ?   ?    7.2617   2.3051 0.000000 2.305127 
1 1 1   28   13   18 o   15.682   2.6669   31.300   9.5221   0.0000   0.0000   31.300   9.5221  ?   ?    15.682   2.6669 0.000000 2.666896 
1 1 1   28   13   19 o   24.800   2.9932   78.600   17.174   0.0000   0.0000   78.600   17.174  ?   ?    24.800   2.9932 0.000000 2.993182 
1 1 1   28   13   20 o   13.757   2.6454   24.300   8.2816   0.0000   0.0000   24.300   8.2816  ?   ?    13.757   2.6454 0.000000 2.645418 
1 1 1   28   13   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   13   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14    0 o   18.753   2.7687   44.900   11.476   44.900   11.476   44.900   11.476   18.753   2.7687   18.753   2.7687 0.000000 0.000000 
1 1 1   28   14    1 o   28.125   2.1021   96.097   13.860   92.300   19.593   99.900   19.608   27.113   3.1170   28.289   2.9802 -1.175716 4.312488 
1 1 1   28   14    2 o   11.456   1.6959   16.058   4.4490   13.800   6.1717   18.500   6.4193   10.432   2.5312   12.155   2.3212 -1.723045 3.434393 
1 1 1   28   14    3 o   14.497   1.7331   25.557   5.8152   24.200   8.2456   26.900   8.2024   13.856   2.6161   14.677   2.4532 -0.8217840 3.586402 
1 1 1   28   14    4 o   35.955   2.4456  158.301   20.641  159.300   29.175  157.300   29.205   35.394   3.5381   35.149   3.5682 0.2458191 5.024995 
1 1 1   28   14    5 o   27.479   2.1019   91.832   13.535  106.800   19.121   76.800   19.162   29.330   2.7947   24.542   3.3976 4.787748 4.399326 
1 1 1   28   14    6 o   36.154   2.3613  159.872   20.048  197.900   28.400  122.100   28.305   39.798   3.0452   30.587   4.0159 9.210505 5.039925 
1 1 1   28   14    7 o   2.5604   1.1520  -0.7251   1.4606  -0.2000   2.1194  -1.2000   2.0157   3.3819   1.4585   2.9381   1.3345 0.4437563 1.976880 
1 1 1   28   14    8 o   16.914   1.7528   34.749   6.8990   34.200   9.7510   35.300   9.7623   16.516   2.5851   16.801   2.5400 -0.2849712 3.624144 
1 1 1   28   14    9 o   17.838   1.7971   38.680   7.4665   29.600   10.577   47.700   10.542   15.165   3.0591   19.655   2.3158 -4.490195 3.836810 
1 1 1   28   14   10 o   15.718   1.7324   30.056   6.3230   25.200   8.9480   34.900   8.9361   14.049   2.7956   16.769   2.3187 -2.720455 3.632080 
1 1 1   28   14   11 o   34.602   2.2965  146.770   18.658  164.700   26.597  129.400   26.179   36.093   3.1524   31.679   3.5615 4.414223 4.756198 
1 1 1   28   14   12 o   18.466   1.8558   41.565   7.9827   37.100   11.442   45.800   11.143   17.035   2.9512   19.149   2.5258 -2.114002 3.884515 
1 1 1   28   14   13 o   28.954   3.1489  106.600   21.182   0.0000   0.0000  106.600   21.182  ?   ?    28.954   3.1489 0.000000 3.148891 
1 1 1   28   14   14 o   22.065   2.7694   61.300   14.111   0.0000   0.0000   61.300   14.111  ?   ?    22.065   2.7694 0.000000 2.769351 
1 1 1   28   14   15 o   9.5363   2.4417   11.600   5.5221   0.0000   0.0000   11.600   5.5221  ?   ?    9.5363   2.4417 0.000000 2.441683 
1 1 1   28   14   16 f   8.5732   2.4072   9.3000   5.0732   0.0000   0.0000   9.3000   5.0732  ?   ?    8.5732   2.4072 0.000000 2.407161 
1 1 1   28   14   17 o   24.162   2.9062   74.100   16.249   0.0000   0.0000   74.100   16.249  ?   ?    24.162   2.9062 0.000000 2.906177 
1 1 1   28   14   18 o   8.9682   2.6835   10.200   6.1252   0.0000   0.0000   10.200   6.1252  ?   ?    8.9682   2.6835 0.000000 2.683515 
1 1 1   28   14   19 o   17.472   2.7564   39.000   10.995   0.0000   0.0000   39.000   10.995  ?   ?    17.472   2.7564 0.000000 2.756390 
1 1 1   28   14   20 o   4.6593   1.9514   0.6000   3.6066   0.0000   0.0000   0.6000   3.6066  ?   ?    4.6593   1.9514 0.000000 1.951396 
1 1 1   28   14   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   14   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15    0 o   22.247   2.8580   62.500   14.334   62.500   14.334   62.500   14.334   22.247   2.8580   22.247   2.8580 0.000000 0.000000 
1 1 1   28   15    1 o   28.708   2.0433  100.072   13.761  126.600   19.508   73.800   19.414   32.043   2.6007   23.964   3.5371 8.078798 4.390339 
1 1 1   28   15    2 o   39.028   2.4969  186.921   22.890  226.700   32.424  147.400   32.319   42.445   3.2600   33.523   4.1730 8.921368 5.295411 
1 1 1   28   15    3 o   13.115   1.7178   20.988   5.1923   22.200   7.2333   19.700   7.4579   13.310   2.3892   12.458   2.6184 0.8528061 3.544579 
1 1 1   28   15    4 o   13.694   1.7137   22.853   5.4201   22.600   7.7083   23.100   7.6228   13.387   2.5312   13.556   2.4725 -0.1687164 3.538365 
1 1 1   28   15    5 o   27.532   2.0866   92.299   13.465   92.200   18.991   92.400   19.093   27.078   3.0216   27.100   3.0357 -0.2221489E-01 4.283180 
1 1 1   28   15    6 o   30.460   2.1852  113.232   15.613  108.700   22.038  117.800   22.123   29.283   3.2415   30.578   3.1071 -1.295019 4.490119 
1 1 1   28   15    7 o   24.538   1.9858   73.248   11.408   69.300   16.128   77.200   16.138   23.439   2.9814   24.846   2.7994 -1.406445 4.089639 
1 1 1   28   15    8 o   11.384   1.7061   15.903   4.4451   16.100   6.2461   15.700   6.3272   11.273   2.4188   11.117   2.4740 0.1562471 3.459946 
1 1 1   28   15    9 o   47.671   3.0310  284.949   33.943  288.000   48.010  281.900   47.994   46.433   4.4325   45.870   4.4884 0.5629692 6.308134 
1 1 1   28   15   10 o   7.8869   1.8381   7.7976   3.3599   9.0000   4.9895   6.8000   4.5448   8.4554   2.3918   7.4638   2.3270 0.9915748 3.337049 
1 1 1   28   15   11 o   8.2447   1.9649   8.5511   3.7711   0.8000   5.5959   15.000   5.1043   5.7520   2.4210   10.955   2.0485 -5.202928 3.171331 
1 1 1   28   15   12 o   24.244   1.9565   71.619   11.106   76.000   16.055   67.600   15.378   24.586   2.8163   23.142   2.8761 1.443714 4.025346 
1 1 1   28   15   13 o   20.295   2.6950   51.800   12.596   0.0000   0.0000   51.800   12.596  ?   ?    20.295   2.6950 0.000000 2.694973 
1 1 1   28   15   14 o   11.896   2.4721   18.000   6.7179   0.0000   0.0000   18.000   6.7179  ?   ?    11.896   2.4721 0.000000 2.472134 
1 1 1   28   15   15 o   7.4140   2.2343   6.8000   4.2351   0.0000   0.0000   6.8000   4.2351  ?   ?    7.4140   2.2343 0.000000 2.234292 
1 1 1   28   15   16 o   16.430   2.6316   34.200   9.8651   0.0000   0.0000   34.200   9.8651  ?   ?    16.430   2.6316 0.000000 2.631635 
1 1 1   28   15   17 o   7.9668   2.4413   7.9000   5.0266   0.0000   0.0000   7.9000   5.0266  ?   ?    7.9668   2.4413 0.000000 2.441257 
1 1 1   28   15   18 o   28.976   3.2354  108.400   21.760   0.0000   0.0000  108.400   21.760  ?   ?    28.976   3.2354 0.000000 3.235410 
1 1 1   28   15   19 o   7.0967   2.4060   5.9000   4.8054   0.0000   0.0000   5.9000   4.8054  ?   ?    7.0967   2.4060 0.000000 2.405979 
1 1 1   28   15   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   15   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16    0 o   27.528   3.0888   95.200   19.429   95.200   19.429   95.200   19.429   27.528   3.0888   27.528   3.0888 0.000000 0.000000 
1 1 1   28   16    1 o   11.248   1.7561   15.554   4.5118   17.800   6.2440   13.100   6.5267   11.904   2.3047   10.135   2.6845 1.768700 3.538054 
1 1 1   28   16    2 o   19.442   1.8214   45.895   8.2648   43.200   11.677   48.600   11.699   18.537   2.7512   19.754   2.5688 -1.217133 3.763983 
1 1 1   28   16    3 o   33.977   2.3268  141.363   18.556  150.200   26.297  132.600   26.187   34.441   3.2728   32.190   3.5016 2.251045 4.792913 
1 1 1   28   16    4 o   20.085   1.8218   48.967   8.5466   43.500   12.051   54.500   12.123   18.562   2.8397   20.958   2.4989 -2.396210 3.782617 
1 1 1   28   16    5 o   8.1941   1.7194   8.3631   3.2208   6.4000   4.4613   10.500   4.6546   7.2838   2.3104   9.1200   2.1891 -1.836239 3.182826 
1 1 1   28   16    6 o   30.855   2.2215  116.400   16.077  134.700   22.737   98.100   22.737   32.776   2.9700   27.574   3.5762 5.201912 4.648672 
1 1 1   28   16    7 o   28.541   2.1318   99.455   14.263   98.700   20.240  100.200   20.104   27.919   3.1236   28.162   3.0730 -0.2431602 4.381802 
1 1 1   28   16    8 o   32.998   2.3111  133.587   17.894  132.000   25.204  135.200   25.410   32.136   3.3715   32.538   3.3553 -0.4016609 4.756625 
1 1 1   28   16    9 o   17.242   1.7127   36.107   6.8808   43.600   9.9730   29.300   9.5057   18.768   2.2984   15.176   2.7540 3.592332 3.587094 
1 1 1   28   16   10 o   9.2347   1.6281   10.534   3.4205   17.300   5.1518   5.2000   4.5743   11.823   1.9106   6.7951   2.3463 5.027404 3.025751 
1 1 1   28   16   11 o   8.2047   1.6863   8.3848   3.1580   20.400   5.3610   2.0000   3.9080   12.885   1.8120   5.3184   2.1024 7.566476 2.775514 
1 1 1   28   16   12 o   23.523   2.8558   69.800   15.538   0.0000   0.0000   69.800   15.538  ?   ?    23.523   2.8558 0.000000 2.855839 
1 1 1   28   16   13 o   20.037   2.6855   50.500   12.386   0.0000   0.0000   50.500   12.386  ?   ?    20.037   2.6855 0.000000 2.685499 
1 1 1   28   16   14 f   5.7021   2.0122   3.5000   3.3747   0.0000   0.0000   3.5000   3.3747  ?   ?    5.7021   2.0122 0.000000 2.012239 
1 1 1   28   16   15 o   17.465   2.6003   38.500   10.397   0.0000   0.0000   38.500   10.397  ?   ?    17.465   2.6003 0.000000 2.600258 
1 1 1   28   16   16 o   20.984   2.8057   55.900   13.555   0.0000   0.0000   55.900   13.555  ?   ?    20.984   2.8057 0.000000 2.805684 
1 1 1   28   16   17 o   4.5149   1.8844   0.6000   3.3469   0.0000   0.0000   0.6000   3.3469  ?   ?    4.5149   1.8844 0.000000 1.884417 
1 1 1   28   16   18 o   41.472   4.2779  235.600   41.292   0.0000   0.0000  235.600   41.292  ?   ?    41.472   4.2779 0.000000 4.277894 
1 1 1   28   16   19 f   9.7339   2.6122   12.300   6.1295   0.0000   0.0000   12.300   6.1295  ?   ?    9.7339   2.6122 0.000000 2.612231 
1 1 1   28   16   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   16   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17    0 o   40.900   3.9325  212.000   37.174  212.000   37.174  212.000   37.174   40.900   3.9325   40.900   3.9325 0.000000 0.000000 
1 1 1   28   17    1 o   5.8582   1.7577   4.1751   2.6253   5.8000   3.8058   2.7000   3.6261   6.9038   2.1257   5.4637   2.0606 1.440037 2.960508 
1 1 1   28   17    2 o   22.338   1.9117   60.663   9.9867   64.600   14.100   56.700   14.147   22.754   2.6754   21.200   2.9021 1.553993 3.947138 
1 1 1   28   17    3 o   28.918   2.0952  101.943   14.210  114.900   20.141   89.100   20.052   30.320   2.8465   26.429   3.2838 3.890495 4.345772 
1 1 1   28   17    4 o   18.361   1.8049   40.989   7.7243   43.900   10.852   38.000   10.997   18.765   2.5120   17.335   2.7806 1.429911 3.747303 
1 1 1   28   17    5 o   41.203   2.6441  210.176   25.590  229.400   36.260  191.100   36.121   42.165   3.6786   38.100   4.0782 4.065235 5.492131 
1 1 1   28   17    6 o   8.4679   1.7095   8.9227   3.3004   7.4000   4.5587   10.600   4.7844   7.7293   2.3156   9.1516   2.2336 -1.422265 3.217260 
1 1 1   28   17    7 o   20.801   1.8509   52.617   8.9963   57.700   12.765   47.600   12.681   21.516   2.5629   19.394   2.8543 2.121742 3.836020 
1 1 1   28   17    8 o   16.178   1.7574   31.879   6.6057   33.700   9.5368   30.200   9.1584   16.377   2.5489   15.468   2.5997 0.9097996 3.640787 
1 1 1   28   17    9 o   31.509   2.2029  121.557   16.287  131.900   23.197  111.500   22.874   32.296   3.0790   29.501   3.3425 2.794456 4.544503 
1 1 1   28   17   10 o   7.3952   1.8865   6.8623   3.3049   7.2000   4.9988   6.6000   4.4049   7.6944   2.4462   7.3516   2.2908 0.3428059 3.351324 
1 1 1   28   17   11 o   22.768   2.8109   65.300   14.791   0.0000   0.0000   65.300   14.791  ?   ?    22.768   2.8109 0.000000 2.810859 
1 1 1   28   17   12 o   5.0854   1.8771   2.5000   2.9770   0.0000   0.0000   2.5000   2.9770  ?   ?    5.0854   1.8771 0.000000 1.877059 
1 1 1   28   17   13 o   17.948   2.6204   40.600   10.779   0.0000   0.0000   40.600   10.779  ?   ?    17.948   2.6204 0.000000 2.620435 
1 1 1   28   17   14 o   25.881   2.9902   85.200   17.938   0.0000   0.0000   85.200   17.938  ?   ?    25.881   2.9902 0.000000 2.990169 
1 1 1   28   17   15 o   35.527   3.6511  165.400   30.194   0.0000   0.0000  165.400   30.194  ?   ?    35.527   3.6511 0.000000 3.651095 
1 1 1   28   17   16 o   21.693   2.7720   59.700   13.875   0.0000   0.0000   59.700   13.875  ?   ?    21.693   2.7720 0.000000 2.771972 
1 1 1   28   17   17 o   21.213   2.8370   57.500   13.855   0.0000   0.0000   57.500   13.855  ?   ?    21.213   2.8370 0.000000 2.837036 
1 1 1   28   17   18 o   20.466   2.8865   54.000   13.563   0.0000   0.0000   54.000   13.563  ?   ?    20.466   2.8865 0.000000 2.886507 
1 1 1   28   17   19 o   12.960   2.7561   22.000   8.1751   0.0000   0.0000   22.000   8.1751  ?   ?    12.960   2.7561 0.000000 2.756103 
1 1 1   28   17   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   17   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18    0 o   23.072   2.9235   67.400   15.231   67.400   15.231   67.400   15.231   23.072   2.9235   23.072   2.9235 0.000000 0.000000 
1 1 1   28   18    1 o   31.682   2.2090  122.777   16.423  145.100   23.263  100.600   23.187   34.025   2.9238   27.870   3.6080 6.154726 4.643967 
1 1 1   28   18    2 o   27.927   2.1008   95.197   13.752   96.000   19.486   94.400   19.412   27.562   3.0448   27.320   3.0617 0.2423229 4.317938 
1 1 1   28   18    3 f   26.737   2.0499   87.171   12.843   91.600   18.223   82.800   18.104   26.993   2.9047   25.567   3.0594 1.425900 4.218650 
1 1 1   28   18    4 o   25.617   2.0288   80.015   12.172   85.000   17.188   75.000   17.239   26.024   2.8434   24.310   3.0717 1.713400 4.185670 
1 1 1   28   18    5 o   13.337   1.7080   21.731   5.2557   28.200   7.4729   15.400   7.3932   15.087   2.1592   10.933   2.8386 4.153934 3.566480 
1 1 1   28   18    6 o   4.6537   1.6303   2.3156   2.2125   8.5000   3.3247  -2.6000   2.9641   8.2502   1.7602   3.3443   1.5546 4.905873 2.348455 
1 1 1   28   18    7 o   10.460   1.7780   13.532   4.2343   14.400   6.0511   12.700   5.9271   10.631   2.4593   9.9738   2.5167 0.6572571 3.518781 
1 1 1   28   18    8 o   19.105   1.8774   44.505   8.3599   40.100   11.969   48.700   11.681   17.714   2.9662   19.734   2.5676 -2.019590 3.923159 
1 1 1   28   18    9 o   38.469   2.5416  183.037   22.957  199.600   32.529  166.600   32.405   39.366   3.5370   35.614   3.9181 3.752579 5.278473 
1 1 1   28   18   10 o   22.663   2.8064   64.700   14.697   0.0000   0.0000   64.700   14.697  ?   ?    22.663   2.8064 0.000000 2.806355 
1 1 1   28   18   11 o   10.838   2.4821   15.000   6.2157   0.0000   0.0000   15.000   6.2157  ?   ?    10.838   2.4821 0.000000 2.482124 
1 1 1   28   18   12 o   17.983   2.6850   40.900   11.052   0.0000   0.0000   40.900   11.052  ?   ?    17.983   2.6850 0.000000 2.685013 
1 1 1   28   18   13 o   14.672   2.5499   27.300   8.5140   0.0000   0.0000   27.300   8.5140  ?   ?    14.672   2.5499 0.000000 2.549945 
1 1 1   28   18   14 o   12.803   2.5090   20.900   7.3140   0.0000   0.0000   20.900   7.3140  ?   ?    12.803   2.5090 0.000000 2.509027 
1 1 1   28   18   15 o   25.450   2.9759   82.700   17.547   0.0000   0.0000   82.700   17.547  ?   ?    25.450   2.9759 0.000000 2.975905 
1 1 1   28   18   16 o   4.5983   1.8454   1.3000   3.0560   0.0000   0.0000   1.3000   3.0560  ?   ?    4.5983   1.8454 0.000000 1.845411 
1 1 1   28   18   17 o   5.8884   2.3568   2.4000   4.9699   0.0000   0.0000   2.4000   4.9699  ?   ?    5.8884   2.3568 0.000000 2.356835 
1 1 1   28   18   18 f   18.733   2.8006   45.400   12.008   0.0000   0.0000   45.400   12.008  ?   ?    18.733   2.8006 0.000000 2.800631 
1 1 1   28   18   19 o   18.721   2.8416   45.800   12.167   0.0000   0.0000   45.800   12.167  ?   ?    18.721   2.8416 0.000000 2.841571 
1 1 1   28   18   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   18   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19    0 o   5.7362   2.6891   5.8000   4.0805   5.8000   4.0805   5.8000   4.0805   5.7362   2.6891   5.7362   2.6891 0.000000 0.000000 
1 1 1   28   19    1 o   9.9128   1.7777   12.181   4.0083   7.9000   5.6891   16.400   5.6484   8.0792   2.6140   11.435   2.1711 -3.356233 3.398047 
1 1 1   28   19    2 o   6.4758   1.7530   5.2198   2.7463   8.0000   3.9830   2.7000   3.7918   7.9726   2.0901   5.5311   2.1021 2.441513 2.964327 
1 1 1   28   19    3 o   12.402   1.7290   18.853   4.9259   19.000   6.9009   18.700   7.0335   12.241   2.4726   12.123   2.5384 0.1180038 3.543603 
1 1 1   28   19    4 o   21.648   1.8498   56.968   9.3650   46.200   13.195   67.900   13.294   19.013   3.0415   23.411   2.4407 -4.398272 3.899696 
1 1 1   28   19    5 o   39.756   2.6680  196.205   24.901  183.800   35.295  208.500   35.138   37.299   4.0735   40.052   3.7592 -2.753258 5.543027 
1 1 1   28   19    6 o   7.4044   1.9012   6.8775   3.3412   3.9000   5.1108   9.1000   4.4155   6.4759   2.4454   8.4863   2.1891 -2.010346 3.282049 
1 1 1   28   19    7 o   7.2297   1.8490   6.5509   3.1691   7.6000   4.5961   5.6000   4.3756   7.8162   2.3213   6.9126   2.2955 0.9036407 3.264637 
1 1 1   28   19    8 o   17.229   1.7488   36.118   7.0163   41.900   10.040   30.600   9.8089   18.356   2.3718   15.494   2.7833 2.862148 3.656832 
1 1 1   28   19    9 o   13.153   1.7544   21.206   5.3132   25.000   7.9189   18.100   7.1654   14.073   2.4733   11.887   2.6230 2.185570 3.605184 
1 1 1   28   19   10 o   21.345   2.7633   57.500   13.601   0.0000   0.0000   57.500   13.601  ?   ?    21.345   2.7633 0.000000 2.763348 
1 1 1   28   19   11 o   23.896   2.8681   72.300   15.860   0.0000   0.0000   72.300   15.860  ?   ?    23.896   2.8681 0.000000 2.868103 
1 1 1   28   19   12 o   15.574   2.5510   30.700   9.0567   0.0000   0.0000   30.700   9.0567  ?   ?    15.574   2.5510 0.000000 2.550967 
1 1 1   28   19   13 o   8.8574   2.3554  10.0000   5.0119   0.0000   0.0000  10.0000   5.0119  ?   ?    8.8574   2.3554 0.000000 2.355426 
1 1 1   28   19   14 o   21.097   2.7503   56.500   13.375   0.0000   0.0000   56.500   13.375  ?   ?    21.097   2.7503 0.000000 2.750304 
1 1 1   28   19   15 o   15.251   2.5801   29.700   8.9603   0.0000   0.0000   29.700   8.9603  ?   ?    15.251   2.5801 0.000000 2.580052 
1 1 1   28   19   16 f   31.340   3.4540  129.800   25.137   0.0000   0.0000  129.800   25.137  ?   ?    31.340   3.4540 0.000000 3.454025 
1 1 1   28   19   17 o   14.982   2.7913   29.300   9.5120   0.0000   0.0000   29.300   9.5120  ?   ?    14.982   2.7913 0.000000 2.791326 
1 1 1   28   19   18 o   5.0655   2.0996   1.1000   4.1139   0.0000   0.0000   1.1000   4.1139  ?   ?    5.0655   2.0996 0.000000 2.099577 
1 1 1   28   19   19 o   16.724   2.8269   37.000   10.766   0.0000   0.0000   37.000   10.766  ?   ?    16.724   2.8269 0.000000 2.826933 
1 1 1   28   19   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   19   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20    0 f   10.194   3.0318   15.400   6.3512   15.400   6.3512   15.400   6.3512   10.194   3.0318   10.194   3.0318 0.000000 0.000000 
1 1 1   28   20    1 o   16.260   1.7469   32.190   6.6021   34.600   9.3555   29.800   9.3181   16.632   2.4560   15.336   2.6701 1.296215 3.627907 
1 1 1   28   20    2 o   41.049   2.6920  209.305   25.950  206.700   36.734  211.900   36.663   39.669   3.9750   40.234   3.9083 -0.5652008 5.574585 
1 1 1   28   20    3 o   19.728   1.8295   47.351   8.4257   47.400   11.849   47.300   11.983   19.432   2.6515   19.396   2.6887 0.3652573E-01 3.776194 
1 1 1   28   20    4 o   7.6210   1.8764   7.2914   3.3542   8.8000   5.0493   6.1000   4.4873   8.3693   2.4187   7.1487   2.3223 1.220559 3.353046 
1 1 1   28   20    5 o   34.151   2.3155  143.280   18.563  152.800   26.568  134.200   25.946   34.606   3.2909   32.294   3.4561 2.311810 4.772282 
1 1 1   28   20    6 o   30.351   2.3534  113.510   16.735   94.200   23.862  132.200   23.476   26.689   3.9015   32.276   3.1190 -5.587662 4.995019 
1 1 1   28   20    7 o   18.300   1.8643   40.891   7.9438   33.100   11.339   48.400   11.132   15.977   3.1175   19.706   2.4448 -3.728873 3.961828 
1 1 1   28   20    8 o   19.454   1.9609   46.337   8.8850   39.200   12.889   52.800   12.265   17.341   3.2673   20.522   2.5886 -3.180861 4.168476 
1 1 1   28   20    9 o   32.874   3.4242  139.600   26.192   0.0000   0.0000  139.600   26.192  ?   ?    32.874   3.4242 0.000000 3.424228 
1 1 1   28   20   10 o   24.632   2.9097   77.000   16.598   0.0000   0.0000   77.000   16.598  ?   ?    24.632   2.9097 0.000000 2.909741 
1 1 1   28   20   11 o   13.520   2.4735   23.200   7.6059   0.0000   0.0000   23.200   7.6059  ?   ?    13.520   2.4735 0.000000 2.473464 
1 1 1   28   20   12 o   13.405   2.5197   22.900   7.6828   0.0000   0.0000   22.900   7.6828  ?   ?    13.405   2.5197 0.000000 2.519667 
1 1 1   28   20   13 o   5.3003   1.9714   2.7000   3.2963   0.0000   0.0000   2.7000   3.2963  ?   ?    5.3003   1.9714 0.000000 1.971413 
1 1 1   28   20   14 o   18.128   2.6462   41.900   10.994   0.0000   0.0000   41.900   10.994  ?   ?    18.128   2.6462 0.000000 2.646226 
1 1 1   28   20   15 o   3.3852   1.4915  -0.6000   2.3194   0.0000   0.0000  -0.6000   2.3194  ?   ?    3.3852   1.4915 0.000000 1.491454 
1 1 1   28   20   16 o   21.045   2.9320   57.700   14.174   0.0000   0.0000   57.700   14.174  ?   ?    21.045   2.9320 0.000000 2.931978 
1 1 1   28   20   17 o   36.912   4.0261  191.600   34.524   0.0000   0.0000  191.600   34.524  ?   ?    36.912   4.0261 0.000000 4.026118 
1 1 1   28   20   18 o   10.609   2.6635   15.000   6.6628   0.0000   0.0000   15.000   6.6628  ?   ?    10.609   2.6635 0.000000 2.663547 
1 1 1   28   20   19 o   13.457   2.8770   24.500   8.8652   0.0000   0.0000   24.500   8.8652  ?   ?    13.457   2.8770 0.000000 2.877049 
1 1 1   28   20   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   20   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21    0 o   10.881   2.9305   17.000   6.5074   17.000   6.5074   17.000   6.5074   10.881   2.9305   10.881   2.9305 0.000000 0.000000 
1 1 1   28   21    1 o   12.922   1.6719   20.411   4.9822   17.500   6.9437   23.500   7.1526   11.696   2.5831   13.695   2.2929 -1.998613 3.453942 
1 1 1   28   21    2 o   7.2266   1.8105   6.5491   3.0831   1.9000   4.4343   10.900   4.2897   5.5284   2.2215   9.3084   2.0104 -3.780004 2.996083 
1 1 1   28   21    3 o   34.818   2.4096  149.594   19.690  151.100   27.903  148.100   27.788   34.194   3.5052   33.830   3.5305 0.3644333 4.975076 
1 1 1   28   21    4 o   8.1733   1.7771   8.3622   3.3321   11.700   5.0024   5.7000   4.4675   9.6013   2.2463   6.9685   2.3198 2.632729 3.229131 
1 1 1   28   21    5 o   12.043   1.8257   17.897   5.0292   14.600   7.2843   20.900   6.9520   10.629   2.8457   12.865   2.3759 -2.236792 3.707158 
1 1 1   28   21    6 o   18.971   1.8578   43.935   8.2155   40.300   11.759   47.400   11.483   17.751   2.9060   19.436   2.5646 -1.684769 3.875821 
1 1 1   28   21    7 o   20.618   1.9469   52.004   9.3662   50.400   13.732   53.400   12.808   19.821   3.0301   20.575   2.7014 -0.7534046 4.059487 
1 1 1   28   21    8 o   24.220   2.8886   74.400   16.195   0.0000   0.0000   74.400   16.195  ?   ?    24.220   2.8886 0.000000 2.888585 
1 1 1   28   21    9 o   19.792   2.6808   49.500   12.206   0.0000   0.0000   49.500   12.206  ?   ?    19.792   2.6808 0.000000 2.680786 
1 1 1   28   21   10 f   11.736   2.4582   17.600   6.5942   0.0000   0.0000   17.600   6.5942  ?   ?    11.736   2.4582 0.000000 2.458205 
1 1 1   28   21   11 o   8.1009   2.3343   8.3000   4.7092   0.0000   0.0000   8.3000   4.7092  ?   ?    8.1009   2.3343 0.000000 2.334266 
1 1 1   28   21   12 o   19.301   2.7034   47.500   11.983   0.0000   0.0000   47.500   11.983  ?   ?    19.301   2.7034 0.000000 2.703405 
1 1 1   28   21   13 o   9.9127   2.4532   12.700   5.7113   0.0000   0.0000   12.700   5.7113  ?   ?    9.9127   2.4532 0.000000 2.453218 
1 1 1   28   21   14 o   24.772   3.0182   79.800   17.290   0.0000   0.0000   79.800   17.290  ?   ?    24.772   3.0182 0.000000 3.018201 
1 1 1   28   21   15 o   10.561   2.8227   14.800   7.1747   0.0000   0.0000   14.800   7.1747  ?   ?    10.561   2.8227 0.000000 2.822746 
1 1 1   28   21   16 o   7.7544   2.5469   7.5000   5.3921   0.0000   0.0000   7.5000   5.3921  ?   ?    7.7544   2.5469 0.000000 2.546943 
1 1 1   28   21   17 o   27.321   3.3270  101.600   21.021   0.0000   0.0000  101.600   21.021  ?   ?    27.321   3.3270 0.000000 3.327043 
1 1 1   28   21   18 o   18.794   2.8559   47.100   12.275   0.0000   0.0000   47.100   12.275  ?   ?    18.794   2.8559 0.000000 2.855854 
1 1 1   28   21   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   21   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22    0 o   13.523   2.8748   24.800   8.0701   24.800   8.0701   24.800   8.0701   13.523   2.8748   13.523   2.8748 0.000000 0.000000 
1 1 1   28   22    1 o   28.068   2.1275   96.576   13.996   99.200   19.885   94.000   19.702   27.911   3.0677   27.121   3.1342 0.7906399 4.385601 
1 1 1   28   22    2 o   21.521   1.9163   56.558   9.6363   50.800   13.697   62.200   13.560   19.916   3.0060   22.265   2.6298 -2.348415 3.994007 
1 1 1   28   22    3 o   31.846   2.1803  124.440   16.297  146.900   23.130  102.300   22.965   34.134   2.8970   28.004   3.5527 6.130548 4.584181 
1 1 1   28   22    4 o   18.301   1.8011   40.854   7.6829   39.800   10.888   41.900   10.843   17.726   2.6853   18.237   2.5906 -0.5109577 3.731227 
1 1 1   28   22    5 o   5.0393   1.7175   2.8421   2.4489   4.6000   3.6479   1.4000   3.3040   6.2873   2.0964   4.7826   1.9190 1.504686 2.842073 
1 1 1   28   22    6 o   25.384   1.9695   78.733   11.712   85.400   16.921   72.600   16.228   26.011   2.7990   23.885   2.9394 2.126127 4.058820 
1 1 1   28   22    7 o   20.541   2.7165   53.400   12.853   0.0000   0.0000   53.400   12.853  ?   ?    20.541   2.7165 0.000000 2.716539 
1 1 1   28   22    8 o   28.948   3.1932  108.000   21.464   0.0000   0.0000  108.000   21.464  ?   ?    28.948   3.1932 0.000000 3.193200 
1 1 1   28   22    9 o   33.473   3.5096  147.000   27.328   0.0000   0.0000  147.000   27.328  ?   ?    33.473   3.5096 0.000000 3.509606 
1 1 1   28   22   10 o   11.800   2.4881   17.900   6.7144   0.0000   0.0000   17.900   6.7144  ?   ?    11.800   2.4881 0.000000 2.488091 
1 1 1   28   22   11 o   11.677   2.5126   17.600   6.7230   0.0000   0.0000   17.600   6.7230  ?   ?    11.677   2.5126 0.000000 2.512630 
1 1 1   28   22   12 o   11.230   2.4527   16.300   6.3221   0.0000   0.0000   16.300   6.3221  ?   ?    11.230   2.4527 0.000000 2.452678 
1 1 1   28   22   13 o   2.2566   1.0599  -1.5000   1.4374   0.0000   0.0000  -1.5000   1.4374  ?   ?    2.2566   1.0599 0.000000 1.059891 
1 1 1   28   22   14 o   24.399   2.9977   78.200   16.907   0.0000   0.0000   78.200   16.907  ?   ?    24.399   2.9977 0.000000 2.997669 
1 1 1   28   22   15 o   2.4966   1.2018  -3.1000   2.0919   0.0000   0.0000  -3.1000   2.0919  ?   ?    2.4966   1.2018 0.000000 1.201819 
1 1 1   28   22   16 f   19.854   2.8890   52.400   13.147   0.0000   0.0000   52.400   13.147  ?   ?    19.854   2.8890 0.000000 2.889045 
1 1 1   28   22   17 o   5.4956   2.3302   0.9000   5.2456   0.0000   0.0000   0.9000   5.2456  ?   ?    5.4956   2.3302 0.000000 2.330152 
1 1 1   28   22   18 o   10.408   2.8293   14.900   7.1360   0.0000   0.0000   14.900   7.1360  ?   ?    10.408   2.8293 0.000000 2.829260 
1 1 1   28   22   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   22   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23    0 o   17.303   2.8342   39.000   10.647   39.000   10.647   39.000   10.647   17.303   2.8342   17.303   2.8342 0.000000 0.000000 
1 1 1   28   23    1 f   13.623   1.7903   22.806   5.6195   32.000   7.9662   13.700   7.9283   16.050   2.1565   10.293   3.0470 5.756816 3.732892 
1 1 1   28   23    2 o   35.168   2.4867  153.699   20.518  122.400   29.063  184.800   28.970   30.016   4.2166   37.911   3.2680 -7.895109 5.334772 
1 1 1   28   23    3 o   24.316   2.0040   72.462   11.404   76.800   16.199   68.200   16.058   24.601   2.8407   23.065   3.0209 1.536402 4.146770 
1 1 1   28   23    4 o   40.436   2.7009  205.112   25.641  202.100   36.335  208.100   36.188   38.794   4.0250   39.472   3.9350 -0.6781464 5.628916 
1 1 1   28   23    5 o   18.274   2.6518   42.400   11.109   0.0000   0.0000   42.400   11.109  ?   ?    18.274   2.6518 0.000000 2.651826 
1 1 1   28   23    6 o   14.263   2.4997   25.900   8.1123   0.0000   0.0000   25.900   8.1123  ?   ?    14.263   2.4997 0.000000 2.499708 
1 1 1   28   23    7 o   9.3788   2.3804   11.300   5.2809   0.0000   0.0000   11.300   5.2809  ?   ?    9.3788   2.3804 0.000000 2.380425 
1 1 1   28   23    8 o   17.107   2.5975   37.300   10.163   0.0000   0.0000   37.300   10.163  ?   ?    17.107   2.5975 0.000000 2.597527 
1 1 1   28   23    9 o   9.7229   2.3996   12.200   5.4756   0.0000   0.0000   12.200   5.4756  ?   ?    9.7229   2.3996 0.000000 2.399553 
1 1 1   28   23   10 o   22.447   2.8529   65.000   14.780   0.0000   0.0000   65.000   14.780  ?   ?    22.447   2.8529 0.000000 2.852891 
1 1 1   28   23   11 o   11.809   2.4943   18.100   6.7373   0.0000   0.0000   18.100   6.7373  ?   ?    11.809   2.4943 0.000000 2.494255 
1 1 1   28   23   12 o   13.944   2.5916   25.300   8.2189   0.0000   0.0000   25.300   8.2189  ?   ?    13.944   2.5916 0.000000 2.591583 
1 1 1   28   23   13 o   20.493   2.7854   54.900   13.130   0.0000   0.0000   54.900   13.130  ?   ?    20.493   2.7854 0.000000 2.785438 
1 1 1   28   23   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   15 o   20.607   2.9499   56.800   13.945   0.0000   0.0000   56.800   13.945  ?   ?    20.607   2.9499 0.000000 2.949927 
1 1 1   28   23   16 o   7.7971   2.5610   7.8000   5.4516   0.0000   0.0000   7.8000   5.4516  ?   ?    7.7971   2.5610 0.000000 2.560961 
1 1 1   28   23   17 o  ?   ?   -6.5000   1.2707   0.0000   0.0000  -6.5000   1.2707  ?   ?   ?   ?  0.000000      ? 
1 1 1   28   23   18 o   1.8912   0.9498  -5.5000   1.8710   0.0000   0.0000  -5.5000   1.8710  ?   ?    1.8912   0.9498 0.000000 0.9498455 
1 1 1   28   23   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   23   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24    0 o   24.463   3.0218   76.400   16.740   76.400   16.740   76.400   16.740   24.463   3.0218   24.463   3.0218 0.000000 0.000000 
1 1 1   28   24    1 o   15.883   1.8044   30.982   6.6473   40.400   9.4351   21.700   9.3667   17.976   2.2736   12.789   3.1276 5.186972 3.866609 
1 1 1   28   24    2 o   24.934   2.0276   76.483   11.835   81.800   16.764   71.200   16.710   25.310   2.8548   23.446   3.0937 1.864393 4.209677 
1 1 1   28   24    3 o   37.155   2.6101  173.481   22.754  157.900   32.317  188.800   32.044   33.985   4.1105   37.724   3.6426 -3.739120 5.492237 
1 1 1   28   24    4 o   8.6208   2.4858   9.5000   5.3387   0.0000   0.0000   9.5000   5.3387  ?   ?    8.6208   2.4858 0.000000 2.485790 
1 1 1   28   24    5 o   20.740   2.7709   55.100   13.231   0.0000   0.0000   55.100   13.231  ?   ?    20.740   2.7709 0.000000 2.770911 
1 1 1   28   24    6 o   34.790   3.6679  162.200   29.679   0.0000   0.0000  162.200   29.679  ?   ?    34.790   3.6679 0.000000 3.667933 
1 1 1   28   24    7 o   19.123   2.6789   46.900   11.765   0.0000   0.0000   46.900   11.765  ?   ?    19.123   2.6789 0.000000 2.678893 
1 1 1   28   24    8 o   17.900   2.6817   41.300   10.987   0.0000   0.0000   41.300   10.987  ?   ?    17.900   2.6817 0.000000 2.681728 
1 1 1   28   24    9 o   10.361   2.4706   14.000   5.9594   0.0000   0.0000   14.000   5.9594  ?   ?    10.361   2.4706 0.000000 2.470557 
1 1 1   28   24   10 o   29.036   3.2877  112.700   22.145   0.0000   0.0000  112.700   22.145  ?   ?    29.036   3.2877 0.000000 3.287731 
1 1 1   28   24   11 o   15.885   2.6199   32.900   9.4845   0.0000   0.0000   32.900   9.4845  ?   ?    15.885   2.6199 0.000000 2.619859 
1 1 1   28   24   12 o   33.362   3.6945  155.400   28.617   0.0000   0.0000  155.400   28.617  ?   ?    33.362   3.6945 0.000000 3.694465 
1 1 1   28   24   13 o   13.096   2.6659   22.800   7.9637   0.0000   0.0000   22.800   7.9637  ?   ?    13.096   2.6659 0.000000 2.665890 
1 1 1   28   24   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   15 o   13.383   2.8175   24.400   8.6225   0.0000   0.0000   24.400   8.6225  ?   ?    13.383   2.8175 0.000000 2.817523 
1 1 1   28   24   16 o   23.259   3.2023   75.300   17.122   0.0000   0.0000   75.300   17.122  ?   ?    23.259   3.2023 0.000000 3.202342 
1 1 1   28   24   17 o   4.7782   2.0421   0.4000   4.0861   0.0000   0.0000   0.4000   4.0861  ?   ?    4.7782   2.0421 0.000000 2.042120 
1 1 1   28   24   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   24   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25    0 o   23.041   2.9897   68.300   15.510   68.300   15.510   68.300   15.510   23.041   2.9897   23.041   2.9897 0.000000 0.000000 
1 1 1   28   25    1 o   14.690   1.7684   26.609   6.0112   32.100   8.6588   21.500   8.3518   15.903   2.3788   12.775   2.8420 3.128296 3.706168 
1 1 1   28   25    2 o   31.670   2.3057  125.287   17.125  129.800   24.254  120.800   24.183   31.342   3.3280   30.096   3.4661 1.245758 4.805164 
1 1 1   28   25    3 o   12.214   2.5726   19.400   7.1854   0.0000   0.0000   19.400   7.1854  ?   ?    12.214   2.5726 0.000000 2.572621 
1 1 1   28   25    4 o   23.529   2.9785   72.200   16.178   0.0000   0.0000   72.200   16.178  ?   ?    23.529   2.9785 0.000000 2.978453 
1 1 1   28   25    5 o   7.0052   2.2780   6.0000   4.3173   0.0000   0.0000   6.0000   4.3173  ?   ?    7.0052   2.2780 0.000000 2.277959 
1 1 1   28   25    6 o   22.673   2.9297   67.200   15.318   0.0000   0.0000   67.200   15.318  ?   ?    22.673   2.9297 0.000000 2.929655 
1 1 1   28   25    7 o   15.245   2.7488   30.500   9.5316   0.0000   0.0000   30.500   9.5316  ?   ?    15.245   2.7488 0.000000 2.748799 
1 1 1   28   25    8 o   30.497   3.4205  126.100   24.208   0.0000   0.0000  126.100   24.208  ?   ?    30.497   3.4205 0.000000 3.420484 
1 1 1   28   25    9 o   5.3264   1.9882   2.8000   3.3586   0.0000   0.0000   2.8000   3.3586  ?   ?    5.3264   1.9882 0.000000 1.988211 
1 1 1   28   25   10 o   9.1153   2.3605   10.900   5.1211   0.0000   0.0000   10.900   5.1211  ?   ?    9.1153   2.3605 0.000000 2.360490 
1 1 1   28   25   11 o   8.1845   2.5556   8.7000   5.4790   0.0000   0.0000   8.7000   5.4790  ?   ?    8.1845   2.5556 0.000000 2.555557 
1 1 1   28   25   12 o   11.826   2.6538   18.800   7.2286   0.0000   0.0000   18.800   7.2286  ?   ?    11.826   2.6538 0.000000 2.653806 
1 1 1   28   25   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25   14 o   5.8359   2.3073   2.9000   4.7076   0.0000   0.0000   2.9000   4.7076  ?   ?    5.8359   2.3073 0.000000 2.307289 
1 1 1   28   25   15 o   25.327   3.3208   90.300   19.381   0.0000   0.0000   90.300   19.381  ?   ?    25.327   3.3208 0.000000 3.320783 
1 1 1   28   25   16 o   13.323   2.7359   24.300   8.3193   0.0000   0.0000   24.300   8.3193  ?   ?    13.323   2.7359 0.000000 2.735924 
1 1 1   28   25   17 o   15.258   2.9186   32.400   10.133   0.0000   0.0000   32.400   10.133  ?   ?    15.258   2.9186 0.000000 2.918599 
1 1 1   28   25   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   25   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   26    0 o   21.154   2.9402   58.200   13.876   58.200   13.876   58.200   13.876   21.154   2.9402   21.154   2.9402 0.000000 0.000000 
1 1 1   28   26    1 o   10.256   1.8502   13.265   4.3159   19.700   6.5033   8.2000   5.7696   12.368   2.3118   8.0682   2.6339 4.299659 3.504494 
1 1 1   28   26    2 o   11.169   2.6388   16.500   6.8489   0.0000   0.0000   16.500   6.8489  ?   ?    11.169   2.6388 0.000000 2.638787 
1 1 1   28   26    3 o  ?   ?   -5.5000   0.8328   0.0000   0.0000  -5.5000   0.8328  ?   ?   ?   ?  0.000000      ? 
1 1 1   28   26    4 o   13.859   2.6747   25.300   8.4361   0.0000   0.0000   25.300   8.4361  ?   ?    13.859   2.6747 0.000000 2.674700 
1 1 1   28   26    5 o   15.324   2.7025   30.900   9.4218   0.0000   0.0000   30.900   9.4218  ?   ?    15.324   2.7025 0.000000 2.702498 
1 1 1   28   26    6 o   9.3951   2.6303   11.700   6.0665   0.0000   0.0000   11.700   6.0665  ?   ?    9.3951   2.6303 0.000000 2.630292 
1 1 1   28   26    7 o   15.289   2.7186   30.900   9.4555   0.0000   0.0000   30.900   9.4555  ?   ?    15.289   2.7186 0.000000 2.718624 
1 1 1   28   26    8 o   15.805   2.7538   33.200   9.9042   0.0000   0.0000   33.200   9.9042  ?   ?    15.805   2.7538 0.000000 2.753773 
1 1 1   28   26    9 o   18.046   2.7600   43.300   11.388   0.0000   0.0000   43.300   11.388  ?   ?    18.046   2.7600 0.000000 2.759973 
1 1 1   28   26   10 o   13.298   2.7197   23.800   8.2524   0.0000   0.0000   23.800   8.2524  ?   ?    13.298   2.7197 0.000000 2.719698 
1 1 1   28   26   11 o   13.641   2.5782   24.800   8.0002   0.0000   0.0000   24.800   8.0002  ?   ?    13.641   2.5782 0.000000 2.578158 
1 1 1   28   26   12 o   8.3627   2.4638   9.3000   5.1947   0.0000   0.0000   9.3000   5.1947  ?   ?    8.3627   2.4638 0.000000 2.463817 
1 1 1   28   26   13 o   12.439   2.8230   21.300   8.1022   0.0000   0.0000   21.300   8.1022  ?   ?    12.439   2.8230 0.000000 2.823028 
1 1 1   28   26   14 o   8.8057   2.5924   10.500   5.7530   0.0000   0.0000   10.500   5.7530  ?   ?    8.8057   2.5924 0.000000 2.592402 
1 1 1   28   26   15 o   11.002   2.8819   17.000   7.5761   0.0000   0.0000   17.000   7.5761  ?   ?    11.002   2.8819 0.000000 2.881877 
1 1 1   28   26   16 o   14.770   2.9930   30.700   10.081   0.0000   0.0000   30.700   10.081  ?   ?    14.770   2.9930 0.000000 2.992985 
1 1 1   28   26   17 o   12.167   2.8823   20.900   8.1536   0.0000   0.0000   20.900   8.1536  ?   ?    12.167   2.8823 0.000000 2.882261 
1 1 1   28   26   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   26   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   26   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27    1 o   19.461   2.8324   50.200   12.634   0.0000   0.0000   50.200   12.634  ?   ?    19.461   2.8324 0.000000 2.832430 
1 1 1   28   27    2 o   4.7248   1.8806   1.6000   3.1471   0.0000   0.0000   1.6000   3.1471  ?   ?    4.7248   1.8806 0.000000 1.880629 
1 1 1   28   27    3 o   14.280   2.6869   27.100   8.7279   0.0000   0.0000   27.100   8.7279  ?   ?    14.280   2.6869 0.000000 2.686859 
1 1 1   28   27    4 f   15.301   2.7410   31.200   9.5397   0.0000   0.0000   31.200   9.5397  ?   ?    15.301   2.7410 0.000000 2.741010 
1 1 1   28   27    5 o   21.976   2.9850   65.000   15.089   0.0000   0.0000   65.000   15.089  ?   ?    21.976   2.9850 0.000000 2.985018 
1 1 1   28   27    6 o   15.442   2.7107   31.800   9.5239   0.0000   0.0000   31.800   9.5239  ?   ?    15.442   2.7107 0.000000 2.710737 
1 1 1   28   27    7 o   26.586   3.2291   97.200   19.856   0.0000   0.0000   97.200   19.856  ?   ?    26.586   3.2291 0.000000 3.229082 
1 1 1   28   27    8 o   12.153   2.7065   20.000   7.5679   0.0000   0.0000   20.000   7.5679  ?   ?    12.153   2.7065 0.000000 2.706528 
1 1 1   28   27    9 f   18.422   2.8351   45.800   11.937   0.0000   0.0000   45.800   11.937  ?   ?    18.422   2.8351 0.000000 2.835056 
1 1 1   28   27   10 o   12.066   2.7034   19.800   7.5114   0.0000   0.0000   19.800   7.5114  ?   ?    12.066   2.7034 0.000000 2.703412 
1 1 1   28   27   11 o   17.743   2.9306   43.100   11.850   0.0000   0.0000   43.100   11.850  ?   ?    17.743   2.9306 0.000000 2.930623 
1 1 1   28   27   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27   14 f   6.7269   2.4507   5.3000   5.0503   0.0000   0.0000   5.3000   5.0503  ?   ?    6.7269   2.4507 0.000000 2.450680 
1 1 1   28   27   15 o   7.6277   2.5609   7.6000   5.4436   0.0000   0.0000   7.6000   5.4436  ?   ?    7.6277   2.5609 0.000000 2.560891 
1 1 1   28   27   16 o   11.004   2.8141   17.000   7.3411   0.0000   0.0000   17.000   7.3411  ?   ?    11.004   2.8141 0.000000 2.814112 
1 1 1   28   27   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   27   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28    2 o   29.344   3.5728  122.200   24.246   0.0000   0.0000  122.200   24.246  ?   ?    29.344   3.5728 0.000000 3.572835 
1 1 1   28   28    3 o   26.072   3.2096   93.700   19.343   0.0000   0.0000   93.700   19.343  ?   ?    26.072   3.2096 0.000000 3.209575 
1 1 1   28   28    4 o  ?   ?   -6.0000   1.0481   0.0000   0.0000  -6.0000   1.0481  ?   ?   ?   ?  0.000000      ? 
1 1 1   28   28    5 o   7.1000   2.4451   6.2000   4.9662   0.0000   0.0000   6.2000   4.9662  ?   ?    7.1000   2.4451 0.000000 2.445099 
1 1 1   28   28    6 o   8.6502   2.5373  10.0000   5.5200   0.0000   0.0000  10.0000   5.5200  ?   ?    8.6502   2.5373 0.000000 2.537307 
1 1 1   28   28    7 o   18.635   2.8000   46.800   11.940   0.0000   0.0000   46.800   11.940  ?   ?    18.635   2.8000 0.000000 2.799996 
1 1 1   28   28    8 o  ?   ?   -4.9000   0.8328   0.0000   0.0000  -4.9000   0.8328  ?   ?   ?   ?  0.000000      ? 
1 1 1   28   28    9 o   21.532   2.9666   63.600   14.683   0.0000   0.0000   63.600   14.683  ?   ?    21.532   2.9666 0.000000 2.966600 
1 1 1   28   28   10 o   19.568   2.9329   52.600   13.135   0.0000   0.0000   52.600   13.135  ?   ?    19.568   2.9329 0.000000 2.932894 
1 1 1   28   28   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   28   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29    4 o   2.9645   1.4054  -3.0000   2.6368   0.0000   0.0000  -3.0000   2.6368  ?   ?    2.9645   1.4054 0.000000 1.405390 
1 1 1   28   29    5 f   16.836   2.7590   38.400   10.589   0.0000   0.0000   38.400   10.589  ?   ?    16.836   2.7590 0.000000 2.758960 
1 1 1   28   29    6 o   17.276   2.8040   40.600   11.046   0.0000   0.0000   40.600   11.046  ?   ?    17.276   2.8040 0.000000 2.804024 
1 1 1   28   29    7 o  ?   ?   -7.7000   1.0481   0.0000   0.0000  -7.7000   1.0481  ?   ?   ?   ?  0.000000      ? 
1 1 1   28   29    8 o   5.7675   2.2049   3.3000   4.1873   0.0000   0.0000   3.3000   4.1873  ?   ?    5.7675   2.2049 0.000000 2.204903 
1 1 1   28   29    9 o   12.336   2.7372   21.000   7.7651   0.0000   0.0000   21.000   7.7651  ?   ?    12.336   2.7372 0.000000 2.737186 
1 1 1   28   29   10 o   2.5795   1.2626  -4.8000   2.5785   0.0000   0.0000  -4.8000   2.5785  ?   ?    2.5795   1.2626 0.000000 1.262566 
1 1 1   28   29   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   29   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30    6 o   15.184   2.7767   31.600   9.5889   0.0000   0.0000   31.600   9.5889  ?   ?    15.184   2.7767 0.000000 2.776667 
1 1 1   28   30    7 o   4.8880   1.9931   1.5000   3.6294   0.0000   0.0000   1.5000   3.6294  ?   ?    4.8880   1.9931 0.000000 1.993142 
1 1 1   28   30    8 o   9.5752   2.6400   12.600   6.1618   0.0000   0.0000   12.600   6.1618  ?   ?    9.5752   2.6400 0.000000 2.639964 
1 1 1   28   30    9 o   10.325   2.8971   15.000   7.3513   0.0000   0.0000   15.000   7.3513  ?   ?    10.325   2.8971 0.000000 2.897136 
1 1 1   28   30   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   30   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   31    8 o   3.5476   1.5849  -0.9000   2.7126   0.0000   0.0000  -0.9000   2.7126  ?   ?    3.5476   1.5849 0.000000 1.584947 
1 1 1   28   31    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   32    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   32    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   32    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   32    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   28   32    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0    1 o   3.1865   1.9288   1.1523   2.6750   1.1523   2.6750   1.1523   2.6750   3.1865   1.9288   3.1865   1.9288 0.000000 0.000000 
1 1 1   29    0    2 o   3.9335   2.0459   2.6892   2.4713   2.6892   2.4713   2.6892   2.4713   3.9335   2.0459   3.9335   2.0459 0.000000 0.000000 
1 1 1   29    0    3 o   30.058   2.0554  109.320   14.432  109.320   14.432  109.320   14.432   30.058   2.0554   30.058   2.0554 0.000000 0.000000 
1 1 1   29    0    4 o   41.409   2.7148  208.934   26.284  208.934   26.284  208.934   26.284   41.409   2.7148   41.409   2.7148 0.000000 0.000000 
1 1 1   29    0    5 o   22.817   2.0608   63.632   10.895   63.632   10.895   63.632   10.895   22.817   2.0608   22.817   2.0608 0.000000 0.000000 
1 1 1   29    0    6 o   10.208   2.3162   14.179   4.8678   14.179   4.8678   14.179   4.8678   10.208   2.3162   10.208   2.3162 0.000000 0.000000 
1 1 1   29    0    7 o   12.148   2.0585   19.024   5.3957   19.024   5.3957   19.024   5.3957   12.148   2.0585   12.148   2.0585 0.000000 0.000000 
1 1 1   29    0    8 o   18.559   1.8796   42.289   8.0434   42.289   8.0434   42.289   8.0434   18.559   1.8796   18.559   1.8796 0.000000 0.000000 
1 1 1   29    0    9 o   31.468   2.2507  120.371   16.528  120.371   16.528  120.371   16.528   31.468   2.2507   31.468   2.2507 0.000000 0.000000 
1 1 1   29    0   10 o   40.694   2.6708  202.172   25.411  202.172   25.411  202.172   25.411   40.694   2.6708   40.694   2.6708 0.000000 0.000000 
1 1 1   29    0   11 o   29.101   2.1737  103.098   14.745  103.098   14.745  103.098   14.745   29.101   2.1737   29.101   2.1737 0.000000 0.000000 
1 1 1   29    0   12 o   8.0428   2.5818   9.7983   4.3260   9.7983   4.3260   9.7983   4.3260   8.0428   2.5818   8.0428   2.5818 0.000000 0.000000 
1 1 1   29    0   13 o   19.890   2.0158   48.736   9.2451   48.736   9.2451   48.736   9.2451   19.890   2.0158   19.890   2.0158 0.000000 0.000000 
1 1 1   29    0   14 o   17.753   2.8677   40.900   11.081   40.900   11.081   40.900   11.081   17.753   2.8677   17.753   2.8677 0.000000 0.000000 
1 1 1   29    0   15 o   21.829   2.9075   60.700   14.243   60.700   14.243   60.700   14.243   21.829   2.9075   21.829   2.9075 0.000000 0.000000 
1 1 1   29    0   16 o   14.564   2.9371   28.500   8.9502   28.500   8.9502   28.500   8.9502   14.564   2.9371   14.564   2.9371 0.000000 0.000000 
1 1 1   29    0   17 f   7.2936   3.2219   9.3000   5.8352   9.3000   5.8352   9.3000   5.8352   7.2936   3.2219   7.2936   3.2219 0.000000 0.000000 
1 1 1   29    0   18 o   35.481   3.6400  160.300   29.762  160.300   29.762  160.300   29.762   35.481   3.6400   35.481   3.6400 0.000000 0.000000 
1 1 1   29    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    0   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1    0 o   34.969   3.5082  153.100   28.300  153.100   28.300  153.100   28.300   34.969   3.5082   34.969   3.5082 0.000000 0.000000 
1 1 1   29    1    1 o   35.337   2.3276  152.191   19.313  176.400   27.433  128.400   27.195   37.602   3.1177   31.696   3.7033 5.906622 4.840917 
1 1 1   29    1    2 o   33.246   2.2384  134.478   17.471  104.300   24.638  165.000   24.777   28.499   3.7522   36.488   2.8996 -7.988108 4.742048 
1 1 1   29    1    3 o   5.0008   1.5497   2.9792   2.0190  -2.4000   2.5968   11.200   3.2103   3.1084   1.4484   9.5792   1.4659 -6.470735 2.060699 
1 1 1   29    1    4 o   17.681   1.7856   37.896   7.3530   34.700   10.392   41.100   10.405   16.621   2.7436   18.210   2.4845 -1.589390 3.701392 
1 1 1   29    1    5 o   41.064   2.6661  207.450   25.712  220.300   36.434  194.700   36.292   41.521   3.7567   38.808   4.0185 2.712334 5.501054 
1 1 1   29    1    6 o   27.682   2.0048   92.901   13.016   72.100   18.321  114.100   18.496   23.805   3.3521   30.434   2.5986 -6.628555 4.241336 
1 1 1   29    1    7 o   24.059   1.9404   70.182   10.930   75.100   15.486   65.300   15.429   24.596   2.7113   22.824   2.9306 1.772625 3.992416 
1 1 1   29    1    8 o   9.2585   1.7141   10.601   3.6094   6.4000   4.9676   15.300   5.2534   7.3888   2.4455   11.079   2.0845 -3.690598 3.213342 
1 1 1   29    1    9 o   49.361   3.0938  304.561   35.879  298.500   50.579  310.700   50.903   47.350   4.5809   48.401   4.5055 -1.050800 6.425234 
1 1 1   29    1   10 o   13.478   1.5843   22.057   4.9458   8.7000   6.8064   37.000   7.1990   8.5595   2.8636   17.453   1.7714 -8.893134 3.367203 
1 1 1   29    1   11 o   40.660   2.6370  204.471   25.182  186.100   35.537  223.000   35.689   37.644   4.0623   41.610   3.6698 -3.966480 5.474413 
1 1 1   29    1   12 o   15.616   1.7297   29.685   6.2712   28.200   8.8248   31.200   8.9135   14.944   2.5950   15.780   2.4735 -0.8358088 3.584940 
1 1 1   29    1   13 o   13.822   1.7323   23.343   5.5299   22.100   7.7974   24.600   7.8436   13.184   2.5970   13.971   2.4678 -0.7869081 3.582515 
1 1 1   29    1   14 o   43.372   4.2619  251.400   43.086   0.0000   0.0000  251.400   43.086  ?   ?    43.372   4.2619 0.000000 4.261910 
1 1 1   29    1   15 o   39.720   3.9484  208.100   36.543   0.0000   0.0000  208.100   36.543  ?   ?    39.720   3.9484 0.000000 3.948413 
1 1 1   29    1   16 o   19.148   2.7005   46.300   11.872   0.0000   0.0000   46.300   11.872  ?   ?    19.148   2.7005 0.000000 2.700523 
1 1 1   29    1   17 o   33.080   3.4751  141.700   26.740   0.0000   0.0000  141.700   26.740  ?   ?    33.080   3.4751 0.000000 3.475118 
1 1 1   29    1   18 o   11.627   2.5198   17.300   6.7184   0.0000   0.0000   17.300   6.7184  ?   ?    11.627   2.5198 0.000000 2.519795 
1 1 1   29    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    1   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2    0 o   36.021   3.5814  162.600   29.772  162.600   29.772  162.600   29.772   36.021   3.5814   36.021   3.5814 0.000000 0.000000 
1 1 1   29    2    1 o   36.281   2.4588  161.000   20.941  170.600   29.614  151.400   29.614   36.749   3.4532   34.440   3.6995 2.308949 5.060677 
1 1 1   29    2    2 o   25.462   1.9984   78.603   11.919   88.900   16.895   68.400   16.818   26.808   2.7059   23.298   3.1366 3.509983 4.142436 
1 1 1   29    2    3 o   25.502   1.9312   78.718   11.543   94.200   16.396   63.500   16.255   27.675   2.5371   22.424   3.1572 5.250965 4.050326 
1 1 1   29    2    4 o   54.225   3.3630  369.200   42.849  369.400   60.604  369.000   60.592   52.473   4.9495   52.442   4.9516 0.3111267E-01 7.001151 
1 1 1   29    2    5 o   7.1368   1.7506   6.3523   2.9279   3.9000   3.9944   9.2000   4.3044   6.1105   2.1857   8.5580   2.1366 -2.447493 3.056486 
1 1 1   29    2    6 f   16.179   1.7486   31.767   6.5741   34.300   9.2671   29.200   9.3276   16.620   2.4334   15.227   2.6927 1.392980 3.629346 
1 1 1   29    2    7 o   6.8911   1.7392   5.9193   2.8303   3.0000   3.8908   9.2000   4.1246   5.7040   2.1378   8.5603   2.0644 -2.856329 2.971896 
1 1 1   29    2    8 o   26.648   2.0471   86.295   12.783   85.200   18.034   87.400   18.121   26.071   2.9831   26.423   2.9550 -0.3520584 4.198889 
1 1 1   29    2    9 o   15.389   1.7340   28.789   6.1915   29.700   8.8103   27.900   8.7030   15.405   2.5083   14.902   2.5658 0.5025797 3.588156 
1 1 1   29    2   10 o   31.766   2.2737  123.460   16.942  121.200   24.013  125.700   23.908   30.857   3.3494   31.486   3.2629 -0.6294174 4.676019 
1 1 1   29    2   11 o   9.7223   1.8340   11.750   4.0561   10.800   5.9010   12.600   5.5844   9.2338   2.5974   9.9591   2.4024 -0.7252550 3.538027 
1 1 1   29    2   12 o   34.681   2.4190  148.035   19.687  168.300   27.817  127.700   27.865   36.394   3.2717   31.245   3.8588 5.149755 5.059075 
1 1 1   29    2   13 o   4.9906   1.7376   2.7000   2.5114   2.7000   4.1972   2.7000   3.1344   5.7026   2.2006   5.2480   1.9278 0.4546175 2.925555 
1 1 1   29    2   14 o   59.422   6.0171  522.800   83.265   0.0000   0.0000  522.800   83.265  ?   ?    59.422   6.0171 0.000000 6.017058 
1 1 1   29    2   15 o   17.260   2.5731   37.500   10.167   0.0000   0.0000   37.500   10.167  ?   ?    17.260   2.5731 0.000000 2.573077 
1 1 1   29    2   16 o   28.662   3.1920  105.100   21.237   0.0000   0.0000  105.100   21.237  ?   ?    28.662   3.1920 0.000000 3.191973 
1 1 1   29    2   17 o   16.924   2.6161   36.200   10.118   0.0000   0.0000   36.200   10.118  ?   ?    16.924   2.6161 0.000000 2.616104 
1 1 1   29    2   18 o   5.0350   1.9572   2.0000   3.3392   0.0000   0.0000   2.0000   3.3392  ?   ?    5.0350   1.9572 0.000000 1.957217 
1 1 1   29    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    2   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3    0 o   41.513   3.9565  217.000   37.975  217.000   37.975  217.000   37.975   41.513   3.9565   41.513   3.9565 0.000000 0.000000 
1 1 1   29    3    1 o   24.158   1.9667   70.744   11.122   65.600   15.719   75.900   15.738   22.878   2.9805   24.737   2.7404 -1.859102 4.048786 
1 1 1   29    3    2 o   17.528   1.7950   37.254   7.3246   36.700   10.392   37.800   10.325   17.136   2.6540   17.418   2.5891 -0.2819576 3.707730 
1 1 1   29    3    3 o   34.606   2.3653  146.212   19.213  155.100   27.230  137.400   27.114   35.099   3.3250   32.880   3.5485 2.219349 4.862917 
1 1 1   29    3    4 o   20.876   1.8650   52.803   9.0967   54.800   12.854   50.800   12.875   21.006   2.6504   20.166   2.7775 0.8401222 3.839217 
1 1 1   29    3    5 o   19.874   1.6947   47.688   7.8773   64.900   11.244   31.100   11.039   23.088   2.0850   15.585   3.1085 7.502355 3.742963 
1 1 1   29    3    6 o   33.974   2.2714  140.701   18.117  171.800   25.684  109.900   25.560   37.168   2.9506   29.192   3.7980 7.976749 4.809450 
1 1 1   29    3    7 o   13.473   1.6878   22.092   5.2517   32.400   7.4665   12.000   7.3881   16.276   1.9837   9.7798   2.9519 6.496298 3.556544 
1 1 1   29    3    8 o   32.397   2.2870  128.195   17.383  136.400   24.592  120.000   24.576   32.909   3.2052   30.702   3.4496 2.207792 4.708815 
1 1 1   29    3    9 o   22.485   1.9246   61.410   10.120   56.600   14.328   66.200   14.296   21.191   2.9428   23.063   2.6748 -1.872658 3.976707 
1 1 1   29    3   10 o   21.449   1.8978   55.927   9.5130   52.100   13.501   59.700   13.406   20.317   2.8961   21.880   2.6487 -1.563562 3.924714 
1 1 1   29    3   11 o   23.901   1.9746   69.551   11.045   69.000   15.640   70.100   15.599   23.413   2.8903   23.618   2.8548 -0.2052917 4.062494 
1 1 1   29    3   12 o   13.121   1.7672   21.088   5.3359   24.700   7.4583   17.300   7.6370   14.050   2.3296   11.589   2.8180 2.461503 3.656294 
1 1 1   29    3   13 o   42.778   3.0291  230.329   30.401  169.800   43.184  289.800   42.805   34.397   5.5022   47.096   3.8837 -12.69920 6.734750 
1 1 1   29    3   14 o   24.208   2.9108   74.100   16.306   0.0000   0.0000   74.100   16.306  ?   ?    24.208   2.9108 0.000000 2.910828 
1 1 1   29    3   15 o   19.921   2.6933   50.000   12.344   0.0000   0.0000   50.000   12.344  ?   ?    19.921   2.6933 0.000000 2.693260 
1 1 1   29    3   16 o   39.589   3.9652  207.400   36.569   0.0000   0.0000  207.400   36.569  ?   ?    39.589   3.9652 0.000000 3.965158 
1 1 1   29    3   17 o   7.2796   2.2565   6.5000   4.2806   0.0000   0.0000   6.5000   4.2806  ?   ?    7.2796   2.2565 0.000000 2.256540 
1 1 1   29    3   18 o   10.715   2.6290   14.800   6.6019   0.0000   0.0000   14.800   6.6019  ?   ?    10.715   2.6290 0.000000 2.628986 
1 1 1   29    3   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    3   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4    0 o   3.5832   2.0721   1.9000   2.8447   1.9000   2.8447   1.9000   2.8447   3.5832   2.0721   3.5832   2.0721 0.000000 0.000000 
1 1 1   29    4    1 o   32.166   2.2734  126.075   17.157  140.200   24.285  112.000   24.242   33.492   3.1060   29.669   3.5295 3.823301 4.701528 
1 1 1   29    4    2 o   23.757   1.9443   68.400   10.812   50.200   15.269   86.700   15.311   19.795   3.3884   26.568   2.4688 -6.772942 4.192418 
1 1 1   29    4    3 o   44.793   2.7483  247.279   28.929  285.500   41.059  209.600   40.767   47.355   3.7013   39.954   4.3936 7.401108 5.744859 
1 1 1   29    4    4 o   25.199   2.0062   77.050   11.839   77.200   16.714   76.900   16.771   24.867   2.9010   24.810   2.9183 0.5659103E-01 4.114872 
1 1 1   29    4    5 o   20.956   1.8208   53.163   8.9207   59.300   12.708   47.200   12.526   21.913   2.5007   19.404   2.8159 2.508783 3.765992 
1 1 1   29    4    6 o   25.929   2.0344   81.654   12.356   89.300   17.470   74.000   17.479   26.801   2.8018   24.223   3.1290 2.578348 4.200068 
1 1 1   29    4    7 o   34.106   2.3571  142.242   18.867  127.500   26.674  157.000   26.689   31.538   3.6491   35.317   3.2363 -3.778671 4.877421 
1 1 1   29    4    8 o   9.6494   1.8126   11.548   3.9786  10.0000   5.8272   12.900   5.4453   8.9314   2.6033   10.103   2.3300 -1.172022 3.493704 
1 1 1   29    4    9 o   27.868   2.1114   94.649   13.791   97.500   19.508   91.800   19.499   27.849   3.0146   26.957   3.1210 0.8920116 4.339174 
1 1 1   29    4   10 o   14.173   1.7419   24.506   5.7070   27.000   7.9835   21.900   8.1612   14.697   2.3820   13.099   2.7271 1.597308 3.620862 
1 1 1   29    4   11 o   20.314   1.8512   50.173   8.7824   47.300   12.362   53.100   12.479   19.373   2.7822   20.614   2.6229 -1.240971 3.823616 
1 1 1   29    4   12 o   23.209   1.9426   65.591   10.549   66.400   14.999   64.800   14.838   22.977   2.8239   22.692   2.8307 0.2852726 3.998392 
1 1 1   29    4   13 o   22.137   1.9389   59.751   10.033   53.100   14.245   66.300   14.134   20.391   3.0523   23.026   2.6478 -2.634958 4.040710 
1 1 1   29    4   14 f   26.263   3.0161   87.500   18.366   0.0000   0.0000   87.500   18.366  ?   ?    26.263   3.0161 0.000000 3.016104 
1 1 1   29    4   15 o   25.448   2.9917   82.200   17.635   0.0000   0.0000   82.200   17.635  ?   ?    25.448   2.9917 0.000000 2.991748 
1 1 1   29    4   16 o   21.733   2.7946   59.700   14.009   0.0000   0.0000   59.700   14.009  ?   ?    21.733   2.7946 0.000000 2.794579 
1 1 1   29    4   17 o   21.140   2.7677   56.500   13.484   0.0000   0.0000   56.500   13.484  ?   ?    21.140   2.7677 0.000000 2.767725 
1 1 1   29    4   18 o   30.572   3.3846  121.100   24.024   0.0000   0.0000  121.100   24.024  ?   ?    30.572   3.3846 0.000000 3.384599 
1 1 1   29    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    4   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5    0 o   3.6757   2.0460   2.2000   2.6331   2.2000   2.6331   2.2000   2.6331   3.6757   2.0460   3.6757   2.0460 0.000000 0.000000 
1 1 1   29    5    1 o   30.681   2.2136  114.599   15.930  114.400   22.460  114.800   22.597   30.169   3.2017   30.214   3.2167 -0.4484558E-01 4.538484 
1 1 1   29    5    2 o   11.940   1.7271   17.438   4.7282   12.700   6.6780   22.200   6.6954   10.007   2.7439   13.379   2.1955 -3.371490 3.514151 
1 1 1   29    5    3 o   31.121   2.2137  117.930   16.162  128.700   22.878  107.200   22.835   32.091   3.0561   29.082   3.3887 3.008633 4.563205 
1 1 1   29    5    4 o   21.617   1.8928   56.653   9.5648   54.900   13.537   58.400   13.516   20.957   2.8060   21.667   2.7003 -0.7098255 3.894205 
1 1 1   29    5    5 o   25.395   2.0109   78.284   11.960   75.800   16.861   80.800   16.967   24.601   2.9620   25.450   2.8737 -0.8488388 4.126964 
1 1 1   29    5    6 o   20.068   1.8509   48.845   8.6721   47.900   12.235   49.800   12.294   19.578   2.7199   19.988   2.6716 -0.4095154 3.812537 
1 1 1   29    5    7 o   32.871   2.1882  131.585   16.887  152.600   24.006  111.000   23.760   34.997   2.9319   29.499   3.4778 5.498228 4.548733 
1 1 1   29    5    8 o   17.374   1.7771   36.657   7.1878   38.500   10.147   34.800   10.183   17.575   2.5169   16.635   2.6838 0.9401398 3.679294 
1 1 1   29    5    9 f   38.807   2.5835  185.798   23.539  184.600   33.261  187.000   33.317   37.782   3.7788   38.047   3.7575 -0.2646980 5.329026 
1 1 1   29    5   10 o   28.901   2.1489  101.997   14.560  101.100   20.562  102.900   20.621   28.259   3.1341   28.526   3.1118 -0.2663364 4.416544 
1 1 1   29    5   11 o   16.478   1.7635   33.049   6.7553   33.200   9.5731   32.900   9.5339   16.248   2.5814   16.173   2.5834 0.7568169E-01 3.652085 
1 1 1   29    5   12 o   18.883   1.8056   43.373   7.9527   41.000   11.183   45.800   11.311   18.030   2.7106   19.133   2.5684 -1.103205 3.734180 
1 1 1   29    5   13 o   12.526   2.5774   20.000   7.3691   0.0000   0.0000   20.000   7.3691  ?   ?    12.526   2.5774 0.000000 2.577370 
1 1 1   29    5   14 o   13.461   2.5396   23.000   7.7763   0.0000   0.0000   23.000   7.7763  ?   ?    13.461   2.5396 0.000000 2.539554 
1 1 1   29    5   15 o   22.238   2.8207   62.500   14.479   0.0000   0.0000   62.500   14.479  ?   ?    22.238   2.8207 0.000000 2.820691 
1 1 1   29    5   16 o   8.8277   2.4381   9.9000   5.2503   0.0000   0.0000   9.9000   5.2503  ?   ?    8.8277   2.4381 0.000000 2.438143 
1 1 1   29    5   17 o   13.000   2.5097   21.500   7.4253   0.0000   0.0000   21.500   7.4253  ?   ?    13.000   2.5097 0.000000 2.509712 
1 1 1   29    5   18 f   11.634   2.7022   17.500   7.2816   0.0000   0.0000   17.500   7.2816  ?   ?    11.634   2.7022 0.000000 2.702231 
1 1 1   29    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    5   32 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6    0 o   48.917   4.4951  304.500   50.914  304.500   50.914  304.500   50.914   48.917   4.4951   48.917   4.4951 0.000000 0.000000 
1 1 1   29    6    1 o   26.906   1.8953   87.545   11.965   63.600   16.782  112.300   17.063   22.375   3.2732   30.282   2.4061 -7.907440 4.062391 
1 1 1   29    6    2 f   22.343   1.8377   60.403   9.6094   46.100   13.521   75.000   13.659   19.056   3.1123   24.726   2.3684 -5.670397 3.910972 
1 1 1   29    6    3 o   22.137   1.8863   59.383   9.7664   57.300   13.756   61.500   13.869   21.425   2.7848   22.243   2.6955 -0.8184299 3.875653 
1 1 1   29    6    4 o   20.955   1.8241   53.169   8.9358   44.100   12.581   62.400   12.694   18.690   2.9485   22.509   2.4265 -3.819881 3.818599 
1 1 1   29    6    5 o   11.656   1.6716   16.608   4.4694   14.900   6.2455   18.400   6.3987   10.842   2.4917   12.115   2.3212 -1.273185 3.405390 
1 1 1   29    6    6 o   13.377   1.7147   21.812   5.2915   30.100   7.5965   14.000   7.3751   15.639   2.1109   10.474   2.8884 5.165500 3.577539 
1 1 1   29    6    7 o   5.0218   1.7054   2.8126   2.4144   5.4000   3.2918  -0.2000   3.5521   6.6347   1.9632   4.3998   1.8928 2.234970 2.727046 
1 1 1   29    6    8 o   19.197   1.8205   44.758   8.1541   53.000   11.526   36.500   11.537   20.704   2.4022   16.914   2.9985 3.790253 3.842065 
1 1 1   29    6    9 o   22.719   1.9654   62.839   10.440   69.000   14.660   56.500   14.871   23.518   2.6881   21.080   3.0781 2.438116 4.086666 
1 1 1   29    6   10 o   17.810   1.7723   38.557   7.3548   39.500   10.366   37.600   10.437   17.771   2.5427   17.294   2.6395 0.4767799 3.664997 
1 1 1   29    6   11 o   31.525   2.2637  121.817   16.739  129.600   23.648  114.000   23.698   31.971   3.1743   29.800   3.4303 2.170687 4.673692 
1 1 1   29    6   12 o   18.134   1.8163   40.056   7.6731   41.800   10.832   38.300   10.871   18.254   2.5852   17.399   2.7364 0.8547668 3.764460 
1 1 1   29    6   13 o   17.762   1.8046   38.451   7.4638   41.000   10.900   36.200   10.242   18.045   2.6358   16.931   2.6484 1.113405 3.736512 
1 1 1   29    6   14 o   13.223   2.5261   22.200   7.5997   0.0000   0.0000   22.200   7.5997  ?   ?    13.223   2.5261 0.000000 2.526104 
1 1 1   29    6   15 o   4.6596   1.8426   1.5000   3.0028   0.0000   0.0000   1.5000   3.0028  ?   ?    4.6596   1.8426 0.000000 1.842571 
1 1 1   29    6   16 o   8.0844   2.3659   8.2000   4.8044   0.0000   0.0000   8.2000   4.8044  ?   ?    8.0844   2.3659 0.000000 2.365938 
1 1 1   29    6   17 o   23.041   2.8501   67.300   15.176   0.0000   0.0000   67.300   15.176  ?   ?    23.041   2.8501 0.000000 2.850115 
1 1 1   29    6   18 o   5.4594   2.0457   2.8000   3.5623   0.0000   0.0000   2.8000   3.5623  ?   ?    5.4594   2.0457 0.000000 2.045706 
1 1 1   29    6   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    6   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7    0 o   13.986   2.8124   26.100   8.2339   26.100   8.2339   26.100   8.2339   13.986   2.8124   13.986   2.8124 0.000000 0.000000 
1 1 1   29    7    1 o   23.384   1.9256   66.291   10.538   77.000   14.945   55.700   14.862   24.971   2.5713   20.988   3.0913 3.982391 4.020875 
1 1 1   29    7    2 o   26.626   2.0568   86.131   12.832   81.000   18.113   91.300   18.180   25.378   3.0861   27.059   2.8900 -1.681578 4.228042 
1 1 1   29    7    3 o   25.910   2.0404   81.566   12.383   91.700   17.499   71.400   17.526   27.174   2.7656   23.744   3.2080 3.429970 4.235542 
1 1 1   29    7    4 o   25.302   2.0177   77.775   11.955   80.900   16.839   74.600   16.975   25.464   2.8493   24.364   3.0149 1.099600 4.148251 
1 1 1   29    7    5 o   13.385   1.7669   21.878   5.4479   28.600   7.6332   14.900   7.7777   15.215   2.1874   10.789   2.9624 4.425996 3.682491 
1 1 1   29    7    6 o   11.281   1.7872   15.661   4.6023   16.500   6.4684   14.800   6.5495   11.414   2.4716   10.778   2.6029 0.6362171 3.589346 
1 1 1   29    7    7 o   30.739   2.1694  115.250   15.646  134.100   22.185   96.600   22.067   32.772   2.8967   27.445   3.4835 5.326721 4.530530 
1 1 1   29    7    8 o   24.009   1.9558   70.099   10.992   69.600   15.528   70.600   15.562   23.548   2.8506   23.727   2.8336 -0.1786671 4.019371 
1 1 1   29    7    9 o   21.444   1.8812   55.905   9.4294   56.400   13.263   55.400   13.408   21.221   2.7086   21.002   2.7713 0.2191658 3.875137 
1 1 1   29    7   10 o   27.136   2.0835   89.859   13.249   94.700   18.720   85.000   18.753   27.437   2.9349   25.870   3.1338 1.566713 4.293515 
1 1 1   29    7   11 o   26.086   2.0711   83.102   12.653   93.000   17.847   73.100   17.940   27.235   2.8157   23.877   3.2677 3.358318 4.313439 
1 1 1   29    7   12 o   20.885   1.8865   53.149   9.2033   54.200   13.021   52.100   13.009   20.757   2.7223   20.317   2.7850 0.4400177 3.894449 
1 1 1   29    7   13 o   16.468   2.5911   34.200   9.7430   0.0000   0.0000   34.200   9.7430  ?   ?    16.468   2.5911 0.000000 2.591144 
1 1 1   29    7   14 o   20.613   2.7417   53.600   13.014   0.0000   0.0000   53.600   13.014  ?   ?    20.613   2.7417 0.000000 2.741716 
1 1 1   29    7   15 o   16.537   2.6356   34.600   9.9463   0.0000   0.0000   34.600   9.9463  ?   ?    16.537   2.6356 0.000000 2.635624 
1 1 1   29    7   16 o   14.867   2.5563   28.000   8.6507   0.0000   0.0000   28.000   8.6507  ?   ?    14.867   2.5563 0.000000 2.556264 
1 1 1   29    7   17 o   25.581   2.9871   83.400   17.705   0.0000   0.0000   83.400   17.705  ?   ?    25.581   2.9871 0.000000 2.987118 
1 1 1   29    7   18 o   17.480   2.7040   38.900   10.801   0.0000   0.0000   38.900   10.801  ?   ?    17.480   2.7040 0.000000 2.704046 
1 1 1   29    7   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    7   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8    0 o   11.577   2.9061   18.800   6.8719   18.800   6.8719   18.800   6.8719   11.577   2.9061   11.577   2.9061 0.000000 0.000000 
1 1 1   29    8    1 o   26.966   2.0872   88.443   13.187   95.100   18.590   81.700   18.709   27.607   2.8947   25.425   3.1861 2.182032 4.304706 
1 1 1   29    8    2 o   18.106   1.7949   39.774   7.5731   41.100   10.820   38.500   10.603   18.152   2.5985   17.544   2.6413 0.6086369 3.705181 
1 1 1   29    8    3 o   29.924   2.1685  109.073   15.219  106.200   21.423  112.000   21.625   29.026   3.1775   29.852   3.1135 -0.8258972 4.448660 
1 1 1   29    8    4 o   35.885   2.4801  158.120   20.887  175.700   29.480  140.400   29.597   37.233   3.3902   32.909   3.8835 4.324158 5.155068 
1 1 1   29    8    5 o   8.2697   1.7448   8.5188   3.3001   5.2000   4.6123   12.000   4.7239   6.8182   2.3559   9.7749   2.1085 -2.956627 3.161659 
1 1 1   29    8    6 o   34.577   2.4035  146.733   19.502  158.600   27.541  134.800   27.618   35.348   3.3392   32.326   3.6839 3.021473 4.972011 
1 1 1   29    8    7 o   24.395   1.9915   72.433   11.372   59.900   16.104   84.900   16.062   21.634   3.2531   26.142   2.6379 -4.508469 4.188217 
1 1 1   29    8    8 o   11.078   1.7110   15.082   4.3318   18.000   6.2001   12.300   6.0547   11.971   2.2766   9.8239   2.5777 2.146996 3.439094 
1 1 1   29    8    9 o   11.590   1.6607   16.449   4.4149   10.100   6.1280   23.300   6.3661   8.9709   2.6841   13.733   2.0238 -4.762243 3.361537 
1 1 1   29    8   10 o   6.7038   1.7366   5.6119   2.7711  -0.4000   3.7434   12.900   4.1216   4.4533   1.9294   10.209   1.7741 -5.755713 2.621059 
1 1 1   29    8   11 o   27.207   2.0822   90.438   13.276   67.700   18.749  113.300   18.801   22.757   3.6096   30.158   2.6675 -7.401857 4.488279 
1 1 1   29    8   12 o   22.654   1.9243   62.554   10.197   66.100   14.516   59.100   14.326   22.940   2.7337   21.607   2.8795 1.333471 3.970443 
1 1 1   29    8   13 o   12.473   2.6253   19.900   7.4880   0.0000   0.0000   19.900   7.4880  ?   ?    12.473   2.6253 0.000000 2.625338 
1 1 1   29    8   14 o   36.201   3.6944  171.000   31.138   0.0000   0.0000  171.000   31.138  ?   ?    36.201   3.6944 0.000000 3.694391 
1 1 1   29    8   15 o   9.4091   2.4373   11.300   5.4588   0.0000   0.0000   11.300   5.4588  ?   ?    9.4091   2.4373 0.000000 2.437322 
1 1 1   29    8   16 o   27.991   3.1342  100.200   20.361   0.0000   0.0000  100.200   20.361  ?   ?    27.991   3.1342 0.000000 3.134159 
1 1 1   29    8   17 o   6.2694   2.2732   4.1000   4.3377   0.0000   0.0000   4.1000   4.3377  ?   ?    6.2694   2.2732 0.000000 2.273161 
1 1 1   29    8   18 o   25.591   3.0425   84.000   18.025   0.0000   0.0000   84.000   18.025  ?   ?    25.591   3.0425 0.000000 3.042530 
1 1 1   29    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    8   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9    0 o   44.821   4.1997  255.100   43.552  255.100   43.552  255.100   43.552   44.821   4.1997   44.821   4.1997 0.000000 0.000000 
1 1 1   29    9    1 o   10.952   1.6468   14.690   4.1271   20.500   5.8672   9.0000   5.8064   12.888   1.9922   8.5367   2.6251 4.351260 3.295457 
1 1 1   29    9    2 o   13.203   1.6284   21.203   4.9694   28.700   7.0992   14.000   6.9584   15.287   2.0159   10.467   2.7716 4.819676 3.427145 
1 1 1   29    9    3 o   20.213   1.8420   49.595   8.6955   49.000   12.245   50.200   12.350   19.793   2.6896   20.043   2.6764 -0.2500706 3.794350 
1 1 1   29    9    4 o   23.368   1.9400   66.358   10.608   69.000   14.980   63.700   15.024   23.505   2.7509   22.509   2.8935 0.9961605 3.992496 
1 1 1   29    9    5 f   29.793   2.1688  108.340   15.154  112.700   21.455  104.000   21.405   29.906   3.0824   28.636   3.2214 1.269537 4.458569 
1 1 1   29    9    6 o   24.122   1.9760   70.800   11.156   79.700   15.777   61.900   15.777   25.299   2.6819   22.064   3.1148 3.234854 4.110328 
1 1 1   29    9    7 o   16.659   1.8051   33.805   6.9872   48.300   9.8460   19.100   9.9173   19.837   2.1356   12.097   3.3547 7.740655 3.976751 
1 1 1   29    9    8 o   34.672   2.3091  147.374   18.797  128.800   26.494  166.200   26.673   31.575   3.6188   36.274   3.1452 -4.699406 4.794567 
1 1 1   29    9    9 o   10.845   1.7744   14.519   4.3871   16.700   6.1118   12.200   6.3012   11.499   2.3306   9.7760   2.6591 1.723145 3.535935 
1 1 1   29    9   10 o   34.668   2.3962  148.004   19.496  153.600   27.562  142.400   27.582   34.605   3.4176   33.187   3.5761 1.417782 4.946508 
1 1 1   29    9   11 o   7.8466   1.8946   7.7375   3.4708   12.600   4.7769   2.3000   5.0514   10.007   2.0890   5.9299   2.3751 4.077171 3.163095 
1 1 1   29    9   12 o   30.002   2.2380  110.521   15.741  102.500   22.361  118.400   22.163   28.176   3.4317   30.524   3.1187 -2.347893 4.637090 
1 1 1   29    9   13 o   26.331   3.0120   88.000   18.391   0.0000   0.0000   88.000   18.391  ?   ?    26.331   3.0120 0.000000 3.012003 
1 1 1   29    9   14 o   32.997   3.4538  140.600   26.512   0.0000   0.0000  140.600   26.512  ?   ?    32.997   3.4538 0.000000 3.453753 
1 1 1   29    9   15 o   6.2309   2.1313   4.4000   3.7712   0.0000   0.0000   4.4000   3.7712  ?   ?    6.2309   2.1313 0.000000 2.131309 
1 1 1   29    9   16 o   17.469   2.6155   38.600   10.458   0.0000   0.0000   38.600   10.458  ?   ?    17.469   2.6155 0.000000 2.615518 
1 1 1   29    9   17 o   15.347   2.6846   30.100   9.3744   0.0000   0.0000   30.100   9.3744  ?   ?    15.347   2.6846 0.000000 2.684626 
1 1 1   29    9   18 o   29.252   3.2875  111.000   22.315   0.0000   0.0000  111.000   22.315  ?   ?    29.252   3.2875 0.000000 3.287523 
1 1 1   29    9   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29    9   31 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10    0 o   0.9954   0.7196  -1.7000   0.8819  -1.7000   0.8819  -1.7000   0.8819   0.9954   0.7196   0.9954   0.7196 0.000000 0.000000 
1 1 1   29   10    1 o   25.095   1.9871   76.580   11.679   82.200   16.546   71.000   16.486   25.663   2.7746   23.720   3.0113 1.943695 4.094671 
1 1 1   29   10    2 o   17.842   1.7660   38.653   7.3427   38.200   10.423   39.100   10.345   17.461   2.6079   17.691   2.5502 -0.2295818 3.647575 
1 1 1   29   10    3 o   12.694   1.6738   19.668   4.8949   17.700   6.8672   21.700   6.9791   11.803   2.5392   13.162   2.3309 -1.358364 3.446828 
1 1 1   29   10    4 o   3.0597   1.2932   0.0886   1.6073   1.9000   2.3931  -1.4000   2.1695   4.5184   1.6799   3.0129   1.3746 1.505562 2.170664 
1 1 1   29   10    5 o   29.806   2.1877  108.566   15.290  110.700   21.545  106.400   21.703   29.589   3.1312   28.943   3.2306 0.6459141 4.499068 
1 1 1   29   10    6 o   5.1956   1.6794   3.1569   2.3486   3.9000   3.3061   2.4000   3.3368   5.8766   1.9956   5.2099   1.9738 0.6667347 2.806890 
1 1 1   29   10    7 o   28.210   2.1109   97.139   13.960   94.700   19.700   99.600   19.785   27.344   3.1061   28.094   3.0304 -0.7499657 4.339473 
1 1 1   29   10    8 o   50.878   3.2340  327.680   38.652  347.900   54.621  307.400   54.703   50.726   4.6103   47.174   4.9862 3.551853 6.791005 
1 1 1   29   10    9 o   24.778   1.9807   74.830   11.492   71.500   16.205   78.200   16.301   23.775   2.9499   24.947   2.8164 -1.172529 4.078454 
1 1 1   29   10   10 o   7.3937   1.8484   6.8588   3.2184   6.1000   4.5785   7.6000   4.5251   7.1645   2.3467   7.8080   2.2993 -0.6434865 3.285353 
1 1 1   29   10   11 o   25.771   2.0287   81.101   12.246   85.500   17.416   76.800   17.223   26.042   2.8804   24.586   3.0307 1.456089 4.181153 
1 1 1   29   10   12 o   17.826   2.6599   40.100   10.854   0.0000   0.0000   40.100   10.854  ?   ?    17.826   2.6599 0.000000 2.659884 
1 1 1   29   10   13 o   15.718   2.6322   31.300   9.4242   0.0000   0.0000   31.300   9.4242  ?   ?    15.718   2.6322 0.000000 2.632198 
1 1 1   29   10   14 o   5.7977   2.0882   3.5000   3.6519   0.0000   0.0000   3.5000   3.6519  ?   ?    5.7977   2.0882 0.000000 2.088181 
1 1 1   29   10   15 o   24.509   2.9223   76.300   16.579   0.0000   0.0000   76.300   16.579  ?   ?    24.509   2.9223 0.000000 2.922257 
1 1 1   29   10   16 o   14.042   2.5482   25.100   8.1383   0.0000   0.0000   25.100   8.1383  ?   ?    14.042   2.5482 0.000000 2.548204 
1 1 1   29   10   17 o   11.474   2.6267   17.000   6.9629   0.0000   0.0000   17.000   6.9629  ?   ?    11.474   2.6267 0.000000 2.626650 
1 1 1   29   10   18 o   35.485   3.7215  167.200   30.720   0.0000   0.0000  167.200   30.720  ?   ?    35.485   3.7215 0.000000 3.721496 
1 1 1   29   10   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   10   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11    0 o   27.384   3.0794   94.300   19.265   94.300   19.265   94.300   19.265   27.384   3.0794   27.384   3.0794 0.000000 0.000000 
1 1 1   29   11    1 o   26.154   2.0103   83.249   12.321   92.900   17.470   73.700   17.378   27.296   2.7477   24.096   3.1281 3.200493 4.163520 
1 1 1   29   11    2 o   18.704   1.7795   42.481   7.7648   46.700   11.006   38.300   10.957   19.388   2.4593   17.419   2.7554 1.968590 3.693256 
1 1 1   29   11    3 o   17.423   1.7707   36.899   7.1838   37.300   10.171   36.500   10.148   17.253   2.5754   17.053   2.6025 0.1995335 3.661405 
1 1 1   29   11    4 o   10.962   1.7603   14.806   4.4023   19.000   6.1505   10.400   6.3040   12.330   2.1927   9.0998   2.7223 3.230583 3.495544 
1 1 1   29   11    5 o   11.814   1.6961   17.103   4.5958   12.500   6.4667   21.800   6.5327   9.8958   2.6947   13.235   2.1652 -3.338940 3.456813 
1 1 1   29   11    6 o   42.920   2.7958  229.367   28.181  211.900   39.873  246.800   39.834   39.883   4.3019   43.471   3.9229 -3.587963 5.821966 
1 1 1   29   11    7 o   8.8600   1.8205   9.8010   3.6814   11.400   5.0582   8.0000   5.3683   9.4810   2.2860   8.0725   2.5311 1.408544 3.410587 
1 1 1   29   11    8 o   25.067   2.0151   76.657   11.827   77.900   16.682   75.400   16.769   24.856   2.8965   24.411   2.9704 0.4457111 4.148831 
1 1 1   29   11    9 o   27.805   2.1241   94.582   13.841  101.000   19.525   88.100   19.623   28.285   2.9676   26.242   3.2351 2.042524 4.390083 
1 1 1   29   11   10 o   6.3892   1.7989   5.0636   2.8293   6.8000   4.0447   3.4000   3.9590   7.3974   2.1726   5.8721   2.1651 1.525280 3.067223 
1 1 1   29   11   11 o   8.6147   1.8177   9.2857   3.5814   15.000   5.8716   5.9000   4.5195   10.868   2.3559   7.0656   2.3323 3.802484 3.315089 
1 1 1   29   11   12 o   18.614   2.6768   43.700   11.427   0.0000   0.0000   43.700   11.427  ?   ?    18.614   2.6768 0.000000 2.676835 
1 1 1   29   11   13 o   24.931   2.9478   78.800   17.018   0.0000   0.0000   78.800   17.018  ?   ?    24.931   2.9478 0.000000 2.947790 
1 1 1   29   11   14 o   12.313   2.7859   19.600   7.9111   0.0000   0.0000   19.600   7.9111  ?   ?    12.313   2.7859 0.000000 2.785915 
1 1 1   29   11   15 o   25.235   2.9595   81.100   17.301   0.0000   0.0000   81.100   17.301  ?   ?    25.235   2.9595 0.000000 2.959534 
1 1 1   29   11   16 o   35.047   3.6206  161.300   29.532   0.0000   0.0000  161.300   29.532  ?   ?    35.047   3.6206 0.000000 3.620605 
1 1 1   29   11   17 f   20.954   2.8855   56.200   13.899   0.0000   0.0000   56.200   13.899  ?   ?    20.954   2.8855 0.000000 2.885491 
1 1 1   29   11   18 o   19.107   2.7783   46.800   12.168   0.0000   0.0000   46.800   12.168  ?   ?    19.107   2.7783 0.000000 2.778305 
1 1 1   29   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   11   30 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12    0 o   15.426   2.8025   31.300   9.2101   31.300   9.2101   31.300   9.2101   15.426   2.8025   15.426   2.8025 0.000000 0.000000 
1 1 1   29   12    1 o   9.3491   1.7324   10.835   3.6836   8.8000   5.2560   12.800   5.1640   8.3913   2.4800   10.067   2.2310 -1.675724 3.335845 
1 1 1   29   12    2 o   32.419   2.2752  128.769   17.307  120.900   24.429  136.700   24.523   30.717   3.4262   32.838   3.2034 -2.120316 4.690501 
1 1 1   29   12    3 o   28.102   2.1014   96.387   13.844  107.700   19.589   85.100   19.567   29.317   2.8664   25.799   3.2866 3.517723 4.360925 
1 1 1   29   12    4 o   15.577   1.7447   29.556   6.3070   27.600   8.9326   31.500   8.9063   14.755   2.6618   15.860   2.4575 -1.105865 3.622769 
1 1 1   29   12    5 o   14.161   1.7014   24.452   5.5752   30.900   7.9459   18.200   7.8246   15.794   2.1894   11.882   2.8293 3.912037 3.577512 
1 1 1   29   12    6 o   11.861   1.7107   17.260   4.6529   18.600   6.5565   15.900   6.6040   12.135   2.3731   11.155   2.5612 0.9802332 3.491574 
1 1 1   29   12    7 o   25.168   2.0019   77.252   11.799   79.700   16.679   74.800   16.695   25.163   2.8577   24.310   2.9701 0.8533249 4.121607 
1 1 1   29   12    8 o   18.390   1.7767   41.142   7.6193   44.000   10.790   38.300   10.761   18.767   2.4967   17.408   2.7057 1.359615 3.681636 
1 1 1   29   12    9 o   26.267   2.0569   84.297   12.656   83.900   17.842   84.700   17.955   25.736   2.9918   25.857   2.9963 -0.1210804 4.234196 
1 1 1   29   12   10 o   5.8584   1.8710   4.0795   2.9218   6.7000   4.3926   2.0000   3.9130   7.3907   2.2850   5.3185   2.1033 2.072222 3.105670 
1 1 1   29   12   11 o   9.2918   2.4310   11.000   5.3952   0.0000   0.0000   11.000   5.3952  ?   ?    9.2918   2.4310 0.000000 2.430961 
1 1 1   29   12   12 o   32.327   3.4152  134.700   25.676   0.0000   0.0000  134.700   25.676  ?   ?    32.327   3.4152 0.000000 3.415243 
1 1 1   29   12   13 o   16.394   2.6054   34.000   9.7483   0.0000   0.0000   34.000   9.7483  ?   ?    16.394   2.6054 0.000000 2.605361 
1 1 1   29   12   14 o   28.385   3.1570  103.300   20.802   0.0000   0.0000  103.300   20.802  ?   ?    28.385   3.1570 0.000000 3.157024 
1 1 1   29   12   15 o   14.781   2.5741   27.800   8.6582   0.0000   0.0000   27.800   8.6582  ?   ?    14.781   2.5741 0.000000 2.574136 
1 1 1   29   12   16 o   18.680   2.7163   44.400   11.631   0.0000   0.0000   44.400   11.631  ?   ?    18.680   2.7163 0.000000 2.716321 
1 1 1   29   12   17 o   5.8745   2.1557   3.5000   3.9177   0.0000   0.0000   3.5000   3.9177  ?   ?    5.8745   2.1557 0.000000 2.155674 
1 1 1   29   12   18 o   26.832   3.1479   93.800   19.566   0.0000   0.0000   93.800   19.566  ?   ?    26.832   3.1479 0.000000 3.147882 
1 1 1   29   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   12   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13    0 o   28.302   3.1412  100.900   20.331  100.900   20.331  100.900   20.331   28.302   3.1412   28.302   3.1412 0.000000 0.000000 
1 1 1   29   13    1 o   32.894   2.2464  132.545   17.344  151.300   24.597  114.000   24.460   34.651   3.0368   29.700   3.5584 4.950424 4.678115 
1 1 1   29   13    2 o   17.358   1.7663   36.655   7.1388   41.600   10.090   31.700   10.101   18.290   2.3937   15.775   2.8150 2.515491 3.695148 
1 1 1   29   13    3 o   9.2818   1.7382   10.694   3.6697   9.1000   5.1800   12.300   5.1996   8.5051   2.4474   9.8510   2.2803 -1.345903 3.345124 
1 1 1   29   13    4 o   17.530   1.7701   37.393   7.2269   39.600   10.238   35.200   10.203   17.793   2.5061   16.692   2.6793 1.100777 3.668643 
1 1 1   29   13    5 o   25.567   1.9777   79.636   11.847   71.900   16.686   87.500   16.823   23.794   3.0392   26.448   2.7331 -2.653666 4.087369 
1 1 1   29   13    6 o   21.780   1.8917   57.764   9.6325   54.600   13.653   60.900   13.592   20.776   2.8586   22.051   2.6643 -1.274818 3.907686 
1 1 1   29   13    7 o   6.7550   1.7916   5.7000   2.9045   0.7000   4.1076   10.700   4.1076   4.9865   2.0850   9.2369   1.9447 -4.250363 2.851155 
1 1 1   29   13    8 o   15.255   1.7636   28.412   6.2360   30.800   8.7968   26.000   8.8413   15.663   2.4594   14.272   2.7227 1.390890 3.669049 
1 1 1   29   13    9 o   11.526   1.7730   16.374   4.6710   16.000   6.8456   16.700   6.3896   11.164   2.6385   11.460   2.4362 -0.2959089 3.591272 
1 1 1   29   13   10 o   23.023   2.0695   64.927   11.131   60.700   16.446   68.500   15.120   21.662   3.3211   23.316   2.8024 -1.653530 4.345475 
1 1 1   29   13   11 o   9.7705   2.4728   12.200   5.7101   0.0000   0.0000   12.200   5.7101  ?   ?    9.7705   2.4728 0.000000 2.472786 
1 1 1   29   13   12 o   17.946   2.6522   40.700   10.900   0.0000   0.0000   40.700   10.900  ?   ?    17.946   2.6522 0.000000 2.652160 
1 1 1   29   13   13 o   5.6429   2.1544   2.8000   3.9944   0.0000   0.0000   2.8000   3.9944  ?   ?    5.6429   2.1544 0.000000 2.154401 
1 1 1   29   13   14 o   10.517   2.4856   14.200   6.0752   0.0000   0.0000   14.200   6.0752  ?   ?    10.517   2.4856 0.000000 2.485605 
1 1 1   29   13   15 o   18.157   2.6839   41.900   11.160   0.0000   0.0000   41.900   11.160  ?   ?    18.157   2.6839 0.000000 2.683860 
1 1 1   29   13   16 o   15.050   2.7005   29.100   9.2444   0.0000   0.0000   29.100   9.2444  ?   ?    15.050   2.7005 0.000000 2.700500 
1 1 1   29   13   17 o   6.3860   2.2944   4.4000   4.4065   0.0000   0.0000   4.4000   4.4065  ?   ?    6.3860   2.2944 0.000000 2.294447 
1 1 1   29   13   18 o   9.8690   2.5733   12.700   6.0588   0.0000   0.0000   12.700   6.0588  ?   ?    9.8690   2.5733 0.000000 2.573316 
1 1 1   29   13   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   13   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14    0 o   23.142   2.9038   67.800   15.191   67.800   15.191   67.800   15.191   23.142   2.9038   23.142   2.9038 0.000000 0.000000 
1 1 1   29   14    1 o   8.3821   1.7438   8.7647   3.3392   10.100   4.7878   7.5000   4.6595   8.9276   2.2669   7.7794   2.3434 1.148108 3.260443 
1 1 1   29   14    2 o   22.438   1.9284   61.339   10.118   67.600   14.265   55.000   14.354   23.260   2.6441   20.784   3.0125 2.475887 4.008314 
1 1 1   29   14    3 o   26.480   2.0493   85.589   12.714   77.900   17.968   93.300   17.993   24.715   3.1503   27.259   2.8369 -2.543262 4.239377 
1 1 1   29   14    4 f   7.3892   1.7573   6.8382   3.0215   8.0000   4.2067   5.6000   4.3427   7.9737   2.1743   6.9051   2.2866 1.068632 3.155278 
1 1 1   29   14    5 o   5.0632   1.6544   2.9761   2.2760   6.2000   3.5380   0.7000   2.9729   7.0601   2.0200   4.3310   1.7891 2.729138 2.698440 
1 1 1   29   14    6 o   14.282   1.7185   24.900   5.6793   26.600   8.0317   23.200   8.0317   14.548   2.4232   13.502   2.6136 1.046120 3.564074 
1 1 1   29   14    7 o   29.411   2.1679  105.950   14.950  110.200   21.269  101.800   21.018   29.458   3.1044   28.236   3.2093 1.221895 4.465021 
1 1 1   29   14    8 o   11.322   1.7811   15.816   4.6046   13.500   6.6089   18.000   6.4190   10.252   2.6946   11.929   2.3623 -1.677122 3.583474 
1 1 1   29   14    9 o   15.525   1.7867   29.447   6.4305   27.900   9.2407   30.900   8.9544   14.782   2.7485   15.668   2.5046 -0.8859568 3.718489 
1 1 1   29   14   10 o   5.8418   2.0161   3.8000   3.3774   0.0000   0.0000   3.8000   3.3774  ?   ?    5.8418   2.0161 0.000000 2.016134 
1 1 1   29   14   11 o   20.796   2.7239   54.600   13.054   0.0000   0.0000   54.600   13.054  ?   ?    20.796   2.7239 0.000000 2.723876 
1 1 1   29   14   12 o   20.739   2.7312   54.400   13.050   0.0000   0.0000   54.400   13.050  ?   ?    20.739   2.7312 0.000000 2.731164 
1 1 1   29   14   13 o   41.660   4.1792  234.200   40.558   0.0000   0.0000  234.200   40.558  ?   ?    41.660   4.1792 0.000000 4.179208 
1 1 1   29   14   14 o   18.123   2.6191   41.600   10.883   0.0000   0.0000   41.600   10.883  ?   ?    18.123   2.6191 0.000000 2.619061 
1 1 1   29   14   15 f   24.756   2.9737   78.600   17.036   0.0000   0.0000   78.600   17.036  ?   ?    24.756   2.9737 0.000000 2.973671 
1 1 1   29   14   16 o   18.944   2.7853   46.100   12.088   0.0000   0.0000   46.100   12.088  ?   ?    18.944   2.7853 0.000000 2.785340 
1 1 1   29   14   17 f   30.721   3.4608  125.500   24.669   0.0000   0.0000  125.500   24.669  ?   ?    30.721   3.4608 0.000000 3.460823 
1 1 1   29   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   14   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15    0 o   6.9418   2.9152   8.2000   4.8044   8.2000   4.8044   8.2000   4.8044   6.9418   2.9152   6.9418   2.9152 0.000000 0.000000 
1 1 1   29   15    1 o   12.367   1.6907   18.727   4.8080   15.300   6.7772   22.200   6.8222   10.917   2.6545   13.321   2.2489 -2.403278 3.479132 
1 1 1   29   15    2 o   9.7858   1.7150   11.850   3.8186   9.3000   5.4003   14.400   5.4003   8.5964   2.5063   10.684   2.2134 -2.087397 3.343714 
1 1 1   29   15    3 o   15.209   1.7187   28.192   6.0642   30.900   8.5883   25.500   8.5638   15.718   2.3892   14.157   2.6594 1.560825 3.575041 
1 1 1   29   15    4 o   24.398   1.9880   72.616   11.354   68.900   16.092   76.300   16.022   23.299   2.9943   24.635   2.8041 -1.336210 4.102339 
1 1 1   29   15    5 o   28.688   2.1344  100.699   14.355  101.000   20.352  100.400   20.251   28.192   3.1088   28.112   3.1024 0.8060646E-01 4.391991 
1 1 1   29   15    6 o   21.518   1.8529   56.344   9.3231   64.500   13.316   48.500   13.058   22.760   2.5199   19.525   2.9219 3.234524 3.858455 
1 1 1   29   15    7 o   14.695   1.7550   26.384   5.9693   23.500   8.4931   29.200   8.3914   13.540   2.7501   15.258   2.4089 -1.717875 3.655968 
1 1 1   29   15    8 o   38.629   2.5740  185.122   23.344  188.800   33.141  181.500   32.888   38.024   3.7394   37.225   3.7946 0.7994118 5.327438 
1 1 1   29   15    9 o   18.326   2.1057   41.406   8.9465   25.700   13.109   55.100   12.240   13.789   3.8685   20.996   2.5192 -7.206432 4.616499 
1 1 1   29   15   10 o   20.999   2.7329   55.700   13.230   0.0000   0.0000   55.700   13.230  ?   ?    20.999   2.7329 0.000000 2.732884 
1 1 1   29   15   11 o   10.491   2.4634   14.100   5.9982   0.0000   0.0000   14.100   5.9982  ?   ?    10.491   2.4634 0.000000 2.463404 
1 1 1   29   15   12 o   17.075   2.5875   36.900   10.106   0.0000   0.0000   36.900   10.106  ?   ?    17.075   2.5875 0.000000 2.587525 
1 1 1   29   15   13 o   20.966   2.7512   55.800   13.292   0.0000   0.0000   55.800   13.292  ?   ?    20.966   2.7512 0.000000 2.751247 
1 1 1   29   15   14 f   22.940   2.8778   67.300   15.246   0.0000   0.0000   67.300   15.246  ?   ?    22.940   2.8778 0.000000 2.877807 
1 1 1   29   15   15 o   24.599   3.0175   78.200   17.160   0.0000   0.0000   78.200   17.160  ?   ?    24.599   3.0175 0.000000 3.017451 
1 1 1   29   15   16 o   17.015   2.7453   37.400   10.655   0.0000   0.0000   37.400   10.655  ?   ?    17.015   2.7453 0.000000 2.745265 
1 1 1   29   15   17 o   21.985   2.9699   63.200   15.024   0.0000   0.0000   63.200   15.024  ?   ?    21.985   2.9699 0.000000 2.969932 
1 1 1   29   15   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   15   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16    0 o   31.437   3.3162  124.700   23.991  124.700   23.991  124.700   23.991   31.437   3.3162   31.437   3.3162 0.000000 0.000000 
1 1 1   29   16    1 o   15.508   1.6768   29.258   6.0428   19.900   8.5043   38.800   8.5879   12.388   2.9496   17.754   2.0883 -5.366204 3.614017 
1 1 1   29   16    2 o   12.976   1.7400   20.629   5.1973   21.700   7.2561   19.500   7.4479   13.106   2.4342   12.348   2.6346 0.7578726 3.586964 
1 1 1   29   16    3 o   12.722   1.7180   19.826   5.0291   20.700   7.0111   18.900   7.2180   12.801   2.4078   12.164   2.5921 0.6364784 3.537888 
1 1 1   29   16    4 o   24.832   2.0001   75.259   11.629   77.300   16.410   73.200   16.481   24.761   2.8592   24.031   2.9673 0.7299843 4.120633 
1 1 1   29   16    5 o  ?   ?   -5.2341   0.6889   1.3000   1.3362  -7.6000   0.8040   3.5558   1.2650  ?   ?  0.000000 1.264967 
1 1 1   29   16    6 o   10.678   1.7613   14.097   4.2864   14.400   6.0914   13.800   6.0327   10.615   2.4756   10.387   2.4916 0.2281189 3.512388 
1 1 1   29   16    7 o   11.314   1.7239   15.767   4.4603   21.800   6.4691   10.300   6.1581   13.217   2.1464   9.0243   2.6885 4.192730 3.440231 
1 1 1   29   16    8 o   30.624   2.1900  115.162   15.732  124.600   22.881  106.700   21.666   31.243   3.1442   28.828   3.2387 2.414587 4.513891 
1 1 1   29   16    9 o   5.0488   1.8822   2.4000   3.0082   0.0000   0.0000   2.4000   3.0082  ?   ?    5.0488   1.8822 0.000000 1.882222 
1 1 1   29   16   10 o   10.227   2.4428   13.400   5.8182   0.0000   0.0000   13.400   5.8182  ?   ?    10.227   2.4428 0.000000 2.442775 
1 1 1   29   16   11 o   30.093   3.2551  116.800   22.763   0.0000   0.0000  116.800   22.763  ?   ?    30.093   3.2551 0.000000 3.255146 
1 1 1   29   16   12 o   17.396   2.6189   38.400   10.424   0.0000   0.0000   38.400   10.424  ?   ?    17.396   2.6189 0.000000 2.618883 
1 1 1   29   16   13 o   10.009   2.4401   12.900   5.7146   0.0000   0.0000   12.900   5.7146  ?   ?    10.009   2.4401 0.000000 2.440052 
1 1 1   29   16   14 o   22.471   2.8432   64.800   14.749   0.0000   0.0000   64.800   14.749  ?   ?    22.471   2.8432 0.000000 2.843187 
1 1 1   29   16   15 o   15.877   2.6616   32.500   9.6256   0.0000   0.0000   32.500   9.6256  ?   ?    15.877   2.6616 0.000000 2.661583 
1 1 1   29   16   16 o   8.9523   2.6384   10.400   5.9561   0.0000   0.0000   10.400   5.9561  ?   ?    8.9523   2.6384 0.000000 2.638399 
1 1 1   29   16   17 o   4.9956   2.0871   0.9000   4.1114   0.0000   0.0000   0.9000   4.1114  ?   ?    4.9956   2.0871 0.000000 2.087104 
1 1 1   29   16   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   16   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17    0 f   4.6417   2.3830   3.8000   3.3233   3.8000   3.3233   3.8000   3.3233   4.6417   2.3830   4.6417   2.3830 0.000000 0.000000 
1 1 1   29   17    1 o   10.248   1.7039   12.971   3.9787   8.7000   5.4887   17.700   5.7757   8.3536   2.5495   11.889   2.1359 -3.535020 3.325912 
1 1 1   29   17    2 o   9.0476   1.8177   10.225   3.7486   13.200   5.1977   7.0000   5.4115   10.212   2.2189   7.6762   2.5530 2.535538 3.382528 
1 1 1   29   17    3 o   13.256   1.7661   21.557   5.3909   14.700   7.6852   28.200   7.5641   10.657   2.9523   15.057   2.1917 -4.400408 3.676924 
1 1 1   29   17    4 o   19.001   1.8383   44.045   8.1452   38.900   11.570   49.100   11.469   17.431   2.9137   19.812   2.5077 -2.380684 3.844215 
1 1 1   29   17    5 o   19.807   1.7490   47.697   8.0965   60.800   11.612   35.300   11.295   22.186   2.2475   16.545   3.0016 5.641460 3.749830 
1 1 1   29   17    6 o   29.635   2.1941  107.901   15.245  106.400   21.568  109.400   21.551   28.793   3.2278   29.238   3.1723 -0.4453354 4.525678 
1 1 1   29   17    7 o   14.256   1.7483   24.883   5.7619   25.700   8.2369   24.100   8.0630   14.226   2.5455   13.754   2.5773 0.4719439 3.622413 
1 1 1   29   17    8 o   21.381   2.7696   57.900   13.654   0.0000   0.0000   57.900   13.654  ?   ?    21.381   2.7696 0.000000 2.769572 
1 1 1   29   17    9 o   5.7266   2.0699   3.4000   3.5926   0.0000   0.0000   3.4000   3.5926  ?   ?    5.7266   2.0699 0.000000 2.069895 
1 1 1   29   17   10 o   15.384   2.5890   30.100   9.0708   0.0000   0.0000   30.100   9.0708  ?   ?    15.384   2.5890 0.000000 2.588958 
1 1 1   29   17   11 f   20.770   2.7551   54.900   13.179   0.0000   0.0000   54.900   13.179  ?   ?    20.770   2.7551 0.000000 2.755108 
1 1 1   29   17   12 o   18.941   2.7050   45.800   11.755   0.0000   0.0000   45.800   11.755  ?   ?    18.941   2.7050 0.000000 2.705026 
1 1 1   29   17   13 o   9.7932   2.4491   12.400   5.6489   0.0000   0.0000   12.400   5.6489  ?   ?    9.7932   2.4491 0.000000 2.449114 
1 1 1   29   17   14 f   10.520   2.5188   14.400   6.1740   0.0000   0.0000   14.400   6.1740  ?   ?    10.520   2.5188 0.000000 2.518805 
1 1 1   29   17   15 o   11.941   2.7238   18.800   7.5104   0.0000   0.0000   18.800   7.5104  ?   ?    11.941   2.7238 0.000000 2.723822 
1 1 1   29   17   16 o   17.210   2.7978   38.900   10.979   0.0000   0.0000   38.900   10.979  ?   ?    17.210   2.7978 0.000000 2.797772 
1 1 1   29   17   17 o   23.053   3.0488   71.100   16.189   0.0000   0.0000   71.100   16.189  ?   ?    23.053   3.0488 0.000000 3.048786 
1 1 1   29   17   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   17   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18    0 o   6.7674   2.7655   7.7000   4.3519   7.7000   4.3519   7.7000   4.3519   6.7674   2.7655   6.7674   2.7655 0.000000 0.000000 
1 1 1   29   18    1 o   28.001   2.1077   96.083   13.834   85.600   19.548  106.600   19.580   25.761   3.2885   29.048   2.8931 -3.286430 4.379959 
1 1 1   29   18    2 o   12.635   1.7669   19.629   5.1275   18.800   7.3883   20.400   7.1219   12.092   2.6598   12.668   2.4695 -0.5761509 3.629416 
1 1 1   29   18    3 o   30.280   2.2206  112.755   15.767  100.600   22.302  124.900   22.294   27.814   3.4713   31.340   3.0512 -3.526300 4.621636 
1 1 1   29   18    4 o   33.475   2.3872  138.562   18.746  130.100   26.610  146.900   26.414   31.516   3.6427   33.748   3.3592 -2.232105 4.955144 
1 1 1   29   18    5 f   17.070   1.7866   35.587   7.0946   37.200   10.074   34.000   9.9929   17.168   2.5636   16.351   2.6811 0.8171539 3.709459 
1 1 1   29   18    6 o   20.533   1.8355   51.434   8.8057   56.300   12.609   46.800   12.303   21.174   2.5748   19.178   2.7993 1.996258 3.803322 
1 1 1   29   18    7 o   16.021   2.5561   32.500   9.3449   0.0000   0.0000   32.500   9.3449  ?   ?    16.021   2.5561 0.000000 2.556104 
1 1 1   29   18    8 o   10.070   2.4192   13.000   5.6807   0.0000   0.0000   13.000   5.6807  ?   ?    10.070   2.4192 0.000000 2.419235 
1 1 1   29   18    9 o   14.796   2.6289   28.000   8.8482   0.0000   0.0000   28.000   8.8482  ?   ?    14.796   2.6289 0.000000 2.628896 
1 1 1   29   18   10 o   6.8853   2.2441   5.7000   4.1889   0.0000   0.0000   5.7000   4.1889  ?   ?    6.8853   2.2441 0.000000 2.244070 
1 1 1   29   18   11 o   28.739   3.1986  107.500   21.338   0.0000   0.0000  107.500   21.338  ?   ?    28.739   3.1986 0.000000 3.198635 
1 1 1   29   18   12 o   15.270   2.5640   29.900   8.9175   0.0000   0.0000   29.900   8.9175  ?   ?    15.270   2.5640 0.000000 2.563956 
1 1 1   29   18   13 o   33.612   3.6403  152.500   28.431   0.0000   0.0000  152.500   28.431  ?   ?    33.612   3.6403 0.000000 3.640291 
1 1 1   29   18   14 o   3.0209   1.3617  -1.0000   2.0522   0.0000   0.0000  -1.0000   2.0522  ?   ?    3.0209   1.3617 0.000000 1.361745 
1 1 1   29   18   15 o   9.1424   2.6707   11.000   6.1268   0.0000   0.0000   11.000   6.1268  ?   ?    9.1424   2.6707 0.000000 2.670693 
1 1 1   29   18   16 o   19.392   2.9460   50.200   13.065   0.0000   0.0000   50.200   13.065  ?   ?    19.392   2.9460 0.000000 2.945973 
1 1 1   29   18   17 o   15.691   2.8216   33.000   10.070   0.0000   0.0000   33.000   10.070  ?   ?    15.691   2.8216 0.000000 2.821629 
1 1 1   29   18   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   18   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19    0 o   34.428   3.5026  150.500   27.800  150.500   27.800  150.500   27.800   34.428   3.5026   34.428   3.5026 0.000000 0.000000 
1 1 1   29   19    1 o   12.200   1.7877   18.354   4.9975   18.300   7.3434   18.400   6.8207   11.913   2.6758   12.003   2.4881 -0.8993816E-01 3.653868 
1 1 1   29   19    2 o   6.8969   1.8128   5.9653   2.9910   7.5000   4.3591   4.6000   4.1116   7.7340   2.2509   6.4071   2.2238 1.326851 3.164090 
1 1 1   29   19    3 o   13.332   1.7820   21.848   5.4693   19.200   7.8877   24.300   7.5904   12.167   2.8031   13.866   2.4055 -1.699121 3.693764 
1 1 1   29   19    4 o   19.167   1.8253   44.874   8.1618   45.900   11.694   43.900   11.397   19.038   2.6750   18.615   2.6692 0.4233246 3.778917 
1 1 1   29   19    5 o   8.9743   1.7254   10.041   3.5235   12.100   5.2907   8.4000   4.7234   9.7297   2.3330   8.1523   2.3345 1.577404 3.300392 
1 1 1   29   19    6 o   26.161   3.0226   87.700   18.329   0.0000   0.0000   87.700   18.329  ?   ?    26.161   3.0226 0.000000 3.022610 
1 1 1   29   19    7 o   14.955   2.5509   28.500   8.6851   0.0000   0.0000   28.500   8.6851  ?   ?    14.955   2.5509 0.000000 2.550864 
1 1 1   29   19    8 o   26.157   3.0296   88.100   18.366   0.0000   0.0000   88.100   18.366  ?   ?    26.157   3.0296 0.000000 3.029637 
1 1 1   29   19    9 o   15.597   2.5779   31.100   9.1630   0.0000   0.0000   31.100   9.1630  ?   ?    15.597   2.5779 0.000000 2.577936 
1 1 1   29   19   10 o   24.371   2.9485   76.700   16.623   0.0000   0.0000   76.700   16.623  ?   ?    24.371   2.9485 0.000000 2.948540 
1 1 1   29   19   11 o   24.981   2.9939   81.100   17.309   0.0000   0.0000   81.100   17.309  ?   ?    24.981   2.9939 0.000000 2.993929 
1 1 1   29   19   12 o   24.822   3.0139   80.600   17.303   0.0000   0.0000   80.600   17.303  ?   ?    24.822   3.0139 0.000000 3.013855 
1 1 1   29   19   13 o   10.064   2.5202   13.300   5.9756   0.0000   0.0000   13.300   5.9756  ?   ?    10.064   2.5202 0.000000 2.520154 
1 1 1   29   19   14 o   23.974   3.1085   76.800   17.183   0.0000   0.0000   76.800   17.183  ?   ?    23.974   3.1085 0.000000 3.108472 
1 1 1   29   19   15 o   15.499   2.7892   32.000   9.8330   0.0000   0.0000   32.000   9.8330  ?   ?    15.499   2.7892 0.000000 2.789194 
1 1 1   29   19   16 o   15.181   2.7487   30.800   9.4907   0.0000   0.0000   30.800   9.4907  ?   ?    15.181   2.7487 0.000000 2.748672 
1 1 1   29   19   17 o   12.528   2.7721   21.400   7.9840   0.0000   0.0000   21.400   7.9840  ?   ?    12.528   2.7721 0.000000 2.772121 
1 1 1   29   19   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   19   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20    0 o   23.749   3.0324   72.100   16.248   72.100   16.248   72.100   16.248   23.749   3.0324   23.749   3.0324 0.000000 0.000000 
1 1 1   29   20    1 o   20.896   1.8966   53.486   9.2564   54.400   13.191   52.600   12.992   20.667   2.7729   20.313   2.7817 0.3541679 3.927704 
1 1 1   29   20    2 o   33.123   2.3632  136.170   18.362  133.000   26.050  139.300   25.886   31.813   3.5270   32.674   3.4052 -0.8604813 4.902537 
1 1 1   29   20    3 o   19.702   1.8524   47.538   8.5172   49.700   12.226   45.500   11.872   19.775   2.6878   18.881   2.7431 0.8936043 3.840444 
1 1 1   29   20    4 o   8.7784   1.7508   9.6461   3.5019   15.000   5.3009   5.5000   4.6648   10.889   2.1379   6.9029   2.3702 3.985919 3.191930 
1 1 1   29   20    5 o   11.870   2.4782   18.100   6.7218   0.0000   0.0000   18.100   6.7218  ?   ?    11.870   2.4782 0.000000 2.478229 
1 1 1   29   20    6 o   7.5803   2.2842   7.2000   4.4264   0.0000   0.0000   7.2000   4.4264  ?   ?    7.5803   2.2842 0.000000 2.284167 
1 1 1   29   20    7 f   16.836   2.5929   36.200   9.9772   0.0000   0.0000   36.200   9.9772  ?   ?    16.836   2.5929 0.000000 2.592864 
1 1 1   29   20    8 o   14.164   2.5561   25.800   8.2344   0.0000   0.0000   25.800   8.2344  ?   ?    14.164   2.5561 0.000000 2.556069 
1 1 1   29   20    9 o   22.305   2.8544   64.300   14.689   0.0000   0.0000   64.300   14.689  ?   ?    22.305   2.8544 0.000000 2.854421 
1 1 1   29   20   10 o   6.1896   2.0839   4.5000   3.6048   0.0000   0.0000   4.5000   3.6048  ?   ?    6.1896   2.0839 0.000000 2.083921 
1 1 1   29   20   11 o   16.561   2.6473   35.600   10.004   0.0000   0.0000   35.600   10.004  ?   ?    16.561   2.6473 0.000000 2.647310 
1 1 1   29   20   12 o   14.463   2.6340   27.400   8.6643   0.0000   0.0000   27.400   8.6643  ?   ?    14.463   2.6340 0.000000 2.634027 
1 1 1   29   20   13 o   19.320   2.7873   49.200   12.348   0.0000   0.0000   49.200   12.348  ?   ?    19.320   2.7873 0.000000 2.787297 
1 1 1   29   20   14 o   8.7856   2.6397   10.200   5.9179   0.0000   0.0000   10.200   5.9179  ?   ?    8.7856   2.6397 0.000000 2.639712 
1 1 1   29   20   15 o   9.5064   2.6858   12.200   6.2953   0.0000   0.0000   12.200   6.2953  ?   ?    9.5064   2.6858 0.000000 2.685764 
1 1 1   29   20   16 o   13.979   2.7163   26.400   8.6432   0.0000   0.0000   26.400   8.6432  ?   ?    13.979   2.7163 0.000000 2.716254 
1 1 1   29   20   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   20   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21    0 o   40.449   3.9942  212.200   37.297  212.200   37.297  212.200   37.297   40.449   3.9942   40.449   3.9942 0.000000 0.000000 
1 1 1   29   21    1 o   18.104   1.8267   40.242   7.7025   42.200   11.063   38.400   10.730   18.176   2.6561   17.294   2.7172 0.8815842 3.799745 
1 1 1   29   21    2 o   4.7173   1.7746   2.0440   2.6858   1.4000   4.1715   2.5000   3.5100   5.2128   2.1325   5.2997   2.0205 -0.8689594E-01 2.937640 
1 1 1   29   21    3 o   20.793   1.7952   52.934   8.7282   76.800   12.539   30.500   12.157   24.890   2.1546   14.984   3.4992 9.906161 4.109391 
1 1 1   29   21    4 o   8.2984   2.3607   8.8000   4.8464   0.0000   0.0000   8.8000   4.8464  ?   ?    8.2984   2.3607 0.000000 2.360741 
1 1 1   29   21    5 o   7.3174   2.2253   6.7000   4.1872   0.0000   0.0000   6.7000   4.1872  ?   ?    7.3174   2.2253 0.000000 2.225339 
1 1 1   29   21    6 o   30.962   3.3940  127.200   24.408   0.0000   0.0000  127.200   24.408  ?   ?    30.962   3.3940 0.000000 3.394021 
1 1 1   29   21    7 o   14.695   2.5865   27.900   8.6471   0.0000   0.0000   27.900   8.6471  ?   ?    14.695   2.5865 0.000000 2.586457 
1 1 1   29   21    8 o   17.634   2.6578   40.200   10.723   0.0000   0.0000   40.200   10.723  ?   ?    17.634   2.6578 0.000000 2.657797 
1 1 1   29   21    9 o   16.410   2.6078   34.900   9.7672   0.0000   0.0000   34.900   9.7672  ?   ?    16.410   2.6078 0.000000 2.607830 
1 1 1   29   21   10 o   16.619   2.6422   36.000   10.022   0.0000   0.0000   36.000   10.022  ?   ?    16.619   2.6422 0.000000 2.642214 
1 1 1   29   21   11 o   6.4972   2.1677   5.1000   3.9002   0.0000   0.0000   5.1000   3.9002  ?   ?    6.4972   2.1677 0.000000 2.167684 
1 1 1   29   21   12 o   22.257   2.9407   66.000   15.077   0.0000   0.0000   66.000   15.077  ?   ?    22.257   2.9407 0.000000 2.940663 
1 1 1   29   21   13 o   22.577   3.0790   69.100   15.987   0.0000   0.0000   69.100   15.987  ?   ?    22.577   3.0790 0.000000 3.078962 
1 1 1   29   21   14 o   14.701   2.7803   29.200   9.2983   0.0000   0.0000   29.200   9.2983  ?   ?    14.701   2.7803 0.000000 2.780325 
1 1 1   29   21   15 o   10.130   2.8725   14.200   7.1873   0.0000   0.0000   14.200   7.1873  ?   ?    10.130   2.8725 0.000000 2.872530 
1 1 1   29   21   16 o   4.8749   2.1131   0.0000   4.4950   0.0000   0.0000   0.0000   4.4950  ?   ?    4.8749   2.1131 0.000000 2.113118 
1 1 1   29   21   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   21   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22    0 o   19.648   2.9340   50.300   12.719   50.300   12.719   50.300   12.719   19.648   2.9340   19.648   2.9340 0.000000 0.000000 
1 1 1   29   22    1 o   4.3587   1.7220   1.3535   2.6203   0.7000   3.5885   2.1000   3.8351   4.6670   1.9499   5.2791   2.0840 -0.6121244 2.853945 
1 1 1   29   22    2 o   14.692   1.7697   26.659   6.0162   31.500   8.5005   21.800   8.5159   15.738   2.3601   12.823   2.8825 2.915021 3.725470 
1 1 1   29   22    3 o   19.879   2.8424   51.400   12.962   0.0000   0.0000   51.400   12.962  ?   ?    19.879   2.8424 0.000000 2.842350 
1 1 1   29   22    4 o   18.594   2.6917   44.700   11.475   0.0000   0.0000   44.700   11.475  ?   ?    18.594   2.6917 0.000000 2.691705 
1 1 1   29   22    5 o   28.974   3.2857  111.900   22.082   0.0000   0.0000  111.900   22.082  ?   ?    28.974   3.2857 0.000000 3.285660 
1 1 1   29   22    6 o   7.5892   2.3289   7.3000   4.5727   0.0000   0.0000   7.3000   4.5727  ?   ?    7.5892   2.3289 0.000000 2.328914 
1 1 1   29   22    7 o   27.703   3.1977  102.500   20.534   0.0000   0.0000  102.500   20.534  ?   ?    27.703   3.1977 0.000000 3.197664 
1 1 1   29   22    8 o   8.7044   2.3860   9.9000   5.0503   0.0000   0.0000   9.9000   5.0503  ?   ?    8.7044   2.3860 0.000000 2.386001 
1 1 1   29   22    9 o   20.105   2.7831   53.200   12.858   0.0000   0.0000   53.200   12.858  ?   ?    20.105   2.7831 0.000000 2.783096 
1 1 1   29   22   10 o   7.3034   2.2413   6.8000   4.2351   0.0000   0.0000   6.8000   4.2351  ?   ?    7.3034   2.2413 0.000000 2.241301 
1 1 1   29   22   11 o   4.6220   1.8288   1.6000   2.9597   0.0000   0.0000   1.6000   2.9597  ?   ?    4.6220   1.8288 0.000000 1.828813 
1 1 1   29   22   12 f   3.6535   1.6765  -2.1000   3.2888   0.0000   0.0000  -2.1000   3.2888  ?   ?    3.6535   1.6765 0.000000 1.676497 
1 1 1   29   22   13 o   24.416   3.2080   82.600   18.049   0.0000   0.0000   82.600   18.049  ?   ?    24.416   3.2080 0.000000 3.208049 
1 1 1   29   22   14 o   11.707   2.7405   18.800   7.4422   0.0000   0.0000   18.800   7.4422  ?   ?    11.707   2.7405 0.000000 2.740483 
1 1 1   29   22   15 o   12.421   2.8999   21.500   8.3510   0.0000   0.0000   21.500   8.3510  ?   ?    12.421   2.8999 0.000000 2.899868 
1 1 1   29   22   16 o   5.2022   2.0790   2.1000   3.8608   0.0000   0.0000   2.1000   3.8608  ?   ?    5.2022   2.0790 0.000000 2.078996 
1 1 1   29   22   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   22   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23    0 o   20.491   2.9060   54.700   13.245   54.700   13.245   54.700   13.245   20.491   2.9060   20.491   2.9060 0.000000 0.000000 
1 1 1   29   23    1 o   8.3553   1.9077   8.9177   3.6812   5.8000   4.9720   12.700   5.4763   7.0237   2.4450   9.8590   2.3795 -2.835361 3.411706 
1 1 1   29   23    2 o   11.460   2.5668   17.300   6.7739   0.0000   0.0000   17.300   6.7739  ?   ?    11.460   2.5668 0.000000 2.566850 
1 1 1   29   23    3 o   22.976   2.9902   69.900   15.839   0.0000   0.0000   69.900   15.839  ?   ?    22.976   2.9902 0.000000 2.990228 
1 1 1   29   23    4 o   11.370   2.5885   17.100   6.7940   0.0000   0.0000   17.100   6.7940  ?   ?    11.370   2.5885 0.000000 2.588548 
1 1 1   29   23    5 o   6.5300   2.3032   4.9000   4.4208   0.0000   0.0000   4.9000   4.4208  ?   ?    6.5300   2.3032 0.000000 2.303246 
1 1 1   29   23    6 o   21.633   2.8984   62.000   14.434   0.0000   0.0000   62.000   14.434  ?   ?    21.633   2.8984 0.000000 2.898402 
1 1 1   29   23    7 o   7.3009   2.3552   6.7000   4.6209   0.0000   0.0000   6.7000   4.6209  ?   ?    7.3009   2.3552 0.000000 2.355172 
1 1 1   29   23    8 o   8.4174   2.3787   9.3000   4.9373   0.0000   0.0000   9.3000   4.9373  ?   ?    8.4174   2.3787 0.000000 2.378668 
1 1 1   29   23    9 o   11.730   2.5835   18.400   6.9629   0.0000   0.0000   18.400   6.9629  ?   ?    11.730   2.5835 0.000000 2.583546 
1 1 1   29   23   10 o   9.9151   2.4259   13.100   5.6332   0.0000   0.0000   13.100   5.6332  ?   ?    9.9151   2.4259 0.000000 2.425898 
1 1 1   29   23   11 o   7.1257   2.3556   6.4000   4.6097   0.0000   0.0000   6.4000   4.6097  ?   ?    7.1257   2.3556 0.000000 2.355633 
1 1 1   29   23   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   13 o   13.514   2.9051   25.300   8.9949   0.0000   0.0000   25.300   8.9949  ?   ?    13.514   2.9051 0.000000 2.905113 
1 1 1   29   23   14 o   9.2313   2.7075   11.700   6.2855   0.0000   0.0000   11.700   6.2855  ?   ?    9.2313   2.7075 0.000000 2.707470 
1 1 1   29   23   15 o   15.007   2.7903   31.000   9.5239   0.0000   0.0000   31.000   9.5239  ?   ?    15.007   2.7903 0.000000 2.790267 
1 1 1   29   23   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   23   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24    0 o   16.907   3.2977   39.300   11.730   39.300   11.730   39.300   11.730   16.907   3.2977   16.907   3.2977 0.000000 0.000000 
1 1 1   29   24    1 o   16.004   2.7693   34.000   10.087   0.0000   0.0000   34.000   10.087  ?   ?    16.004   2.7693 0.000000 2.769251 
1 1 1   29   24    2 o   20.635   2.8578   56.500   13.551   0.0000   0.0000   56.500   13.551  ?   ?    20.635   2.8578 0.000000 2.857793 
1 1 1   29   24    3 o   9.8782   2.5473   13.000   5.9803   0.0000   0.0000   13.000   5.9803  ?   ?    9.8782   2.5473 0.000000 2.547323 
1 1 1   29   24    4 o   11.347   2.6716   17.300   7.0397   0.0000   0.0000   17.300   7.0397  ?   ?    11.347   2.6716 0.000000 2.671595 
1 1 1   29   24    5 o   19.863   2.8955   52.900   13.181   0.0000   0.0000   52.900   13.181  ?   ?    19.863   2.8955 0.000000 2.895520 
1 1 1   29   24    6 o   13.405   2.6378   24.000   8.0523   0.0000   0.0000   24.000   8.0523  ?   ?    13.405   2.6378 0.000000 2.637772 
1 1 1   29   24    7 o   4.0996   1.7843  -0.3000   3.2313   0.0000   0.0000  -0.3000   3.2313  ?   ?    4.0996   1.7843 0.000000 1.784342 
1 1 1   29   24    8 o   4.6152   1.9792   0.2000   3.8615   0.0000   0.0000   0.2000   3.8615  ?   ?    4.6152   1.9792 0.000000 1.979164 
1 1 1   29   24    9 o   7.8750   2.5046   8.1000   5.2398   0.0000   0.0000   8.1000   5.2398  ?   ?    7.8750   2.5046 0.000000 2.504558 
1 1 1   29   24   10 o   7.6404   2.4227   7.6000   4.9058   0.0000   0.0000   7.6000   4.9058  ?   ?    7.6404   2.4227 0.000000 2.422722 
1 1 1   29   24   11 o   6.0906   2.2003   4.2000   4.0588   0.0000   0.0000   4.2000   4.0588  ?   ?    6.0906   2.2003 0.000000 2.200316 
1 1 1   29   24   12 o   4.6393   1.9872   0.3000   3.8851   0.0000   0.0000   0.3000   3.8851  ?   ?    4.6393   1.9872 0.000000 1.987249 
1 1 1   29   24   13 o   6.5177   2.4102   4.8000   4.9126   0.0000   0.0000   4.8000   4.9126  ?   ?    6.5177   2.4102 0.000000 2.410153 
1 1 1   29   24   14 o   20.210   3.0709   57.300   14.194   0.0000   0.0000   57.300   14.194  ?   ?    20.210   3.0709 0.000000 3.070888 
1 1 1   29   24   15 o   9.9437   2.7914   13.900   6.8230   0.0000   0.0000   13.900   6.8230  ?   ?    9.9437   2.7914 0.000000 2.791433 
1 1 1   29   24   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   24   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25    1 o   22.313   3.1233   68.200   16.006   0.0000   0.0000   68.200   16.006  ?   ?    22.313   3.1233 0.000000 3.123334 
1 1 1   29   25    2 o   16.809   2.8033   38.000   10.735   0.0000   0.0000   38.000   10.735  ?   ?    16.809   2.8033 0.000000 2.803296 
1 1 1   29   25    3 o   3.4331   1.5280  -0.8000   2.4955   0.0000   0.0000  -0.8000   2.4955  ?   ?    3.4331   1.5280 0.000000 1.527993 
1 1 1   29   25    4 f   4.1083   1.7949  -0.4000   3.2971   0.0000   0.0000  -0.4000   3.2971  ?   ?    4.1083   1.7949 0.000000 1.794892 
1 1 1   29   25    5 o   10.054   2.5145   13.600   5.9544   0.0000   0.0000   13.600   5.9544  ?   ?    10.054   2.5145 0.000000 2.514537 
1 1 1   29   25    6 o   4.0539   1.7590  -0.2000   3.1206   0.0000   0.0000  -0.2000   3.1206  ?   ?    4.0539   1.7590 0.000000 1.758957 
1 1 1   29   25    7 o   11.520   2.7587   18.200   7.4051   0.0000   0.0000   18.200   7.4051  ?   ?    11.520   2.7587 0.000000 2.758702 
1 1 1   29   25    8 o   10.746   2.6829   15.800   6.7872   0.0000   0.0000   15.800   6.7872  ?   ?    10.746   2.6829 0.000000 2.682906 
1 1 1   29   25    9 o   11.143   2.6724   17.000   6.9411   0.0000   0.0000   17.000   6.9411  ?   ?    11.143   2.6724 0.000000 2.672362 
1 1 1   29   25   10 o   4.1269   1.9302  -3.9000   4.6829   0.0000   0.0000  -3.9000   4.6829  ?   ?    4.1269   1.9302 0.000000 1.930214 
1 1 1   29   25   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25   13 o   4.7267   1.9724   1.0000   3.6659   0.0000   0.0000   1.0000   3.6659  ?   ?    4.7267   1.9724 0.000000 1.972433 
1 1 1   29   25   14 f   18.242   2.9840   46.600   12.409   0.0000   0.0000   46.600   12.409  ?   ?    18.242   2.9840 0.000000 2.984035 
1 1 1   29   25   15 o   2.3221   1.1437  -4.6000   2.2235   0.0000   0.0000  -4.6000   2.2235  ?   ?    2.3221   1.1437 0.000000 1.143712 
1 1 1   29   25   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   25   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26    3 o   13.756   2.7315   25.700   8.5598   0.0000   0.0000   25.700   8.5598  ?   ?    13.756   2.7315 0.000000 2.731531 
1 1 1   29   26    4 f   21.374   2.9855   62.600   14.657   0.0000   0.0000   62.600   14.657  ?   ?    21.374   2.9855 0.000000 2.985496 
1 1 1   29   26    5 o   5.3841   2.0305   2.9000   3.5211   0.0000   0.0000   2.9000   3.5211  ?   ?    5.3841   2.0305 0.000000 2.030544 
1 1 1   29   26    6 o   8.2102   2.4410   9.0000   5.0802   0.0000   0.0000   9.0000   5.0802  ?   ?    8.2102   2.4410 0.000000 2.441012 
1 1 1   29   26    7 o   20.881   2.9536   60.000   14.157   0.0000   0.0000   60.000   14.157  ?   ?    20.881   2.9536 0.000000 2.953557 
1 1 1   29   26    8 o   9.9966   2.6972   13.800   6.5141   0.0000   0.0000   13.800   6.5141  ?   ?    9.9966   2.6972 0.000000 2.697240 
1 1 1   29   26    9 o   8.0676   2.5068   8.7000   5.2791   0.0000   0.0000   8.7000   5.2791  ?   ?    8.0676   2.5068 0.000000 2.506789 
1 1 1   29   26   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   26   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27    4 o   6.2934   2.4237   4.0000   5.0839   0.0000   0.0000   4.0000   5.0839  ?   ?    6.2934   2.4237 0.000000 2.423738 
1 1 1   29   27    5 o   13.066   2.7451   23.500   8.2006   0.0000   0.0000   23.500   8.2006  ?   ?    13.066   2.7451 0.000000 2.745143 
1 1 1   29   27    6 f   10.079   2.7190   14.100   6.6203   0.0000   0.0000   14.100   6.6203  ?   ?    10.079   2.7190 0.000000 2.718978 
1 1 1   29   27    7 o   11.036   2.5924   16.700   6.6407   0.0000   0.0000   16.700   6.6407  ?   ?    11.036   2.5924 0.000000 2.592353 
1 1 1   29   27    8 o   8.2198   2.4614   9.1000   5.1518   0.0000   0.0000   9.1000   5.1518  ?   ?    8.2198   2.4614 0.000000 2.461400 
1 1 1   29   27    9 o   3.2159   1.5588  -5.7000   3.6718   0.0000   0.0000  -5.7000   3.6718  ?   ?    3.2159   1.5588 0.000000 1.558847 
1 1 1   29   27   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   27   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28    6 o   8.8200   2.3909   10.500   5.1044   0.0000   0.0000   10.500   5.1044  ?   ?    8.8200   2.3909 0.000000 2.390902 
1 1 1   29   28    7 o   7.3766   2.3704   7.1000   4.6843   0.0000   0.0000   7.1000   4.6843  ?   ?    7.3766   2.3704 0.000000 2.370399 
1 1 1   29   28    8 o   6.7346   2.5977   4.8000   5.8466   0.0000   0.0000   4.8000   5.8466  ?   ?    6.7346   2.5977 0.000000 2.597653 
1 1 1   29   28    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   28   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   29    7 o   10.700   2.9512   16.400   7.6987   0.0000   0.0000   16.400   7.6987  ?   ?    10.700   2.9512 0.000000 2.951236 
1 1 1   29   29    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   29   30    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0    0 o   34.760   3.5484  149.900   28.430  149.900   28.430  149.900   28.430   34.760   3.5484   34.760   3.5484 0.000000 0.000000 
1 1 1   30    0    1 o   40.932   2.7448  205.307   26.256  205.307   26.256  205.307   26.256   40.932   2.7448   40.932   2.7448 0.000000 0.000000 
1 1 1   30    0    2 o   93.499   5.5537  1147.43  121.627  1147.43  121.627  1147.43  121.627   93.499   5.5537   93.499   5.5537 0.000000 0.000000 
1 1 1   30    0    3 o  ?   ?   -5.8774   0.6784  -5.8774   0.6784  -5.8774   0.6784  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   30    0    4 o   22.562   2.0044   62.300   10.485   62.300   10.485   62.300   10.485   22.562   2.0044   22.562   2.0044 0.000000 0.000000 
1 1 1   30    0    5 o   16.600   1.8679   34.115   7.0832   34.115   7.0832   34.115   7.0832   16.600   1.8679   16.600   1.8679 0.000000 0.000000 
1 1 1   30    0    6 o   41.866   2.7082  214.669   26.516  214.669   26.516  214.669   26.516   41.866   2.7082   41.866   2.7082 0.000000 0.000000 
1 1 1   30    0    7 o   12.424   1.9947   19.793   5.3998   19.793   5.3998   19.793   5.3998   12.424   1.9947   12.424   1.9947 0.000000 0.000000 
1 1 1   30    0    8 o   11.542   2.0129   17.277   4.9864   17.277   4.9864   17.277   4.9864   11.542   2.0129   11.542   2.0129 0.000000 0.000000 
1 1 1   30    0    9 o   6.3600   2.2830   6.3926   3.1360   6.3926   3.1360   6.3926   3.1360   6.3600   2.2830   6.3600   2.2830 0.000000 0.000000 
1 1 1   30    0   10 o   3.9762   2.4429   1.6000   4.4348   1.6000   4.4348   1.6000   4.4348   3.9762   2.4429   3.9762   2.4429 0.000000 0.000000 
1 1 1   30    0   11 o   17.656   3.0213   40.900   11.489   40.900   11.489   40.900   11.489   17.656   3.0213   17.656   3.0213 0.000000 0.000000 
1 1 1   30    0   12 o   18.635   2.8740   44.900   11.752   44.900   11.752   44.900   11.752   18.635   2.8740   18.635   2.8740 0.000000 0.000000 
1 1 1   30    0   13 o   7.1510   3.2069   9.0000   5.7780   9.0000   5.7780   9.0000   5.7780   7.1510   3.2069   7.1510   3.2069 0.000000 0.000000 
1 1 1   30    0   14 o   26.088   3.1714   86.800   18.768   86.800   18.768   86.800   18.768   26.088   3.1714   26.088   3.1714 0.000000 0.000000 
1 1 1   30    0   15 o   4.8712   2.6420   4.1000   4.2687   4.1000   4.2687   4.1000   4.2687   4.8712   2.6420   4.8712   2.6420 0.000000 0.000000 
1 1 1   30    0   16 o   4.2347   2.5577   2.2000   4.6841   2.2000   4.6841   2.2000   4.6841   4.2347   2.5577   4.2347   2.5577 0.000000 0.000000 
1 1 1   30    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    0   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1    0 o   7.2115   2.8424   8.6000   4.6497   8.6000   4.6497   8.6000   4.6497   7.2115   2.8424   7.2115   2.8424 0.000000 0.000000 
1 1 1   30    1    1 o   38.046   2.4422  178.308   21.825  213.400   30.995  143.800   30.736   41.019   3.2260   33.002   4.0277 8.016666 5.160386 
1 1 1   30    1    2 o   17.256   1.7760   36.250   7.1335   37.000   10.088   35.500   10.088   17.166   2.5677   16.783   2.6322 0.3827419 3.677162 
1 1 1   30    1    3 o   42.336   2.7520  223.160   27.362  236.100   38.756  210.300   38.637   42.468   3.9086   39.799   4.1733 2.668407 5.717787 
1 1 1   30    1    4 o   14.559   1.7394   25.877   5.8615   22.800   8.2592   29.000   8.3199   13.353   2.7119   15.217   2.3945 -1.863928 3.617734 
1 1 1   30    1    5 o   46.832   2.8788  274.474   31.682  318.700   44.921  230.700   44.690   49.362   3.8853   41.072   4.6921 8.290100 6.091914 
1 1 1   30    1    6 o   12.366   1.7748   18.795   5.0340   18.700   6.9636   18.900   7.2857   12.120   2.5156   12.156   2.6156 -0.3687191E-01 3.629008 
1 1 1   30    1    7 o   12.661   1.7577   19.676   5.1133   24.500   7.2496   14.900   7.2131   13.996   2.2714   10.745   2.8106 3.250651 3.613724 
1 1 1   30    1    8 o   10.107   1.8066   12.684   4.1534   15.600   5.7492   9.5000   6.0068   11.110   2.2682   8.7147   2.6684 2.395020 3.502193 
1 1 1   30    1    9 o   19.579   1.8495   46.741   8.4494   42.300   11.937   51.200   11.962   18.220   2.8693   20.220   2.5629 -1.999355 3.847215 
1 1 1   30    1   10 o   34.708   3.5713  156.400   28.852   0.0000   0.0000  156.400   28.852  ?   ?    34.708   3.5713 0.000000 3.571256 
1 1 1   30    1   11 o   31.205   3.3250  125.200   24.123   0.0000   0.0000  125.200   24.123  ?   ?    31.205   3.3250 0.000000 3.324973 
1 1 1   30    1   12 o   7.1938   2.3423   6.2000   4.5641   0.0000   0.0000   6.2000   4.5641  ?   ?    7.1938   2.3423 0.000000 2.342302 
1 1 1   30    1   13 o   12.640   2.5287   20.400   7.2843   0.0000   0.0000   20.400   7.2843  ?   ?    12.640   2.5287 0.000000 2.528745 
1 1 1   30    1   14 o   30.736   3.3269  122.300   23.762   0.0000   0.0000  122.300   23.762  ?   ?    30.736   3.3269 0.000000 3.326942 
1 1 1   30    1   15 o   6.7027   2.2269   5.3000   4.1178   0.0000   0.0000   5.3000   4.1178  ?   ?    6.7027   2.2269 0.000000 2.226917 
1 1 1   30    1   16 f   27.206   3.2048   95.900   20.194   0.0000   0.0000   95.900   20.194  ?   ?    27.206   3.2048 0.000000 3.204764 
1 1 1   30    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    1   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2    0 o   25.074   2.9917   79.400   17.048   79.400   17.048   79.400   17.048   25.074   2.9917   25.074   2.9917 0.000000 0.000000 
1 1 1   30    2    1 o   16.565   1.7885   33.448   6.8850   36.600   9.6649   30.200   9.8104   17.111   2.4630   15.389   2.8029 1.721066 3.731297 
1 1 1   30    2    2 o   9.3537   1.7227   10.850   3.6649   14.700   5.2915   7.3000   5.0808   10.816   2.1475   7.7494   2.4664 3.067057 3.270312 
1 1 1   30    2    3 o   20.555   1.8769   51.462   9.0100   48.800   12.771   54.100   12.713   19.637   2.8365   20.776   2.6518 -1.139360 3.883027 
1 1 1   30    2    4 o   18.167   1.8078   40.195   7.6519   40.900   10.860   39.500   10.783   18.032   2.6276   17.702   2.6621 0.3305454 3.740484 
1 1 1   30    2    5 o   17.556   1.8196   37.582   7.4336   44.600   10.452   30.400   10.574   18.937   2.3907   15.345   3.0258 3.592361 3.856289 
1 1 1   30    2    6 o   16.314   1.6911   32.366   6.4202   26.200   8.9507   38.900   9.2140   14.319   2.7472   17.716   2.2535 -3.397457 3.553207 
1 1 1   30    2    7 o   39.347   2.6439  192.434   24.423  184.700   34.616  200.100   34.462   37.397   3.9812   39.139   3.7756 -1.742744 5.486804 
1 1 1   30    2    8 o   30.248   2.1858  112.177   15.508   99.100   21.870  125.400   21.993   27.700   3.4159   31.497   2.9929 -3.796770 4.541573 
1 1 1   30    2    9 o   32.432   2.2719  129.312   17.289  141.700   24.538  117.100   24.364   33.366   3.1518   30.061   3.4976 3.304262 4.708173 
1 1 1   30    2   10 o   25.802   3.0110   84.600   18.000   0.0000   0.0000   84.600   18.000  ?   ?    25.802   3.0110 0.000000 3.010956 
1 1 1   30    2   11 o   12.378   2.5924   19.600   7.3345   0.0000   0.0000   19.600   7.3345  ?   ?    12.378   2.5924 0.000000 2.592353 
1 1 1   30    2   12 o   12.883   2.5837   21.200   7.5865   0.0000   0.0000   21.200   7.5865  ?   ?    12.883   2.5837 0.000000 2.583741 
1 1 1   30    2   13 o   1.8185   0.8619  -1.2000   0.9905   0.0000   0.0000  -1.2000   0.9905  ?   ?    1.8185   0.8619 0.000000 0.8618820 
1 1 1   30    2   14 o   7.5290   2.3343   7.0000   4.5806   0.0000   0.0000   7.0000   4.5806  ?   ?    7.5290   2.3343 0.000000 2.334335 
1 1 1   30    2   15 o   16.315   2.5781   33.800   9.6022   0.0000   0.0000   33.800   9.6022  ?   ?    16.315   2.5781 0.000000 2.578146 
1 1 1   30    2   16 o   25.159   3.0971   81.700   18.011   0.0000   0.0000   81.700   18.011  ?   ?    25.159   3.0971 0.000000 3.097115 
1 1 1   30    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    2   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3    0 o   10.648   2.9456   16.400   6.4055   16.400   6.4055   16.400   6.4055   10.648   2.9456   10.648   2.9456 0.000000 0.000000 
1 1 1   30    3    1 o   25.519   2.0323   79.476   12.145   92.300   17.158   66.600   17.193   27.184   2.7091   22.753   3.2959 4.430902 4.266454 
1 1 1   30    3    2 o   30.026   2.2100  110.475   15.559  105.000   22.055  115.900   21.954   28.626   3.3247   30.226   3.1207 -1.600172 4.559866 
1 1 1   30    3    3 o   24.444   1.8356   72.534   10.518   96.200   15.026   49.800   14.727   27.965   2.2957   19.618   3.2960 8.347397 4.016684 
1 1 1   30    3    4 o   21.049   1.8506   53.917   9.1050   57.600   12.935   50.300   12.818   21.461   2.6060   19.953   2.7975 1.508278 3.823270 
1 1 1   30    3    5 o   38.221   2.5406  180.816   22.800  199.900   32.273  161.800   32.214   39.399   3.5055   35.023   3.9651 4.376114 5.292511 
1 1 1   30    3    6 o   12.054   1.7294   17.844   4.7817   23.500   6.8603   12.500   6.6683   13.729   2.1898   9.8784   2.7549 3.850094 3.519151 
1 1 1   30    3    7 o   7.5175   1.8715   7.0988   3.3092   2.2000   4.8104   11.500   4.5596   5.7929   2.3187   9.5510   2.0806 -3.758132 3.115264 
1 1 1   30    3    8 o   31.973   2.2426  125.522   16.824  140.600   23.855  110.600   23.731   33.307   3.0675   29.208   3.5112 4.098948 4.662416 
1 1 1   30    3    9 o   30.905   2.2379  117.342   16.221  118.900   23.002  115.800   22.879   30.475   3.2463   30.050   3.2773 0.4251156 4.612995 
1 1 1   30    3   10 o   12.557   2.4411   20.000   6.9776   0.0000   0.0000   20.000   6.9776  ?   ?    12.557   2.4411 0.000000 2.441136 
1 1 1   30    3   11 o   53.153   5.2936  403.000   65.558   0.0000   0.0000  403.000   65.558  ?   ?    53.153   5.2936 0.000000 5.293634 
1 1 1   30    3   12 o   18.159   2.6622   41.700   11.077   0.0000   0.0000   41.700   11.077  ?   ?    18.159   2.6622 0.000000 2.662160 
1 1 1   30    3   13 o   24.752   2.9659   78.100   16.989   0.0000   0.0000   78.100   16.989  ?   ?    24.752   2.9659 0.000000 2.965857 
1 1 1   30    3   14 o   13.955   2.6081   24.900   8.2784   0.0000   0.0000   24.900   8.2784  ?   ?    13.955   2.6081 0.000000 2.608083 
1 1 1   30    3   15 o   25.585   3.0096   83.900   17.835   0.0000   0.0000   83.900   17.835  ?   ?    25.585   3.0096 0.000000 3.009616 
1 1 1   30    3   16 o   40.310   4.1490  221.400   38.929   0.0000   0.0000  221.400   38.929  ?   ?    40.310   4.1490 0.000000 4.149016 
1 1 1   30    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    3   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4    0 o   4.9310   2.5147   4.3000   3.6868   4.3000   3.6868   4.3000   3.6868   4.9310   2.5147   4.9310   2.5147 0.000000 0.000000 
1 1 1   30    4    1 o   25.109   1.9862   76.860   11.680   86.000   16.601   67.900   16.437   26.220   2.7208   23.081   3.0937 3.139313 4.119875 
1 1 1   30    4    2 o   25.759   1.9835   80.864   11.972   71.000   16.858   90.900   17.004   23.604   3.0995   26.970   2.7065 -3.365992 4.114878 
1 1 1   30    4    3 o   25.109   2.0718   77.083   12.174  100.200   17.167   53.700   17.266   28.389   2.5894   20.127   3.7714 8.261612 4.574772 
1 1 1   30    4    4 o   24.421   1.9873   72.758   11.361   71.200   16.108   74.300   16.026   23.717   2.9393   24.281   2.8491 -0.5647411 4.093528 
1 1 1   30    4    5 o   31.802   2.2834  124.270   17.033  113.800   24.111  134.700   24.065   29.655   3.5112   32.542   3.1721 -2.886740 4.731864 
1 1 1   30    4    6 o   16.838   1.7823   34.567   6.9785   30.000   9.8335   39.200   9.9051   15.315   2.8232   17.716   2.4318 -2.401883 3.726182 
1 1 1   30    4    7 o   47.265   3.0047  281.357   33.361  293.100   47.268  269.700   47.093   46.720   4.3339   44.551   4.5399 2.169216 6.276394 
1 1 1   30    4    8 o   20.154   1.8778   49.544   8.8337   52.100   12.389   46.900   12.600   20.367   2.6380   19.207   2.8657 1.159897 3.895016 
1 1 1   30    4    9 o  ?   ?   -4.3918   0.5860  -5.9000   0.6461   2.6000   1.3911  ?   ?    4.5927   1.2495 0.000000 1.249512 
1 1 1   30    4   10 o   9.4072   2.4812   11.300   5.5909   0.0000   0.0000   11.300   5.5909  ?   ?    9.4072   2.4812 0.000000 2.481186 
1 1 1   30    4   11 o   12.320   2.5658   19.400   7.2220   0.0000   0.0000   19.400   7.2220  ?   ?    12.320   2.5658 0.000000 2.565803 
1 1 1   30    4   12 o   24.622   2.9736   77.200   16.939   0.0000   0.0000   77.200   16.939  ?   ?    24.622   2.9736 0.000000 2.973647 
1 1 1   30    4   13 o   16.154   2.5967   33.100   9.5696   0.0000   0.0000   33.100   9.5696  ?   ?    16.154   2.5967 0.000000 2.596678 
1 1 1   30    4   14 o   32.719   3.4735  139.700   26.426   0.0000   0.0000  139.700   26.426  ?   ?    32.719   3.4735 0.000000 3.473502 
1 1 1   30    4   15 o   26.177   3.0479   88.000   18.487   0.0000   0.0000   88.000   18.487  ?   ?    26.177   3.0479 0.000000 3.047860 
1 1 1   30    4   16 o   4.7311   1.9747   0.7000   3.6753   0.0000   0.0000   0.7000   3.6753  ?   ?    4.7311   1.9747 0.000000 1.974690 
1 1 1   30    4   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    4   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5    0 o   24.755   2.9593   77.400   16.645   77.400   16.645   77.400   16.645   24.755   2.9593   24.755   2.9593 0.000000 0.000000 
1 1 1   30    5    1 o   39.632   2.6230  194.859   24.409  171.500   34.489  218.300   34.549   35.917   4.1424   41.111   3.5950 -5.194424 5.484883 
1 1 1   30    5    2 o   34.024   2.3259  142.307   18.575  169.100   26.314  115.700   26.223   36.577   3.0751   29.682   3.8307 6.895514 4.912340 
1 1 1   30    5    3 o   17.974   1.7838   39.332   7.4709   46.300   10.618   32.500   10.514   19.303   2.3799   15.928   2.9023 3.375286 3.753265 
1 1 1   30    5    4 o   36.119   2.4585  161.091   20.844  162.500   29.576  159.700   29.380   35.429   3.5846   35.112   3.5942 0.3166771 5.076176 
1 1 1   30    5    5 o   25.566   2.0642   79.918   12.355   90.600   17.418   69.100   17.529   26.867   2.7860   23.156   3.2991 3.711004 4.318037 
1 1 1   30    5    6 o   18.410   1.7705   41.243   7.6019   23.700   10.689   59.200   10.814   13.395   3.3795   21.961   2.1113 -8.566600 3.984788 
1 1 1   30    5    7 o   15.232   1.7717   28.350   6.2536   31.500   8.8440   25.200   8.8440   15.843   2.4424   14.022   2.7692 1.821326 3.692436 
1 1 1   30    5    8 o   40.345   2.6457  202.468   25.066  215.100   35.565  190.000   35.333   40.576   3.7544   37.866   4.0127 2.709381 5.495204 
1 1 1   30    5    9 o   15.726   1.8351   30.273   6.6861   31.900   9.8830   28.900   9.0793   15.824   2.7444   15.083   2.6458 0.7416430 3.812032 
1 1 1   30    5   10 o   1.9933   0.9631  -2.2000   1.3741   0.0000   0.0000  -2.2000   1.3741  ?   ?    1.9933   0.9631 0.000000 0.9631298 
1 1 1   30    5   11 o   32.689   3.4357  138.200   26.124   0.0000   0.0000  138.200   26.124  ?   ?    32.689   3.4357 0.000000 3.435748 
1 1 1   30    5   12 o   22.718   2.8466   65.500   14.936   0.0000   0.0000   65.500   14.936  ?   ?    22.718   2.8466 0.000000 2.846624 
1 1 1   30    5   13 o   16.226   2.5950   33.400   9.6075   0.0000   0.0000   33.400   9.6075  ?   ?    16.226   2.5950 0.000000 2.594984 
1 1 1   30    5   14 o   37.105   3.8007  182.800   32.831   0.0000   0.0000  182.800   32.831  ?   ?    37.105   3.8007 0.000000 3.800662 
1 1 1   30    5   15 o   24.465   2.9663   76.700   16.786   0.0000   0.0000   76.700   16.786  ?   ?    24.465   2.9663 0.000000 2.966307 
1 1 1   30    5   16 o   9.5478   2.6681   11.800   6.2481   0.0000   0.0000   11.800   6.2481  ?   ?    9.5478   2.6681 0.000000 2.668080 
1 1 1   30    5   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    5   29 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6    0 o   16.489   2.7673   35.400   9.8632   35.400   9.8632   35.400   9.8632   16.489   2.7673   16.489   2.7673 0.000000 0.000000 
1 1 1   30    6    1 o   7.8400   1.8392   7.7137   3.3461   12.500   4.9216   3.6000   4.5628   9.9512   2.1567   6.1721   2.3147 3.779145 3.163762 
1 1 1   30    6    2 o   23.562   1.9320   67.645   10.655   62.400   14.991   73.000   15.147   22.185   2.9336   24.138   2.7038 -1.953621 3.989563 
1 1 1   30    6    3 o   45.844   2.9011  263.401   31.244  286.900   44.279  240.100   44.093   46.591   4.0654   42.103   4.5049 4.488255 6.068118 
1 1 1   30    6    4 o   28.409   2.1372   98.807   14.232  116.800   20.123   80.800   20.132   30.511   2.8252   24.932   3.5172 5.578518 4.511337 
1 1 1   30    6    5 o   24.106   1.9755   70.901   11.146   69.100   15.767   72.700   15.758   23.359   2.9225   24.014   2.8335 -0.6552887 4.070592 
1 1 1   30    6    6 o   7.4381   1.8354   6.9453   3.2039   5.0000   4.2895   9.4000   4.8184   6.6331   2.2730   8.6133   2.3180 -1.980166 3.246509 
1 1 1   30    6    7 o   40.048   2.6537  199.540   24.953  172.500   35.283  226.600   35.296   35.844   4.2514   41.808   3.6107 -5.964367 5.577802 
1 1 1   30    6    8 o   10.006   1.8170   12.448   4.1351   13.400   5.7122   11.400   5.9937   10.251   2.4019   9.4476   2.6033 0.8029766 3.542053 
1 1 1   30    6    9 o   22.431   1.9388   61.419   10.168   64.500   14.850   58.700   13.952   22.579   2.8486   21.546   2.8090 1.032578 4.000609 
1 1 1   30    6   10 o   6.8237   2.1836   5.6000   3.9781   0.0000   0.0000   5.6000   3.9781  ?   ?    6.8237   2.1836 0.000000 2.183552 
1 1 1   30    6   11 o   16.197   2.5868   33.200   9.5607   0.0000   0.0000   33.200   9.5607  ?   ?    16.197   2.5868 0.000000 2.586845 
1 1 1   30    6   12 o   3.9420   1.6366   0.5000   2.5056   0.0000   0.0000   0.5000   2.5056  ?   ?    3.9420   1.6366 0.000000 1.636628 
1 1 1   30    6   13 o   23.838   2.8758   72.300   15.860   0.0000   0.0000   72.300   15.860  ?   ?    23.838   2.8758 0.000000 2.875751 
1 1 1   30    6   14 o   4.9777   1.9623   1.8000   3.3956   0.0000   0.0000   1.8000   3.3956  ?   ?    4.9777   1.9623 0.000000 1.962254 
1 1 1   30    6   15 o   10.678   2.5005   14.700   6.1941   0.0000   0.0000   14.700   6.1941  ?   ?    10.678   2.5005 0.000000 2.500486 
1 1 1   30    6   16 o   13.223   2.6317   22.600   7.9284   0.0000   0.0000   22.600   7.9284  ?   ?    13.223   2.6317 0.000000 2.631726 
1 1 1   30    6   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    6   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7    0 o   5.6252   2.6759   5.6000   4.0558   5.6000   4.0558   5.6000   4.0558   5.6252   2.6759   5.6252   2.6759 0.000000 0.000000 
1 1 1   30    7    1 o   32.598   2.2995  130.619   17.587  138.600   24.921  122.700   24.823   32.960   3.2439   30.835   3.4695 2.125500 4.749804 
1 1 1   30    7    2 o   14.240   1.7198   24.763   5.6659   25.600   7.9539   23.900   8.0731   14.254   2.4515   13.715   2.5876 0.5388479 3.564484 
1 1 1   30    7    3 o   29.399   2.1742  105.905   14.987  108.000   21.171  103.800   21.218   29.140   3.1254   28.510   3.2074 0.6304855 4.478355 
1 1 1   30    7    4 o   27.075   2.0553   89.564   13.043   72.900   18.425  106.300   18.465   23.740   3.3824   29.160   2.7127 -5.420113 4.335861 
1 1 1   30    7    5 o   11.349   1.7233   15.851   4.4732   15.900   6.2341   15.800   6.4222   11.175   2.4315   11.121   2.5056 0.5421066E-01 3.491452 
1 1 1   30    7    6 o   40.236   2.6328  201.219   24.876  184.800   35.095  217.800   35.267   37.319   4.0473   40.908   3.6906 -3.588707 5.477305 
1 1 1   30    7    7 o   8.1195   1.9198   8.2962   3.6230   9.0000   5.1376   7.6000   5.1100   8.4500   2.4391   7.8665   2.4699 0.5835261 3.471255 
1 1 1   30    7    8 o   9.9199   1.8892   12.283   4.2637   20.600   7.5578   8.4000   5.1639   12.697   2.6081   8.2007   2.4662 4.495904 3.589489 
1 1 1   30    7    9 o   49.281   3.1458  308.190   36.417  312.700   51.558  303.700   51.445   47.777   4.6280   46.982   4.7002 0.7954865 6.596218 
1 1 1   30    7   10 o  ?   ?   -6.6000   0.8328   0.0000   0.0000  -6.6000   0.8328  ?   ?   ?   ?  0.000000      ? 
1 1 1   30    7   11 o   20.350   2.7628   52.500   12.933   0.0000   0.0000   52.500   12.933  ?   ?    20.350   2.7628 0.000000 2.762773 
1 1 1   30    7   12 o   29.137   3.2317  109.400   21.861   0.0000   0.0000  109.400   21.861  ?   ?    29.137   3.2317 0.000000 3.231726 
1 1 1   30    7   13 o  ?   ?   -8.6000   0.8471   0.0000   0.0000  -8.6000   0.8471  ?   ?   ?   ?  0.000000      ? 
1 1 1   30    7   14 o   23.964   2.9157   73.400   16.159   0.0000   0.0000   73.400   16.159  ?   ?    23.964   2.9157 0.000000 2.915719 
1 1 1   30    7   15 o   28.333   3.2148  104.300   21.127   0.0000   0.0000  104.300   21.127  ?   ?    28.333   3.2148 0.000000 3.214792 
1 1 1   30    7   16 o   35.363   3.7638  168.500   30.947   0.0000   0.0000  168.500   30.947  ?   ?    35.363   3.7638 0.000000 3.763833 
1 1 1   30    7   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    7   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8    0 o   25.941   3.0557   85.100   18.037   85.100   18.037   85.100   18.037   25.941   3.0557   25.941   3.0557 0.000000 0.000000 
1 1 1   30    8    1 o   4.9243   1.7113   2.6370   2.4353   1.3000   3.5705   3.8000   3.3300   4.8944   1.9840   5.8290   2.0025 -0.9346075 2.818889 
1 1 1   30    8    2 o   7.3355   1.8819   6.7538   3.2757  -2.4000   4.7583   15.000   4.5163   4.5601   2.0629   11.015   1.7984 -6.454829 2.736753 
1 1 1   30    8    3 o   26.785   2.0362   87.616   12.782   99.700   18.140   75.700   18.014   28.205   2.7590   24.291   3.2199 3.913454 4.240265 
1 1 1   30    8    4 o   17.178   1.7930   35.986   7.1659   39.700   10.224   32.400   10.046   17.800   2.5016   15.948   2.7682 1.852254 3.731030 
1 1 1   30    8    5 o   34.796   2.3163  148.933   18.924  131.800   26.671  166.300   26.854   31.832   3.6123   36.155   3.1776 -4.323584 4.811019 
1 1 1   30    8    6 o   17.824   1.7862   38.711   7.4169   36.100   10.413   41.400   10.567   16.877   2.7043   18.168   2.5318 -1.291470 3.704468 
1 1 1   30    8    7 o   17.240   1.7990   36.262   7.2161   45.300   10.171   27.100   10.240   19.110   2.3001   14.425   3.0985 4.684242 3.858958 
1 1 1   30    8    8 o   23.545   1.9783   67.724   10.897   60.900   15.438   74.500   15.384   21.808   3.0838   24.352   2.7218 -2.544500 4.113167 
1 1 1   30    8    9 o   7.9365   2.3106   7.9000   4.5930   0.0000   0.0000   7.9000   4.5930  ?   ?    7.9365   2.3106 0.000000 2.310631 
1 1 1   30    8   10 o   41.811   4.1707  234.900   40.628   0.0000   0.0000  234.900   40.628  ?   ?    41.811   4.1707 0.000000 4.170707 
1 1 1   30    8   11 o   14.655   2.6338   27.400   8.7793   0.0000   0.0000   27.400   8.7793  ?   ?    14.655   2.6338 0.000000 2.633801 
1 1 1   30    8   12 o   26.314   3.0754   88.800   18.749   0.0000   0.0000   88.800   18.749  ?   ?    26.314   3.0754 0.000000 3.075449 
1 1 1   30    8   13 o   23.565   2.9071   70.900   15.833   0.0000   0.0000   70.900   15.833  ?   ?    23.565   2.9071 0.000000 2.907084 
1 1 1   30    8   14 o   15.826   2.6379   32.000   9.5110   0.0000   0.0000   32.000   9.5110  ?   ?    15.826   2.6379 0.000000 2.637933 
1 1 1   30    8   15 o   6.1784   2.2735   3.9000   4.3620   0.0000   0.0000   3.9000   4.3620  ?   ?    6.1784   2.2735 0.000000 2.273495 
1 1 1   30    8   16 o   15.324   2.7621   30.500   9.6269   0.0000   0.0000   30.500   9.6269  ?   ?    15.324   2.7621 0.000000 2.762089 
1 1 1   30    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    8   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9    0 o   40.230   3.9049  206.200   36.293  206.200   36.293  206.200   36.293   40.230   3.9049   40.230   3.9049 0.000000 0.000000 
1 1 1   30    9    1 o   10.996   1.7794   14.938   4.4626   17.600   6.1612   12.000   6.4725   11.811   2.2918   9.6870   2.7186 2.123693 3.555746 
1 1 1   30    9    2 o   6.5491   1.7179   5.3561   2.6896   4.6000   3.5317   6.4000   4.1500   6.2653   2.0614   7.2217   2.2191 -0.9563632 3.028853 
1 1 1   30    9    3 o   30.555   2.3016  114.898   16.484  132.000   23.213   97.500   23.413   32.258   3.0851   27.254   3.7363 5.003361 4.845402 
1 1 1   30    9    4 o   24.445   1.9933   72.960   11.406   78.600   16.116   67.300   16.144   25.004   2.7763   22.974   3.0514 2.030235 4.125442 
1 1 1   30    9    5 o   17.544   1.7625   37.485   7.2030   34.400   10.082   40.700   10.294   16.475   2.6841   18.032   2.4835 -1.556915 3.656786 
1 1 1   30    9    6 o   25.184   1.9838   77.408   11.701   69.800   16.451   85.200   16.648   23.396   3.0503   26.052   2.7476 -2.655916 4.105347 
1 1 1   30    9    7 o   16.289   1.7763   32.389   6.7219   35.900   9.5913   29.000   9.4232   16.915   2.4744   15.067   2.7498 1.847803 3.699229 
1 1 1   30    9    8 o   2.5686   1.1797  -1.1933   1.6334  -4.2000   2.9026   0.2000   1.9760   2.9641   1.4240   3.4235   1.4396 -0.4593844 2.024954 
1 1 1   30    9    9 o   29.499   2.2762  107.309   15.733  103.600   22.767  110.700   21.767   28.199   3.4939   29.383   3.1884 -1.183886 4.730089 
1 1 1   30    9   10 o   24.756   2.9634   78.100   16.979   0.0000   0.0000   78.100   16.979  ?   ?    24.756   2.9634 0.000000 2.963432 
1 1 1   30    9   11 o   16.238   2.6203   33.500   9.7051   0.0000   0.0000   33.500   9.7051  ?   ?    16.238   2.6203 0.000000 2.620284 
1 1 1   30    9   12 o   8.1478   2.3231   8.4000   4.6876   0.0000   0.0000   8.4000   4.6876  ?   ?    8.1478   2.3231 0.000000 2.323077 
1 1 1   30    9   13 o   4.8990   1.9047   1.9000   3.1628   0.0000   0.0000   1.9000   3.1628  ?   ?    4.8990   1.9047 0.000000 1.904685 
1 1 1   30    9   14 o   6.8791   2.3012   5.6000   4.3954   0.0000   0.0000   5.6000   4.3954  ?   ?    6.8791   2.3012 0.000000 2.301190 
1 1 1   30    9   15 o   12.650   2.7384   20.900   7.9427   0.0000   0.0000   20.900   7.9427  ?   ?    12.650   2.7384 0.000000 2.738381 
1 1 1   30    9   16 o   13.339   2.6800   23.200   8.1487   0.0000   0.0000   23.200   8.1487  ?   ?    13.339   2.6800 0.000000 2.680016 
1 1 1   30    9   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30    9   28 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10    0 o   8.8051   2.9482   12.000   5.4690   12.000   5.4690   12.000   5.4690   8.8051   2.9482   8.8051   2.9482 0.000000 0.000000 
1 1 1   30   10    1 o   34.855   2.4084  149.895   19.701  158.400   27.868  141.400   27.854   35.103   3.4049   32.964   3.6390 2.138168 4.983515 
1 1 1   30   10    2 o   16.770   1.7516   34.263   6.8341   28.400   9.6753   40.100   9.6544   14.873   2.8587   17.957   2.3319 -3.083257 3.689154 
1 1 1   30   10    3 o   16.967   1.8551   35.194   7.3112   44.700   10.238   25.300   10.445   18.970   2.3346   13.881   3.2448 5.089640 3.997375 
1 1 1   30   10    4 o   15.524   1.7461   29.410   6.2899   30.700   8.8627   28.100   8.9282   15.619   2.4863   14.873   2.6387 0.7457151 3.625537 
1 1 1   30   10    5 o   32.652   2.3246  131.307   17.806  135.700   25.160  126.900   25.202   32.515   3.3237   31.328   3.4648 1.186935 4.801249 
1 1 1   30   10    6 o   7.4234   1.7609   6.9114   3.0402   10.800   4.2664   2.9000   4.3333   9.2608   2.0088   5.8235   2.2390 3.437371 3.008060 
1 1 1   30   10    7 o   30.680   2.2286  115.751   16.035  115.500   22.712  116.000   22.643   29.986   3.2600   30.066   3.2406 -0.7945251E-01 4.596633 
1 1 1   30   10    8 o  ?   ?   -4.7718   0.5763  -7.7000   0.8615  -2.4000   0.7753  ?   ?    1.2019   0.6047 0.000000 0.6047157 
1 1 1   30   10    9 o   9.4708   2.5477   11.500   5.8222   0.0000   0.0000   11.500   5.8222  ?   ?    9.4708   2.5477 0.000000 2.547699 
1 1 1   30   10   10 o   15.737   2.6208   31.500   9.3966   0.0000   0.0000   31.500   9.3966  ?   ?    15.737   2.6208 0.000000 2.620777 
1 1 1   30   10   11 o   17.303   2.6294   38.000   10.405   0.0000   0.0000   38.000   10.405  ?   ?    17.303   2.6294 0.000000 2.629374 
1 1 1   30   10   12 o   16.517   2.6096   34.700   9.8402   0.0000   0.0000   34.700   9.8402  ?   ?    16.517   2.6096 0.000000 2.609573 
1 1 1   30   10   13 o   23.671   2.9223   71.900   15.987   0.0000   0.0000   71.900   15.987  ?   ?    23.671   2.9223 0.000000 2.922275 
1 1 1   30   10   14 o   6.9336   2.2657   5.8000   4.2689   0.0000   0.0000   5.8000   4.2689  ?   ?    6.9336   2.2657 0.000000 2.265680 
1 1 1   30   10   15 o   18.246   2.7236   42.900   11.376   0.0000   0.0000   42.900   11.376  ?   ?    18.246   2.7236 0.000000 2.723626 
1 1 1   30   10   16 o   14.178   2.7803   26.400   8.9754   0.0000   0.0000   26.400   8.9754  ?   ?    14.178   2.7803 0.000000 2.780302 
1 1 1   30   10   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   10   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11    0 o   26.871   3.0706   91.200   18.826   91.200   18.826   91.200   18.826   26.871   3.0706   26.871   3.0706 0.000000 0.000000 
1 1 1   30   11    1 o   8.7032   1.6645   9.4079   3.2960   7.2000   4.6183   11.700   4.7056   7.6363   2.3400   9.6236   2.1273 -1.987290 3.162429 
1 1 1   30   11    2 o   7.2542   1.7802   6.6000   3.0267   8.9000   4.2804   4.3000   4.2804   8.3879   2.1508   6.3415   2.2632 2.046383 3.122201 
1 1 1   30   11    3 o   17.557   1.7958   37.593   7.3403   44.300   10.348   30.800   10.414   18.862   2.3759   15.455   2.9615 3.407688 3.796715 
1 1 1   30   11    4 o   33.455   2.3448  138.001   18.407  140.900   26.027  135.100   26.034   33.073   3.3802   32.312   3.4662 0.7609634 4.841554 
1 1 1   30   11    5 o   1.4508   0.7046  -1.3182   0.7598  -0.2000   0.9210  -3.7000   1.3442   2.1709   0.9485   1.6528   0.8265 0.5180597 1.258088 
1 1 1   30   11    6 o   8.7139   1.9279   9.5558   3.8619   6.9000   5.7064   11.800   5.2456   7.6864   2.6218   9.6192   2.3333 -1.932811 3.509694 
1 1 1   30   11    7 o   13.602   1.7405   22.681   5.4619   30.800   7.8079   14.900   7.6434   15.746   2.1566   10.709   2.9353 5.037257 3.642380 
1 1 1   30   11    8 o   6.3704   1.9956   4.9148   3.3379  -0.2000   5.4417   8.0000   4.2263   5.4128   2.3356   7.9575   2.1833 -2.544743 3.197169 
1 1 1   30   11    9 o   9.1473   2.4134   10.700   5.2884   0.0000   0.0000   10.700   5.2884  ?   ?    9.1473   2.4134 0.000000 2.413387 
1 1 1   30   11   10 o   13.861   2.5476   24.500   8.0311   0.0000   0.0000   24.500   8.0311  ?   ?    13.861   2.5476 0.000000 2.547621 
1 1 1   30   11   11 o   9.3460   2.3971   11.200   5.3157   0.0000   0.0000   11.200   5.3157  ?   ?    9.3460   2.3971 0.000000 2.397074 
1 1 1   30   11   12 o   10.376   2.5005   13.900   6.0546   0.0000   0.0000   13.900   6.0546  ?   ?    10.376   2.5005 0.000000 2.500486 
1 1 1   30   11   13 o   12.566   2.5820   20.400   7.4052   0.0000   0.0000   20.400   7.4052  ?   ?    12.566   2.5820 0.000000 2.582032 
1 1 1   30   11   14 o   22.850   2.9310   67.600   15.450   0.0000   0.0000   67.600   15.450  ?   ?    22.850   2.9310 0.000000 2.931007 
1 1 1   30   11   15 o   12.522   2.6448   20.500   7.5751   0.0000   0.0000   20.500   7.5751  ?   ?    12.522   2.6448 0.000000 2.644763 
1 1 1   30   11   16 o   4.7986   1.9395   1.4000   3.4018   0.0000   0.0000   1.4000   3.4018  ?   ?    4.7986   1.9395 0.000000 1.939517 
1 1 1   30   11   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   11   27 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12    0 o   28.400   3.1635  102.000   20.542  102.000   20.542  102.000   20.542   28.400   3.1635   28.400   3.1635 0.000000 0.000000 
1 1 1   30   12    1 o   15.521   1.7381   29.410   6.2612   25.700   8.8670   33.100   8.8424   14.156   2.7517   16.262   2.3725 -2.106088 3.633215 
1 1 1   30   12    2 o   26.185   2.0452   83.906   12.546   86.400   17.720   81.400   17.766   26.110   2.9242   25.268   3.0384 0.8416615 4.216962 
1 1 1   30   12    3 o   10.510   1.7575   13.676   4.2079   17.200   5.8894  10.0000   6.0143   11.684   2.2157   8.8953   2.6585 2.788396 3.460789 
1 1 1   30   12    4 o   21.346   1.8578   55.568   9.2711   66.800   13.130   44.400   13.093   23.167   2.4367   18.539   3.1002 4.627361 3.943185 
1 1 1   30   12    5 o   16.498   1.8124   33.296   6.9444   30.800   10.023   35.600   9.6306   15.480   2.8469   16.815   2.5017 -1.334978 3.789910 
1 1 1   30   12    6 o   18.801   1.8031   43.134   7.9070   37.800   11.166   48.500   11.199   17.179   2.8525   19.685   2.4631 -2.505657 3.768812 
1 1 1   30   12    7 o   33.119   2.3272  135.532   18.085  144.200   25.677  127.000   25.476   33.444   3.2941   31.188   3.5208 2.255951 4.821550 
1 1 1   30   12    8 o   7.3000   2.3184   6.5000   4.4912   0.0000   0.0000   6.5000   4.4912  ?   ?    7.3000   2.3184 0.000000 2.318429 
1 1 1   30   12    9 o   33.751   3.5595  149.300   27.941   0.0000   0.0000  149.300   27.941  ?   ?    33.751   3.5595 0.000000 3.559518 
1 1 1   30   12   10 o   21.449   2.8315   58.700   13.991   0.0000   0.0000   58.700   13.991  ?   ?    21.449   2.8315 0.000000 2.831530 
1 1 1   30   12   11 o   16.671   2.6458   35.500   10.068   0.0000   0.0000   35.500   10.068  ?   ?    16.671   2.6458 0.000000 2.645769 
1 1 1   30   12   12 o   6.9463   2.2812   5.8000   4.3255   0.0000   0.0000   5.8000   4.3255  ?   ?    6.9463   2.2812 0.000000 2.281179 
1 1 1   30   12   13 o   21.695   2.8209   60.600   14.109   0.0000   0.0000   60.600   14.109  ?   ?    21.695   2.8209 0.000000 2.820932 
1 1 1   30   12   14 o   2.2267   1.0965  -4.3000   2.0403   0.0000   0.0000  -4.3000   2.0403  ?   ?    2.2267   1.0965 0.000000 1.096530 
1 1 1   30   12   15 o   11.925   2.7121   18.800   7.4647   0.0000   0.0000   18.800   7.4647  ?   ?    11.925   2.7121 0.000000 2.712130 
1 1 1   30   12   16 o   7.1082   2.4167   6.1000   4.8485   0.0000   0.0000   6.1000   4.8485  ?   ?    7.1082   2.4167 0.000000 2.416709 
1 1 1   30   12   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   12   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13    0 o   11.721   2.9021   19.300   6.9524   19.300   6.9524   19.300   6.9524   11.721   2.9021   11.721   2.9021 0.000000 0.000000 
1 1 1   30   13    1 o   36.570   2.4925  165.954   21.396  162.000   30.274  169.900   30.242   35.132   3.7052   36.086   3.5970 -0.9542770 5.163967 
1 1 1   30   13    2 o   17.038   1.7731   35.438   7.0292   33.100   9.9156   37.800   9.9662   16.121   2.7002   17.332   2.5080 -1.210619 3.685256 
1 1 1   30   13    3 o   26.482   2.0427   85.889   12.675   90.500   17.947   81.300   17.904   26.723   2.8902   25.206   3.0715 1.517145 4.217507 
1 1 1   30   13    4 o   20.450   1.8489   51.049   8.8315   54.700   12.672   47.600   12.315   20.838   2.6340   19.355   2.7739 1.483765 3.825282 
1 1 1   30   13    5 o   3.6716   1.4672   0.8217   1.9228   0.7000   3.0733   0.9000   2.4647   4.3865   1.8162   4.0805   1.6504 0.3059835 2.454000 
1 1 1   30   13    6 o   32.709   2.3228  132.240   17.824  133.100   25.354  131.400   25.062   32.017   3.4058   31.826   3.3869 0.1910000 4.803180 
1 1 1   30   13    7 o   19.130   2.0033   45.022   8.9152   35.400   12.986   53.600   12.262   16.295   3.4806   20.637   2.5720 -4.341892 4.327759 
1 1 1   30   13    8 o   59.137   6.3118  547.200   86.778   0.0000   0.0000  547.200   86.778  ?   ?    59.137   6.3118 0.000000 6.311811 
1 1 1   30   13    9 o   19.673   2.7356   49.300   12.364   0.0000   0.0000   49.300   12.364  ?   ?    19.673   2.7356 0.000000 2.735620 
1 1 1   30   13   10 o   26.816   3.0835   92.900   19.170   0.0000   0.0000   92.900   19.170  ?   ?    26.816   3.0835 0.000000 3.083548 
1 1 1   30   13   11 o   25.902   3.0539   86.900   18.320   0.0000   0.0000   86.900   18.320  ?   ?    25.902   3.0539 0.000000 3.053901 
1 1 1   30   13   12 o   20.592   2.7628   54.500   13.095   0.0000   0.0000   54.500   13.095  ?   ?    20.592   2.7628 0.000000 2.762769 
1 1 1   30   13   13 o   12.300   2.5815   19.700   7.2588   0.0000   0.0000   19.700   7.2588  ?   ?    12.300   2.5815 0.000000 2.581485 
1 1 1   30   13   14 o   8.2278   2.4585   8.7000   5.1436   0.0000   0.0000   8.7000   5.1436  ?   ?    8.2278   2.4585 0.000000 2.458460 
1 1 1   30   13   15 o   15.255   2.7102   30.600   9.4054   0.0000   0.0000   30.600   9.4054  ?   ?    15.255   2.7102 0.000000 2.710177 
1 1 1   30   13   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   13   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14    0 o   7.4201   2.9625   9.2000   5.0278   9.2000   5.0278   9.2000   5.0278   7.4201   2.9625   7.4201   2.9625 0.000000 0.000000 
1 1 1   30   14    1 o   19.239   1.7860   45.138   8.0215   41.600   11.248   48.800   11.443   18.094   2.7164   19.716   2.5151 -1.622446 3.702006 
1 1 1   30   14    2 o   23.447   1.9502   67.250   10.700   69.000   15.132   65.500   15.132   23.336   2.8021   22.680   2.8911 0.6551838 4.026178 
1 1 1   30   14    3 o   5.1696   1.7090   3.0898   2.4264  -1.9000   3.5424   7.5000   3.3303   3.9165   1.7751   7.7175   1.8512 -3.800948 2.564751 
1 1 1   30   14    4 o   42.259   2.8182  224.857   27.961  210.200   39.621  239.400   39.465   39.232   4.3500   42.323   3.9962 -3.090454 5.907013 
1 1 1   30   14    5 o   14.510   2.0692   26.161   6.8889   17.600   10.660   32.300   9.0268   11.545   3.5581   15.997   2.4692 -4.451312 4.330910 
1 1 1   30   14    6 o   13.465   1.7844   22.309   5.5339   20.300   8.0605   24.100   7.6111   12.500   2.8003   13.786   2.4267 -1.285757 3.705499 
1 1 1   30   14    7 o   14.001   2.5235   25.000   8.0363   0.0000   0.0000   25.000   8.0363  ?   ?    14.001   2.5235 0.000000 2.523503 
1 1 1   30   14    8 o   27.974   3.1400  101.200   20.384   0.0000   0.0000  101.200   20.384  ?   ?    27.974   3.1400 0.000000 3.140043 
1 1 1   30   14    9 o   13.147   2.5350   22.200   7.5844   0.0000   0.0000   22.200   7.5844  ?   ?    13.147   2.5350 0.000000 2.534985 
1 1 1   30   14   10 o   16.446   2.5904   34.600   9.7272   0.0000   0.0000   34.600   9.7272  ?   ?    16.446   2.5904 0.000000 2.590372 
1 1 1   30   14   11 o   20.992   2.8360   56.900   13.698   0.0000   0.0000   56.900   13.698  ?   ?    20.992   2.8360 0.000000 2.835989 
1 1 1   30   14   12 o   8.6690   2.5334   9.7000   5.5120   0.0000   0.0000   9.7000   5.5120  ?   ?    8.6690   2.5334 0.000000 2.533372 
1 1 1   30   14   13 o   12.799   2.7826   21.700   8.1698   0.0000   0.0000   21.700   8.1698  ?   ?    12.799   2.7826 0.000000 2.782609 
1 1 1   30   14   14 o   8.1772   2.5345   8.6000   5.4005   0.0000   0.0000   8.6000   5.4005  ?   ?    8.1772   2.5345 0.000000 2.534545 
1 1 1   30   14   15 f   6.3194   2.2911   4.4000   4.4065   0.0000   0.0000   4.4000   4.4065  ?   ?    6.3194   2.2911 0.000000 2.291138 
1 1 1   30   14   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   14   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15    0 o   6.6067   2.8250   7.5000   4.4983   7.5000   4.4983   7.5000   4.4983   6.6067   2.8250   6.6067   2.8250 0.000000 0.000000 
1 1 1   30   15    1 o   11.121   1.6428   15.217   4.1842   21.000   6.0456   9.9000   5.7970   12.981   2.0396   8.8261   2.6034 4.154521 3.307212 
1 1 1   30   15    2 o   6.6350   1.9000   5.4828   3.1287   7.9000   5.0741   4.0000   3.9741   7.9635   2.4549   6.1078   2.1806 1.855705 3.283493 
1 1 1   30   15    3 o   30.703   2.2237  116.310   16.013  120.000   22.769  112.700   22.523   30.499   3.2097   29.487   3.2909 1.012302 4.596957 
1 1 1   30   15    4 o   6.0739   1.8259   4.5283   2.8310   4.7000   4.3292   4.4000   3.7420   6.4990   2.2803   6.2094   2.1230 0.2895341 3.115657 
1 1 1   30   15    5 o   22.521   1.8825   62.073   9.9191   70.000   14.239   54.600   13.825   23.562   2.6027   20.611   2.9225 2.951231 3.913406 
1 1 1   30   15    6 o   14.089   2.5519   25.400   8.1773   0.0000   0.0000   25.400   8.1773  ?   ?    14.089   2.5519 0.000000 2.551949 
1 1 1   30   15    7 o   18.242   2.6726   42.500   11.171   0.0000   0.0000   42.500   11.171  ?   ?    18.242   2.6726 0.000000 2.672582 
1 1 1   30   15    8 o   14.938   2.5711   28.600   8.7420   0.0000   0.0000   28.600   8.7420  ?   ?    14.938   2.5711 0.000000 2.571084 
1 1 1   30   15    9 o   14.405   2.5747   26.700   8.4365   0.0000   0.0000   26.700   8.4365  ?   ?    14.405   2.5747 0.000000 2.574655 
1 1 1   30   15   10 o   10.715   2.4587   14.900   6.0891   0.0000   0.0000   14.900   6.0891  ?   ?    10.715   2.4587 0.000000 2.458716 
1 1 1   30   15   11 o   8.7910   2.3438  10.0000   4.9541   0.0000   0.0000  10.0000   4.9541  ?   ?    8.7910   2.3438 0.000000 2.343761 
1 1 1   30   15   12 o   12.839   2.6092   21.600   7.6406   0.0000   0.0000   21.600   7.6406  ?   ?    12.839   2.6092 0.000000 2.609155 
1 1 1   30   15   13 o   4.4584   1.9362  -0.3000   3.7881   0.0000   0.0000  -0.3000   3.7881  ?   ?    4.4584   1.9362 0.000000 1.936217 
1 1 1   30   15   14 f   10.646   2.6846   15.200   6.7477   0.0000   0.0000   15.200   6.7477  ?   ?    10.646   2.6846 0.000000 2.684606 
1 1 1   30   15   15 o   25.258   3.2257   87.200   18.800   0.0000   0.0000   87.200   18.800  ?   ?    25.258   3.2257 0.000000 3.225712 
1 1 1   30   15   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   15   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16    0 o   18.617   2.8324   44.900   11.597   44.900   11.597   44.900   11.597   18.617   2.8324   18.617   2.8324 0.000000 0.000000 
1 1 1   30   16    1 f   3.2749   1.3957   0.0136   1.8987   0.4000   3.1821  -0.2000   2.3661   4.3410   1.8263   3.5672   1.5397 0.7738504 2.388716 
1 1 1   30   16    2 o   16.470   1.7977   33.286   6.8780   27.000   9.7550   39.500   9.6991   14.355   2.9755   17.725   2.3772 -3.369536 3.808487 
1 1 1   30   16    3 o   26.997   2.0917   89.845   13.231   90.400   18.804   89.300   18.620   26.462   3.0660   26.308   3.0541 0.1545124 4.327571 
1 1 1   30   16    4 o   49.698   3.1504  318.500   36.780  340.500   52.195  296.800   51.837   49.241   4.5400   45.354   4.9191 3.887459 6.693937 
1 1 1   30   16    5 o   16.091   1.9030   31.972   7.0905   30.000   10.731   33.500   9.4467   15.057   3.1205   16.207   2.5529 -1.149632 4.031745 
1 1 1   30   16    6 o   5.4275   2.0103   2.9000   3.4204   0.0000   0.0000   2.9000   3.4204  ?   ?    5.4275   2.0103 0.000000 2.010268 
1 1 1   30   16    7 o   16.166   2.5894   33.500   9.5509   0.0000   0.0000   33.500   9.5509  ?   ?    16.166   2.5894 0.000000 2.589383 
1 1 1   30   16    8 o   20.174   2.7434   52.400   12.730   0.0000   0.0000   52.400   12.730  ?   ?    20.174   2.7434 0.000000 2.743422 
1 1 1   30   16    9 o   7.4876   2.3603   7.0000   4.6615   0.0000   0.0000   7.0000   4.6615  ?   ?    7.4876   2.3603 0.000000 2.360291 
1 1 1   30   16   10 o   31.870   3.5108  137.400   25.983   0.0000   0.0000  137.400   25.983  ?   ?    31.870   3.5108 0.000000 3.510772 
1 1 1   30   16   11 o   10.873   2.4860   15.500   6.2437   0.0000   0.0000   15.500   6.2437  ?   ?    10.873   2.4860 0.000000 2.486034 
1 1 1   30   16   12 o   18.523   2.7318   45.000   11.590   0.0000   0.0000   45.000   11.590  ?   ?    18.523   2.7318 0.000000 2.731801 
1 1 1   30   16   13 o   12.675   2.7780   21.600   8.0848   0.0000   0.0000   21.600   8.0848  ?   ?    12.675   2.7780 0.000000 2.777961 
1 1 1   30   16   14 o   17.222   2.8032   39.600   11.008   0.0000   0.0000   39.600   11.008  ?   ?    17.222   2.8032 0.000000 2.803220 
1 1 1   30   16   15 o   11.321   2.6815   17.400   7.0579   0.0000   0.0000   17.400   7.0579  ?   ?    11.321   2.6815 0.000000 2.681456 
1 1 1   30   16   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   16   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17    0 o   20.767   3.2565   56.700   14.797   56.700   14.797   56.700   14.797   20.767   3.2565   20.767   3.2565 0.000000 0.000000 
1 1 1   30   17    1 o   17.896   1.8320   39.364   7.6325   38.700   10.914   40.000   10.678   17.329   2.7596   17.684   2.6378 -0.3554688 3.817478 
1 1 1   30   17    2 o   21.787   1.9717   58.514   10.034   53.800   14.369   63.000   14.017   20.279   3.0991   22.201   2.7315 -1.922100 4.131019 
1 1 1   30   17    3 o   10.305   1.7879   13.256   4.1927   13.800   6.2088   12.800   5.6845   10.299   2.5631   9.9456   2.4391 0.3537941 3.538163 
1 1 1   30   17    4 o   16.566   1.7026   33.631   6.5655   40.300   9.4869   27.500   9.0955   17.898   2.2977   14.542   2.7495 3.356342 3.583135 
1 1 1   30   17    5 o   12.925   2.4659   21.500   7.2518   0.0000   0.0000   21.500   7.2518  ?   ?    12.925   2.4659 0.000000 2.465940 
1 1 1   30   17    6 f   6.6822   2.2429   5.3000   4.1755   0.0000   0.0000   5.3000   4.1755  ?   ?    6.6822   2.2429 0.000000 2.242851 
1 1 1   30   17    7 o   16.397   2.6653   34.800   9.9652   0.0000   0.0000   34.800   9.9652  ?   ?    16.397   2.6653 0.000000 2.665315 
1 1 1   30   17    8 o   4.8670   1.8358   2.2000   2.8785   0.0000   0.0000   2.2000   2.8785  ?   ?    4.8670   1.8358 0.000000 1.835840 
1 1 1   30   17    9 o   25.150   3.0502   83.600   17.744   0.0000   0.0000   83.600   17.744  ?   ?    25.150   3.0502 0.000000 3.050183 
1 1 1   30   17   10 o   15.799   2.6204   32.600   9.4332   0.0000   0.0000   32.600   9.4332  ?   ?    15.799   2.6204 0.000000 2.620364 
1 1 1   30   17   11 o   10.284   2.5013   14.000   6.0157   0.0000   0.0000   14.000   6.0157  ?   ?    10.284   2.5013 0.000000 2.501267 
1 1 1   30   17   12 o   27.574   3.2826  103.900   20.953   0.0000   0.0000  103.900   20.953  ?   ?    27.574   3.2826 0.000000 3.282588 
1 1 1   30   17   13 o   9.6692   2.8455   12.700   6.9322   0.0000   0.0000   12.700   6.9322  ?   ?    9.6692   2.8455 0.000000 2.845475 
1 1 1   30   17   14 o   21.872   3.0018   65.200   15.095   0.0000   0.0000   65.200   15.095  ?   ?    21.872   3.0018 0.000000 3.001816 
1 1 1   30   17   15 o   14.269   2.7965   27.800   9.0852   0.0000   0.0000   27.800   9.0852  ?   ?    14.269   2.7965 0.000000 2.796451 
1 1 1   30   17   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   17   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18    0 o   30.918   3.3974  123.200   24.040  123.200   24.040  123.200   24.040   30.918   3.3974   30.918   3.3974 0.000000 0.000000 
1 1 1   30   18    1 o   12.813   1.8601   20.442   5.4635   20.000   7.6625   20.900   7.7922   12.350   2.7026   12.635   2.6940 -0.2846060 3.816001 
1 1 1   30   18    2 o   19.511   1.8541   46.921   8.4392   54.000   12.093   40.200   11.783   20.582   2.5423   17.495   2.9576 3.086740 3.900084 
1 1 1   30   18    3 o   8.1456   1.8111   8.4021   3.3934   10.700   5.0424   6.5000   4.5878   9.0920   2.3361   7.2647   2.3470 1.827299 3.311507 
1 1 1   30   18    4 o   32.518   3.5460  142.800   26.787   0.0000   0.0000  142.800   26.787  ?   ?    32.518   3.5460 0.000000 3.546030 
1 1 1   30   18    5 o   18.500   2.7172   44.400   11.516   0.0000   0.0000   44.400   11.516  ?   ?    18.500   2.7172 0.000000 2.717192 
1 1 1   30   18    6 o   18.175   2.6915   42.900   11.202   0.0000   0.0000   42.900   11.202  ?   ?    18.175   2.6915 0.000000 2.691534 
1 1 1   30   18    7 o   15.008   2.6208   29.400   8.9502   0.0000   0.0000   29.400   8.9502  ?   ?    15.008   2.6208 0.000000 2.620795 
1 1 1   30   18    8 o   14.019   2.5642   25.700   8.1755   0.0000   0.0000   25.700   8.1755  ?   ?    14.019   2.5642 0.000000 2.564156 
1 1 1   30   18    9 o   12.883   2.5858   21.900   7.5926   0.0000   0.0000   21.900   7.5926  ?   ?    12.883   2.5858 0.000000 2.585771 
1 1 1   30   18   10 o   33.731   3.7803  161.300   29.593   0.0000   0.0000  161.300   29.593  ?   ?    33.731   3.7803 0.000000 3.780278 
1 1 1   30   18   11 o   18.219   2.7411   44.000   11.427   0.0000   0.0000   44.000   11.427  ?   ?    18.219   2.7411 0.000000 2.741081 
1 1 1   30   18   12 o   13.562   2.8157   25.000   8.7223   0.0000   0.0000   25.000   8.7223  ?   ?    13.562   2.8157 0.000000 2.815722 
1 1 1   30   18   13 o   13.833   2.8092   26.100   8.8629   0.0000   0.0000   26.100   8.8629  ?   ?    13.833   2.8092 0.000000 2.809159 
1 1 1   30   18   14 o   7.8620   2.6461   8.0000   5.8121   0.0000   0.0000   8.0000   5.8121  ?   ?    7.8620   2.6461 0.000000 2.646103 
1 1 1   30   18   15 o   19.007   2.9335   49.700   12.743   0.0000   0.0000   49.700   12.743  ?   ?    19.007   2.9335 0.000000 2.933491 
1 1 1   30   18   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   18   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19    0 o   6.1973   3.0184   7.0000   5.1961   7.0000   5.1961   7.0000   5.1961   6.1973   3.0184   6.1973   3.0184 0.000000 0.000000 
1 1 1   30   19    1 o  ?   ?   -5.2312   0.6488  -5.7000   0.8902  -4.7000   0.9476  ?   ?   ?   ?  0.000000      ? 
1 1 1   30   19    2 o   8.7960   1.9114   9.8621   3.8566   11.700   5.3670   7.9000   5.5456   9.4629   2.3987   7.9281   2.5819 1.534811 3.524203 
1 1 1   30   19    3 o   16.246   2.6902   34.500   9.9591   0.0000   0.0000   34.500   9.9591  ?   ?    16.246   2.6902 0.000000 2.690233 
1 1 1   30   19    4 f   11.201   2.5221   16.500   6.5105   0.0000   0.0000   16.500   6.5105  ?   ?    11.201   2.5221 0.000000 2.522091 
1 1 1   30   19    5 o   8.8299   2.3939   10.200   5.1169   0.0000   0.0000   10.200   5.1169  ?   ?    8.8299   2.3939 0.000000 2.393930 
1 1 1   30   19    6 o   13.987   2.5918   25.700   8.2451   0.0000   0.0000   25.700   8.2451  ?   ?    13.987   2.5918 0.000000 2.591809 
1 1 1   30   19    7 o   24.213   3.0128   78.300   16.853   0.0000   0.0000   78.300   16.853  ?   ?    24.213   3.0128 0.000000 3.012796 
1 1 1   30   19    8 o   11.369   2.5048   17.100   6.5430   0.0000   0.0000   17.100   6.5430  ?   ?    11.369   2.5048 0.000000 2.504832 
1 1 1   30   19    9 o   9.0877   2.3581   10.900   5.1039   0.0000   0.0000   10.900   5.1039  ?   ?    9.0877   2.3581 0.000000 2.358091 
1 1 1   30   19   10 o   4.1059   1.6761   0.9000   2.5703   0.0000   0.0000   0.9000   2.5703  ?   ?    4.1059   1.6761 0.000000 1.676129 
1 1 1   30   19   11 o   12.378   2.6629   20.700   7.5525   0.0000   0.0000   20.700   7.5525  ?   ?    12.378   2.6629 0.000000 2.662942 
1 1 1   30   19   12 o   7.9412   2.6316   8.2000   5.7517   0.0000   0.0000   8.2000   5.7517  ?   ?    7.9412   2.6316 0.000000 2.631597 
1 1 1   30   19   13 o   18.899   2.9724   49.200   12.827   0.0000   0.0000   49.200   12.827  ?   ?    18.899   2.9724 0.000000 2.972376 
1 1 1   30   19   14 o   14.911   2.9039   30.800   9.8571   0.0000   0.0000   30.800   9.8571  ?   ?    14.911   2.9039 0.000000 2.903872 
1 1 1   30   19   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   19   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20    0 o   16.263   2.9531   35.600   10.233   35.600   10.233   35.600   10.233   16.263   2.9531   16.263   2.9531 0.000000 0.000000 
1 1 1   30   20    1 o   12.413   1.8107   19.314   5.1514   19.900   7.1996   18.700   7.3740   12.275   2.5664   11.831   2.6992 0.4442234 3.724496 
1 1 1   30   20    2 o   8.0283   2.5174   8.3000   5.3102   0.0000   0.0000   8.3000   5.3102  ?   ?    8.0283   2.5174 0.000000 2.517370 
1 1 1   30   20    3 o   19.320   2.8219   49.400   12.494   0.0000   0.0000   49.400   12.494  ?   ?    19.320   2.8219 0.000000 2.821944 
1 1 1   30   20    4 o   21.225   2.9484   60.100   14.378   0.0000   0.0000   60.100   14.378  ?   ?    21.225   2.9484 0.000000 2.948410 
1 1 1   30   20    5 o   17.274   2.7457   39.500   10.825   0.0000   0.0000   39.500   10.825  ?   ?    17.274   2.7457 0.000000 2.745669 
1 1 1   30   20    6 o   25.134   3.1277   85.600   18.162   0.0000   0.0000   85.600   18.162  ?   ?    25.134   3.1277 0.000000 3.127683 
1 1 1   30   20    7 f   14.288   2.6050   27.100   8.4650   0.0000   0.0000   27.100   8.4650  ?   ?    14.288   2.6050 0.000000 2.604990 
1 1 1   30   20    8 o   10.578   2.5237   15.000   6.2157   0.0000   0.0000   15.000   6.2157  ?   ?    10.578   2.5237 0.000000 2.523674 
1 1 1   30   20    9 o   26.936   3.2452  100.600   20.226   0.0000   0.0000  100.600   20.226  ?   ?    26.936   3.2452 0.000000 3.245206 
1 1 1   30   20   10 o   17.254   2.6947   39.900   10.620   0.0000   0.0000   39.900   10.620  ?   ?    17.254   2.6947 0.000000 2.694708 
1 1 1   30   20   11 o   2.3112   1.1413  -4.9000   2.2625   0.0000   0.0000  -4.9000   2.2625  ?   ?    2.3112   1.1413 0.000000 1.141286 
1 1 1   30   20   12 o   27.824   3.4904  111.300   22.428   0.0000   0.0000  111.300   22.428  ?   ?    27.824   3.4904 0.000000 3.490448 
1 1 1   30   20   13 o   10.089   2.6384   14.000   6.3569   0.0000   0.0000   14.000   6.3569  ?   ?    10.089   2.6384 0.000000 2.638390 
1 1 1   30   20   14 o   20.095   2.9954   56.300   13.780   0.0000   0.0000   56.300   13.780  ?   ?    20.095   2.9954 0.000000 2.995398 
1 1 1   30   20   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   20   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   21    0 o   14.679   2.9967   29.700   9.1869   29.700   9.1869   29.700   9.1869   14.679   2.9967   14.679   2.9967 0.000000 0.000000 
1 1 1   30   21    1 o   17.192   2.7592   39.400   10.823   0.0000   0.0000   39.400   10.823  ?   ?    17.192   2.7592 0.000000 2.759250 
1 1 1   30   21    2 o   16.196   2.7350   35.000   10.087   0.0000   0.0000   35.000   10.087  ?   ?    16.196   2.7350 0.000000 2.734990 
1 1 1   30   21    3 o   14.336   2.6477   27.400   8.6333   0.0000   0.0000   27.400   8.6333  ?   ?    14.336   2.6477 0.000000 2.647736 
1 1 1   30   21    4 o   10.923   2.6322   16.100   6.7092   0.0000   0.0000   16.100   6.7092  ?   ?    10.923   2.6322 0.000000 2.632175 
1 1 1   30   21    5 o   9.3801   2.5178   11.800   5.6937   0.0000   0.0000   11.800   5.6937  ?   ?    9.3801   2.5178 0.000000 2.517797 
1 1 1   30   21    6 o   17.475   2.7980   41.100   11.156   0.0000   0.0000   41.100   11.156  ?   ?    17.475   2.7980 0.000000 2.798049 
1 1 1   30   21    7 o   17.404   2.8346   41.000   11.248   0.0000   0.0000   41.000   11.248  ?   ?    17.404   2.8346 0.000000 2.834561 
1 1 1   30   21    8 o   20.541   2.8707   57.200   13.544   0.0000   0.0000   57.200   13.544  ?   ?    20.541   2.8707 0.000000 2.870717 
1 1 1   30   21    9 o   10.835   2.4794   15.800   6.2065   0.0000   0.0000   15.800   6.2065  ?   ?    10.835   2.4794 0.000000 2.479436 
1 1 1   30   21   10 o   28.196   3.4293  113.500   22.362   0.0000   0.0000  113.500   22.362  ?   ?    28.196   3.4293 0.000000 3.429263 
1 1 1   30   21   11 o   13.184   2.7575   23.900   8.3089   0.0000   0.0000   23.900   8.3089  ?   ?    13.184   2.7575 0.000000 2.757527 
1 1 1   30   21   12 o   3.0576   1.4546  -3.4000   2.8738   0.0000   0.0000  -3.4000   2.8738  ?   ?    3.0576   1.4546 0.000000 1.454610 
1 1 1   30   21   13 o   14.046   2.7834   27.300   8.9059   0.0000   0.0000   27.300   8.9059  ?   ?    14.046   2.7834 0.000000 2.783446 
1 1 1   30   21   14 o   9.3138   2.8633   12.200   6.9084   0.0000   0.0000   12.200   6.9084  ?   ?    9.3138   2.8633 0.000000 2.863316 
1 1 1   30   21   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   21   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   21   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   21   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   21   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   22    1 o   34.481   4.0002  176.800   31.965   0.0000   0.0000  176.800   31.965  ?   ?    34.481   4.0002 0.000000 4.000222 
1 1 1   30   22    2 o   9.4502   2.6245   12.100   6.0655   0.0000   0.0000   12.100   6.0655  ?   ?    9.4502   2.6245 0.000000 2.624542 
1 1 1   30   22    3 o   4.6160   1.9316   0.8000   3.5294   0.0000   0.0000   0.8000   3.5294  ?   ?    4.6160   1.9316 0.000000 1.931575 
1 1 1   30   22    4 o   11.169   2.6024   16.900   6.7366   0.0000   0.0000   16.900   6.7366  ?   ?    11.169   2.6024 0.000000 2.602437 
1 1 1   30   22    5 o   5.6199   2.1622   3.0000   4.0429   0.0000   0.0000   3.0000   4.0429  ?   ?    5.6199   2.1622 0.000000 2.162229 
1 1 1   30   22    6 o   17.547   2.8468   41.900   11.391   0.0000   0.0000   41.900   11.391  ?   ?    17.547   2.8468 0.000000 2.846763 
1 1 1   30   22    7 o   11.304   2.5627   17.300   6.6827   0.0000   0.0000   17.300   6.6827  ?   ?    11.304   2.5627 0.000000 2.562699 
1 1 1   30   22    8 o   24.631   3.2376   85.300   18.375   0.0000   0.0000   85.300   18.375  ?   ?    24.631   3.2376 0.000000 3.237583 
1 1 1   30   22    9 o   10.384   2.5457   14.700   6.1941   0.0000   0.0000   14.700   6.1941  ?   ?    10.384   2.5457 0.000000 2.545724 
1 1 1   30   22   10 o   16.987   2.9161   40.000   11.276   0.0000   0.0000   40.000   11.276  ?   ?    16.987   2.9161 0.000000 2.916076 
1 1 1   30   22   11 o   19.468   2.9071   52.400   12.955   0.0000   0.0000   52.400   12.955  ?   ?    19.468   2.9071 0.000000 2.907057 
1 1 1   30   22   12 o   4.3449   1.9210  -0.7000   3.8813   0.0000   0.0000  -0.7000   3.8813  ?   ?    4.3449   1.9210 0.000000 1.921037 
1 1 1   30   22   13 o   15.635   2.9119   34.300   10.355   0.0000   0.0000   34.300   10.355  ?   ?    15.635   2.9119 0.000000 2.911922 
1 1 1   30   22   14 o   23.290   3.1988   77.500   17.128   0.0000   0.0000   77.500   17.128  ?   ?    23.290   3.1988 0.000000 3.198833 
1 1 1   30   22   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   22   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   22   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23    2 o   2.0852   1.0206  -3.2000   1.6842   0.0000   0.0000  -3.2000   1.6842  ?   ?    2.0852   1.0206 0.000000 1.020568 
1 1 1   30   23    3 o   16.977   2.8043   39.200   10.850   0.0000   0.0000   39.200   10.850  ?   ?    16.977   2.8043 0.000000 2.804304 
1 1 1   30   23    4 o   11.047   2.5843   16.600   6.6216   0.0000   0.0000   16.600   6.6216  ?   ?    11.047   2.5843 0.000000 2.584280 
1 1 1   30   23    5 o   12.300   2.7324   20.800   7.7300   0.0000   0.0000   20.800   7.7300  ?   ?    12.300   2.7324 0.000000 2.732395 
1 1 1   30   23    6 f   13.957   2.7413   26.700   8.7124   0.0000   0.0000   26.700   8.7124  ?   ?    13.957   2.7413 0.000000 2.741296 
1 1 1   30   23    7 o   11.777   2.6361   19.000   7.1483   0.0000   0.0000   19.000   7.1483  ?   ?    11.777   2.6361 0.000000 2.636136 
1 1 1   30   23    8 o   6.9854   2.3374   6.2000   4.5348   0.0000   0.0000   6.2000   4.5348  ?   ?    6.9854   2.3374 0.000000 2.337409 
1 1 1   30   23    9 o   8.1144   2.6784   8.8000   5.9605   0.0000   0.0000   8.8000   5.9605  ?   ?    8.1144   2.6784 0.000000 2.678435 
1 1 1   30   23   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23   12 o   12.465   2.9501   22.100   8.5486   0.0000   0.0000   22.100   8.5486  ?   ?    12.465   2.9501 0.000000 2.950126 
1 1 1   30   23   13 o   25.448   3.3417   93.700   19.596   0.0000   0.0000   93.700   19.596  ?   ?    25.448   3.3417 0.000000 3.341684 
1 1 1   30   23   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   23   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24    3 o   2.8730   1.3992  -5.2000   3.0541   0.0000   0.0000  -5.2000   3.0541  ?   ?    2.8730   1.3992 0.000000 1.399221 
1 1 1   30   24    4 o   13.148   2.6949   23.700   8.0855   0.0000   0.0000   23.700   8.0855  ?   ?    13.148   2.6949 0.000000 2.694854 
1 1 1   30   24    5 o   13.358   2.7457   24.600   8.3710   0.0000   0.0000   24.600   8.3710  ?   ?    13.358   2.7457 0.000000 2.745680 
1 1 1   30   24    6 o   14.384   2.7200   28.400   8.9003   0.0000   0.0000   28.400   8.9003  ?   ?    14.384   2.7200 0.000000 2.719988 
1 1 1   30   24    7 o   19.944   2.9063   55.100   13.285   0.0000   0.0000   55.100   13.285  ?   ?    19.944   2.9063 0.000000 2.906282 
1 1 1   30   24    8 o   4.0347   1.8372  -1.9000   3.8513   0.0000   0.0000  -1.9000   3.8513  ?   ?    4.0347   1.8372 0.000000 1.837221 
1 1 1   30   24    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   24   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    4 o   13.037   3.0121   24.200   9.0863   0.0000   0.0000   24.200   9.0863  ?   ?    13.037   3.0121 0.000000 3.012131 
1 1 1   30   25    5 o   17.834   3.0339   44.700   12.319   0.0000   0.0000   44.700   12.319  ?   ?    17.834   3.0339 0.000000 3.033895 
1 1 1   30   25    6 o   5.1944   2.0280   2.4000   3.5971   0.0000   0.0000   2.4000   3.5971  ?   ?    5.1944   2.0280 0.000000 2.027991 
1 1 1   30   25    7 o   11.740   2.7571   19.200   7.5128   0.0000   0.0000   19.200   7.5128  ?   ?    11.740   2.7571 0.000000 2.757074 
1 1 1   30   25    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   25   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    6 o   12.594   2.7770   22.200   8.0364   0.0000   0.0000   22.200   8.0364  ?   ?    12.594   2.7770 0.000000 2.777010 
1 1 1   30   26    7 o   7.1005   2.6391   6.0000   5.9048   0.0000   0.0000   6.0000   5.9048  ?   ?    7.1005   2.6391 0.000000 2.639057 
1 1 1   30   26    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   26    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   27    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   27    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   27    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   27    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   30   27    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0    1 o   5.4215   2.5688   5.2000   3.7339   5.2000   3.7339   5.2000   3.7339   5.4215   2.5688   5.4215   2.5688 0.000000 0.000000 
1 1 1   31    0    2 o   3.5471   2.1030   1.6909   3.0549   1.6909   3.0549   1.6909   3.0549   3.5471   2.1030   3.5471   2.1030 0.000000 0.000000 
1 1 1   31    0    3 o   34.412   2.5320  145.459   20.319  145.459   20.319  145.459   20.319   34.412   2.5320   34.412   2.5320 0.000000 0.000000 
1 1 1   31    0    4 o   4.8637   2.4574   4.1989   3.5018   4.1989   3.5018   4.1989   3.5018   4.8637   2.4574   4.8637   2.4574 0.000000 0.000000 
1 1 1   31    0    5 o   57.414   3.4256  411.028   46.063  411.028   46.063  411.028   46.063   57.414   3.4256   57.414   3.4256 0.000000 0.000000 
1 1 1   31    0    6 o   21.814   2.0081   58.469   10.142   58.469   10.142   58.469   10.142   21.814   2.0081   21.814   2.0081 0.000000 0.000000 
1 1 1   31    0    7 f   19.003   2.9115   46.800   12.153   46.800   12.153   46.800   12.153   19.003   2.9115   19.003   2.9115 0.000000 0.000000 
1 1 1   31    0    8 o   22.892   3.1326   67.500   16.034   67.500   16.034   67.500   16.034   22.892   3.1326   22.892   3.1326 0.000000 0.000000 
1 1 1   31    0    9 o   13.687   3.3917   26.600   9.4881   26.600   9.4881   26.600   9.4881   13.687   3.3917   13.687   3.3917 0.000000 0.000000 
1 1 1   31    0   10 o  ?   ?  -11.6000   2.5919 -11.6000   2.5919 -11.6000   2.5919  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   31    0   11 o   27.471   3.2466   96.800   20.287   96.800   20.287   96.800   20.287   27.471   3.2466   27.471   3.2466 0.000000 0.000000 
1 1 1   31    0   12 o   20.906   3.0663   56.900   14.184   56.900   14.184   56.900   14.184   20.906   3.0663   20.906   3.0663 0.000000 0.000000 
1 1 1   31    0   13 o   1.5305   1.0892  -2.4000   1.7115  -2.4000   1.7115  -2.4000   1.7115   1.5305   1.0892   1.5305   1.0892 0.000000 0.000000 
1 1 1   31    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    0   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1    0 o   28.354   3.2034  102.000   20.743  102.000   20.743  102.000   20.743   28.354   3.2034   28.354   3.2034 0.000000 0.000000 
1 1 1   31    1    1 o  ?   ?   -2.5580   0.6512   0.6000   0.7610 -11.2000   1.2588   2.5573   0.9480  ?   ?  0.000000 0.9480010 
1 1 1   31    1    2 o   28.643   2.1029  100.644   14.124  122.600   20.047   79.000   19.903   31.230   2.7463   24.534   3.5378 6.696049 4.478596 
1 1 1   31    1    3 o   18.933   1.8304   43.792   8.0813   34.400   11.454   53.100   11.403   16.256   3.0970   20.639   2.3836 -4.383083 3.908052 
1 1 1   31    1    4 o   11.078   1.6937   15.129   4.2899   9.5000   5.8455   21.700   6.3154   8.6796   2.6270   13.186   2.0986 -4.506764 3.362334 
1 1 1   31    1    5 f   24.257   1.9326   71.928   10.978   60.500   15.412   83.700   15.642   21.662   3.1014   25.837   2.5992 -4.174868 4.046521 
1 1 1   31    1    6 o   23.838   1.9543   69.557   10.904   74.500   15.489   64.700   15.353   24.269   2.7514   22.481   2.9643 1.788227 4.044439 
1 1 1   31    1    7 o   23.139   2.8893   68.300   15.443   0.0000   0.0000   68.300   15.443  ?   ?    23.139   2.8893 0.000000 2.889334 
1 1 1   31    1    8 o   11.838   2.5280   18.000   6.8516   0.0000   0.0000   18.000   6.8516  ?   ?    11.838   2.5280 0.000000 2.527967 
1 1 1   31    1    9 o   30.520   3.3234  121.200   23.564   0.0000   0.0000  121.200   23.564  ?   ?    30.520   3.3234 0.000000 3.323380 
1 1 1   31    1   10 o   7.8410   2.3961   7.7000   4.8461   0.0000   0.0000   7.7000   4.8461  ?   ?    7.8410   2.3961 0.000000 2.396085 
1 1 1   31    1   11 o   29.013   3.2941  110.300   22.168   0.0000   0.0000  110.300   22.168  ?   ?    29.013   3.2941 0.000000 3.294069 
1 1 1   31    1   12 o   34.802   3.6991  163.100   29.933   0.0000   0.0000  163.100   29.933  ?   ?    34.802   3.6991 0.000000 3.699068 
1 1 1   31    1   13 o   22.741   2.8973   67.100   15.205   0.0000   0.0000   67.100   15.205  ?   ?    22.741   2.8973 0.000000 2.897286 
1 1 1   31    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    1   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2    0 o   6.4784   2.8600   7.3000   4.5981   7.3000   4.5981   7.3000   4.5981   6.4784   2.8600   6.4784   2.8600 0.000000 0.000000 
1 1 1   31    2    1 o   17.634   1.8067   37.996   7.4168   39.400   10.502   36.600   10.475   17.657   2.5964   16.960   2.7067 0.6973000 3.750660 
1 1 1   31    2    2 o   38.707   2.5807  186.689   23.453  166.000   33.119  207.500   33.217   35.176   4.0619   39.897   3.5632 -4.720993 5.403272 
1 1 1   31    2    3 o   20.515   1.7481   51.210   8.3876   64.500   12.021   38.600   11.709   22.826   2.2599   17.301   2.9733 5.525932 3.734624 
1 1 1   31    2    4 o   15.979   1.7737   31.238   6.5799   35.000   9.3201   27.500   9.2909   16.684   2.4377   14.615   2.7940 2.068655 3.707886 
1 1 1   31    2    5 o   21.090   1.8656   54.344   9.1953   45.700   12.926   63.200   13.084   18.828   3.0087   22.466   2.5092 -3.637980 3.917722 
1 1 1   31    2    6 o   35.013   2.4496  152.333   20.125  146.400   28.541  158.200   28.382   33.304   3.6914   34.811   3.5003 -1.506977 5.087041 
1 1 1   31    2    7 o   14.936   2.6340   28.500   8.9502   0.0000   0.0000   28.500   8.9502  ?   ?    14.936   2.6340 0.000000 2.633995 
1 1 1   31    2    8 o   36.432   3.7629  176.200   31.906   0.0000   0.0000  176.200   31.906  ?   ?    36.432   3.7629 0.000000 3.762900 
1 1 1   31    2    9 o   11.458   2.5168   16.900   6.6236   0.0000   0.0000   16.900   6.6236  ?   ?    11.458   2.5168 0.000000 2.516825 
1 1 1   31    2   10 o   16.256   2.6913   33.900   9.9692   0.0000   0.0000   33.900   9.9692  ?   ?    16.256   2.6913 0.000000 2.691288 
1 1 1   31    2   11 o   25.983   3.0577   87.500   18.402   0.0000   0.0000   87.500   18.402  ?   ?    25.983   3.0577 0.000000 3.057709 
1 1 1   31    2   12 o   19.834   2.7856   50.700   12.687   0.0000   0.0000   50.700   12.687  ?   ?    19.834   2.7856 0.000000 2.785636 
1 1 1   31    2   13 o   28.692   3.2404  108.700   21.570   0.0000   0.0000  108.700   21.570  ?   ?    28.692   3.2404 0.000000 3.240419 
1 1 1   31    2   14 o   23.181   3.0208   70.700   16.142   0.0000   0.0000   70.700   16.142  ?   ?    23.181   3.0208 0.000000 3.020832 
1 1 1   31    2   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    2   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3    0 o   30.592   3.3033  118.700   23.158  118.700   23.158  118.700   23.158   30.592   3.3033   30.592   3.3033 0.000000 0.000000 
1 1 1   31    3    1 o   14.855   1.7715   27.035   6.0917   29.100   8.6477   25.000   8.5826   15.165   2.5021   13.958   2.7016 1.206821 3.682263 
1 1 1   31    3    2 o   6.8601   1.8359   5.8987   3.0327   7.4000   3.9719   3.8000   4.6961   7.6643   2.1222   6.2775   2.3495 1.386795 3.166005 
1 1 1   31    3    3 o   31.744   2.2711  124.318   16.912  132.100   23.966  116.600   23.867   32.064   3.2084   29.932   3.4392 2.131514 4.703412 
1 1 1   31    3    4 o   28.976   2.1587  103.267   14.665   95.700   20.694  110.900   20.784   27.189   3.2901   29.481   3.0287 -2.291500 4.471850 
1 1 1   31    3    5 o   15.180   1.7635   28.224   6.2037   30.700   8.8203   25.800   8.7273   15.584   2.4799   14.173   2.7063 1.410712 3.670712 
1 1 1   31    3    6 o   11.818   1.9859   17.431   5.3457   7.0000   7.8622   26.400   7.2901   8.1757   3.0439   14.531   2.1928 -6.355529 3.751481 
1 1 1   31    3    7 o   15.758   2.5972   31.600   9.3277   0.0000   0.0000   31.600   9.3277  ?   ?    15.758   2.5972 0.000000 2.597225 
1 1 1   31    3    8 o   9.5776   2.4860   11.800   5.6713   0.0000   0.0000   11.800   5.6713  ?   ?    9.5776   2.4860 0.000000 2.485957 
1 1 1   31    3    9 o   32.836   3.5140  141.800   26.823   0.0000   0.0000  141.800   26.823  ?   ?    32.836   3.5140 0.000000 3.513984 
1 1 1   31    3   10 o   4.8643   1.9636   1.4000   3.4820   0.0000   0.0000   1.4000   3.4820  ?   ?    4.8643   1.9636 0.000000 1.963602 
1 1 1   31    3   11 o   33.218   3.5524  146.800   27.433   0.0000   0.0000  146.800   27.433  ?   ?    33.218   3.5524 0.000000 3.552427 
1 1 1   31    3   12 o   20.314   2.7567   53.100   12.882   0.0000   0.0000   53.100   12.882  ?   ?    20.314   2.7567 0.000000 2.756719 
1 1 1   31    3   13 o   18.631   2.7651   45.000   11.796   0.0000   0.0000   45.000   11.796  ?   ?    18.631   2.7651 0.000000 2.765102 
1 1 1   31    3   14 o   24.495   3.1052   79.400   17.558   0.0000   0.0000   79.400   17.558  ?   ?    24.495   3.1052 0.000000 3.105199 
1 1 1   31    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    3   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4    0 o   3.2136   1.9234   1.3000   2.6012   1.3000   2.6012   1.3000   2.6012   3.2136   1.9234   3.2136   1.9234 0.000000 0.000000 
1 1 1   31    4    1 o   12.901   1.7981   20.500   5.3287   22.800   7.5359   18.200   7.5359   13.395   2.4736   11.855   2.7460 1.540380 3.695788 
1 1 1   31    4    2 o   35.243   2.4260  154.013   20.066  176.300   28.401  131.800   28.355   37.003   3.2845   31.437   3.9037 5.566345 5.101638 
1 1 1   31    4    3 o   9.9113   1.7043   12.175   3.8449   17.800   5.6743   7.4000   5.2280   11.917   2.0928   7.7848   2.5045 4.132366 3.263750 
1 1 1   31    4    4 o   35.004   2.4288  152.053   19.952  157.800   28.209  146.300   28.223   34.801   3.4793   33.354   3.6427 1.447826 5.037299 
1 1 1   31    4    5 o   5.7613   1.7222   4.0643   2.5239   0.3000   3.3974   8.7000   3.7702   4.4445   1.8793   8.2977   1.9561 -3.853173 2.712603 
1 1 1   31    4    6 o   23.445   1.9997   67.435   10.965   66.400   15.789   68.400   15.239   22.739   3.0148   23.184   2.8432 -0.4445992 4.144005 
1 1 1   31    4    7 o   27.443   3.1120   96.900   19.810   0.0000   0.0000   96.900   19.810  ?   ?    27.443   3.1120 0.000000 3.112019 
1 1 1   31    4    8 o   35.056   3.6773  162.700   29.987   0.0000   0.0000  162.700   29.987  ?   ?    35.056   3.6773 0.000000 3.677339 
1 1 1   31    4    9 o   38.342   3.9527  198.400   35.274   0.0000   0.0000  198.400   35.274  ?   ?    38.342   3.9527 0.000000 3.952672 
1 1 1   31    4   10 o   20.956   2.8299   56.400   13.645   0.0000   0.0000   56.400   13.645  ?   ?    20.956   2.8299 0.000000 2.829901 
1 1 1   31    4   11 o  ?   ?   -6.1000   0.9620   0.0000   0.0000  -6.1000   0.9620  ?   ?   ?   ?  0.000000      ? 
1 1 1   31    4   12 o   6.9627   2.3787   5.7000   4.6976   0.0000   0.0000   5.7000   4.6976  ?   ?    6.9627   2.3787 0.000000 2.378748 
1 1 1   31    4   13 o   8.9864   2.5145   10.500   5.5457   0.0000   0.0000   10.500   5.5457  ?   ?    8.9864   2.5145 0.000000 2.514489 
1 1 1   31    4   14 o   5.8228   2.2987   2.7000   4.6661   0.0000   0.0000   2.7000   4.6661  ?   ?    5.8228   2.2987 0.000000 2.298694 
1 1 1   31    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    4   26 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5    0 o   15.050   2.8344   30.100   9.0294   30.100   9.0294   30.100   9.0294   15.050   2.8344   15.050   2.8344 0.000000 0.000000 
1 1 1   31    5    1 f   20.090   1.9061   49.414   8.9346   55.200   12.515   43.400   12.760   20.946   2.5850   18.317   3.0578 2.629187 4.004041 
1 1 1   31    5    2 o   18.061   1.8710   39.963   7.8636   49.800   11.032   29.800   11.212   19.971   2.3865   15.026   3.2542 4.944888 4.035498 
1 1 1   31    5    3 o   28.253   2.1332   98.143   14.127   94.200   19.962  102.100   19.996   27.035   3.1883   28.257   3.0448 -1.222609 4.408648 
1 1 1   31    5    4 o   17.463   1.7752   37.263   7.2183   41.100   10.259   33.500   10.159   18.080   2.4673   16.172   2.7592 1.908312 3.701465 
1 1 1   31    5    5 o   9.8695   1.8606   12.180   4.1773   7.0000   5.9542   17.200   5.8621   7.7561   2.6769   11.669   2.2082 -3.913238 3.470206 
1 1 1   31    5    6 o   17.978   1.8392   39.585   7.6976   40.800   10.954   38.400   10.819   17.913   2.6715   17.341   2.7326 0.5720844 3.821467 
1 1 1   31    5    7 o   18.787   2.7396   45.000   11.796   0.0000   0.0000   45.000   11.796  ?   ?    18.787   2.7396 0.000000 2.739616 
1 1 1   31    5    8 o   33.013   3.5000  143.200   26.868   0.0000   0.0000  143.200   26.868  ?   ?    33.013   3.5000 0.000000 3.499968 
1 1 1   31    5    9 o   4.2576   1.7483   0.8000   2.8170   0.0000   0.0000   0.8000   2.8170  ?   ?    4.2576   1.7483 0.000000 1.748296 
1 1 1   31    5   10 o   24.895   2.9919   80.100   17.236   0.0000   0.0000   80.100   17.236  ?   ?    24.895   2.9919 0.000000 2.991914 
1 1 1   31    5   11 o   6.1541   2.2050   4.1000   4.0669   0.0000   0.0000   4.1000   4.0669  ?   ?    6.1541   2.2050 0.000000 2.204994 
1 1 1   31    5   12 o   16.114   2.6306   33.500   9.6639   0.0000   0.0000   33.500   9.6639  ?   ?    16.114   2.6306 0.000000 2.630586 
1 1 1   31    5   13 o   6.1727   2.1227   4.4000   3.7424   0.0000   0.0000   4.4000   3.7424  ?   ?    6.1727   2.1227 0.000000 2.122737 
1 1 1   31    5   14 o   18.880   2.8530   46.900   12.322   0.0000   0.0000   46.900   12.322  ?   ?    18.880   2.8530 0.000000 2.852987 
1 1 1   31    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    5   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6    0 o   4.6078   2.5325   3.6000   3.9769   3.6000   3.9769   3.6000   3.9769   4.6078   2.5325   4.6078   2.5325 0.000000 0.000000 
1 1 1   31    6    1 o   15.547   1.7939   29.623   6.4646   32.400   9.0273   26.700   9.2618   16.023   2.4648   14.374   2.8294 1.649448 3.752475 
1 1 1   31    6    2 o   13.666   1.7702   22.948   5.5784   22.800   7.8289   23.100   7.9506   13.350   2.5768   13.431   2.6009 -0.8071136E-01 3.661224 
1 1 1   31    6    3 o   35.223   2.4487  154.162   20.240  159.300   28.591  149.000   28.658   34.914   3.5157   33.617   3.6698 1.297306 5.082052 
1 1 1   31    6    4 o   13.705   1.7366   23.050   5.4941   20.200   7.7698   25.900   7.7698   12.499   2.7105   14.321   2.3812 -1.821659 3.607932 
1 1 1   31    6    5 o   6.3332   1.8703   4.9558   2.9902   4.0000   4.1384   6.0000   4.3254   6.1589   2.2223   7.0504   2.2791 -0.8914165 3.183190 
1 1 1   31    6    6 o   16.492   1.7538   33.271   6.7252   42.700   10.115   25.800   9.0037   18.461   2.3754   14.121   2.7990 4.339509 3.671100 
1 1 1   31    6    7 o   34.936   3.6499  161.500   29.666   0.0000   0.0000  161.500   29.666  ?   ?    34.936   3.6499 0.000000 3.649898 
1 1 1   31    6    8 o   14.113   2.5532   25.500   8.1951   0.0000   0.0000   25.500   8.1951  ?   ?    14.113   2.5532 0.000000 2.553163 
1 1 1   31    6    9 o   31.103   3.3829  127.200   24.445   0.0000   0.0000  127.200   24.445  ?   ?    31.103   3.3829 0.000000 3.382869 
1 1 1   31    6   10 o   21.426   2.7981   59.000   13.818   0.0000   0.0000   59.000   13.818  ?   ?    21.426   2.7981 0.000000 2.798065 
1 1 1   31    6   11 o   10.641   2.6028   14.800   6.4861   0.0000   0.0000   14.800   6.4861  ?   ?    10.641   2.6028 0.000000 2.602822 
1 1 1   31    6   12 o   30.035   3.3409  120.100   23.293   0.0000   0.0000  120.100   23.293  ?   ?    30.035   3.3409 0.000000 3.340924 
1 1 1   31    6   13 o   22.321   3.0788   66.000   15.795   0.0000   0.0000   66.000   15.795  ?   ?    22.321   3.0788 0.000000 3.078792 
1 1 1   31    6   14 o   9.8490   2.6799   12.900   6.3988   0.0000   0.0000   12.900   6.3988  ?   ?    9.8490   2.6799 0.000000 2.679907 
1 1 1   31    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    6   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7    0 f   5.3526   2.5989   5.1000   3.8470   5.1000   3.8470   5.1000   3.8470   5.3526   2.5989   5.3526   2.5989 0.000000 0.000000 
1 1 1   31    7    1 o   43.391   2.7302  236.397   27.831  282.900   39.467  190.400   39.252   46.451   3.6269   36.997   4.5917 9.454151 5.851307 
1 1 1   31    7    2 o   20.316   1.8718   50.498   8.8788   51.300   12.574   49.700   12.539   20.104   2.7184   19.762   2.7625 0.3424168 3.875707 
1 1 1   31    7    3 o  ?   ?   -3.7457   0.6825  -4.0000   0.7610  -2.7000   1.5433  ?   ?    2.0574   1.0003 0.000000 1.000343 
1 1 1   31    7    4 o   6.6070   1.8900   5.4384   3.0974   4.7000   4.2210   6.3000   4.5593   6.4711   2.2527   7.2196   2.3405 -0.7484407 3.248505 
1 1 1   31    7    5 o   41.380   2.8011  216.148   27.210  203.800   38.635  228.300   38.327   38.531   4.3208   41.212   3.9883 -2.681175 5.880120 
1 1 1   31    7    6 o   20.320   2.7450   52.600   12.834   0.0000   0.0000   52.600   12.834  ?   ?    20.320   2.7450 0.000000 2.744961 
1 1 1   31    7    7 o   26.084   3.0593   87.800   18.485   0.0000   0.0000   87.800   18.485  ?   ?    26.084   3.0593 0.000000 3.059345 
1 1 1   31    7    8 o   18.606   2.7051   44.300   11.537   0.0000   0.0000   44.300   11.537  ?   ?    18.606   2.7051 0.000000 2.705102 
1 1 1   31    7    9 o   19.019   2.6807   46.300   11.705   0.0000   0.0000   46.300   11.705  ?   ?    19.019   2.6807 0.000000 2.680679 
1 1 1   31    7   10 o   10.962   2.6234   15.700   6.7003   0.0000   0.0000   15.700   6.7003  ?   ?    10.962   2.6234 0.000000 2.623412 
1 1 1   31    7   11 o   17.271   2.7112   38.600   10.693   0.0000   0.0000   38.600   10.693  ?   ?    17.271   2.7112 0.000000 2.711161 
1 1 1   31    7   12 o   3.0811   1.4443  -2.6000   2.6469   0.0000   0.0000  -2.6000   2.6469  ?   ?    3.0811   1.4443 0.000000 1.444304 
1 1 1   31    7   13 o   28.868   3.3925  112.800   22.685   0.0000   0.0000  112.800   22.685  ?   ?    28.868   3.3925 0.000000 3.392480 
1 1 1   31    7   14 o   9.5191   2.5434   12.000   5.8258   0.0000   0.0000   12.000   5.8258  ?   ?    9.5191   2.5434 0.000000 2.543358 
1 1 1   31    7   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    7   25 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8    0 o   52.013   4.9040  358.000   59.002  358.000   59.002  358.000   59.002   52.013   4.9040   52.013   4.9040 0.000000 0.000000 
1 1 1   31    8    1 o   5.8246   1.8378   4.0785   2.8257   6.8000   3.7725   0.6000   4.2649   7.3567   2.0793   5.0250   2.1142 2.331712 2.965354 
1 1 1   31    8    2 o   8.3877   1.8887   8.8711   3.6508   9.9000   5.1119   7.8000   5.2157   8.8029   2.3953   7.9348   2.4960 0.8681512 3.459416 
1 1 1   31    8    3 o   13.233   1.8339   21.619   5.5766   26.600   7.7598   16.300   8.0195   14.524   2.3423   11.145   2.9867 3.378746 3.795563 
1 1 1   31    8    4 o   33.359   2.4549  138.674   19.202  128.600   27.470  148.300   26.852   30.993   3.8353   33.696   3.4221 -2.703501 5.140116 
1 1 1   31    8    5 o   8.5603   2.1102   9.3245   4.2383   1.8000   6.4636   15.000   5.6135   6.3348   2.6292   10.851   2.2640 -4.516445 3.469644 
1 1 1   31    8    6 o   5.5714   2.0239   3.2000   3.4409   0.0000   0.0000   3.2000   3.4409  ?   ?    5.5714   2.0239 0.000000 2.023897 
1 1 1   31    8    7 o   29.299   3.2568  112.100   22.152   0.0000   0.0000  112.100   22.152  ?   ?    29.299   3.2568 0.000000 3.256844 
1 1 1   31    8    8 o   6.3438   2.2278   4.5000   4.1324   0.0000   0.0000   4.5000   4.1324  ?   ?    6.3438   2.2278 0.000000 2.227793 
1 1 1   31    8    9 o   20.599   2.7767   54.600   13.162   0.0000   0.0000   54.600   13.162  ?   ?    20.599   2.7767 0.000000 2.776723 
1 1 1   31    8   10 o   7.5135   2.2963   7.1000   4.4507   0.0000   0.0000   7.1000   4.4507  ?   ?    7.5135   2.2963 0.000000 2.296307 
1 1 1   31    8   11 o   10.633   2.5410   14.800   6.2930   0.0000   0.0000   14.800   6.2930  ?   ?    10.633   2.5410 0.000000 2.541035 
1 1 1   31    8   12 f   22.345   2.8839   65.400   14.861   0.0000   0.0000   65.400   14.861  ?   ?    22.345   2.8839 0.000000 2.883878 
1 1 1   31    8   13 o   18.521   2.8128   45.200   11.915   0.0000   0.0000   45.200   11.915  ?   ?    18.521   2.8128 0.000000 2.812814 
1 1 1   31    8   14 o   28.078   3.4008  108.500   22.088   0.0000   0.0000  108.500   22.088  ?   ?    28.078   3.4008 0.000000 3.400767 
1 1 1   31    8   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    8   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9    0 o   7.2928   2.9809   9.0000   5.0556   9.0000   5.0556   9.0000   5.0556   7.2928   2.9809   7.2928   2.9809 0.000000 0.000000 
1 1 1   31    9    1 o   11.372   1.7378   15.989   4.5188   12.200   6.3816   19.800   6.3995   9.7136   2.6900   12.517   2.2477 -2.803314 3.505527 
1 1 1   31    9    2 o   35.049   2.3905  152.711   19.667  119.600   27.755  186.100   27.871   29.638   4.0735   38.044   3.1302 -8.406336 5.137321 
1 1 1   31    9    3 o   21.090   1.8759   54.501   9.2449   39.700   13.031   69.500   13.118   17.313   3.3080   23.583   2.3885 -6.269876 4.080212 
1 1 1   31    9    4 o   26.484   2.1560   86.702   13.366   79.500   19.110   93.600   18.702   24.579   3.3822   26.990   2.9843 -2.410967 4.510590 
1 1 1   31    9    5 o   11.515   1.7733   16.439   4.6672   15.800   6.5431   17.100   6.6593   11.045   2.5590   11.509   2.5201 -0.4647760 3.591553 
1 1 1   31    9    6 o   6.1751   2.0991   4.4000   3.6580   0.0000   0.0000   4.4000   3.6580  ?   ?    6.1751   2.0991 0.000000 2.099136 
1 1 1   31    9    7 o   14.831   2.6093   28.300   8.8045   0.0000   0.0000   28.300   8.8045  ?   ?    14.831   2.6093 0.000000 2.609310 
1 1 1   31    9    8 o   8.2493   2.3727   8.7000   4.8696   0.0000   0.0000   8.7000   4.8696  ?   ?    8.2493   2.3727 0.000000 2.372729 
1 1 1   31    9    9 o   26.072   3.0801   88.900   18.596   0.0000   0.0000   88.900   18.596  ?   ?    26.072   3.0801 0.000000 3.080069 
1 1 1   31    9   10 o   21.507   2.8700   60.200   14.212   0.0000   0.0000   60.200   14.212  ?   ?    21.507   2.8700 0.000000 2.869988 
1 1 1   31    9   11 o   16.636   2.8321   36.400   10.727   0.0000   0.0000   36.400   10.727  ?   ?    16.636   2.8321 0.000000 2.832134 
1 1 1   31    9   12 o   13.701   2.7601   24.900   8.6210   0.0000   0.0000   24.900   8.6210  ?   ?    13.701   2.7601 0.000000 2.760139 
1 1 1   31    9   13 o   27.868   3.3721  106.300   21.739   0.0000   0.0000  106.300   21.739  ?   ?    27.868   3.3721 0.000000 3.372077 
1 1 1   31    9   14 o   6.7330   2.3355   5.4000   4.5349   0.0000   0.0000   5.4000   4.5349  ?   ?    6.7330   2.3355 0.000000 2.335492 
1 1 1   31    9   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31    9   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10    0 o   14.090   3.0387   27.200   8.8704   27.200   8.8704   27.200   8.8704   14.090   3.0387   14.090   3.0387 0.000000 0.000000 
1 1 1   31   10    1 o   12.127   1.8049   18.219   5.0110   24.600   7.0228   11.600   7.1521   13.989   2.1985   9.4960   2.9124 4.493304 3.648999 
1 1 1   31   10    2 o   13.232   1.6986   21.523   5.1845   17.400   7.1480   26.100   7.5311   11.565   2.6713   14.379   2.2953 -2.813847 3.521937 
1 1 1   31   10    3 o   12.196   1.7795   18.409   4.9741   15.500   6.9862   21.400   7.0837   10.893   2.7233   12.948   2.4053 -2.055614 3.633463 
1 1 1   31   10    4 o   21.438   1.9210   56.509   9.6217   58.200   13.571   54.800   13.643   21.327   2.7596   20.617   2.8811 0.7101326 3.989499 
1 1 1   31   10    5 o   3.2770   1.4736  -1.1000   2.3861   0.0000   0.0000  -1.1000   2.3861  ?   ?    3.2770   1.4736 0.000000 1.473589 
1 1 1   31   10    6 o   15.406   2.6586   30.600   9.3223   0.0000   0.0000   30.600   9.3223  ?   ?    15.406   2.6586 0.000000 2.658550 
1 1 1   31   10    7 o   25.902   3.0766   87.500   18.450   0.0000   0.0000   87.500   18.450  ?   ?    25.902   3.0766 0.000000 3.076590 
1 1 1   31   10    8 o   13.775   2.5984   24.600   8.1422   0.0000   0.0000   24.600   8.1422  ?   ?    13.775   2.5984 0.000000 2.598427 
1 1 1   31   10    9 o   10.428   2.4931   14.200   6.0560   0.0000   0.0000   14.200   6.0560  ?   ?    10.428   2.4931 0.000000 2.493082 
1 1 1   31   10   10 o   5.1880   2.0240   2.2000   3.5807   0.0000   0.0000   2.2000   3.5807  ?   ?    5.1880   2.0240 0.000000 2.023950 
1 1 1   31   10   11 o   9.3945   2.4812   11.600   5.5861   0.0000   0.0000   11.600   5.5861  ?   ?    9.3945   2.4812 0.000000 2.481217 
1 1 1   31   10   12 o   2.5635   1.2348  -3.3000   2.2161   0.0000   0.0000  -3.3000   2.2161  ?   ?    2.5635   1.2348 0.000000 1.234754 
1 1 1   31   10   13 o   15.978   2.8339   34.200   10.301   0.0000   0.0000   34.200   10.301  ?   ?    15.978   2.8339 0.000000 2.833926 
1 1 1   31   10   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   10   24 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11    0 o   1.5701   1.0782  -0.9000   1.2949  -0.9000   1.2949  -0.9000   1.2949   1.5701   1.0782   1.5701   1.0782 0.000000 0.000000 
1 1 1   31   11    1 o   28.282   2.1085   98.843   13.981   92.300   19.687  105.500   19.857   26.578   3.2013   28.607   2.9834 -2.029594 4.375986 
1 1 1   31   11    2 o   3.2058   1.3765  -0.0899   1.8719  -1.2000   2.6025   1.1000   2.6944   3.4190   1.5381   4.2999   1.7303 -0.8809404 2.315048 
1 1 1   31   11    3 o   27.267   2.1090   91.974   13.474  101.000   19.136   83.100   18.975   28.004   2.9376   25.132   3.2752 2.872498 4.399621 
1 1 1   31   11    4 o   24.175   2.0148   72.142   11.397   73.100   16.187   71.200   16.049   23.769   2.9472   23.443   2.9655 0.3265934 4.180890 
1 1 1   31   11    5 o   22.964   2.8981   68.200   15.365   0.0000   0.0000   68.200   15.365  ?   ?    22.964   2.8981 0.000000 2.898107 
1 1 1   31   11    6 o   28.759   3.2539  109.100   21.709   0.0000   0.0000  109.100   21.709  ?   ?    28.759   3.2539 0.000000 3.253939 
1 1 1   31   11    7 o   6.2108   2.1546   4.4000   3.8595   0.0000   0.0000   4.4000   3.8595  ?   ?    6.2108   2.1546 0.000000 2.154571 
1 1 1   31   11    8 o   25.912   3.0545   88.200   18.331   0.0000   0.0000   88.200   18.331  ?   ?    25.912   3.0545 0.000000 3.054540 
1 1 1   31   11    9 o   24.276   3.0163   77.700   16.918   0.0000   0.0000   77.700   16.918  ?   ?    24.276   3.0163 0.000000 3.016335 
1 1 1   31   11   10 o   17.952   2.7006   42.100   11.094   0.0000   0.0000   42.100   11.094  ?   ?    17.952   2.7006 0.000000 2.700602 
1 1 1   31   11   11 o   22.215   2.8879   65.300   14.791   0.0000   0.0000   65.300   14.791  ?   ?    22.215   2.8879 0.000000 2.887928 
1 1 1   31   11   12 o   12.963   2.7159   22.500   8.0473   0.0000   0.0000   22.500   8.0473  ?   ?    12.963   2.7159 0.000000 2.715943 
1 1 1   31   11   13 f   10.194   2.6470   14.000   6.4281   0.0000   0.0000   14.000   6.4281  ?   ?    10.194   2.6470 0.000000 2.646987 
1 1 1   31   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   11   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12    0 o   28.338   3.1848  102.800   20.620  102.800   20.620  102.800   20.620   28.338   3.1848   28.338   3.1848 0.000000 0.000000 
1 1 1   31   12    1 o  ?   ?   -3.9407   0.6821 -10.2000   1.6770  -2.7000   0.7466  ?   ?    1.1082   0.5617 0.000000 0.5617113 
1 1 1   31   12    2 o   33.411   2.4169  140.070   18.939  132.700   26.914  147.300   26.657   31.312   3.7123   33.294   3.4402 -1.982250 5.061218 
1 1 1   31   12    3 o   20.992   1.8693   54.246   9.1689   59.700   13.032   48.900   12.902   21.632   2.6035   19.378   2.9096 2.254789 3.904368 
1 1 1   31   12    4 o   32.560   3.5370  142.300   26.757   0.0000   0.0000  142.300   26.757  ?   ?    32.560   3.5370 0.000000 3.537039 
1 1 1   31   12    5 o   22.443   2.9247   65.600   15.131   0.0000   0.0000   65.600   15.131  ?   ?    22.443   2.9247 0.000000 2.924701 
1 1 1   31   12    6 o   9.4576   2.5615   11.700   5.8619   0.0000   0.0000   11.700   5.8619  ?   ?    9.4576   2.5615 0.000000 2.561530 
1 1 1   31   12    7 o   33.482   3.6521  153.400   28.406   0.0000   0.0000  153.400   28.406  ?   ?    33.482   3.6521 0.000000 3.652128 
1 1 1   31   12    8 f   16.278   2.6810   34.600   9.9463   0.0000   0.0000   34.600   9.9463  ?   ?    16.278   2.6810 0.000000 2.681045 
1 1 1   31   12    9 o   10.492   2.5981   14.600   6.4032   0.0000   0.0000   14.600   6.4032  ?   ?    10.492   2.5981 0.000000 2.598119 
1 1 1   31   12   10 o   15.738   2.6618   32.600   9.5392   0.0000   0.0000   32.600   9.5392  ?   ?    15.738   2.6618 0.000000 2.661759 
1 1 1   31   12   11 o   11.350   2.6046   17.200   6.8326   0.0000   0.0000   17.200   6.8326  ?   ?    11.350   2.6046 0.000000 2.604611 
1 1 1   31   12   12 o   17.466   2.7828   40.700   11.092   0.0000   0.0000   40.700   11.092  ?   ?    17.466   2.7828 0.000000 2.782806 
1 1 1   31   12   13 o   9.6761   2.6572   12.700   6.2570   0.0000   0.0000   12.700   6.2570  ?   ?    9.6761   2.6572 0.000000 2.657213 
1 1 1   31   12   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   12   23 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13    0 o   17.225   2.9453   39.300   10.928   39.300   10.928   39.300   10.928   17.225   2.9453   17.225   2.9453 0.000000 0.000000 
1 1 1   31   13    1 o   11.621   1.8218   16.858   4.8350   13.800   7.0321   19.600   6.6587   10.213   2.8220   12.344   2.3706 -2.130388 3.685583 
1 1 1   31   13    2 o   14.402   1.7993   25.688   5.9857   33.000   8.8807   19.600   8.1029   16.080   2.4134   12.141   2.8714 3.938678 3.750904 
1 1 1   31   13    3 o   18.272   1.8408   41.237   7.8345   44.700   11.101   37.800   11.059   18.650   2.5905   16.980   2.8597 1.670231 3.858606 
1 1 1   31   13    4 o   19.045   2.7421   47.100   11.976   0.0000   0.0000   47.100   11.976  ?   ?    19.045   2.7421 0.000000 2.742099 
1 1 1   31   13    5 o   34.933   3.7679  168.500   30.589   0.0000   0.0000  168.500   30.589  ?   ?    34.933   3.7679 0.000000 3.767946 
1 1 1   31   13    6 o   13.485   2.6618   23.900   8.1750   0.0000   0.0000   23.900   8.1750  ?   ?    13.485   2.6618 0.000000 2.661821 
1 1 1   31   13    7 o   13.014   2.6235   22.300   7.7840   0.0000   0.0000   22.300   7.7840  ?   ?    13.014   2.6235 0.000000 2.623522 
1 1 1   31   13    8 o   26.311   3.1334   92.800   19.084   0.0000   0.0000   92.800   19.084  ?   ?    26.311   3.1334 0.000000 3.133380 
1 1 1   31   13    9 o   4.2675   1.8113   0.3000   3.1750   0.0000   0.0000   0.3000   3.1750  ?   ?    4.2675   1.8113 0.000000 1.811327 
1 1 1   31   13   10 o   9.4970   2.5095   12.000   5.7124   0.0000   0.0000   12.000   5.7124  ?   ?    9.4970   2.5095 0.000000 2.509491 
1 1 1   31   13   11 f   19.832   2.9210   52.900   13.269   0.0000   0.0000   52.900   13.269  ?   ?    19.832   2.9210 0.000000 2.920982 
1 1 1   31   13   12 o   6.6291   2.3378   5.2000   4.5542   0.0000   0.0000   5.2000   4.5542  ?   ?    6.6291   2.3378 0.000000 2.337786 
1 1 1   31   13   13 o   11.672   2.7546   18.700   7.4699   0.0000   0.0000   18.700   7.4699  ?   ?    11.672   2.7546 0.000000 2.754570 
1 1 1   31   13   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   13   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14    0 o   16.612   2.8901   36.700   10.309   36.700   10.309   36.700   10.309   16.612   2.8901   16.612   2.8901 0.000000 0.000000 
1 1 1   31   14    1 o   11.693   1.7858   17.077   4.7745   28.200   6.9619   7.2000   6.5602   14.989   2.0183   7.8418   2.8015 7.146963 3.452780 
1 1 1   31   14    2 o   7.9659   1.8705   8.0925   3.4585   9.0000   5.2568   7.4000   4.5923   8.3450   2.4835   7.6301   2.3326 0.7148333 3.407206 
1 1 1   31   14    3 o   21.120   1.8341   55.131   9.0565   65.300   13.092   45.800   12.541   22.588   2.4962   18.594   2.9552 3.994122 3.868351 
1 1 1   31   14    4 o   24.979   3.0388   82.700   17.555   0.0000   0.0000   82.700   17.555  ?   ?    24.979   3.0388 0.000000 3.038756 
1 1 1   31   14    5 o   35.534   3.9019  178.300   32.201   0.0000   0.0000  178.300   32.201  ?   ?    35.534   3.9019 0.000000 3.901889 
1 1 1   31   14    6 o   14.005   2.5585   25.700   8.1492   0.0000   0.0000   25.700   8.1492  ?   ?    14.005   2.5585 0.000000 2.558497 
1 1 1   31   14    7 o   36.384   4.0190  190.900   33.952   0.0000   0.0000  190.900   33.952  ?   ?    36.384   4.0190 0.000000 4.018951 
1 1 1   31   14    8 o   16.085   2.7181   34.300   9.9561   0.0000   0.0000   34.300   9.9561  ?   ?    16.085   2.7181 0.000000 2.718052 
1 1 1   31   14    9 o   16.198   2.6584   34.700   9.8150   0.0000   0.0000   34.700   9.8150  ?   ?    16.198   2.6584 0.000000 2.658398 
1 1 1   31   14   10 o   22.816   3.0022   70.500   15.782   0.0000   0.0000   70.500   15.782  ?   ?    22.816   3.0022 0.000000 3.002223 
1 1 1   31   14   11 o   22.606   3.1053   70.300   16.138   0.0000   0.0000   70.300   16.138  ?   ?    22.606   3.1053 0.000000 3.105271 
1 1 1   31   14   12 o   18.754   2.8859   47.900   12.371   0.0000   0.0000   47.900   12.371  ?   ?    18.754   2.8859 0.000000 2.885903 
1 1 1   31   14   13 o  ?   ?   -7.4000   0.9907   0.0000   0.0000  -7.4000   0.9907  ?   ?   ?   ?  0.000000      ? 
1 1 1   31   14   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   14   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15    0 o   27.015   3.2116   95.000   19.724   95.000   19.724   95.000   19.724   27.015   3.2116   27.015   3.2116 0.000000 0.000000 
1 1 1   31   15    1 o   2.1376   1.0348  -2.6068   1.6053   1.4000   2.3019  -6.4000   2.2397   4.1809   1.6251   2.0931   1.0496 2.087796 1.934547 
1 1 1   31   15    2 o   36.790   2.6544  174.927   22.905  164.500   32.595  185.100   32.194   33.623   4.1968   36.249   3.8186 -2.626022 5.674029 
1 1 1   31   15    3 o   15.599   2.6141   31.900   9.2884   0.0000   0.0000   31.900   9.2884  ?   ?    15.599   2.6141 0.000000 2.614094 
1 1 1   31   15    4 o   24.229   3.0104   78.400   16.853   0.0000   0.0000   78.400   16.853  ?   ?    24.229   3.0104 0.000000 3.010432 
1 1 1   31   15    5 o   32.440   3.6371  147.400   27.381   0.0000   0.0000  147.400   27.381  ?   ?    32.440   3.6371 0.000000 3.637053 
1 1 1   31   15    6 o   21.913   2.8845   63.900   14.563   0.0000   0.0000   63.900   14.563  ?   ?    21.913   2.8845 0.000000 2.884504 
1 1 1   31   15    7 o   10.389   2.5384   14.400   6.1740   0.0000   0.0000   14.400   6.1740  ?   ?    10.389   2.5384 0.000000 2.538367 
1 1 1   31   15    8 o   37.666   4.2986  214.100   37.549   0.0000   0.0000  214.100   37.549  ?   ?    37.666   4.2986 0.000000 4.298603 
1 1 1   31   15    9 o   5.5626   2.0069   3.4000   3.3751   0.0000   0.0000   3.4000   3.3751  ?   ?    5.5626   2.0069 0.000000 2.006940 
1 1 1   31   15   10 o   17.449   2.9046   41.500   11.547   0.0000   0.0000   41.500   11.547  ?   ?    17.449   2.9046 0.000000 2.904568 
1 1 1   31   15   11 o   17.458   2.8713   41.600   11.425   0.0000   0.0000   41.600   11.425  ?   ?    17.458   2.8713 0.000000 2.871260 
1 1 1   31   15   12 o   7.7097   2.4626   7.8000   5.0615   0.0000   0.0000   7.8000   5.0615  ?   ?    7.7097   2.4626 0.000000 2.462595 
1 1 1   31   15   13 o   25.096   3.2516   89.100   18.816   0.0000   0.0000   89.100   18.816  ?   ?    25.096   3.2516 0.000000 3.251619 
1 1 1   31   15   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   15   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16    0 o   7.4165   3.2309   9.8000   5.8707   9.8000   5.8707   9.8000   5.8707   7.4165   3.2309   7.4165   3.2309 0.000000 0.000000 
1 1 1   31   16    1 o   19.176   1.9087   45.967   8.5280   56.300   12.511   37.000   11.655   20.770   2.6085   16.457   3.1132 4.312672 4.061560 
1 1 1   31   16    2 o   34.164   3.8471  166.800   30.495   0.0000   0.0000  166.800   30.495  ?   ?    34.164   3.8471 0.000000 3.847057 
1 1 1   31   16    3 o   11.444   3.1370   18.200   8.7298   0.0000   0.0000   18.200   8.7298  ?   ?    11.444   3.1370 0.000000 3.136956 
1 1 1   31   16    4 o   30.305   3.4736  127.700   24.408   0.0000   0.0000  127.700   24.408  ?   ?    30.305   3.4736 0.000000 3.473576 
1 1 1   31   16    5 o   7.8889   2.3961   8.1000   4.8568   0.0000   0.0000   8.1000   4.8568  ?   ?    7.8889   2.3961 0.000000 2.396123 
1 1 1   31   16    6 o   6.5730   2.1969   5.3000   4.0062   0.0000   0.0000   5.3000   4.0062  ?   ?    6.5730   2.1969 0.000000 2.196950 
1 1 1   31   16    7 o   11.897   2.5747   19.000   7.0230   0.0000   0.0000   19.000   7.0230  ?   ?    11.897   2.5747 0.000000 2.574707 
1 1 1   31   16    8 o   13.017   2.5740   22.700   7.6318   0.0000   0.0000   22.700   7.6318  ?   ?    13.017   2.5740 0.000000 2.573974 
1 1 1   31   16    9 o   13.045   2.5949   22.900   7.7122   0.0000   0.0000   22.900   7.7122  ?   ?    13.045   2.5949 0.000000 2.594908 
1 1 1   31   16   10 o   18.812   2.8247   48.100   12.160   0.0000   0.0000   48.100   12.160  ?   ?    18.812   2.8247 0.000000 2.824713 
1 1 1   31   16   11 f   3.1872   1.5067  -3.2000   2.9897   0.0000   0.0000  -3.2000   2.9897  ?   ?    3.1872   1.5067 0.000000 1.506669 
1 1 1   31   16   12 o   7.4555   2.4661   7.2000   5.0517   0.0000   0.0000   7.2000   5.0517  ?   ?    7.4555   2.4661 0.000000 2.466053 
1 1 1   31   16   13 o   6.7598   2.3777   5.6000   4.7079   0.0000   0.0000   5.6000   4.7079  ?   ?    6.7598   2.3777 0.000000 2.377651 
1 1 1   31   16   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   16   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   17    0 o   56.033   5.9855  478.100   76.919  478.100   76.919  478.100   76.919   56.033   5.9855   56.033   5.9855 0.000000 0.000000 
1 1 1   31   17    1 o   29.829   2.3075  114.048   16.127  121.100   23.242  107.500   22.396   29.444   3.4057   27.595   3.5169 1.848228 4.895692 
1 1 1   31   17    2 o   38.574   4.4820  230.100   40.064   0.0000   0.0000  230.100   40.064  ?   ?    38.574   4.4820 0.000000 4.481999 
1 1 1   31   17    3 o   18.647   2.8882   47.000   12.306   0.0000   0.0000   47.000   12.306  ?   ?    18.647   2.8882 0.000000 2.888232 
1 1 1   31   17    4 o   27.958   3.4074  109.800   22.030   0.0000   0.0000  109.800   22.030  ?   ?    27.958   3.4074 0.000000 3.407363 
1 1 1   31   17    5 o   13.186   2.7414   23.600   8.2574   0.0000   0.0000   23.600   8.2574  ?   ?    13.186   2.7414 0.000000 2.741399 
1 1 1   31   17    6 f   9.6150   2.4417   12.400   5.5542   0.0000   0.0000   12.400   5.5542  ?   ?    9.6150   2.4417 0.000000 2.441727 
1 1 1   31   17    7 o   14.633   2.6453   28.800   8.8041   0.0000   0.0000   28.800   8.8041  ?   ?    14.633   2.6453 0.000000 2.645338 
1 1 1   31   17    8 o   17.770   2.8075   42.900   11.389   0.0000   0.0000   42.900   11.389  ?   ?    17.770   2.8075 0.000000 2.807526 
1 1 1   31   17    9 o   8.5404   2.4451   9.8000   5.1821   0.0000   0.0000   9.8000   5.1821  ?   ?    8.5404   2.4451 0.000000 2.445122 
1 1 1   31   17   10 o   10.364   2.8314   15.000   7.1257   0.0000   0.0000   15.000   7.1257  ?   ?    10.364   2.8314 0.000000 2.831404 
1 1 1   31   17   11 o   4.1137   1.8633  -1.7000   3.8963   0.0000   0.0000  -1.7000   3.8963  ?   ?    4.1137   1.8633 0.000000 1.863308 
1 1 1   31   17   12 o   11.011   2.7836   17.000   7.2415   0.0000   0.0000   17.000   7.2415  ?   ?    11.011   2.7836 0.000000 2.783550 
1 1 1   31   17   13 o   7.7901   2.4770   8.1000   5.1253   0.0000   0.0000   8.1000   5.1253  ?   ?    7.7901   2.4770 0.000000 2.476969 
1 1 1   31   17   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   17   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   17   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   17   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   17   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   18    0 o   12.096   3.6795   22.900   9.1762   22.900   9.1762   22.900   9.1762   12.096   3.6795   12.096   3.6795 0.000000 0.000000 
1 1 1   31   18    1 o   7.6321   2.3547   7.6000   4.6674   0.0000   0.0000   7.6000   4.6674  ?   ?    7.6321   2.3547 0.000000 2.354728 
1 1 1   31   18    2 o   11.658   2.7373   18.600   7.4068   0.0000   0.0000   18.600   7.4068  ?   ?    11.658   2.7373 0.000000 2.737317 
1 1 1   31   18    3 o   5.5866   2.1780   2.8000   4.1444   0.0000   0.0000   2.8000   4.1444  ?   ?    5.5866   2.1780 0.000000 2.178007 
1 1 1   31   18    4 o   14.065   2.7428   26.900   8.7827   0.0000   0.0000   26.900   8.7827  ?   ?    14.065   2.7428 0.000000 2.742841 
1 1 1   31   18    5 o   9.8173   2.6694   13.200   6.3514   0.0000   0.0000   13.200   6.3514  ?   ?    9.8173   2.6694 0.000000 2.669417 
1 1 1   31   18    6 o   2.9325   1.3320  -1.1000   2.0085   0.0000   0.0000  -1.1000   2.0085  ?   ?    2.9325   1.3320 0.000000 1.332019 
1 1 1   31   18    7 o   14.894   2.6683   30.000   9.0395   0.0000   0.0000   30.000   9.0395  ?   ?    14.894   2.6683 0.000000 2.668297 
1 1 1   31   18    8 f   11.353   2.5503   17.500   6.6698   0.0000   0.0000   17.500   6.6698  ?   ?    11.353   2.5503 0.000000 2.550254 
1 1 1   31   18    9 o   10.620   2.6207   15.500   6.5318   0.0000   0.0000   15.500   6.5318  ?   ?    10.620   2.6207 0.000000 2.620700 
1 1 1   31   18   10 o   4.3403   1.8899  -0.2000   3.6280   0.0000   0.0000  -0.2000   3.6280  ?   ?    4.3403   1.8899 0.000000 1.889883 
1 1 1   31   18   11 o   11.002   2.7367   16.900   7.0803   0.0000   0.0000   16.900   7.0803  ?   ?    11.002   2.7367 0.000000 2.736706 
1 1 1   31   18   12 o  ?   ?   -6.3000   1.1352   0.0000   0.0000  -6.3000   1.1352  ?   ?   ?   ?  0.000000      ? 
1 1 1   31   18   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   18   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   18   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   18   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   18   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   19    1 o   12.292   2.8271   20.900   8.0345   0.0000   0.0000   20.900   8.0345  ?   ?    12.292   2.8271 0.000000 2.827106 
1 1 1   31   19    2 o   5.8332   2.2228   3.4000   4.2471   0.0000   0.0000   3.4000   4.2471  ?   ?    5.8332   2.2228 0.000000 2.222815 
1 1 1   31   19    3 o   8.7657   2.5900   10.400   5.7332   0.0000   0.0000   10.400   5.7332  ?   ?    8.7657   2.5900 0.000000 2.590019 
1 1 1   31   19    4 o   12.535   2.6519   21.400   7.6046   0.0000   0.0000   21.400   7.6046  ?   ?    12.535   2.6519 0.000000 2.651909 
1 1 1   31   19    5 o   6.4712   2.3239   4.9000   4.5197   0.0000   0.0000   4.9000   4.5197  ?   ?    6.4712   2.3239 0.000000 2.323884 
1 1 1   31   19    6 o   18.350   2.8127   46.000   11.799   0.0000   0.0000   46.000   11.799  ?   ?    18.350   2.8127 0.000000 2.812653 
1 1 1   31   19    7 o   18.557   2.9501   47.800   12.495   0.0000   0.0000   47.800   12.495  ?   ?    18.557   2.9501 0.000000 2.950087 
1 1 1   31   19    8 o   5.0398   2.0615   1.6000   3.8977   0.0000   0.0000   1.6000   3.8977  ?   ?    5.0398   2.0615 0.000000 2.061463 
1 1 1   31   19    9 o   8.5176   2.6557   9.9000   5.9193   0.0000   0.0000   9.9000   5.9193  ?   ?    8.5176   2.6557 0.000000 2.655724 
1 1 1   31   19   10 o   11.191   2.8386   17.700   7.5127   0.0000   0.0000   17.700   7.5127  ?   ?    11.191   2.8386 0.000000 2.838620 
1 1 1   31   19   11 o   26.342   3.4439  101.900   20.909   0.0000   0.0000  101.900   20.909  ?   ?    26.342   3.4439 0.000000 3.443950 
1 1 1   31   19   12 o   10.812   2.7775   16.500   7.1285   0.0000   0.0000   16.500   7.1285  ?   ?    10.812   2.7775 0.000000 2.777453 
1 1 1   31   19   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   19   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   19   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   19   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20    2 o   7.3122   2.4208   6.9000   4.8677   0.0000   0.0000   6.9000   4.8677  ?   ?    7.3122   2.4208 0.000000 2.420829 
1 1 1   31   20    3 o   7.6434   2.4361   7.7000   4.9554   0.0000   0.0000   7.7000   4.9554  ?   ?    7.6434   2.4361 0.000000 2.436142 
1 1 1   31   20    4 o   3.6417   1.5888  -0.3000   2.5752   0.0000   0.0000  -0.3000   2.5752  ?   ?    3.6417   1.5888 0.000000 1.588793 
1 1 1   31   20    5 o   10.612   3.0811   16.200   8.1768   0.0000   0.0000   16.200   8.1768  ?   ?    10.612   3.0811 0.000000 3.081138 
1 1 1   31   20    6 o   9.8556   2.6105   13.400   6.1718   0.0000   0.0000   13.400   6.1718  ?   ?    9.8556   2.6105 0.000000 2.610482 
1 1 1   31   20    7 o   3.0305   1.4119  -2.1000   2.4668   0.0000   0.0000  -2.1000   2.4668  ?   ?    3.0305   1.4119 0.000000 1.411915 
1 1 1   31   20    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20   11 o   16.796   2.9869   39.800   11.412   0.0000   0.0000   39.800   11.412  ?   ?    16.796   2.9869 0.000000 2.986871 
1 1 1   31   20   12 o   2.8228   1.3538  -3.5000   2.5991   0.0000   0.0000  -3.5000   2.5991  ?   ?    2.8228   1.3538 0.000000 1.353844 
1 1 1   31   20   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   20   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21    3 o  ?   ?   -7.7000   1.1343   0.0000   0.0000  -7.7000   1.1343  ?   ?   ?   ?  0.000000      ? 
1 1 1   31   21    4 o   8.1219   2.4629   8.9000   5.1343   0.0000   0.0000   8.9000   5.1343  ?   ?    8.1219   2.4629 0.000000 2.462901 
1 1 1   31   21    5 o   10.027   2.7475   14.100   6.6978   0.0000   0.0000   14.100   6.6978  ?   ?    10.027   2.7475 0.000000 2.747464 
1 1 1   31   21    6 o   8.9880   2.5298   11.100   5.5961   0.0000   0.0000   11.100   5.5961  ?   ?    8.9880   2.5298 0.000000 2.529773 
1 1 1   31   21    7 o   12.864   2.7361   23.000   8.0555   0.0000   0.0000   23.000   8.0555  ?   ?    12.864   2.7361 0.000000 2.736096 
1 1 1   31   21    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   21   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    4 o   5.0268   1.9683   2.2000   3.3960   0.0000   0.0000   2.2000   3.3960  ?   ?    5.0268   1.9683 0.000000 1.968280 
1 1 1   31   22    5 o   11.809   2.6192   19.200   7.1125   0.0000   0.0000   19.200   7.1125  ?   ?    11.809   2.6192 0.000000 2.619179 
1 1 1   31   22    6 o   16.019   2.8028   35.500   10.216   0.0000   0.0000   35.500   10.216  ?   ?    16.019   2.8028 0.000000 2.802793 
1 1 1   31   22    7 o   9.6017   2.9514   13.100   7.3405   0.0000   0.0000   13.100   7.3405  ?   ?    9.6017   2.9514 0.000000 2.951435 
1 1 1   31   22    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   22   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    5 o   4.4093   1.9910  -1.6000   4.4089   0.0000   0.0000  -1.6000   4.4089  ?   ?    4.4093   1.9910 0.000000 1.991004 
1 1 1   31   23    6 o   2.0105   1.0168  -7.9000   2.3584   0.0000   0.0000  -7.9000   2.3584  ?   ?    2.0105   1.0168 0.000000 1.016761 
1 1 1   31   23    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   23    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   24    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   24    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   24    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   24    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   31   24    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0    0 o  ?   ?  -13.6000   1.4358 -13.6000   1.4358 -13.6000   1.4358  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   32    0    1 o   9.5331   2.2090   12.520   4.3260   12.520   4.3260   12.520   4.3260   9.5331   2.2090   9.5331   2.2090 0.000000 0.000000 
1 1 1   32    0    2 o   33.226   2.3386  136.025   18.139  136.025   18.139  136.025   18.139   33.226   2.3386   33.226   2.3386 0.000000 0.000000 
1 1 1   32    0    3 o   16.530   2.8538   36.200   10.144   36.200   10.144   36.200   10.144   16.530   2.8538   16.530   2.8538 0.000000 0.000000 
1 1 1   32    0    4 o   25.614   3.0923   84.600   17.980   84.600   17.980   84.600   17.980   25.614   3.0923   25.614   3.0923 0.000000 0.000000 
1 1 1   32    0    5 o   12.956   3.3741   24.400   8.9204   24.400   8.9204   24.400   8.9204   12.956   3.3741   12.956   3.3741 0.000000 0.000000 
1 1 1   32    0    6 o   4.0471   2.4688   1.9000   4.4573   1.9000   4.4573   1.9000   4.4573   4.0471   2.4688   4.0471   2.4688 0.000000 0.000000 
1 1 1   32    0    7 o   2.9590   1.9784  -1.2000   3.8136  -1.2000   3.8136  -1.2000   3.8136   2.9590   1.9784   2.9590   1.9784 0.000000 0.000000 
1 1 1   32    0    8 o   3.6345   2.3237   0.5000   4.4626   0.5000   4.4626   0.5000   4.4626   3.6345   2.3237   3.6345   2.3237 0.000000 0.000000 
1 1 1   32    0    9 o   22.660   3.1776   67.800   16.045   67.800   16.045   67.800   16.045   22.660   3.1776   22.660   3.1776 0.000000 0.000000 
1 1 1   32    0   10 o   6.1349   3.2247   7.0000   6.1886   7.0000   6.1886   7.0000   6.1886   6.1349   3.2247   6.1349   3.2247 0.000000 0.000000 
1 1 1   32    0   11 o   10.875   3.4677   18.600   7.8447   18.600   7.8447   18.600   7.8447   10.875   3.4677   10.875   3.4677 0.000000 0.000000 
1 1 1   32    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    0   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1    0 o   7.1253   2.8876   8.6000   4.7560   8.6000   4.7560   8.6000   4.7560   7.1253   2.8876   7.1253   2.8876 0.000000 0.000000 
1 1 1   32    1    1 o   19.193   1.8148   45.385   8.1274   41.400   11.403   49.500   11.587   17.829   2.8008   19.669   2.5550 -1.840012 3.791121 
1 1 1   32    1    2 o   6.7046   1.9166   5.6623   3.1864   11.200   4.5217   0.2000   4.4908   9.3490   2.0996   4.9987   2.1387 4.350220 2.997079 
1 1 1   32    1    3 o   19.311   1.9150   46.188   8.6173   37.600   12.288   54.500   12.088   16.709   3.2312   20.650   2.5321 -3.941338 4.105121 
1 1 1   32    1    4 o   7.6850   2.3297   7.5000   4.5944   0.0000   0.0000   7.5000   4.5944  ?   ?    7.6850   2.3297 0.000000 2.329670 
1 1 1   32    1    5 f   8.9263   2.5065   10.400   5.5003   0.0000   0.0000   10.400   5.5003  ?   ?    8.9263   2.5065 0.000000 2.506471 
1 1 1   32    1    6 o   15.284   2.6854   30.600   9.3385   0.0000   0.0000   30.600   9.3385  ?   ?    15.284   2.6854 0.000000 2.685421 
1 1 1   32    1    7 o   14.215   2.6219   26.500   8.4764   0.0000   0.0000   26.500   8.4764  ?   ?    14.215   2.6219 0.000000 2.621888 
1 1 1   32    1    8 o   24.441   3.0416   79.700   17.175   0.0000   0.0000   79.700   17.175  ?   ?    24.441   3.0416 0.000000 3.041603 
1 1 1   32    1    9 o   15.595   2.7448   32.300   9.7389   0.0000   0.0000   32.300   9.7389  ?   ?    15.595   2.7448 0.000000 2.744807 
1 1 1   32    1   10 o   20.401   2.8997   55.700   13.576   0.0000   0.0000   55.700   13.576  ?   ?    20.401   2.8997 0.000000 2.899702 
1 1 1   32    1   11 o   19.252   2.8067   49.500   12.384   0.0000   0.0000   49.500   12.384  ?   ?    19.252   2.8067 0.000000 2.806696 
1 1 1   32    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    1   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2    0 o   1.6807   1.1604  -1.2000   1.5490  -1.2000   1.5490  -1.2000   1.5490   1.6807   1.1604   1.6807   1.1604 0.000000 0.000000 
1 1 1   32    2    1 o   15.820   1.8042   30.938   6.6193   39.700   9.4222   22.400   9.3012   17.711   2.3077   12.892   3.0946 4.819084 3.860294 
1 1 1   32    2    2 o   9.3260   1.7523   10.926   3.7171   8.5000   5.0480   13.800   5.4939   8.1473   2.4358   10.331   2.3101 -2.183345 3.356973 
1 1 1   32    2    3 o   15.138   1.9224   28.549   6.7170   22.400   9.8471   33.900   9.1859   12.811   3.2500   16.259   2.4704 -3.447711 4.082323 
1 1 1   32    2    4 o   13.389   2.6016   23.400   7.9289   0.0000   0.0000   23.400   7.9289  ?   ?    13.389   2.6016 0.000000 2.601642 
1 1 1   32    2    5 f   30.642   3.4357  127.000   24.431   0.0000   0.0000  127.000   24.431  ?   ?    30.642   3.4357 0.000000 3.435650 
1 1 1   32    2    6 o   5.5906   2.1319   2.9000   3.9087   0.0000   0.0000   2.9000   3.9087  ?   ?    5.5906   2.1319 0.000000 2.131937 
1 1 1   32    2    7 o   24.971   3.0642   83.000   17.689   0.0000   0.0000   83.000   17.689  ?   ?    24.971   3.0642 0.000000 3.064153 
1 1 1   32    2    8 o   17.931   2.7629   42.400   11.323   0.0000   0.0000   42.400   11.323  ?   ?    17.931   2.7629 0.000000 2.762859 
1 1 1   32    2    9 o   6.7695   2.2625   5.6000   4.2487   0.0000   0.0000   5.6000   4.2487  ?   ?    6.7695   2.2625 0.000000 2.262480 
1 1 1   32    2   10 o   22.280   3.0243   67.000   15.500   0.0000   0.0000   67.000   15.500  ?   ?    22.280   3.0243 0.000000 3.024327 
1 1 1   32    2   11 o   6.2063   2.2092   4.4000   4.0759   0.0000   0.0000   4.4000   4.0759  ?   ?    6.2063   2.2092 0.000000 2.209165 
1 1 1   32    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    2   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3    0 o  ?   ?   -3.1000   0.7179  -3.1000   0.7179  -3.1000   0.7179  ?   ?   ?   ?  0.000000 0.000000 
1 1 1   32    3    1 o   30.481   2.2904  116.552   16.365  126.600   23.084  106.400   23.204   30.934   3.2068   27.966   3.5971 2.968079 4.818964 
1 1 1   32    3    2 o   12.719   1.7316   20.056   5.0656   24.200   7.3464   16.300   6.9941   13.745   2.3478   11.107   2.6942 2.637411 3.573635 
1 1 1   32    3    3 o   15.690   1.7549   30.403   6.3907   40.800   9.7602   22.600   8.4554   17.910   2.3657   13.052   2.8253 4.857312 3.684963 
1 1 1   32    3    4 o   2.7478   1.2608  -1.3000   1.8600   0.0000   0.0000  -1.3000   1.8600  ?   ?    2.7478   1.2608 0.000000 1.260835 
1 1 1   32    3    5 o   14.955   2.6807   29.300   9.1193   0.0000   0.0000   29.300   9.1193  ?   ?    14.955   2.6807 0.000000 2.680741 
1 1 1   32    3    6 o   23.367   3.0420   72.500   16.387   0.0000   0.0000   72.500   16.387  ?   ?    23.367   3.0420 0.000000 3.041958 
1 1 1   32    3    7 o   18.205   2.7694   43.600   11.530   0.0000   0.0000   43.600   11.530  ?   ?    18.205   2.7694 0.000000 2.769425 
1 1 1   32    3    8 o   21.779   2.8931   62.900   14.510   0.0000   0.0000   62.900   14.510  ?   ?    21.779   2.8931 0.000000 2.893058 
1 1 1   32    3    9 o   24.769   3.0912   82.800   17.687   0.0000   0.0000   82.800   17.687  ?   ?    24.769   3.0912 0.000000 3.091243 
1 1 1   32    3   10 o   28.506   3.3947  112.700   22.401   0.0000   0.0000  112.700   22.401  ?   ?    28.506   3.3947 0.000000 3.394666 
1 1 1   32    3   11 o   25.627   3.3869   91.700   19.994   0.0000   0.0000   91.700   19.994  ?   ?    25.627   3.3869 0.000000 3.386948 
1 1 1   32    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    3   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4    0 o   3.1783   1.9950   0.7000   3.1192   0.7000   3.1192   0.7000   3.1192   3.1783   1.9950   3.1783   1.9950 0.000000 0.000000 
1 1 1   32    4    1 o  ?   ?   -2.9131   0.6304  -3.1000   0.6605  -1.0000   2.1129  ?   ?    3.0735   1.3839 0.000000 1.383933 
1 1 1   32    4    2 o   4.8640   1.8013   2.3250   2.7461  -2.7000   4.9192   4.6000   3.3099   4.5435   2.0718   6.1640   1.9938 -1.620431 2.875330 
1 1 1   32    4    3 o   11.570   1.7841   16.721   4.7177   17.400   6.8237   16.100   6.5296   11.509   2.5753   11.072   2.5501 0.4367781 3.624234 
1 1 1   32    4    4 o   11.215   2.6097   16.600   6.7815   0.0000   0.0000   16.600   6.7815  ?   ?    11.215   2.6097 0.000000 2.609724 
1 1 1   32    4    5 o   12.899   2.5665   21.800   7.5422   0.0000   0.0000   21.800   7.5422  ?   ?    12.899   2.5665 0.000000 2.566497 
1 1 1   32    4    6 o   9.8491   2.5097   12.800   5.8538   0.0000   0.0000   12.800   5.8538  ?   ?    9.8491   2.5097 0.000000 2.509726 
1 1 1   32    4    7 o   8.6889   2.4373   9.9000   5.2037   0.0000   0.0000   9.9000   5.2037  ?   ?    8.6889   2.4373 0.000000 2.437310 
1 1 1   32    4    8 o   10.158   2.5129   13.700   5.9944   0.0000   0.0000   13.700   5.9944  ?   ?    10.158   2.5129 0.000000 2.512925 
1 1 1   32    4    9 o   12.027   2.5425   19.200   6.9949   0.0000   0.0000   19.200   6.9949  ?   ?    12.027   2.5425 0.000000 2.542463 
1 1 1   32    4   10 o   13.897   2.6270   25.700   8.3049   0.0000   0.0000   25.700   8.3049  ?   ?    13.897   2.6270 0.000000 2.626984 
1 1 1   32    4   11 o   14.376   3.0325   28.600   9.9704   0.0000   0.0000   28.600   9.9704  ?   ?    14.376   3.0325 0.000000 3.032505 
1 1 1   32    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    4   22 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5    0 o   3.5789   2.1126   1.8000   3.0593   1.8000   3.0593   1.8000   3.0593   3.5789   2.1126   3.5789   2.1126 0.000000 0.000000 
1 1 1   32    5    1 f   4.0220   1.5560   1.3085   2.1026  -1.6000   3.0329   4.0000   2.9175   3.6182   1.6409   5.7699   1.8724 -2.151698 2.489702 
1 1 1   32    5    2 f   13.824   2.0949   24.164   6.6241   11.500   9.9079   34.400   8.9076   9.5816   3.4407   16.404   2.3681 -6.822536 4.176932 
1 1 1   32    5    3 o   19.992   2.7513   52.100   12.644   0.0000   0.0000   52.100   12.644  ?   ?    19.992   2.7513 0.000000 2.751250 
1 1 1   32    5    4 o   5.7278   2.0766   3.5000   3.6199   0.0000   0.0000   3.5000   3.6199  ?   ?    5.7278   2.0766 0.000000 2.076611 
1 1 1   32    5    5 o   21.683   2.8487   61.800   14.233   0.0000   0.0000   61.800   14.233  ?   ?    21.683   2.8487 0.000000 2.848706 
1 1 1   32    5    6 o   17.443   2.6922   39.900   10.732   0.0000   0.0000   39.900   10.732  ?   ?    17.443   2.6922 0.000000 2.692248 
1 1 1   32    5    7 o   5.0750   1.9491   2.3000   3.2815   0.0000   0.0000   2.3000   3.2815  ?   ?    5.0750   1.9491 0.000000 1.949091 
1 1 1   32    5    8 o   11.884   2.6564   18.900   7.2671   0.0000   0.0000   18.900   7.2671  ?   ?    11.884   2.6564 0.000000 2.656377 
1 1 1   32    5    9 o   15.334   2.6214   31.100   9.1505   0.0000   0.0000   31.100   9.1505  ?   ?    15.334   2.6214 0.000000 2.621377 
1 1 1   32    5   10 o  ?   ?   -2.7000   0.6892   0.0000   0.0000  -2.7000   0.6892  ?   ?   ?   ?  0.000000      ? 
1 1 1   32    5   11 f   9.9553   2.5696   13.400   6.0817   0.0000   0.0000   13.400   6.0817  ?   ?    9.9553   2.5696 0.000000 2.569595 
1 1 1   32    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    5   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6    0 o   33.418   3.5704  145.800   27.364  145.800   27.364  145.800   27.364   33.418   3.5704   33.418   3.5704 0.000000 0.000000 
1 1 1   32    6    1 o   27.930   2.1450   97.657   14.039   89.400   19.803  106.000   19.905   25.721   3.3393   28.343   3.0207 -2.621445 4.502853 
1 1 1   32    6    2 o   10.798   1.7312   14.581   4.2653   18.700   6.5827   11.600   5.5999   11.991   2.4084   9.3964   2.4855 2.595096 3.460927 
1 1 1   32    6    3 o   20.151   2.7898   53.200   12.919   0.0000   0.0000   53.200   12.919  ?   ?    20.151   2.7898 0.000000 2.789789 
1 1 1   32    6    4 o   13.193   2.6035   22.900   7.8228   0.0000   0.0000   22.900   7.8228  ?   ?    13.193   2.6035 0.000000 2.603537 
1 1 1   32    6    5 o   16.177   2.6854   34.400   9.8985   0.0000   0.0000   34.400   9.8985  ?   ?    16.177   2.6854 0.000000 2.685437 
1 1 1   32    6    6 o   7.6405   2.3175   7.5000   4.5457   0.0000   0.0000   7.5000   4.5457  ?   ?    7.6405   2.3175 0.000000 2.317537 
1 1 1   32    6    7 o   11.451   2.6863   17.600   7.1383   0.0000   0.0000   17.600   7.1383  ?   ?    11.451   2.6863 0.000000 2.686281 
1 1 1   32    6    8 o   17.912   2.7820   42.700   11.385   0.0000   0.0000   42.700   11.385  ?   ?    17.912   2.7820 0.000000 2.782003 
1 1 1   32    6    9 f   13.827   2.5526   25.300   8.0270   0.0000   0.0000   25.300   8.0270  ?   ?    13.827   2.5526 0.000000 2.552583 
1 1 1   32    6   10 f   15.022   2.6721   30.200   9.1311   0.0000   0.0000   30.200   9.1311  ?   ?    15.022   2.6721 0.000000 2.672123 
1 1 1   32    6   11 o   8.4728   2.5733   9.6000   5.6017   0.0000   0.0000   9.6000   5.6017  ?   ?    8.4728   2.5733 0.000000 2.573275 
1 1 1   32    6   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    6   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7    0 o   10.380   3.2033   16.500   6.8709   16.500   6.8709   16.500   6.8709   10.380   3.2033   10.380   3.2033 0.000000 0.000000 
1 1 1   32    7    1 o   28.880   2.2721  105.348   15.370   99.900   22.045  110.500   21.440   26.914   3.5558   28.676   3.2220 -1.761877 4.798433 
1 1 1   32    7    2 o   11.354   1.8661   16.246   4.8292   16.800   7.2345   15.800   6.4858   11.199   2.7547   10.930   2.5583 0.2695189 3.759405 
1 1 1   32    7    3 o   19.668   2.7931   50.900   12.608   0.0000   0.0000   50.900   12.608  ?   ?    19.668   2.7931 0.000000 2.793102 
1 1 1   32    7    4 o   16.422   2.6589   35.400   9.9580   0.0000   0.0000   35.400   9.9580  ?   ?    16.422   2.6589 0.000000 2.658858 
1 1 1   32    7    5 o   29.333   3.3941  118.100   23.076   0.0000   0.0000  118.100   23.076  ?   ?    29.333   3.3941 0.000000 3.394142 
1 1 1   32    7    6 o   17.063   2.7092   38.500   10.551   0.0000   0.0000   38.500   10.551  ?   ?    17.063   2.7092 0.000000 2.709199 
1 1 1   32    7    7 o   9.8604   2.5637   13.000   6.0250   0.0000   0.0000   13.000   6.0250  ?   ?    9.8604   2.5637 0.000000 2.563725 
1 1 1   32    7    8 o   21.507   2.9060   62.000   14.380   0.0000   0.0000   62.000   14.380  ?   ?    21.507   2.9060 0.000000 2.905954 
1 1 1   32    7    9 o   2.6251   1.2102  -1.3000   1.7409   0.0000   0.0000  -1.3000   1.7409  ?   ?    2.6251   1.2102 0.000000 1.210158 
1 1 1   32    7   10 o   8.7311   2.4607   10.200   5.2912   0.0000   0.0000   10.200   5.2912  ?   ?    8.7311   2.4607 0.000000 2.460718 
1 1 1   32    7   11 o   15.468   2.8326   32.700   9.9653   0.0000   0.0000   32.700   9.9653  ?   ?    15.468   2.8326 0.000000 2.832628 
1 1 1   32    7   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    7   21 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8    0 o   31.602   3.6866  132.400   26.533  132.400   26.533  132.400   26.533   31.602   3.6866   31.602   3.6866 0.000000 0.000000 
1 1 1   32    8    1 o   9.0363   2.2583   10.663   4.8053   1.4000   8.0962   15.700   5.9707   6.7224   2.8738   10.950   2.3773 -4.227781 3.729650 
1 1 1   32    8    2 o   26.827   2.1298   90.525   13.381   93.800   19.311   87.500   18.558   26.381   3.1630   25.484   3.1511 0.8966770 4.464711 
1 1 1   32    8    3 o   31.755   3.5918  140.500   26.459   0.0000   0.0000  140.500   26.459  ?   ?    31.755   3.5918 0.000000 3.591779 
1 1 1   32    8    4 o   10.122   2.4983   13.600   5.9348   0.0000   0.0000   13.600   5.9348  ?   ?    10.122   2.4983 0.000000 2.498271 
1 1 1   32    8    5 o   22.076   2.9231   65.100   14.863   0.0000   0.0000   65.100   14.863  ?   ?    22.076   2.9231 0.000000 2.923130 
1 1 1   32    8    6 o   6.9750   2.3331   6.0000   4.5182   0.0000   0.0000   6.0000   4.5182  ?   ?    6.9750   2.3331 0.000000 2.333113 
1 1 1   32    8    7 o   8.6026   2.5370   9.8000   5.5056   0.0000   0.0000   9.8000   5.5056  ?   ?    8.6026   2.5370 0.000000 2.537032 
1 1 1   32    8    8 o  ?   ?   -4.8000   0.7035   0.0000   0.0000  -4.8000   0.7035  ?   ?   ?   ?  0.000000      ? 
1 1 1   32    8    9 o   21.077   2.9419   60.400   14.243   0.0000   0.0000   60.400   14.243  ?   ?    21.077   2.9419 0.000000 2.941883 
1 1 1   32    8   10 f  ?   ?   -6.8000   0.8328   0.0000   0.0000  -6.8000   0.8328  ?   ?   ?   ?  0.000000      ? 
1 1 1   32    8   11 o   16.717   2.9466   38.600   11.207   0.0000   0.0000   38.600   11.207  ?   ?    16.717   2.9466 0.000000 2.946568 
1 1 1   32    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    8   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9    0 o   5.9323   3.0303   6.5000   5.3585   6.5000   5.3585   6.5000   5.3585   5.9323   3.0303   5.9323   3.0303 0.000000 0.000000 
1 1 1   32    9    1 o   8.9030   1.8736   10.140   3.8142   14.200   6.2252   7.7000   4.8262   10.317   2.5660   7.7337   2.3958 2.582941 3.510598 
1 1 1   32    9    2 o   11.167   2.5588   16.600   6.6027   0.0000   0.0000   16.600   6.6027  ?   ?    11.167   2.5588 0.000000 2.558798 
1 1 1   32    9    3 o   10.821   2.5437   15.600   6.3902   0.0000   0.0000   15.600   6.3902  ?   ?    10.821   2.5437 0.000000 2.543688 
1 1 1   32    9    4 o   17.195   2.7208   39.200   10.680   0.0000   0.0000   39.200   10.680  ?   ?    17.195   2.7208 0.000000 2.720760 
1 1 1   32    9    5 o   14.960   2.6492   29.700   9.0162   0.0000   0.0000   29.700   9.0162  ?   ?    14.960   2.6492 0.000000 2.649189 
1 1 1   32    9    6 f   12.782   2.6034   21.800   7.5909   0.0000   0.0000   21.800   7.5909  ?   ?    12.782   2.6034 0.000000 2.603442 
1 1 1   32    9    7 o   24.540   3.1045   82.400   17.588   0.0000   0.0000   82.400   17.588  ?   ?    24.540   3.1045 0.000000 3.104475 
1 1 1   32    9    8 o   11.281   2.6614   17.300   6.9748   0.0000   0.0000   17.300   6.9748  ?   ?    11.281   2.6614 0.000000 2.661405 
1 1 1   32    9    9 o   16.195   2.6978   35.300   9.9540   0.0000   0.0000   35.300   9.9540  ?   ?    16.195   2.6978 0.000000 2.697769 
1 1 1   32    9   10 o   5.5361   1.9980   3.4000   3.3454   0.0000   0.0000   3.4000   3.3454  ?   ?    5.5361   1.9980 0.000000 1.997967 
1 1 1   32    9   11 o   3.8643   1.7431  -1.4000   3.3696   0.0000   0.0000  -1.4000   3.3696  ?   ?    3.8643   1.7431 0.000000 1.743141 
1 1 1   32    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32    9   20 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10    0 o   4.8497   2.6075   4.2000   4.1243   4.2000   4.1243   4.2000   4.1243   4.8497   2.6075   4.8497   2.6075 0.000000 0.000000 
1 1 1   32   10    1 o   10.652   2.0015   14.549   4.8496   5.8000   6.6024   24.800   7.1465   7.3367   2.7773   13.854   2.2626 -6.517632 3.582243 
1 1 1   32   10    2 o   1.8892   0.9192  -2.3000   1.3099   0.0000   0.0000  -2.3000   1.3099  ?   ?    1.8892   0.9192 0.000000 0.9192457 
1 1 1   32   10    3 o   24.012   3.0402   77.900   16.852   0.0000   0.0000   77.900   16.852  ?   ?    24.012   3.0402 0.000000 3.040196 
1 1 1   32   10    4 o   19.969   2.8290   53.300   12.967   0.0000   0.0000   53.300   12.967  ?   ?    19.969   2.8290 0.000000 2.829044 
1 1 1   32   10    5 o   5.9624   2.2012   3.8000   4.0945   0.0000   0.0000   3.8000   4.0945  ?   ?    5.9624   2.2012 0.000000 2.201231 
1 1 1   32   10    6 f   12.474   2.7061   21.100   7.7418   0.0000   0.0000   21.100   7.7418  ?   ?    12.474   2.7061 0.000000 2.706054 
1 1 1   32   10    7 o   12.792   2.5925   22.000   7.5632   0.0000   0.0000   22.000   7.5632  ?   ?    12.792   2.5925 0.000000 2.592536 
1 1 1   32   10    8 f   17.760   2.7939   42.700   11.330   0.0000   0.0000   42.700   11.330  ?   ?    17.760   2.7939 0.000000 2.793914 
1 1 1   32   10    9 o   19.124   2.8217   49.700   12.359   0.0000   0.0000   49.700   12.359  ?   ?    19.124   2.8217 0.000000 2.821708 
1 1 1   32   10   10 o   15.709   2.7666   33.700   9.8879   0.0000   0.0000   33.700   9.8879  ?   ?    15.709   2.7666 0.000000 2.766644 
1 1 1   32   10   11 o   9.1150   2.5010   11.300   5.5457   0.0000   0.0000   11.300   5.5457  ?   ?    9.1150   2.5010 0.000000 2.501005 
1 1 1   32   10   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   10   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11    0 o   6.5417   3.1163   7.9000   5.5027   7.9000   5.5027   7.9000   5.5027   6.5417   3.1163   6.5417   3.1163 0.000000 0.000000 
1 1 1   32   11    1 o   15.488   1.9154   30.274   6.8558   31.300   9.8216   29.300   9.5742   15.203   2.8402   14.682   2.8643 0.5208750 4.033790 
1 1 1   32   11    2 o   18.601   2.9799   47.100   12.647   0.0000   0.0000   47.100   12.647  ?   ?    18.601   2.9799 0.000000 2.979869 
1 1 1   32   11    3 o   15.284   2.7294   31.400   9.4890   0.0000   0.0000   31.400   9.4890  ?   ?    15.284   2.7294 0.000000 2.729383 
1 1 1   32   11    4 o   8.5353   2.4388   9.7000   5.1604   0.0000   0.0000   9.7000   5.1604  ?   ?    8.5353   2.4388 0.000000 2.438760 
1 1 1   32   11    5 f   13.032   2.5406   22.700   7.5376   0.0000   0.0000   22.700   7.5376  ?   ?    13.032   2.5406 0.000000 2.540647 
1 1 1   32   11    6 o   20.598   2.9055   57.700   13.740   0.0000   0.0000   57.700   13.740  ?   ?    20.598   2.9055 0.000000 2.905514 
1 1 1   32   11    7 o   27.259   3.3364  104.900   21.027   0.0000   0.0000  104.900   21.027  ?   ?    27.259   3.3364 0.000000 3.336421 
1 1 1   32   11    8 o   18.814   2.8537   48.300   12.280   0.0000   0.0000   48.300   12.280  ?   ?    18.814   2.8537 0.000000 2.853668 
1 1 1   32   11    9 o   10.400   2.6646   14.900   6.5736   0.0000   0.0000   14.900   6.5736  ?   ?    10.400   2.6646 0.000000 2.664647 
1 1 1   32   11   10 o   5.3608   2.1782   2.0000   4.3155   0.0000   0.0000   2.0000   4.3155  ?   ?    5.3608   2.1782 0.000000 2.178232 
1 1 1   32   11   11 o   5.0935   2.0645   1.8000   3.8658   0.0000   0.0000   1.8000   3.8658  ?   ?    5.0935   2.0645 0.000000 2.064464 
1 1 1   32   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   11   19 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12    0 o   18.103   2.9642   44.000   11.651   44.000   11.651   44.000   11.651   18.103   2.9642   18.103   2.9642 0.000000 0.000000 
1 1 1   32   12    1 o   7.1950   2.1477   6.7028   3.9269   8.4000   4.8572   3.5000   6.6724   7.9825   2.3899   6.6627   2.7080 1.319784 3.611778 
1 1 1   32   12    2 o   5.6030   2.4665  -0.5000   6.3308   0.0000   0.0000  -0.5000   6.3308  ?   ?    5.6030   2.4665 0.000000 2.466506 
1 1 1   32   12    3 o   9.9049   2.7911   13.500   6.8078   0.0000   0.0000   13.500   6.8078  ?   ?    9.9049   2.7911 0.000000 2.791080 
1 1 1   32   12    4 o   16.191   2.7058   35.300   9.9800   0.0000   0.0000   35.300   9.9800  ?   ?    16.191   2.7058 0.000000 2.705827 
1 1 1   32   12    5 o   8.5045   2.5157   9.7000   5.4063   0.0000   0.0000   9.7000   5.4063  ?   ?    8.5045   2.5157 0.000000 2.515729 
1 1 1   32   12    6 o   19.371   2.8722   51.200   12.740   0.0000   0.0000   51.200   12.740  ?   ?    19.371   2.8722 0.000000 2.872220 
1 1 1   32   12    7 o   6.5464   2.2742   5.2000   4.3009   0.0000   0.0000   5.2000   4.3009  ?   ?    6.5464   2.2742 0.000000 2.274235 
1 1 1   32   12    8 f   13.217   2.6989   23.900   8.1386   0.0000   0.0000   23.900   8.1386  ?   ?    13.217   2.6989 0.000000 2.698870 
1 1 1   32   12    9 o   8.0246   2.4879   8.6000   5.2031   0.0000   0.0000   8.6000   5.2031  ?   ?    8.0246   2.4879 0.000000 2.487900 
1 1 1   32   12   10 o   9.6948   2.6495   13.000   6.2383   0.0000   0.0000   13.000   6.2383  ?   ?    9.6948   2.6495 0.000000 2.649478 
1 1 1   32   12   11 o   7.9983   2.5501   8.6000   5.4296   0.0000   0.0000   8.6000   5.4296  ?   ?    7.9983   2.5501 0.000000 2.550108 
1 1 1   32   12   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   12   18 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13    0 o   5.9755   2.8878   6.6000   4.7426   6.6000   4.7426   6.6000   4.7426   5.9755   2.8878   5.9755   2.8878 0.000000 0.000000 
1 1 1   32   13    1 o   10.226   2.6457   14.300   6.4373   0.0000   0.0000   14.300   6.4373  ?   ?    10.226   2.6457 0.000000 2.645672 
1 1 1   32   13    2 o   11.920   2.6792   19.400   7.3576   0.0000   0.0000   19.400   7.3576  ?   ?    11.920   2.6792 0.000000 2.679208 
1 1 1   32   13    3 o   7.3761   2.4178   7.0000   4.8601   0.0000   0.0000   7.0000   4.8601  ?   ?    7.3761   2.4178 0.000000 2.417818 
1 1 1   32   13    4 o  ?   ?   -8.7000   1.1056   0.0000   0.0000  -8.7000   1.1056  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   13    5 o   4.8055   1.9362   1.6000   3.3783   0.0000   0.0000   1.6000   3.3783  ?   ?    4.8055   1.9362 0.000000 1.936159 
1 1 1   32   13    6 o   21.056   2.9409   61.000   14.223   0.0000   0.0000   61.000   14.223  ?   ?    21.056   2.9409 0.000000 2.940904 
1 1 1   32   13    7 o   5.9765   2.2393   3.8000   4.2683   0.0000   0.0000   3.8000   4.2683  ?   ?    5.9765   2.2393 0.000000 2.239290 
1 1 1   32   13    8 o   9.8011   2.5030   13.100   5.8133   0.0000   0.0000   13.100   5.8133  ?   ?    9.8011   2.5030 0.000000 2.502983 
1 1 1   32   13    9 o   15.032   2.8155   31.300   9.6268   0.0000   0.0000   31.300   9.6268  ?   ?    15.032   2.8155 0.000000 2.815490 
1 1 1   32   13   10 o   12.582   2.6896   21.900   7.7486   0.0000   0.0000   21.900   7.7486  ?   ?    12.582   2.6896 0.000000 2.689563 
1 1 1   32   13   11 o   11.671   2.8573   19.300   7.8110   0.0000   0.0000   19.300   7.8110  ?   ?    11.671   2.8573 0.000000 2.857265 
1 1 1   32   13   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   13   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14    1 o   14.264   2.7417   27.800   8.8995   0.0000   0.0000   27.800   8.8995  ?   ?    14.264   2.7417 0.000000 2.741713 
1 1 1   32   14    2 o   11.875   3.0243   20.000   8.5037   0.0000   0.0000   20.000   8.5037  ?   ?    11.875   3.0243 0.000000 3.024293 
1 1 1   32   14    3 f   20.734   3.0280   59.600   14.388   0.0000   0.0000   59.600   14.388  ?   ?    20.734   3.0280 0.000000 3.027961 
1 1 1   32   14    4 o   6.9851   2.3929   6.1000   4.7538   0.0000   0.0000   6.1000   4.7538  ?   ?    6.9851   2.3929 0.000000 2.392909 
1 1 1   32   14    5 o   16.695   2.7550   38.000   10.482   0.0000   0.0000   38.000   10.482  ?   ?    16.695   2.7550 0.000000 2.755017 
1 1 1   32   14    6 o   13.121   2.6405   23.500   7.8980   0.0000   0.0000   23.500   7.8980  ?   ?    13.121   2.6405 0.000000 2.640472 
1 1 1   32   14    7 o   5.3556   2.0688   2.7000   3.7128   0.0000   0.0000   2.7000   3.7128  ?   ?    5.3556   2.0688 0.000000 2.068820 
1 1 1   32   14    8 o   27.049   3.4419  106.700   21.486   0.0000   0.0000  106.700   21.486  ?   ?    27.049   3.4419 0.000000 3.441868 
1 1 1   32   14    9 o   12.208   2.7993   20.900   7.8979   0.0000   0.0000   20.900   7.8979  ?   ?    12.208   2.7993 0.000000 2.799335 
1 1 1   32   14   10 o   7.0612   2.3866   6.4000   4.7280   0.0000   0.0000   6.4000   4.7280  ?   ?    7.0612   2.3866 0.000000 2.386560 
1 1 1   32   14   11 o   9.4369   2.7010   12.500   6.3243   0.0000   0.0000   12.500   6.3243  ?   ?    9.4369   2.7010 0.000000 2.700980 
1 1 1   32   14   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   14   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15    2 f   10.618   2.6894   15.600   6.7503   0.0000   0.0000   15.600   6.7503  ?   ?    10.618   2.6894 0.000000 2.689384 
1 1 1   32   15    3 o   15.749   2.8249   34.200   10.119   0.0000   0.0000   34.200   10.119  ?   ?    15.749   2.8249 0.000000 2.824856 
1 1 1   32   15    4 o   18.293   2.8252   46.000   11.811   0.0000   0.0000   46.000   11.811  ?   ?    18.293   2.8252 0.000000 2.825224 
1 1 1   32   15    5 o   10.905   2.6790   16.500   6.8489   0.0000   0.0000   16.500   6.8489  ?   ?    10.905   2.6790 0.000000 2.679031 
1 1 1   32   15    6 o   5.6047   2.2659   2.4000   4.6440   0.0000   0.0000   2.4000   4.6440  ?   ?    5.6047   2.2659 0.000000 2.265867 
1 1 1   32   15    7 o   9.7347   2.5930   13.100   6.0674   0.0000   0.0000   13.100   6.0674  ?   ?    9.7347   2.5930 0.000000 2.592995 
1 1 1   32   15    8 o   9.8615   2.7821   13.700   6.7599   0.0000   0.0000   13.700   6.7599  ?   ?    9.8615   2.7821 0.000000 2.782084 
1 1 1   32   15    9 o   8.2576   2.6678   9.3000   5.9272   0.0000   0.0000   9.3000   5.9272  ?   ?    8.2576   2.6678 0.000000 2.667758 
1 1 1   32   15   10 o   13.205   2.8702   24.700   8.6941   0.0000   0.0000   24.700   8.6941  ?   ?    13.205   2.8702 0.000000 2.870225 
1 1 1   32   15   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   15   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16    2 o   10.406   2.7112   15.100   6.7293   0.0000   0.0000   15.100   6.7293  ?   ?    10.406   2.7112 0.000000 2.711244 
1 1 1   32   16    3 o   1.7119   0.8483  -3.0000   1.2903   0.0000   0.0000  -3.0000   1.2903  ?   ?    1.7119   0.8483 0.000000 0.8483157 
1 1 1   32   16    4 o   2.3900   1.1306  -1.9000   1.6892   0.0000   0.0000  -1.9000   1.6892  ?   ?    2.3900   1.1306 0.000000 1.130646 
1 1 1   32   16    5 o   22.235   3.0705   69.700   15.692   0.0000   0.0000   69.700   15.692  ?   ?    22.235   3.0705 0.000000 3.070479 
1 1 1   32   16    6 o   6.0454   2.2300   4.1000   4.2005   0.0000   0.0000   4.1000   4.2005  ?   ?    6.0454   2.2300 0.000000 2.230020 
1 1 1   32   16    7 o  ?   ?  -15.5000   1.3496   0.0000   0.0000 -15.5000   1.3496  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   16    8 o   6.7440   2.3917   5.6000   4.7731   0.0000   0.0000   5.6000   4.7731  ?   ?    6.7440   2.3917 0.000000 2.391705 
1 1 1   32   16    9 o   7.6696   2.5702   7.8000   5.4830   0.0000   0.0000   7.8000   5.4830  ?   ?    7.6696   2.5702 0.000000 2.570169 
1 1 1   32   16   10 o   8.7771   2.6966   10.700   6.1286   0.0000   0.0000   10.700   6.1286  ?   ?    8.7771   2.6966 0.000000 2.696637 
1 1 1   32   16   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   16   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17    3 o   10.892   2.7076   16.600   6.9341   0.0000   0.0000   16.600   6.9341  ?   ?    10.892   2.7076 0.000000 2.707617 
1 1 1   32   17    4 o   14.992   2.7096   31.000   9.2391   0.0000   0.0000   31.000   9.2391  ?   ?    14.992   2.7096 0.000000 2.709603 
1 1 1   32   17    5 o  ?   ?   -6.8000   1.0625   0.0000   0.0000  -6.8000   1.0625  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   17    6 o   6.8747   2.3483   6.0000   4.5780   0.0000   0.0000   6.0000   4.5780  ?   ?    6.8747   2.3483 0.000000 2.348268 
1 1 1   32   17    7 o   11.617   2.9160   19.300   7.9873   0.0000   0.0000   19.300   7.9873  ?   ?    11.617   2.9160 0.000000 2.916037 
1 1 1   32   17    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17   10 o   7.3896   2.4517   7.2000   4.9918   0.0000   0.0000   7.2000   4.9918  ?   ?    7.3896   2.4517 0.000000 2.451723 
1 1 1   32   17   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   17   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    3 f   7.5647   2.7009   7.3000   6.0969   0.0000   0.0000   7.3000   6.0969  ?   ?    7.5647   2.7009 0.000000 2.700921 
1 1 1   32   18    4 o   10.963   2.6420   16.700   6.7589   0.0000   0.0000   16.700   6.7589  ?   ?    10.963   2.6420 0.000000 2.641953 
1 1 1   32   18    5 o  ?   ?   -8.1000   0.9620   0.0000   0.0000  -8.1000   0.9620  ?   ?   ?   ?  0.000000      ? 
1 1 1   32   18    6 o   12.594   2.8922   22.500   8.4198   0.0000   0.0000   22.500   8.4198  ?   ?    12.594   2.8922 0.000000 2.892249 
1 1 1   32   18    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   18   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    5 o   8.7814   2.5905   10.700   5.7395   0.0000   0.0000   10.700   5.7395  ?   ?    8.7814   2.5905 0.000000 2.590540 
1 1 1   32   19    6 o   6.3715   2.4776   4.2000   5.3521   0.0000   0.0000   4.2000   5.3521  ?   ?    6.3715   2.4776 0.000000 2.477562 
1 1 1   32   19    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   19    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   32   20    5 o   9.4536   2.7773   12.700   6.6090   0.0000   0.0000   12.700   6.6090  ?   ?    9.4536   2.7773 0.000000 2.777304 
1 1 1   32   20    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0    1 o   4.9318   2.6671   4.4000   4.3386   4.4000   4.3386   4.4000   4.3386   4.9318   2.6671   4.9318   2.6671 0.000000 0.000000 
1 1 1   33    0    2 o   4.4127   2.6892   2.5000   5.2774   2.5000   5.2774   2.5000   5.2774   4.4127   2.6892   4.4127   2.6892 0.000000 0.000000 
1 1 1   33    0    3 o   7.1964   3.4293   9.8000   6.6642   9.8000   6.6642   9.8000   6.6642   7.1964   3.4293   7.1964   3.4293 0.000000 0.000000 
1 1 1   33    0    4 o   14.196   3.1744   28.700   9.2929   28.700   9.2929   28.700   9.2929   14.196   3.1744   14.196   3.1744 0.000000 0.000000 
1 1 1   33    0    5 o   3.8260   2.2949   2.0000   3.7189   2.0000   3.7189   2.0000   3.7189   3.8260   2.2949   3.8260   2.2949 0.000000 0.000000 
1 1 1   33    0    6 o   17.318   3.3086   41.900   12.098   41.900   12.098   41.900   12.098   17.318   3.3086   17.318   3.3086 0.000000 0.000000 
1 1 1   33    0    7 o   5.1187   2.9026   4.6000   5.4267   4.6000   5.4267   4.6000   5.4267   5.1187   2.9026   5.1187   2.9026 0.000000 0.000000 
1 1 1   33    0    8 o   30.177   3.5792  124.100   24.560  124.100   24.560  124.100   24.560   30.177   3.5792   30.177   3.5792 0.000000 0.000000 
1 1 1   33    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    0   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1    1 o   15.614   2.7290   33.100   9.6957   0.0000   0.0000   33.100   9.6957  ?   ?    15.614   2.7290 0.000000 2.728972 
1 1 1   33    1    2 o   10.395   2.5506   14.700   6.2135   0.0000   0.0000   14.700   6.2135  ?   ?    10.395   2.5506 0.000000 2.550579 
1 1 1   33    1    3 o   9.4357   2.6391   12.200   6.1103   0.0000   0.0000   12.200   6.1103  ?   ?    9.4357   2.6391 0.000000 2.639097 
1 1 1   33    1    4 o   12.530   2.6360   21.400   7.5519   0.0000   0.0000   21.400   7.5519  ?   ?    12.530   2.6360 0.000000 2.635951 
1 1 1   33    1    5 o   2.3814   1.1293  -2.0000   1.7054   0.0000   0.0000  -2.0000   1.7054  ?   ?    2.3814   1.1293 0.000000 1.129325 
1 1 1   33    1    6 o   28.392   3.4959  117.100   22.942   0.0000   0.0000  117.100   22.942  ?   ?    28.392   3.4959 0.000000 3.495910 
1 1 1   33    1    7 o   22.029   3.0076   67.500   15.237   0.0000   0.0000   67.500   15.237  ?   ?    22.029   3.0076 0.000000 3.007609 
1 1 1   33    1    8 o   10.246   2.5466   14.400   6.1345   0.0000   0.0000   14.400   6.1345  ?   ?    10.246   2.5466 0.000000 2.546575 
1 1 1   33    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    1   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2    1 o   9.7118   2.8363   13.100   6.9111   0.0000   0.0000   13.100   6.9111  ?   ?    9.7118   2.8363 0.000000 2.836345 
1 1 1   33    2    2 o   12.784   2.6264   22.200   7.6635   0.0000   0.0000   22.200   7.6635  ?   ?    12.784   2.6264 0.000000 2.626447 
1 1 1   33    2    3 o   15.613   2.6770   33.000   9.5140   0.0000   0.0000   33.000   9.5140  ?   ?    15.613   2.6770 0.000000 2.676963 
1 1 1   33    2    4 o   12.037   2.5827   19.700   7.1212   0.0000   0.0000   19.700   7.1212  ?   ?    12.037   2.5827 0.000000 2.582698 
1 1 1   33    2    5 o   15.501   2.7309   32.800   9.6306   0.0000   0.0000   32.800   9.6306  ?   ?    15.501   2.7309 0.000000 2.730881 
1 1 1   33    2    6 o   9.6659   2.4685   12.700   5.6542   0.0000   0.0000   12.700   5.6542  ?   ?    9.6659   2.4685 0.000000 2.468489 
1 1 1   33    2    7 o   4.2123   1.8116   0.1000   3.2518   0.0000   0.0000   0.1000   3.2518  ?   ?    4.2123   1.8116 0.000000 1.811569 
1 1 1   33    2    8 o   14.278   2.6713   27.900   8.6757   0.0000   0.0000   27.900   8.6757  ?   ?    14.278   2.6713 0.000000 2.671343 
1 1 1   33    2    9 o   24.391   3.4370   87.100   19.247   0.0000   0.0000   87.100   19.247  ?   ?    24.391   3.4370 0.000000 3.437048 
1 1 1   33    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    2   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3    1 o  ?   ?  -10.4000   1.8961   0.0000   0.0000 -10.4000   1.8961  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    3    2 o   28.689   3.5582  119.600   23.588   0.0000   0.0000  119.600   23.588  ?   ?    28.689   3.5582 0.000000 3.558244 
1 1 1   33    3    3 o   17.129   2.7493   39.900   10.744   0.0000   0.0000   39.900   10.744  ?   ?    17.129   2.7493 0.000000 2.749260 
1 1 1   33    3    4 o   11.960   2.7024   19.700   7.4522   0.0000   0.0000   19.700   7.4522  ?   ?    11.960   2.7024 0.000000 2.702373 
1 1 1   33    3    5 o   10.837   2.6646   16.200   6.7713   0.0000   0.0000   16.200   6.7713  ?   ?    10.837   2.6646 0.000000 2.664619 
1 1 1   33    3    6 o   8.4709   2.4806   9.7000   5.2799   0.0000   0.0000   9.7000   5.2799  ?   ?    8.4709   2.4806 0.000000 2.480605 
1 1 1   33    3    7 o   10.252   2.5456   14.400   6.1345   0.0000   0.0000   14.400   6.1345  ?   ?    10.252   2.5456 0.000000 2.545641 
1 1 1   33    3    8 o  ?   ?   -7.7000   0.7897   0.0000   0.0000  -7.7000   0.7897  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    3    9 o   6.9831   2.4997   6.0000   5.2257   0.0000   0.0000   6.0000   5.2257  ?   ?    6.9831   2.4997 0.000000 2.499732 
1 1 1   33    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    3   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4    1 o   4.0936   1.9068  -3.5000   4.4959   0.0000   0.0000  -3.5000   4.4959  ?   ?    4.0936   1.9068 0.000000 1.906838 
1 1 1   33    4    2 o   13.841   2.7147   26.200   8.5559   0.0000   0.0000   26.200   8.5559  ?   ?    13.841   2.7147 0.000000 2.714749 
1 1 1   33    4    3 o   12.686   2.7484   22.200   7.9953   0.0000   0.0000   22.200   7.9953  ?   ?    12.686   2.7484 0.000000 2.748372 
1 1 1   33    4    4 o   14.068   2.6803   27.000   8.5792   0.0000   0.0000   27.000   8.5792  ?   ?    14.068   2.6803 0.000000 2.680344 
1 1 1   33    4    5 o   15.564   2.7694   33.200   9.8050   0.0000   0.0000   33.200   9.8050  ?   ?    15.564   2.7694 0.000000 2.769438 
1 1 1   33    4    6 o   7.6926   2.4942   7.8000   5.1775   0.0000   0.0000   7.8000   5.1775  ?   ?    7.6926   2.4942 0.000000 2.494184 
1 1 1   33    4    7 o   7.5302   2.3097   7.5000   4.4983   0.0000   0.0000   7.5000   4.4983  ?   ?    7.5302   2.3097 0.000000 2.309739 
1 1 1   33    4    8 o   21.684   3.0422   66.100   15.149   0.0000   0.0000   66.100   15.149  ?   ?    21.684   3.0422 0.000000 3.042158 
1 1 1   33    4    9 o   9.6800   2.7749   13.200   6.6705   0.0000   0.0000   13.200   6.6705  ?   ?    9.6800   2.7749 0.000000 2.774933 
1 1 1   33    4   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    4   17 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5    1 o   6.1540   2.2392   4.3000   4.2146   0.0000   0.0000   4.3000   4.2146  ?   ?    6.1540   2.2392 0.000000 2.239235 
1 1 1   33    5    2 o   15.511   2.8791   33.300   10.157   0.0000   0.0000   33.300   10.157  ?   ?    15.511   2.8791 0.000000 2.879062 
1 1 1   33    5    3 o  ?   ?   -6.4000   1.0338   0.0000   0.0000  -6.4000   1.0338  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    5    4 o   12.828   2.7445   22.700   8.0620   0.0000   0.0000   22.700   8.0620  ?   ?    12.828   2.7445 0.000000 2.744455 
1 1 1   33    5    5 o   9.5494   2.6650   12.600   6.2381   0.0000   0.0000   12.600   6.2381  ?   ?    9.5494   2.6650 0.000000 2.664999 
1 1 1   33    5    6 f   6.3038   2.2855   4.6000   4.3848   0.0000   0.0000   4.6000   4.3848  ?   ?    6.3038   2.2855 0.000000 2.285489 
1 1 1   33    5    7 o   9.8420   2.5305   13.300   5.9137   0.0000   0.0000   13.300   5.9137  ?   ?    9.8420   2.5305 0.000000 2.530493 
1 1 1   33    5    8 o   16.057   2.9234   36.200   10.676   0.0000   0.0000   36.200   10.676  ?   ?    16.057   2.9234 0.000000 2.923368 
1 1 1   33    5    9 o   5.7481   2.3727   2.2000   5.2225   0.0000   0.0000   2.2000   5.2225  ?   ?    5.7481   2.3727 0.000000 2.372690 
1 1 1   33    5   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    5   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6    1 o   14.676   2.7082   29.400   9.0396   0.0000   0.0000   29.400   9.0396  ?   ?    14.676   2.7082 0.000000 2.708241 
1 1 1   33    6    2 o   5.5885   2.3617   1.3000   5.3598   0.0000   0.0000   1.3000   5.3598  ?   ?    5.5885   2.3617 0.000000 2.361660 
1 1 1   33    6    3 o   32.301   3.8983  158.100   29.133   0.0000   0.0000  158.100   29.133  ?   ?    32.301   3.8983 0.000000 3.898308 
1 1 1   33    6    4 o   5.2275   2.0465   2.4000   3.6709   0.0000   0.0000   2.4000   3.6709  ?   ?    5.2275   2.0465 0.000000 2.046529 
1 1 1   33    6    5 f   10.743   2.5506   15.800   6.3737   0.0000   0.0000   15.800   6.3737  ?   ?    10.743   2.5506 0.000000 2.550624 
1 1 1   33    6    6 o  ?   ?   -4.4000   0.7179   0.0000   0.0000  -4.4000   0.7179  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    6    7 o   7.6073   2.3701   7.7000   4.7156   0.0000   0.0000   7.7000   4.7156  ?   ?    7.6073   2.3701 0.000000 2.370124 
1 1 1   33    6    8 o   8.5004   2.5576   9.9000   5.5525   0.0000   0.0000   9.9000   5.5525  ?   ?    8.5004   2.5576 0.000000 2.557580 
1 1 1   33    6    9 o   7.3330   2.3345   7.1000   4.5515   0.0000   0.0000   7.1000   4.5515  ?   ?    7.3330   2.3345 0.000000 2.334474 
1 1 1   33    6   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    6   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7    1 o   5.0327   2.2587  -1.5000   5.5760   0.0000   0.0000  -1.5000   5.5760  ?   ?    5.0327   2.2587 0.000000 2.258703 
1 1 1   33    7    2 o   7.3787   2.6654   6.7000   5.9555   0.0000   0.0000   6.7000   5.9555  ?   ?    7.3787   2.6654 0.000000 2.665354 
1 1 1   33    7    3 o   6.1124   2.5283   2.5000   5.9474   0.0000   0.0000   2.5000   5.9474  ?   ?    6.1124   2.5283 0.000000 2.528255 
1 1 1   33    7    4 o   21.174   3.0087   62.600   14.620   0.0000   0.0000   62.600   14.620  ?   ?    21.174   3.0087 0.000000 3.008670 
1 1 1   33    7    5 o   4.9519   2.0303   1.5000   3.7916   0.0000   0.0000   1.5000   3.7916  ?   ?    4.9519   2.0303 0.000000 2.030257 
1 1 1   33    7    6 o   8.9734   2.4484   11.000   5.3323   0.0000   0.0000   11.000   5.3323  ?   ?    8.9734   2.4484 0.000000 2.448397 
1 1 1   33    7    7 o   8.3786   2.6400   9.6000   5.8324   0.0000   0.0000   9.6000   5.8324  ?   ?    8.3786   2.6400 0.000000 2.640023 
1 1 1   33    7    8 o   12.765   2.7668   22.800   8.0993   0.0000   0.0000   22.800   8.0993  ?   ?    12.765   2.7668 0.000000 2.766790 
1 1 1   33    7    9 o   2.4236   1.1724  -3.2000   2.0512   0.0000   0.0000  -3.2000   2.0512  ?   ?    2.4236   1.1724 0.000000 1.172441 
1 1 1   33    7   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    7   16 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8    2 o   6.8264   2.6847   4.7000   6.3423   0.0000   0.0000   4.7000   6.3423  ?   ?    6.8264   2.6847 0.000000 2.684691 
1 1 1   33    8    3 o   3.6970   1.7532  -4.4000   4.1105   0.0000   0.0000  -4.4000   4.1105  ?   ?    3.6970   1.7532 0.000000 1.753220 
1 1 1   33    8    4 o   9.3374   2.6508   12.100   6.1169   0.0000   0.0000   12.100   6.1169  ?   ?    9.3374   2.6508 0.000000 2.650756 
1 1 1   33    8    5 o   5.3215   2.1076   2.4000   3.9346   0.0000   0.0000   2.4000   3.9346  ?   ?    5.3215   2.1076 0.000000 2.107641 
1 1 1   33    8    6 o   11.343   2.6175   17.800   6.8684   0.0000   0.0000   17.800   6.8684  ?   ?    11.343   2.6175 0.000000 2.617452 
1 1 1   33    8    7 o   8.3016   2.5268   9.4000   5.3969   0.0000   0.0000   9.4000   5.3969  ?   ?    8.3016   2.5268 0.000000 2.526820 
1 1 1   33    8    8 o   7.3515   2.5318   7.0000   5.3246   0.0000   0.0000   7.0000   5.3246  ?   ?    7.3515   2.5318 0.000000 2.531792 
1 1 1   33    8    9 o  ?   ?  -16.0000   1.3066   0.0000   0.0000 -16.0000   1.3066  ?   ?   ?   ?  0.000000      ? 
1 1 1   33    8   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    8   15 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9    2 o   5.4199   2.3420   0.5000   5.4872   0.0000   0.0000   0.5000   5.4872  ?   ?    5.4199   2.3420 0.000000 2.342035 
1 1 1   33    9    3 o   14.454   3.0918   30.000   10.234   0.0000   0.0000   30.000   10.234  ?   ?    14.454   3.0918 0.000000 3.091825 
1 1 1   33    9    4 o   16.562   3.0562   39.000   11.512   0.0000   0.0000   39.000   11.512  ?   ?    16.562   3.0562 0.000000 3.056228 
1 1 1   33    9    5 o   19.372   2.8989   52.300   12.853   0.0000   0.0000   52.300   12.853  ?   ?    19.372   2.8989 0.000000 2.898877 
1 1 1   33    9    6 o   8.5447   2.5009  10.0000   5.3678   0.0000   0.0000  10.0000   5.3678  ?   ?    8.5447   2.5009 0.000000 2.500856 
1 1 1   33    9    7 o   15.044   2.9442   32.100   10.085   0.0000   0.0000   32.100   10.085  ?   ?    15.044   2.9442 0.000000 2.944241 
1 1 1   33    9    8 o   13.056   2.8647   24.200   8.5891   0.0000   0.0000   24.200   8.5891  ?   ?    13.056   2.8647 0.000000 2.864704 
1 1 1   33    9    9 o   5.8123   2.2822   3.2000   4.5764   0.0000   0.0000   3.2000   4.5764  ?   ?    5.8123   2.2822 0.000000 2.282225 
1 1 1   33    9   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33    9   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10    2 o   11.723   3.1393   20.100   8.8639   0.0000   0.0000   20.100   8.8639  ?   ?    11.723   3.1393 0.000000 3.139317 
1 1 1   33   10    3 o   2.9810   1.4836  -9.8000   4.1171   0.0000   0.0000  -9.8000   4.1171  ?   ?    2.9810   1.4836 0.000000 1.483580 
1 1 1   33   10    4 o   10.073   3.0583   14.700   7.9133   0.0000   0.0000   14.700   7.9133  ?   ?    10.073   3.0583 0.000000 3.058346 
1 1 1   33   10    5 o   9.8674   3.0559   14.100   7.8527   0.0000   0.0000   14.100   7.8527  ?   ?    9.8674   3.0559 0.000000 3.055925 
1 1 1   33   10    6 o   9.9922   2.5175   13.800   5.9373   0.0000   0.0000   13.800   5.9373  ?   ?    9.9922   2.5175 0.000000 2.517455 
1 1 1   33   10    7 o   12.152   2.8020   20.900   7.8758   0.0000   0.0000   20.900   7.8758  ?   ?    12.152   2.8020 0.000000 2.801973 
1 1 1   33   10    8 f   15.098   2.9094   32.300   9.9963   0.0000   0.0000   32.300   9.9963  ?   ?    15.098   2.9094 0.000000 2.909382 
1 1 1   33   10    9 o   10.807   2.7348   16.500   6.9848   0.0000   0.0000   16.500   6.9848  ?   ?    10.807   2.7348 0.000000 2.734766 
1 1 1   33   10   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   10   14 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11    3 o   6.3996   2.5709   3.7000   5.9375   0.0000   0.0000   3.7000   5.9375  ?   ?    6.3996   2.5709 0.000000 2.570877 
1 1 1   33   11    4 o   8.1997   2.8221   9.1000   6.6151   0.0000   0.0000   9.1000   6.6151  ?   ?    8.1997   2.8221 0.000000 2.822071 
1 1 1   33   11    5 o   12.355   3.0104   22.100   8.7020   0.0000   0.0000   22.100   8.7020  ?   ?    12.355   3.0104 0.000000 3.010405 
1 1 1   33   11    6 o   4.5284   1.9112   0.7000   3.5030   0.0000   0.0000   0.7000   3.5030  ?   ?    4.5284   1.9112 0.000000 1.911214 
1 1 1   33   11    7 o   13.282   2.6778   24.500   8.1083   0.0000   0.0000   24.500   8.1083  ?   ?    13.282   2.6778 0.000000 2.677773 
1 1 1   33   11    8 o   14.782   2.9247   31.000   9.8477   0.0000   0.0000   31.000   9.8477  ?   ?    14.782   2.9247 0.000000 2.924737 
1 1 1   33   11    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   11   13 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    3 o   3.5334   1.6410  -2.5000   3.2906   0.0000   0.0000  -2.5000   3.2906  ?   ?    3.5334   1.6410 0.000000 1.641038 
1 1 1   33   12    4 o   7.1955   2.7212   6.1000   6.3350   0.0000   0.0000   6.1000   6.3350  ?   ?    7.1955   2.7212 0.000000 2.721235 
1 1 1   33   12    5 o   13.348   3.1837   26.200   9.8942   0.0000   0.0000   26.200   9.8942  ?   ?    13.348   3.1837 0.000000 3.183717 
1 1 1   33   12    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12    8 o   11.743   2.6419   19.200   7.1483   0.0000   0.0000   19.200   7.1483  ?   ?    11.743   2.6419 0.000000 2.641869 
1 1 1   33   12    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12   11 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   12   12 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    4 o   5.3618   2.3121   0.6000   5.3258   0.0000   0.0000   0.6000   5.3258  ?   ?    5.3618   2.3121 0.000000 2.312143 
1 1 1   33   13    5 o   6.9080   2.6977   5.1000   6.3665   0.0000   0.0000   5.1000   6.3665  ?   ?    6.9080   2.6977 0.000000 2.697731 
1 1 1   33   13    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   13   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    4 o   10.720   2.9197   16.600   7.5909   0.0000   0.0000   16.600   7.5909  ?   ?    10.720   2.9197 0.000000 2.919703 
1 1 1   33   14    5 o   7.1400   2.8544   5.3000   7.2805   0.0000   0.0000   5.3000   7.2805  ?   ?    7.1400   2.8544 0.000000 2.854410 
1 1 1   33   14    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   14    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    4 f   8.6335   2.6218   10.400   5.8151   0.0000   0.0000   10.400   5.8151  ?   ?    8.6335   2.6218 0.000000 2.621792 
1 1 1   33   15    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   15    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   16    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   16    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   16    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   33   16    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    5 o   6.5653   3.2356   8.3000   5.9999   8.3000   5.9999   8.3000   5.9999   6.5653   3.2356   6.5653   3.2356 0.000000 0.000000 
1 1 1   34    0    6 o   7.6859   3.1605   10.500   5.6734   10.500   5.6734   10.500   5.6734   7.6859   3.1605   7.6859   3.1605 0.000000 0.000000 
1 1 1   34    0    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    0   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    5 o   5.0145   1.9502   2.3000   3.3168   0.0000   0.0000   2.3000   3.3168  ?   ?    5.0145   1.9502 0.000000 1.950248 
1 1 1   34    1    6 o   6.9396   2.5674   5.8000   5.5756   0.0000   0.0000   5.8000   5.5756  ?   ?    6.9396   2.5674 0.000000 2.567361 
1 1 1   34    1    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    1   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    4 o   14.590   2.8028   29.900   9.3058   0.0000   0.0000   29.900   9.3058  ?   ?    14.590   2.8028 0.000000 2.802839 
1 1 1   34    2    5 o   9.3507   2.5749   12.200   5.8659   0.0000   0.0000   12.200   5.8659  ?   ?    9.3507   2.5749 0.000000 2.574874 
1 1 1   34    2    6 o   9.5917   2.9375   13.300   7.2788   0.0000   0.0000   13.300   7.2788  ?   ?    9.5917   2.9375 0.000000 2.937468 
1 1 1   34    2    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    2   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    4 o   3.4125   1.5969  -2.8000   3.2119   0.0000   0.0000  -2.8000   3.2119  ?   ?    3.4125   1.5969 0.000000 1.596858 
1 1 1   34    3    5 o   14.661   2.7699   30.100   9.2380   0.0000   0.0000   30.100   9.2380  ?   ?    14.661   2.7699 0.000000 2.769910 
1 1 1   34    3    6 o   7.5695   2.7892   7.3000   6.5688   0.0000   0.0000   7.3000   6.5688  ?   ?    7.5695   2.7892 0.000000 2.789247 
1 1 1   34    3    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    3   10 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    4 o   10.931   3.0828   17.600   8.3015   0.0000   0.0000   17.600   8.3015  ?   ?    10.931   3.0828 0.000000 3.082777 
1 1 1   34    4    5 o   8.4425   2.8799   9.9000   6.8853   0.0000   0.0000   9.9000   6.8853  ?   ?    8.4425   2.8799 0.000000 2.879878 
1 1 1   34    4    6 o   17.896   2.9290   45.600   11.949   0.0000   0.0000   45.600   11.949  ?   ?    17.896   2.9290 0.000000 2.928951 
1 1 1   34    4    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    4    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    4 o   5.5655   2.4572  -0.2000   6.3279   0.0000   0.0000  -0.2000   6.3279  ?   ?    5.5655   2.4572 0.000000 2.457173 
1 1 1   34    5    5 o   14.443   3.2334   31.100   10.753   0.0000   0.0000   31.100   10.753  ?   ?    14.443   3.2334 0.000000 3.233365 
1 1 1   34    5    6 o   9.9780   2.8426   14.400   7.0216   0.0000   0.0000   14.400   7.0216  ?   ?    9.9780   2.8426 0.000000 2.842579 
1 1 1   34    5    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    5    9 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    6    8 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    7    7 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    5 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    8    6 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    9    0 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    9    1 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    9    2 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    9    3 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
1 1 1   34    9    4 x  ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?       ?      ? 
#END OF REFLECTIONS
